***************** FILE 3D_ALI - sequence alignment based on 3D superposition ****************
FT   file: gp1.3D_ALI
DT    created at EMBL Sat Aug  3 23:56:44 1991      
NS    1  
FN    1gp1  chain: A; Range(PDB):   10 -  193         resolution: 2.0 angstroms. 
NA    2  
NL    183  
DB    RELEASE 17.0 OF EMBL/SWISS-PROT WITH  20024 SEQUENCES                 
TH    threshold_1 - % identity       0.35
TH    threshold_2 - % alignment      0.35
AU    This file was generated by the program CHARON
AU    Stefano Pascarella and Patrick Argos, EMBL, Postfach 10 22 09, 6900 Heidelberg, Germany
AU    
NT    The sequence alignments and part of the notation included in this file has been taken from the HSSP files: 
NT    Sander C. and Schneider R. : Database of homology-derived protein structures. Protins, in press.
NT    Notation:    seq_id = sequence identifyer eithr from PDB or from SWISSPROT.
NT                 %ide = percentage of identical residues.
NT                 ifir, ilast = first and last residue of the alignment in the test sequence.
NT			jfir, jlast = first and last residue of the alignment in the aligned protein.
NT                 lali = length of the alignment excluding insertions and deletions.
NT                 ngap, lgap = number and total length of all insertions and deletions.
NT                 lseq2 = length of the entire sequence of the aligned protein.
NT                 HSP = numeration in the HSSP file.
NT                 PDB = numeration in the PDB file.
NT                 A = aminoacid sequence.
NT                 STRUCT = secondary structure assignment as found in DSSP file.
NT                 PHI, PSI, CHIx = dihedral angles phi, psi and chi1, chi2....
NT                 ACC = accessibility as found in DSSPfiles.
NT     Symbols:    '-'  indicates a gap in the structural alignments.
NT                 '?'  indicates a structural gap: the sequence is known but the structure is unresolved.
NT                 ' ' indictes a gap in the sequence alignments.
NT                 pairs of lower case letters in the alignment bracket an insertion in the sequence.
EN

     ..............................................................................................................................
          seq_id          %ide  ifir  ilas  jfir  jlas  lali  ngap  lgap  lseq
->   1. 1gp1
  2. GSHX$HUMAN            0.59     1   111    12   119   106     1     3   122 GLUTATHIONE PEROXIDASE-RELATED PROTEIN 1 (GPRP).
  3. BTUE$ECOLI            0.37    39   174    39   170   131     2     6   183 VITAMIN B12 TRANSPORT PERIPLASMIC PROTEIN (GENE NAME

     ..............................................................................................................................
####
CC    Structure superposition
NB    1  blocks
NC    3 structures per block
                                  1gp1                                                                            

    HSP   PDB A  STRUCT     PHI    PSI   ACC |HSP   PDB A  STRUCT     PHI    PSI   ACC |HSP   PDB A  STRUCT     PHI    PSI   ACC |
   |-----------------------------------------|-----------------------------------------|-----------------------------------------|
  1.   1   10 R            360.0  135.7  201 |
  2.   2   11 T   >   -   -128.5  169.8   38 |
  3.   3   12 V G >  S+    -69.3   -8.7    0 |
  4.   4   13 Y G 3  S+    -73.3   -6.9   23 |
  5.   5   14 A G <  S+    -76.1  -17.3   58 |
  6.   6   15 F   <   -   -102.0  159.9   18 |
  7.   7   16 S E     -A  -138.5  159.7   51 |
  8.   8   17 A E     -A  -142.4  157.7    8 |
  9.   9   18 R       -    -86.4  134.3  116 |
 10.  10   19 P B >   -B   -66.9  142.4   26 |
 11.  11   20 L T 3  S+    -50.4  -46.0   17 |
 12.  12   21 A T 3  S-    -57.4  -13.6   98 |
 13.  13   22 G S <  S-    130.8  117.4   38 |
 14.  14   23 G       +    -39.8  144.1   41 |
 15.  15   24 E S    S-    144.4   87.8  149 |
 16.  16   25 P       -    -56.0  118.7   62 |
 17.  17   26 F E     -A   -79.7  125.1   45 |
 18.  18   27 N E >   -A   -99.0  127.3   73 |
 19.  19   28 L G >  S+    -60.8  -23.4    0 |
 20.  20   29 S G >  S+    -59.5  -17.7   49 |
 21.  21   30 S G <  S+    -61.0  -30.1   77 |
 22.  22   31 L G X  S+    -96.9   13.2   19 |
 23.  23   32 R T <   +    -57.0  126.6  155 |
 24.  24   33 G T 3  S+     91.0   -2.7   48 |
 25.  25   34 K S <  S-    -98.1  157.5   88 |
 26.  26   35 V E     -c   -88.6  120.9    4 |
 27.  27   36 L E     -cD -104.4  137.3    1 |
 28.  28   37 L E     -cD -113.9   98.9    0 |
 29.  29   38 I E     +cD  -90.8  131.4    0 |
 30.  30   39 E E     -cD -124.9  145.9    0 |
 31.  31   40 N E     -c   -93.3  126.7    0 |
 32.  32   41 V E     -c  -119.9  160.3    0 |
 33.  33   42 A       -   -146.9  152.2    0 |
 34.  34   43 S            -87.9  -19.9    1 |
 35.  35   44 L           -123.7  360.0   14 |
 36.  37   46 G            360.0  -26.2   82 |
 37.  38   47 T    >  +   -102.3   11.3   38 |
 38.  39   48 T H  > S+    -42.8  -54.8    2 |
 39.  40   49 V H  > S+    -71.0  -41.9   67 |
 40.  41   50 R H  > S+    -61.2  -50.3   77 |
 41.  42   51 D H  X S+    -73.0  -36.6    0 |
 42.  43   52 Y H  X S+    -69.4  -39.5    0 |
 43.  44   53 T H  X S+    -62.4  -48.1   70 |
 44.  45   54 Q H  X S+    -65.3  -36.1   32 |
 45.  46   55 M H  X S+    -69.7  -38.2    0 |
 46.  47   56 N H  X S+    -64.4  -41.1   22 |
 47.  48   57 D H  X S+    -61.0  -51.3   36 |
 48.  49   58 L H  X S+    -56.2  -45.5    0 |
 49.  50   59 Q H  X S+    -63.6  -41.1   29 |
 50.  51   60 R H  < S+    -69.6  -48.9  150 |
 51.  52   61 R H  < S+    -71.1  -44.3   92 |
 52.  53   62 L H >X>S+   -102.2  -14.8    3 |
 53.  54   63 G G ><5S+    -44.8  -55.2   19 |
 54.  55   64 P G 345S+    -62.3  -14.0  117 |
 55.  56   65 R G <45S-    -95.8   -0.7  137 |
 56.  57   66 G T <<5S+    125.8   -1.9   12 |
 57.  58   67 L E   < -c   -82.1  133.6    1 |
 58.  59   68 V E     -c  -123.8  119.1   20 |
 59.  60   69 V E     -c   -88.3  126.4    0 |
 60.  61   70 L E     -ce -116.7  123.5    0 |
 61.  62   71 G E     -ce -115.5  131.3    0 |
 62.  63   72 F E     -c  -124.7   98.8   10 |
 63.  64   73 P E     -c   -61.2  137.3    1 |
 64.  65   74 C       -   -149.2  130.5    0 |
 65.  66   75 N    >  +    -98.7   14.5   39 |
 66.  67   76 Q T  4  +    -79.1  -14.8   12 |
 67.  68   77 F T >4 S-   -115.7   86.4    1 |
 68.  69   78 G T 34 S-     73.4   20.5    4 |
 69.  70   79 H T 3< S+     46.1   49.5   37 |
 70.  71   80 Q   <   +    -85.5   18.6   30 |
 71.  72   81 E       +   -142.4   51.0    3 |
 72.  73   82 N       +    -67.3  -29.5   27 |
 73.  74   83 A S    S-    -60.0  166.7    1 |
 74.  75   84 K   >>  -    -76.0  163.2  100 |
 75.  76   85 N H >> S+    -49.2  -38.6   35 |
 76.  77   86 E H 34 S+    -71.5  -17.6  142 |
 77.  78   87 E H <> S+   -104.1  -17.2   25 |
 78.  79   88 I H XX S+    -54.3  -44.7    0 |
 79.  80   89 L H 3X S+    -63.4  -32.5   81 |
 80.  81   90 N H 3> S+    -70.4  -32.1   59 |
 81.  82   91 C H <X>S+    -62.0  -46.8    6 |
 82.  83   92 L H  <5S+    -62.1  -45.8    0 |
 83.  84   93 K H  <5S+    -67.4  -48.5   65 |
 84.  85   94 Y H  <5S+   -102.0  -24.5   81 |
 85.  86   95 V T  <5S+   -107.3  -61.4   11 |
 86.  87   96 R S   <S+   -154.7  122.9   18 |
 87.  88   97 P S    S+    -65.5  -17.9   34 |
 88.  89   98 G   >   +     73.3 -161.5    9 |
 89.  90   99 G T 3  S-     60.5   20.1   92 |
 90.  91  100 G T 3  S+     91.5    8.9   40 |
 91.  92  101 F   <   +    -50.9  132.9   30 |
 92.  93  102 E       -   -134.7  128.0  129 |
 93.  94  103 P       -    -58.8  131.6   26 |
 94.  95  104 N S    S+    -85.1    6.0   75 |
 95.  96  105 F S    S-   -127.5  172.9   18 |
 96.  97  106 M E     -e   -69.0  126.0   61 |
 97.  98  107 L E     -e  -110.3  145.3   14 |
 98.  99  108 F B     -B  -111.2  175.9    1 |
 99. 100  109 E       -    -64.0  154.8   65 |
100. 101  110 K       +    -62.5  120.5   53 |
101. 102  111 C       -   -138.5  174.1   63 |
102. 103  112 E B     -g   -94.6  145.1   81 |
103. 104  113 V S    S+   -108.5  -20.0    3 |
104. 105  114 N S    S+   -124.6  153.4    0 |
105. 106  115 G S >  S-     90.3  179.5   15 |
106. 107  116 E T 3  S+    -60.5  -24.1  151 |
107. 108  117 K T 3  S+    -97.8    6.3  148 |
108. 109  118 A B <   -g   -54.9  142.6   17 |
109. 110  119 H   >>  -    -61.5  130.7   31 |
110. 111  120 P H 3> S+    -58.7  -23.1   77 |
111. 112  121 L H 3> S+    -64.0  -42.5    1 |
112. 113  122 F H <> S+    -75.8  -31.6    2 |
113. 114  123 A H  X S+    -63.3  -36.4   42 |
114. 115  124 F H  X S+    -68.0  -48.5    8 |
115. 116  125 L H  X S+    -60.4  -37.7    0 |
116. 117  126 R H  < S+    -74.8  -32.8   17 |
117. 118  127 E H  < S+    -69.5  -49.5  137 |
118. 119  128 V H  < S+    -75.3  -25.7   57 |
119. 120  129 L S  < S+   -127.7   77.8   27 |
120. 121  130 P       +    -73.4  -14.9   68 |
121. 122  131 T S    S-   -141.6  153.0   69 |
122. 123  132 P   >   -    -67.3  134.1   12 |
123. 124  133 S T 3  S+    -47.0  -31.8   68 |
124. 125  134 D T 3  S+   -104.9   -3.5   62 |
125. 126  135 D   <   +   -159.2   82.9   25 |
126. 127  136 A S    S+    -63.9  -24.1   60 |
127. 128  137 T S    S+   -122.7  -29.7  126 |
128. 129  138 A       +    -67.7  131.2   57 |
129. 130  139 L       -   -107.0  -61.7   56 |
130. 131  140 M       -   -156.1  143.0   44 |
131. 132  141 T S    S+    -83.3  -43.4  149 |
132. 133  142 D S >  S-   -109.4  114.7   62 |
133. 134  143 P G >  S+    -56.5  -25.9   97 |
134. 135  144 K G 3  S+    -61.1  -23.2  103 |
135. 136  145 F G <  S+    -80.1   -9.8   62 |
136. 137  146 I   <   +    -86.4   93.4   45 |
137. 138  147 T       +   -107.2    1.2   44 |
138. 139  148 W S    S-   -104.8  167.3   15 |
139. 140  149 S S    S+   -145.6  143.4   69 |
140. 141  150 P S    S-    -76.0  166.1   72 |
141. 142  151 V       -    -95.6  125.7   76 |
142. 143  152 C   >   -   -120.9  155.0   49 |
143. 144  153 R T 3  S+    -64.5  -22.1  246 |
144. 145  154 N T 3  S+    -97.5    7.5   38 |
145. 146  155 D   <   -    -57.2  150.8    3 |
146. 147  156 V       -    -68.5  136.0    0 |
147. 148  157 S       -    -85.1  -38.9   13 |
148. 149  158 W S >  S-   -159.8 -178.5   40 |
149. 150  159 N T 3  S+    -62.3  149.9    3 |
150. 151  160 F T 3   +     64.4   50.0    2 |
151. 152  161 E   <   -    -82.7  153.2    1 |
152. 153  162 K E     -DF -128.5  130.1    0 |
153. 154  163 F E     -DF -128.5  124.4    0 |
154. 155  164 L E     -DF -109.6  119.4    0 |
155. 156  165 V E     -DF -112.8  131.5    0 |
156. 157  166 G   >   -    -79.6  167.8    1 |
157. 158  167 P T 3  S+    -60.6   -7.0   53 |
158. 159  168 D T 3  S-   -107.1    9.7   95 |
159. 160  169 G S <  S+     98.8  -13.6    0 |
160. 161  170 V       -    -90.0  123.0   60 |
161. 162  171 P E     -F   -61.6  126.9   14 |
162. 163  172 V E     -   -102.9  -46.2   51 |
163. 164  173 R E     -F  -152.9  158.2   83 |
164. 165  174 R E     -F  -127.6  132.1    3 |
165. 166  175 Y E     -F  -118.7  144.4    2 |
166. 167  176 S   >   -    -70.3  171.9    5 |
167. 168  177 R T 3  S+    -55.4  -23.8  107 |
168. 169  178 R T 3  S+    -90.5  -16.1  148 |
169. 170  179 F S <  S-    -77.4  129.2   48 |
170. 171  180 L   >   -    -74.7  137.8   57 |
171. 172  181 T G >  S+    -51.9  -41.4    0 |
172. 173  182 I G >  S+    -67.3  -22.0   49 |
173. 174  183 D G <  S+    -86.2    2.1   85 |
174. 175  184 I G <> S+    -86.2  -13.3    0 |
175. 176  185 E H X> S+    -48.2  -53.2   37 |
176. 177  186 P H 3> S+    -51.9  -44.7   84 |
177. 178  187 D H 3> S+    -67.6  -28.5   46 |
178. 179  188 I H XX S+    -71.3  -47.4    0 |
179. 180  189 E H 3X S+    -52.2  -43.0   51 |
180. 181  190 T H 3< S+    -55.8  -42.8  101 |
181. 182  191 L H << S+    -78.6  -25.5   43 |
182. 183  192 L H  <       -72.9  -34.7   32 |
183. 184  193 S    <       -76.4  360.0  134 |
   |-----------------------------------------|-----------------------------------------|-----------------------------------------|
####


$$$$
CC   Sequence alignments  -  from 1
NB   1 blocks
NC   120 sequences per block

     .........|.........|.........|.........|.........|.........|.........|.........|.........|.........|.........|.........|......
  1. RS 
  2. TT 
  3. VV 
  4. YY 
  5. AA 
  6. FF 
  7. SS 
  8. AA 
  9. RR 
 10. PP 
 11. LL 
 12. AT 
 13. GG 
 14. GG 
 15. EE 
 16. PP 
 17. FV 
 18. NS 
 19. LL 
 20. SG 
 21. SS 
 22. LL 
 23. RR 
 24. GG 
 25. KK 
 26. VV 
 27. LL 
 28. LL 
 29. II 
 30. EE 
 31. NN 
 32. VV 
 33. AA 
 34. SS 
 35. L  
 36. GG 
 37. TT 
 38. TTL
 39. VIT
 40. RRP
 41. DDQ
 42. YYY
 43. TTE
 44. QEQ
 45. MML
 46. NNE
 47. DDN
 48. LLI
 49. QQQ
 50. RKK
 51. RRA
 52. LLW
 53. G V
 54. P D
 55. R R
 56. GGG
 57. LLF
 58. VVM
 59. VVV
 60. LLL
 61. GGG
 62. FFF
 63. PPP
 64. CCC
 65. NNN
 66. QQQ
 67. FFF
 68. GGL
 69. HHE
 70. QQQ
 71. EVE
 72. NYP
 73. AGG
 74. KAS
 75. NRD
 76. EWE
 77. EVE
 78. IAI
 79. LLK
 80. NGT
 81. CSY
 82. LRC
 83. KLT
 84. YPT
 85. VRT
 86. RA 
 87. PG 
 88. GH 
 89. GR 
 90. GL 
 91. FLW
 92. ESG
 93. PPV
 94. NLT
 95. FVF
 96. MLP
 97. LQM
 98. FLF
 99. EES
100. KCK
101. CRI
102. EPE
103. VIV
104. NLN
105. GGG
106. EYE
107. KTG
108. ARR
109. HRH
110. PAP
111. L L
112. F Y
113. A Q
114. F K
115. L L
116. R I
117. E A
118. V A
119. L A
120. P P
121. T T
122. P a
123. S a
124. D P
125. D E
126. A E
127. T S
128. A G
129. L F
130. M Y
131. T A
132. D R
133. P M
134. K V
135. F S
136. I K
137. T G
138. W R
139. S A
140. P P
141. V L
142. C Y
143. R P
144. N D
145. D D
146. V I
147. S L
148. W W
149. N N
150. F F
151. E E
152. K K
153. F F
154. L L
155. V V
156. G G
157. P R
158. D D
159. G G
160. V K
161. P V
162. V I
163. R Q
164. R R
165. Y F
166. S S
167. R P
168. R D
169. F M
170. L T
171. T P
172. I E
173. D D
174. I  
175. E  
176. P  
177. D  
178. I  
179. E  
180. T  
181. L  
182. L  
183. S  

     .........|.........|.........|.........|.........|.........|.........|.........|.........|.........|.........|.........|......
%%%%
CC    Chi angles
NB     1  blocks
NC     3  structures per block
                                  1gp1

    HSP   PDB A    CHI1   CHI2   CHI3   CHI4 |HSP   PDB A    CHI1   CHI2   CHI3   CHI4 |HSP   PDB A    CHI1   CHI2   CHI3   CHI4 |
   |-----------------------------------------|-----------------------------------------|-----------------------------------------|
  1.   1   10 R -126.18-100.44 154.25 108.54 |
  2.   2   11 T   66.54-999.00-999.00-999.00 |
  3.   3   12 V  -63.57-999.00-999.00-999.00 |
  4.   4   13 Y  -57.01 136.72-999.00-999.00 |
  5.   5   14 A -999.00-999.00-999.00-999.00 |
  6.   6   15 F  -57.31 108.06-999.00-999.00 |
  7.   7   16 S   52.01-999.00-999.00-999.00 |
  8.   8   17 A -999.00-999.00-999.00-999.00 |
  9.   9   18 R  -69.48-163.45 177.02 -94.93 |
 10.  10   19 P -999.00-999.00-999.00-999.00 |
 11.  11   20 L -179.83  56.93-999.00-999.00 |
 12.  12   21 A -999.00-999.00-999.00-999.00 |
 13.  13   22 G -999.00-999.00-999.00-999.00 |
 14.  14   23 G -999.00-999.00-999.00-999.00 |
 15.  15   24 E  173.51-158.98 155.52-999.00 |
 16.  16   25 P -999.00-999.00-999.00-999.00 |
 17.  17   26 F  179.29  85.90-999.00-999.00 |
 18.  18   27 N  -34.14  85.93-999.00-999.00 |
 19.  19   28 L  -93.53  68.01-999.00-999.00 |
 20.  20   29 S   68.32-999.00-999.00-999.00 |
 21.  21   30 S  -59.93-999.00-999.00-999.00 |
 22.  22   31 L  -62.43 177.30-999.00-999.00 |
 23.  23   32 R -170.17-171.82-140.49 101.18 |
 24.  24   33 G -999.00-999.00-999.00-999.00 |
 25.  25   34 K  -99.65  64.21-172.50 156.85 |
 26.  26   35 V  170.63-999.00-999.00-999.00 |
 27.  27   36 L  -49.93-178.18-999.00-999.00 |
 28.  28   37 L  178.02  51.94-999.00-999.00 |
 29.  29   38 I  -52.67 163.56-999.00-999.00 |
 30.  30   39 E  -58.47-170.36-168.99-999.00 |
 31.  31   40 N   58.47 -66.42-999.00-999.00 |
 32.  32   41 V  -56.09-999.00-999.00-999.00 |
 33.  33   42 A -999.00-999.00-999.00-999.00 |
 34.  34   43 S  -53.71-999.00-999.00-999.00 |
 35.  35   44 L  -72.58 171.27-999.00-999.00 |
 36.  37   46 G -999.00-999.00-999.00-999.00 |
 37.  38   47 T   68.04-999.00-999.00-999.00 |
 38.  39   48 T  -69.40-999.00-999.00-999.00 |
 39.  40   49 V  166.55-999.00-999.00-999.00 |
 40.  41   50 R  178.05-175.60 103.17 169.91 |
 41.  42   51 D  -66.52 118.74-999.00-999.00 |
 42.  43   52 Y  -97.47 105.43-999.00-999.00 |
 43.  44   53 T  -79.31-999.00-999.00-999.00 |
 44.  45   54 Q  -64.00 172.19  -8.06-999.00 |
 45.  46   55 M  -85.30-170.01 -71.89-999.00 |
 46.  47   56 N  -95.93  34.70-999.00-999.00 |
 47.  48   57 D  172.60-132.92-999.00-999.00 |
 48.  49   58 L  -72.96 178.71-999.00-999.00 |
 49.  50   59 Q -178.25  62.27 102.52-999.00 |
 50.  51   60 R  175.99-173.14  64.09-130.35 |
 51.  52   61 R  -59.34-168.36 -68.60  92.65 |
 52.  53   62 L  -66.07-175.64-999.00-999.00 |
 53.  54   63 G -999.00-999.00-999.00-999.00 |
 54.  55   64 P -999.00-999.00-999.00-999.00 |
 55.  56   65 R  -62.08-149.73 -82.40 129.25 |
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181. 182  191 L  -63.50-174.68-999.00-999.00 |
182. 183  192 L -115.12  34.61-999.00-999.00 |
183. 184  193 S  -94.02-999.00-999.00-999.00 |
   |-----------------------------------------|-----------------------------------------|-----------------------------------------|
END.