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All-Atom
Contacts		 Clashscore, all atoms:26.38 36th percentile* (N=350, 2.08Å - 2.58Å)
Clashscore is the number of serious steric overlaps (> 0.4 Å) per 1000 atoms.
Protein
Geometry		 Rotamer outliers4.65% Goal: <1%
Ramachandran outliers0.45% Goal: <0.2%
Ramachandran favored94.14% Goal: >98%
Cβ deviations >0.25Å0 Goal: 0
MolProbity score2.8137th percentile* (N=8627, 2.08Å - 2.58Å)
Residues with bad bonds:0.00% Goal: <5%
Residues with bad angles:0.88% Goal: <5%
* 100th percentile is the best among structures of comparable resolution; 0th percentile is the worst.

#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 77.64Clashscore: 26.38Outliers: 1 of 222Outliers: 10 of 215Outliers: 0 of 218Outliers: 0 of 226Outliers: 2 of 226
B 2 MET95.650.768Å
HG2 with B 3 GLU H 		-32% (ttm)
chi angles: 192.1,201.1,295.8		0.058Å--
B 3 GLU95.650.768Å
H with B 2 MET HG2 		Favored (48.05%)
General case / -135.1,139.4		42.8% (mt-10)
chi angles: 305.7,172.7,124		0.067Å--
B 4 GLN95.650.463Å
O with B 8 VAL HG23 		Favored (50.81%)
General case / -126.7,147.3		69.1% (mt-30)
chi angles: 284.2,175.6,49		0.041Å--
B 5 VAL95.23-Allowed (0.17%)
General case / -31.9,-69.7		1.2% (t)
chi angles: 209.9		0.101Å--
B 6 CYS94.450.405Å
HB3 with B 178 LEU C 		Favored (58.55%)
General case / -52.2,-39.0		18.1% (p)
chi angles: 71.4		0.029Å--
B 7 ASP95.650.673Å
HA with B 180 LYS HE2 		Favored (69.66%)
General case / -72.5,-33.5		9.1% (t70)
chi angles: 202,66.2		0.024Å--
B 8 VAL90.620.604Å
HG22 with B 76 LYS HE3 		Favored (12.82%)
General case / -80.3,-50.2		76.8% (t)
chi angles: 179.2		0.015Å--
B 9 PHE90.45-Favored (23.16%)
General case / -87.3,7.9		70.6% (m-85)
chi angles: 305.5,100		0.049Å--
B 10 ASP81.05-Favored (2.92%)
General case / 44.2,60.7		3.2% (m-20)
chi angles: 294.1,73.1		0.018Å--
B 11 ILE73.98-Favored (30.78%)
General case / -92.4,115.6		52.2% (mt)
chi angles: 305.9,178.6		0.03Å--
B 12 TYR69.050.735Å
CD1 with B 181 LYS HB2 		Favored (22.61%)
General case / -118.0,161.9		57.2% (m-85)
chi angles: 303.2,115.3		0.07Å--
B 13 ALA64.09-Favored (61.68%)
General case / -120.7,134.1		-0.04Å--
B 14 ILE58.090.436Å
O with B 14 ILE HG23 		Favored (52.63%)
General case / -129.5,126.3		19.9% (tt)
chi angles: 185.3,169.5		0.011Å--
B 15 CYS54.92-Favored (5.15%)
General case / -146.4,-177.4		31.8% (p)
chi angles: 64.3		0.046Å--
B 16 ALA54.98-Favored (13.63%)
General case / -143.9,124.7		-0.065Å--
B 17 CYS58.070.445Å
HA with B 39 GLY O 		Favored (47.58%)
General case / -131.9,127.8		56.3% (m)
chi angles: 306.2		0.01Å--
B 18 CYS56.530.481Å
HA with B 187 ILE HB 		Favored (3.91%)
General case / -96.5,-176.9		26.8% (p)
chi angles: 59.5		0.086Å--
B 19 LYS59.3-Favored (19.91%)
General case / -89.3,151.5		55.6% (mtmt)
chi angles: 295.9,187.5,288.8,190.9		0.033Å--
B 20 VAL70.56-Favored (60.54%)
General case / -107.7,128.1		44% (t)
chi angles: 184		0.024Å--
B 21 GLU84.530.545Å
HB3 with B 190 THR HG21 		Favored (47.8%)
General case / -71.9,135.8		5% (pt-20)
chi angles: 39.5,186.8,59		0.047Å--
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 77.64Clashscore: 26.38Outliers: 1 of 222Outliers: 10 of 215Outliers: 0 of 218Outliers: 0 of 226Outliers: 2 of 226
B 22 SER91.14-Favored (39.44%)
General case / -102.6,138.8		23.8% (m)
chi angles: 304.8		0.093Å--
B 23 LYS95.650.435Å
HD2 with B 23 LYS HA 		Favored (30.74%)
General case / -84.6,-23.0		5.8% (mmmt)
chi angles: 258.4,311.5,303.3,179.6		0.061Å--
B 24 ASN95.65-Favored (22.59%)
General case / -89.7,109.8		42.3% (t30)
chi angles: 178.9,62.3		0.022Å--
B 25 GLU95.650.458Å
O with B 26 GLY O 		Favored (7.15%)
General case / -82.3,88.9		15% (tt0)
chi angles: 182.4,207,131.8		0.097Å--
B 26 GLY95.650.458Å
O with B 25 GLU O 		OUTLIER (0%)
Glycine / -25.1,161.4		----
B 27 LYS95.65-Favored (3.06%)
General case / -94.8,28.6		0%
chi angles: 229.2,158.1,48.3,241.8		0.036Å--
B 28 LYS95.650.683Å
HG2 with B 29 ASN N 		Favored (3.46%)
General case / -173.4,175.5		30.5% (ttpt)
chi angles: 178.9,193.7,54.3,181.3		0.089Å--
B 29 ASN92.010.683Å
N with B 28 LYS HG2 		Favored (7.19%)
General case / -62.9,116.9		73.8% (m-20)
chi angles: 298,345.7		0.071Å--
B 30 GLU85.29-Favored (2.08%)
General case / -44.0,141.4		59.9% (tt0)
chi angles: 176.3,172.7,28.7		0.02Å--
B 31 VAL74.7-Favored (33.06%)
General case / -106.5,144.5		48.1% (t)
chi angles: 168.3		0.026Å--
B 32 PHE63.52-Favored (39.11%)
General case / -121.7,154.0		75.6% (m-85)
chi angles: 304.6,100.5		0.014Å--
B 33 ASN61.980.443Å
OD1 with B 35 TYR HB3 		Favored (7.96%)
General case / -163.0,177.4		17.5% (p30)
chi angles: 50.4,56.4		0.009Å--
B 34 ASN63.89-Favored (65.04%)
General case / -53.8,-37.6		95.4% (m-20)
chi angles: 292.1,331.6		0.019Å--
B 35 TYR70.30.443Å
HB3 with B 33 ASN OD1 		Favored (10.94%)
General case / -63.7,-7.2		14% (t80)
chi angles: 193.6,52.2		0.032Å--
B 36 THR55.93-Favored (69.61%)
General case / -67.3,-26.7		40% (m)
chi angles: 293.1		0.079Å--
B 37 PHE53.94-Favored (9.01%)
General case / -102.5,96.4		79.9% (m-85)
chi angles: 289.1,98.9		0.066Å--
B 38 ARG66.230.423Å
HD3 with B 35 TYR CZ 		Allowed (1.12%)
General case / -143.6,-0.0		20.7% (ptt-85)
chi angles: 51.4,171.5,196.6,277.6		0.027Å--
B 39 GLY59.670.445Å
O with B 17 CYS HA 		Favored (9.36%)
Glycine / -70.1,117.8		----
B 40 LEU60.15-Favored (6.36%)
General case / -103.3,-45.2		30.2% (mt)
chi angles: 279.9,173.6		0.05Å--
B 41 GLY62.760.603Å
HA2 with B 47 PRO HD3 		Favored (30.13%)
Glycine / -153.2,168.5		----
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 77.64Clashscore: 26.38Outliers: 1 of 222Outliers: 10 of 215Outliers: 0 of 218Outliers: 0 of 226Outliers: 2 of 226
B 42 ASN67.890.405Å
O with B 45 VAL HG23 		Favored (9.8%)
General case / -151.2,127.4		36.8% (t30)
chi angles: 188.3,68.1		0.064Å--
B 43 LYS73.59-Favored (14.42%)
General case / 50.8,37.6		45.2% (mttp)
chi angles: 287,171.7,175.8,47		0.032Å--
B 44 GLY71.47-Favored (85.12%)
Glycine / 76.7,14.8		----
B 45 VAL70.060.405Å
HG23 with B 42 ASN O 		Favored (7.95%)
General case / -142.3,178.2		0.5%
chi angles: 274.5		0.025Å--
B 46 LEU66.64-Favored (97.75%)
Pre-proline / -70.0,134.2		74% (mt)
chi angles: 300.9,171.9		0.037Å--
B 47 PRO61.550.603Å
HD3 with B 41 GLY HA2 		Favored (37.3%)
Proline / -54.1,-22.6		72.8% (Cg_exo)
chi angles: 332.4		0.029Å--
B 48 TRP61.750.642Å
O with B 49 LYS HB2 		Favored (19.95%)
General case / -112.5,11.5		35.1% (p90)
chi angles: 52.7,83.3		0.01Å--
B 49 LYS76.110.642Å
HB2 with B 48 TRP O 		Allowed (0.35%)
General case / 77.9,-64.3		1%
chi angles: 273.4,151.8,123.8,259		0.024Å--
B 50 CYS77.3-Favored (5.21%)
General case / -172.9,162.3		29.6% (p)
chi angles: 66		0.02Å--
B 51 ASN63.07-Favored (2.61%)
General case / -149.9,102.0		20.9% (t-20)
chi angles: 185.9,291.6		0.05Å--
B 52 SER57.13-Favored (49.59%)
General case / -50.5,-41.0		2.9% (p)
chi angles: 38.9		0.094Å--
B 53 LEU52.46-Favored (81.97%)
General case / -67.4,-44.6		17.1% (tp)
chi angles: 196.9,63.3		0.049Å--
B 54 ASP54.24-Favored (95.7%)
General case / -62.2,-40.1		17.5% (t70)
chi angles: 171.5,61.6		0.048Å--
B 55 MET70.15-Favored (88.3%)
General case / -60.9,-47.3		52.1% (tpp)
chi angles: 189.8,64.1,64.3		0.021Å--
B 56 LYS58.33-Favored (72.95%)
General case / -61.8,-31.0		78.4% (tttt)
chi angles: 170.9,172.5,176.2,168.3		0.037Å--
B 57 TYR52.62-Favored (63.84%)
General case / -73.7,-43.5		90.6% (t80)
chi angles: 177.9,81.3		0.041Å--
B 58 PHE58.96-Favored (21.93%)
General case / -55.6,-57.0		84.3% (t80)
chi angles: 175.6,73.7		0.044Å--
B 59 CYS69.280.586Å
O with B 63 THR HG23 		Favored (61.52%)
General case / -56.1,-53.5		2% (t)
chi angles: 161.3		0.03Å--
B 60 ALA62.19-Favored (35.56%)
General case / -49.7,-51.0		-0.026Å--
B 61 VAL62.2-Favored (61.88%)
General case / -65.8,-52.0		56.4% (t)
chi angles: 181.9		0.052Å--
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 77.64Clashscore: 26.38Outliers: 1 of 222Outliers: 10 of 215Outliers: 0 of 218Outliers: 0 of 226Outliers: 2 of 226
B 62 THR62.96-Favored (66.66%)
General case / -68.1,-19.3		58% (p)
chi angles: 62.5		0.053Å--
B 63 THR64.380.586Å
HG23 with B 59 CYS O 		Favored (23.54%)
General case / -103.5,-2.9		7.5% (p)
chi angles: 78.7		0.054Å--
B 64 TYR61.59-Favored (39.79%)
General case / -79.4,136.2		78.3% (t80)
chi angles: 172.7,74.6		0.056Å--
B 65 VAL66.04-Favored (34.16%)
General case / -142.1,139.9		40.6% (t)
chi angles: 166.6		0.031Å--
B 66 ASN76.44-Favored (4.94%)
General case / -116.0,94.5		52.2% (t-20)
chi angles: 191.9,337.3		0.097Å--
B 67 GLU90-Favored (77.03%)
General case / -61.6,-34.0		50.8% (mt-10)
chi angles: 298.8,191.9,128.7		0.069Å--
B 68 SER87.96-Favored (16.04%)
General case / -62.9,-9.6		69.9% (p)
chi angles: 57.6		0.018Å--
B 69 LYS94.44-Favored (11.23%)
General case / -121.4,11.3		16% (mmtt)
chi angles: 315.9,253,174.9,176.1		0.032Å--
B 70 TYR95.65-Favored (70.81%)
General case / -72.4,-34.6		28.3% (t80)
chi angles: 172.5,55.1		0.042Å--
B 71 GLU95.65-Favored (11.94%)
General case / -49.6,-56.5		69% (mm-40)
chi angles: 285,302.8,125		0.026Å--
B 72 LYS95.65-Favored (35.57%)
General case / -50.1,-38.2		23.4% (mmtp)
chi angles: 302.6,286.6,170.4,41.2		0.078Å--
B 73 LEU95.650.499Å
O with B 76 LYS HB3 		Favored (30.76%)
General case / -65.8,-54.8		78.5% (mt)
chi angles: 300,182.6		0.097Å--
B 74 LYS95.650.58Å
O with B 75 TYR C 		Favored (78.05%)
General case / -64.0,-48.9		21.1% (ttpt)
chi angles: 193,148.3,62.7,191.5		0.075Å--
B 75 TYR95.650.58Å
C with B 74 LYS O 		Favored (2.79%)
General case / -41.5,-56.8		11.2% (t80)
chi angles: 166.6,51.1		0.095Å--
B 76 LYS95.650.604Å
HE3 with B 8 VAL HG22 		Favored (18.82%)
General case / -49.1,-53.8		37.8% (tptt)
chi angles: 155.5,74.4,175.3,180.7		0.052Å--
B 77 ARG95.650.536Å
O with B 81 LEU HG 		Allowed (0.68%)
General case / -63.8,-67.9		95.7% (mtt180)
chi angles: 295.3,168.5,189.6,166.5		0.06Å--
B 78 CYS95.650.623Å
SG with B 85 THR HA 		Favored (8.1%)
General case / -43.6,-49.2		25% (m)
chi angles: 280.6		0.043Å--
B 79 LYS95.54-Favored (17.99%)
General case / -50.0,-54.9		0.4%
chi angles: 160.4,119.9,63.1,177.5		0.058Å--
B 80 TYR95.65-Favored (68.37%)
General case / -53.4,-42.4		84.8% (t80)
chi angles: 174.6,80.9		0.053Å--
B 81 LEU95.650.536Å
HG with B 77 ARG O 		Favored (22.25%)
General case / -72.6,-3.7		28.1% (mt)
chi angles: 311.5,173.4		0.039Å--
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 77.64Clashscore: 26.38Outliers: 1 of 222Outliers: 10 of 215Outliers: 0 of 218Outliers: 0 of 226Outliers: 2 of 226
B 82 ASN95.65-Allowed (1.25%)
General case / 67.2,-1.9		76.4% (m-20)
chi angles: 302.1,304.9		0.024Å--
B 83 LYS95.65-Favored (7.71%)
General case / -105.4,171.0		51.8% (pttt)
chi angles: 50.5,179.1,185.5,177.7		0.043Å--
B 84 GLU95.65-Favored (8.44%)
General case / -89.2,-50.4		58.7% (mm-40)
chi angles: 295.6,308.3,117		0.186Å--
B 85 THR95.650.623Å
HA with B 78 CYS SG 		Favored (29.34%)
General case / -158.5,160.3		6.5% (t)
chi angles: 194.9		0.084Å--
B 86 VAL95.650.647Å
HG21 with B 155 LYS C 		-14.1% (p)
chi angles: 64.7		0.055Å--
B 91 ASP95.650.51Å
C with B 93 PRO HD3 		-15.6% (m-20)
chi angles: 292.8,14		0.072Å--
B 92 MET95.650.689Å
HG2 with B 95 SER H 		Allowed (1.72%)
Pre-proline / -105.3,81.2		57.3% (ttp)
chi angles: 190.8,179,70.1		0.011Å--
B 93 PRO95.650.51Å
HD3 with B 91 ASP C 		Allowed (0.86%)
Proline / -72.5,98.0		46.5% (Cg_exo)
chi angles: 326.4		0.055Å-1 OUTLIER(S)
worst is C-N-CA: -5.223 σ
B 94 ASN95.650.523Å
O with B 95 SER HB2 		Favored (3.27%)
General case / 58.5,58.8		18.4% (m120)
chi angles: 302.1,140.1		0.103Å-1 OUTLIER(S)
worst is N-CA-C: 4.287 σ
B 95 SER95.650.689Å
H with B 92 MET HG2 		Favored (3.34%)
General case / 75.5,11.3		11.6% (t)
chi angles: 191.3		0.086Å--
B 96 LYS95.650.405Å
O with B 96 LYS CD 		Favored (9.36%)
General case / 64.7,20.1		0.1%
chi angles: 229.7,296.7,180.7,313.6		0.065Å--
B 97 LYS95.65-Allowed (1.2%)
General case / -169.6,129.1		58.5% (pttt)
chi angles: 72.6,170.1,174.8,178.6		0.042Å--
B 98 LEU84.760.707Å
HD12 with B 99 GLN H 		Favored (27.91%)
General case / -64.1,153.6		16.2% (tp)
chi angles: 183.8,47.6		0.03Å--
B 99 GLN77.870.707Å
H with B 98 LEU HD12 		Favored (8.38%)
General case / -154.0,179.3		27.5% (mt-30)
chi angles: 292.8,181.1,162.7		0.035Å--
B 100 ASN71.140.798Å
OD1 with B 159 TYR HB3 		Favored (12.79%)
General case / -109.9,164.8		75.7% (m-20)
chi angles: 300.9,302.4		0.101Å--
B 101 VAL70.18-Favored (54.64%)
General case / -107.0,135.1		46.1% (t)
chi angles: 168		0.059Å--
B 102 VAL71.780.463Å
HG23 with B 124 ASN HA 		Favored (9.5%)
General case / -119.2,100.9		2.9% (m)
chi angles: 281.5		0.024Å--
B 103 VAL74.720.422Å
HB with B 163 ILE HD13 		Favored (32.64%)
General case / -86.7,121.6		60.4% (t)
chi angles: 181.2		0.041Å--
B 104 MET78.7-Favored (32.94%)
General case / -135.3,165.6		9.1% (ptp)
chi angles: 68.4,188,98.5		0.042Å--
B 105 GLY84.33-Favored (44.18%)
Glycine / -89.4,170.3		----
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 77.64Clashscore: 26.38Outliers: 1 of 222Outliers: 10 of 215Outliers: 0 of 218Outliers: 0 of 226Outliers: 2 of 226
B 106 ARG93.260.527Å
HG2 with B 110 GLU OE2 		Favored (6.08%)
General case / -58.9,-60.8		52.7% (ttp85)
chi angles: 184.8,166.8,56.8,66.9		0.04Å--
B 107 THR89.61-Favored (64.87%)
General case / -52.8,-40.7		0.2%
chi angles: 336.5		0.035Å--
B 108 SER90.510.439Å
O with B 112 ILE HG13 		Favored (85.38%)
General case / -57.8,-45.1		73.1% (m)
chi angles: 293.8		0.055Å--
B 109 TRP92.940.632Å
CZ2 with B 117 LYS HG2 		Favored (83.85%)
General case / -60.4,-37.8		37.3% (t-105)
chi angles: 170.1,268.8		0.036Å--
B 110 GLU95.650.527Å
OE2 with B 106 ARG HG2 		Favored (92.02%)
General case / -66.1,-42.0		37.1% (mt-10)
chi angles: 289.8,161.9,43.4		0.017Å--
B 111 SER94.91-Favored (68.06%)
General case / -59.9,-27.5		92.2% (p)
chi angles: 63		0.017Å--
B 112 ILE95.650.439Å
HG13 with B 108 SER O 		Favored (92.55%)
Pre-proline / -73.0,129.2		20.5% (mt)
chi angles: 313.9,174.5		0.035Å--
B 113 PRO95.65-Favored (84.3%)
Proline / -59.7,148.1		37.7% (Cg_exo)
chi angles: 325.8		0.02Å--
B 114 LYS95.65-Favored (64.96%)
General case / -58.3,-27.2		64.1% (mttt)
chi angles: 308.2,156.4,188.2,174.5		0.051Å--
B 115 LYS95.65-Favored (96.42%)
General case / -63.4,-44.2		33% (mtmm)
chi angles: 307.2,189.6,296.6,286.2		0.083Å--
B 116 PHE95.65-Favored (18.76%)
General case / -94.7,14.9		21.1% (m-85)
chi angles: 315.3,115		0.063Å--
B 117 LYS95.650.632Å
HG2 with B 109 TRP CZ2 		Favored (33.79%)
Pre-proline / -110.9,125.9		1.9% (ttpt)
chi angles: 216.7,150.2,72.9,143.6		0.12Å--
B 118 PRO94.690.488Å
HB2 with B 124 ASN CG 		Favored (10.48%)
Proline / -86.5,145.3		70.6% (Cg_endo)
chi angles: 33.5		0.032Å--
B 119 LEU91.50.558Å
HB3 with B 122 ARG CZ 		Allowed (0.66%)
General case / -42.8,113.1		3% (mt)
chi angles: 306.9,143.6		0.082Å--
B 120 SER86.68-Favored (11.42%)
General case / -47.9,133.5		33.1% (p)
chi angles: 52.6		0.033Å--
B 121 ASN83.73-Favored (6.99%)
General case / 65.3,16.2		87.8% (m-20)
chi angles: 297,321.5		0.02Å--
B 122 ARG84.040.558Å
CZ with B 119 LEU HB3 		Favored (53.52%)
General case / -130.0,142.4		58.8% (mtm180)
chi angles: 284.2,157.1,283.3,188.8		0.013Å--
B 123 ILE79.53-Favored (7.18%)
General case / -81.2,95.0		76% (mt)
chi angles: 300.8,175.6		0.064Å--
B 124 ASN81.430.488Å
CG with B 118 PRO HB2 		Favored (48.88%)
General case / -68.9,144.2		1.9% (m-80)
chi angles: 293.2,238.2		0.014Å--
B 125 VAL81.65-Favored (10.42%)
General case / -149.2,126.4		67.9% (t)
chi angles: 179.5		0.062Å--
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 77.64Clashscore: 26.38Outliers: 1 of 222Outliers: 10 of 215Outliers: 0 of 218Outliers: 0 of 226Outliers: 2 of 226
B 126 ILE85.3-Favored (22.62%)
General case / -109.1,156.6		10.7% (mt)
chi angles: 317,178.6		0.044Å--
B 127 LEU92.29-Favored (3.93%)
General case / -121.9,92.6		6.3% (mp)
chi angles: 261.4,63.1		0.043Å--
B 128 SER95.29-Favored (25.88%)
General case / -136.7,123.9		41.6% (t)
chi angles: 177.5		0.042Å--
B 129 ARG95.650.742Å
HB2 with B 129 ARG NH1 		Favored (22.77%)
General case / -82.9,4.8		9.3% (mtm105)
chi angles: 282.8,180.5,275.6,74.3		0.06Å--
B 130 THR95.65-Favored (6.81%)
General case / -120.2,-18.1		20.3% (p)
chi angles: 73.2		0.034Å--
B 131 LEU95.650.404Å
HD23 with B 131 LEU HA 		Favored (31.84%)
General case / -83.3,142.7		14% (mt)
chi angles: 289.2,195.9		0.091Å--
B 132 LYS95.65-Favored (42.56%)
General case / -96.7,119.4		10.7% (mptt)
chi angles: 274.6,48.5,189.9,175		0.032Å--
B 133 LYS95.650.542Å
HG2 with B 142 ILE HB 		Favored (41.29%)
General case / -51.2,-36.7		70.9% (mttt)
chi angles: 313.7,194.6,172.9,189		0.065Å--
B 134 GLU95.650.517Å
H with B 134 GLU CD 		Favored (2.14%)
General case / -39.2,-45.6		5.9% (mp0)
chi angles: 292.6,68.4,67.4		0.033Å--
B 135 ASP95.65-Favored (7.51%)
General case / -89.4,17.6		0.4%
chi angles: 235.8,293.5		0.061Å--
B 136 PHE95.65-Favored (38.91%)
General case / -118.0,147.3		27.6% (m-85)
chi angles: 279.5,118.4		0.038Å--
B 137 ASP95.650.453Å
HB2 with B 139 ASP OD1 		Allowed (0.17%)
General case / -58.7,-179.0		0.2%
chi angles: 331.6,315.1		0.019Å--
B 138 GLU95.650.542Å
H with B 138 GLU CD 		Favored (14.77%)
General case / -62.8,-57.9		10.2% (mp0)
chi angles: 320.3,81.9,170.5		0.077Å--
B 139 ASP95.650.453Å
OD1 with B 137 ASP HB2 		Favored (90.88%)
General case / -59.2,-44.9		1.3% (p30)
chi angles: 38.9,47.5		0.029Å--
B 140 VAL95.65-Favored (5.4%)
General case / -74.3,105.3		96.6% (t)
chi angles: 176.1		0.053Å--
B 141 TYR95.240.481Å
OH with B 156 LEU HD21 		Favored (7%)
General case / -83.4,178.0		81.2% (m-85)
chi angles: 292.6,105.5		0.064Å--
B 142 ILE94.320.542Å
HB with B 133 LYS HG2 		Favored (30.33%)
General case / -150.5,150.5		29.4% (mm)
chi angles: 294.9,291.9		0.058Å--
B 143 ILE95.650.483Å
CG2 with B 144 ASN N 		Favored (54.78%)
General case / -134.4,155.2		51.3% (mt)
chi angles: 295.4,182.7		0.043Å--
B 144 ASN95.650.483Å
N with B 143 ILE CG2 		Favored (9.83%)
General case / -88.1,-48.9		9.2% (t-20)
chi angles: 200.5,287.8		0.069Å--
B 145 LYS95.65-Favored (6.37%)
General case / -147.6,-179.4		95.9% (mttt)
chi angles: 299.6,174.2,184.5,174.1		0.003Å--
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 77.64Clashscore: 26.38Outliers: 1 of 222Outliers: 10 of 215Outliers: 0 of 218Outliers: 0 of 226Outliers: 2 of 226
B 146 VAL95.650.652Å
HG21 with B 176 LYS HE3 		Favored (75.94%)
General case / -62.1,-50.3		38.5% (t)
chi angles: 185.4		0.069Å--
B 147 GLU95.65-Favored (5.18%)
General case / -51.3,-23.1		3.7% (mp0)
chi angles: 300.8,96.2,121.4		0.026Å--
B 148 ASP95.650.449Å
HB2 with B 143 ILE HG23 		Favored (36.8%)
General case / -82.9,-21.3		69.1% (m-20)
chi angles: 289.6,137.7		0.043Å--
B 149 LEU95.39-Favored (73.06%)
General case / -61.9,-51.1		41.7% (tp)
chi angles: 176.5,70.1		0.032Å--
B 150 ILE94.590.435Å
HG12 with B 150 ILE H 		Favored (19.97%)
General case / -49.6,-34.2		9.5% (mm)
chi angles: 319.8,299.3		0.034Å--
B 151 VAL95.55-Favored (68.17%)
General case / -71.5,-45.2		70.3% (t)
chi angles: 171.8		0.027Å--
B 152 LEU94.170.519Å
O with B 156 LEU HD12 		Favored (69.15%)
General case / -64.2,-24.1		31.5% (tp)
chi angles: 177.3,52.9		0.019Å--
B 153 LEU94-Favored (49.88%)
General case / -78.5,-27.4		91% (mt)
chi angles: 295.3,178.6		0.021Å--
B 154 GLY93.45-Favored (69.32%)
Glycine / -72.1,-33.7		----
B 155 LYS95.460.647Å
C with B 86 VAL HG21 		Favored (20.44%)
General case / -92.4,12.6		93.3% (mttt)
chi angles: 304.8,181.6,176.7,184		0.045Å--
B 156 LEU90.560.519Å
HD12 with B 152 LEU O 		Favored (24.85%)
General case / -122.6,163.3		55.8% (mt)
chi angles: 287.1,164.5		0.014Å--
B 157 ASN91.06-Favored (8.28%)
General case / -114.0,99.2		70.3% (m-20)
chi angles: 286.1,306		0.097Å--
B 158 TYR83.090.516Å
C with B 98 LEU HD11 		Favored (48.85%)
General case / -137.3,158.7		2.2% (p90)
chi angles: 66.9,119		0.049Å--
B 159 TYR74.840.798Å
HB3 with B 100 ASN OD1 		Allowed (1.02%)
General case / -80.0,-67.5		20.2% (t80)
chi angles: 188.8,50.9		0.027Å--
B 160 LYS73.520.464Å
HD3 with B 12 TYR HE2 		Favored (50.15%)
General case / -137.9,157.1		95.7% (mttt)
chi angles: 296.6,176.3,171.6,184		0.048Å--
B 161 CYS67.52-Favored (58.56%)
General case / -109.3,121.0		53.4% (t)
chi angles: 180.9		0.009Å--
B 162 PHE62.36-Favored (58.2%)
General case / -108.8,120.7		76.8% (m-85)
chi angles: 292.6,107.5		0.034Å--
B 163 ILE63.510.422Å
HD13 with B 103 VAL HB 		Favored (24.08%)
General case / -86.7,114.3		43.3% (mm)
chi angles: 305.9,303.8		0.119Å--
B 164 ILE62.14-Favored (8.41%)
General case / -106.0,27.4		17.2% (pt)
chi angles: 66.4,184		0.101Å--
B 165 GLY68.75-Favored (30.65%)
Glycine / 100.3,175.8		----
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 77.64Clashscore: 26.38Outliers: 1 of 222Outliers: 10 of 215Outliers: 0 of 218Outliers: 0 of 226Outliers: 2 of 226
B 166 GLY66.39-Favored (22.85%)
Glycine / -90.6,-150.1		----
B 167 SER74.44-Favored (37.46%)
General case / -49.5,-41.3		59.2% (p)
chi angles: 72.8		0.071Å--
B 168 VAL72.14-Favored (76.78%)
General case / -68.6,-45.1		30.4% (t)
chi angles: 186.2		0.038Å--
B 169 VAL70.37-Favored (63.71%)
General case / -56.3,-53.3		57.5% (t)
chi angles: 180.5		0.056Å--
B 170 TYR69.31-Favored (40.51%)
General case / -56.0,-55.6		24.8% (m-85)
chi angles: 294.7,133.7		0.098Å--
B 171 GLN84.710.471Å
HA with B 198 PRO HG2 		Allowed (0.82%)
General case / -37.0,-61.3		59.6% (tp60)
chi angles: 181.8,60,67.9		0.018Å--
B 172 GLU91.60.602Å
HB2 with B 176 LYS HE2 		Favored (80.9%)
General case / -68.8,-42.4		13.6% (pt-20)
chi angles: 53.5,188.4,122.5		0.059Å--
B 173 PHE83.490.575Å
CD1 with B 178 LEU HD12 		Favored (65.35%)
General case / -57.3,-29.2		5.2% (m-85)
chi angles: 265.7,106.5		0.025Å--
B 174 LEU82.91-Favored (31.27%)
General case / -75.2,-48.5		17.8% (mt)
chi angles: 276.8,164.3		0.007Å--
B 175 GLU89.520.579Å
CG with B 172 GLU HA 		Favored (73.53%)
General case / -67.1,-30.8		5.4% (pt-20)
chi angles: 39.3,189.8,117.1		0.016Å--
B 176 LYS88.190.652Å
HE3 with B 146 VAL HG21 		Favored (7.27%)
General case / -76.2,6.0		67.3% (mttm)
chi angles: 295.1,187.2,187.4,301.3		0.02Å--
B 177 LYS81.680.407Å
H with B 175 GLU C 		Favored (7.32%)
General case / 44.9,44.6		28.5% (mmtp)
chi angles: 309.4,306.1,167.6,64.6		0.043Å--
B 178 LEU77.930.575Å
HD12 with B 173 PHE CD1 		Favored (26.47%)
General case / -100.6,-3.6		75.2% (mt)
chi angles: 304.5,177.7		0.055Å--
B 179 ILE72.44-Favored (47.28%)
General case / -95.2,127.3		47.4% (mm)
chi angles: 305,301.7		0.025Å--
B 180 LYS72.420.673Å
HE2 with B 7 ASP HA 		Favored (11.19%)
General case / -93.2,-42.2		35.5% (ttmt)
chi angles: 190.1,196.8,288.1,186.5		0.028Å--
B 181 LYS63.50.735Å
HB2 with B 12 TYR CD1 		Favored (43.93%)
General case / -140.8,157.3		82.2% (mttt)
chi angles: 277.2,179.8,179,167.4		0.085Å--
B 182 ILE59.180.534Å
HB with B 226 TYR HB2 		Favored (16.78%)
General case / -132.2,113.0		18.1% (mt)
chi angles: 314.4,167.9		0.058Å--
B 183 TYR54.08-Favored (10.94%)
General case / -90.9,96.0		63.8% (m-85)
chi angles: 293.3,78.2		0.08Å--
B 184 PHE57.14-Favored (37.53%)
General case / -99.9,116.1		4.7% (t80)
chi angles: 197.8,112.6		0.095Å--
B 185 THR46.7-Favored (42.54%)
General case / -92.5,126.0		16.4% (m)
chi angles: 288		0.108Å--
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 77.64Clashscore: 26.38Outliers: 1 of 222Outliers: 10 of 215Outliers: 0 of 218Outliers: 0 of 226Outliers: 2 of 226
B 186 ARG44.710.556Å
HB2 with B 222 ASP OD1 		Favored (23.31%)
General case / -98.6,107.3		76.1% (mtm180)
chi angles: 298.4,184.8,294.9,192		0.01Å--
B 187 ILE47.230.481Å
HB with B 18 CYS HA 		Favored (20.62%)
General case / -87.0,110.1		39.7% (mm)
chi angles: 302.6,294.6		0.084Å--
B 188 ASN50.77-Favored (5.92%)
General case / -85.8,66.0		60.5% (t30)
chi angles: 194.9,23.9		0.102Å--
B 189 SER59.49-Favored (16.43%)
General case / -163.6,154.8		4.5% (p)
chi angles: 42.2		0.03Å--
B 190 THR62.950.545Å
HG21 with B 21 GLU HB3 		Favored (39.45%)
General case / -97.2,137.3		88.9% (m)
chi angles: 302.1		0.031Å--
B 191 TYR67.89-Favored (24.38%)
General case / -141.0,168.3		28.7% (m-85)
chi angles: 308.1,79.1		0.047Å--
B 192 GLU81.57-Favored (40.38%)
General case / -82.5,131.6		33.3% (tt0)
chi angles: 177.4,182.1,106.6		0.049Å--
B 193 CYS72.5-Favored (52.94%)
General case / -136.4,156.2		71.3% (m)
chi angles: 297.4		0.054Å--
B 194 ASP75.52-Favored (4.3%)
General case / -124.5,-22.3		4.7% (p30)
chi angles: 51.1,46.7		0.043Å--
B 195 VAL75.340.414Å
HG23 with B 41 GLY N 		Favored (49%)
General case / -124.6,146.8		15.7% (m)
chi angles: 289.9		0.027Å--
B 196 PHE76.440.501Å
N with B 196 PHE CD1 		Favored (42.7%)
General case / -142.1,155.1		0.1%
chi angles: 329.9,73.8		0.028Å--
B 197 PHE69.090.418Å
HA with B 198 PRO HD3 		Favored (93.61%)
Pre-proline / -72.6,149.5		36.7% (t80)
chi angles: 191.2,95.5		0.066Å--
B 198 PRO71.570.471Å
HG2 with B 171 GLN HA 		Favored (70.32%)
Proline / -69.4,156.2		50.2% (Cg_exo)
chi angles: 335.5		0.029Å--
B 199 GLU78.68-Favored (7.13%)
General case / -69.1,113.1		4.8% (tt0)
chi angles: 171.1,139.4,37.9		0.035Å--
B 200 ILE76.03-Favored (13.55%)
General case / -68.0,118.9		43.6% (mt)
chi angles: 294.2,183.9		0.006Å--
B 201 ASN81.70.483Å
HB3 with B 204 GLU HB2 		Favored (7.07%)
General case / -65.3,115.5		40.1% (t-20)
chi angles: 191.8,323.1		0.107Å--
B 202 GLU92.25-Favored (67.26%)
General case / -66.6,-19.8		7.6% (pt-20)
chi angles: 78,164.4,126.5		0.023Å--
B 203 ASN84.34-Favored (36.61%)
General case / -82.9,-21.4		75.5% (m-20)
chi angles: 298.8,300.2		0.031Å--
B 204 GLU87.810.483Å
HB2 with B 201 ASN HB3 		Favored (13.24%)
General case / -91.9,-38.6		74.1% (mm-40)
chi angles: 295.8,294.1,130.3		0.026Å--
B 205 TYR80.060.452Å
CE1 with B 228 LYS HG2 		Favored (40.98%)
General case / -126.0,158.6		87.1% (m-85)
chi angles: 290.3,97.3		0.051Å--
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 77.64Clashscore: 26.38Outliers: 1 of 222Outliers: 10 of 215Outliers: 0 of 218Outliers: 0 of 226Outliers: 2 of 226
B 206 GLN76.24-Favored (28.36%)
General case / -150.4,147.0		19.1% (pt20)
chi angles: 70.7,179.6,64.2		0.011Å--
B 207 ILE55.55-Favored (44.76%)
General case / -76.4,132.8		56.4% (mt)
chi angles: 293.4,158.2		0.05Å--
B 208 ILE50.540.547Å
HD13 with B 227 LYS HB2 		Favored (8.19%)
General case / -119.3,-14.2		38.2% (pt)
chi angles: 58,175.8		0.038Å--
B 209 SER46.67-Favored (16.38%)
General case / -153.7,140.3		73.2% (m)
chi angles: 293.8		0.026Å--
B 210 VAL41.20.501Å
HG12 with B 224 ILE HG22 		Favored (54.98%)
General case / -129.8,141.2		32.7% (m)
chi angles: 297.1		0.082Å--
B 211 SER34.52-Favored (3.37%)
General case / -100.4,-177.4		13.9% (p)
chi angles: 82.2		0.039Å--
B 212 ASP40.6-Favored (11.25%)
General case / -67.0,166.7		52.1% (t0)
chi angles: 191.7,179.3		0.127Å--
B 213 VAL32.01-Favored (33.82%)
General case / -103.7,142.6		49.8% (t)
chi angles: 168.6		0.022Å--
B 214 TYR37.150.521Å
O with B 220 THR HA 		Favored (22.05%)
General case / -135.3,169.6		25.2% (m-85)
chi angles: 309.6,80.1		0.112Å--
B 215 THR40.21-Favored (59.62%)
General case / -123.9,125.7		1%
chi angles: 268.3		0.055Å--
B 216 SER42.15-Favored (18.89%)
General case / -147.1,134.8		15.1% (t)
chi angles: 190		0.052Å--
B 217 ASN51.2-Favored (3.95%)
General case / 43.9,57.6		6.3% (m120)
chi angles: 312.5,82.1		0.027Å--
B 218 ASN59.87-Favored (23.63%)
General case / 54.6,38.5		39.3% (m-80)
chi angles: 277.9,282.8		0.102Å--
B 219 THR43.54-Favored (19.93%)
General case / -161.3,154.6		9.1% (t)
chi angles: 180.1		0.057Å--
B 220 THR37.340.521Å
HA with B 214 TYR O 		Favored (17.02%)
General case / -98.9,159.1		71.5% (p)
chi angles: 59.1		0.071Å--
B 221 LEU38.570.446Å
N with B 221 LEU HD23 		Favored (26.46%)
General case / -161.0,160.9		1.9% (pt?)
chi angles: 63.6,158.7		0.082Å--
B 222 ASP43.410.556Å
OD1 with B 186 ARG HB2 		Favored (22.74%)
General case / -146.3,168.0		48.8% (p-10)
chi angles: 67.5,173.7		0.059Å--
B 223 PHE39.22-Favored (62.2%)
General case / -119.7,126.3		43.5% (m-85)
chi angles: 310,96.8		0.059Å--
B 224 ILE44.110.501Å
HG22 with B 210 VAL HG12 		Favored (31.6%)
General case / -121.5,159.3		48.5% (pt)
chi angles: 60.9,171.5		0.011Å--
B 225 ILE48.31-Favored (57.54%)
General case / -124.7,124.3		84.6% (mt)
chi angles: 300,173.7		0.012Å--
#ResHigh BClash > 0.4ÅRamachandranRotamerCβ deviationBond lengths.Bond angles.
Avg: 77.64Clashscore: 26.38Outliers: 1 of 222Outliers: 10 of 215Outliers: 0 of 218Outliers: 0 of 226Outliers: 2 of 226
B 226 TYR55.380.534Å
HB2 with B 182 ILE HB 		Favored (40.85%)
General case / -99.8,137.2		58.4% (m-85)
chi angles: 283.1,90		0.104Å--
B 227 LYS70.210.547Å
HB2 with B 208 ILE HD13 		Favored (54.26%)
General case / -121.6,140.4		87.5% (tttt)
chi angles: 187.1,174.7,179.2,178.6		0.027Å--
B 228 LYS75.840.452Å
HG2 with B 205 TYR CE1 		Favored (11.01%)
General case / -63.2,119.4		5.1% (tmtt?)
chi angles: 226.3,299.8,173.3,181.3		0.065Å--
B 229 THR85.58-Favored (36.65%)
General case / -73.8,153.3		61.2% (p)
chi angles: 62.3		0.112Å--
B 230 ASN95.65-Favored (4.5%)
General case / -91.7,67.5		74.4% (m-20)
chi angles: 301.5,301.2		0.04Å--
B 231 ASN95.65--75.1% (m-20)
chi angles: 286.4,311.5		0.026Å--
About MolProbity | Website for the Richardson Lab | Internal reference 3.13