***************** FILE 3D_ALI - sequence alignment based on 3D superposition **************** FT file: sns.3D_ALI DT created at EMBL Sun Aug 4 00:20:25 1991 NS 1 FN 2sns chain: -; Range(PDB): 1 - 141 resolution: 1.5 angstroms. NA 0 NL 141 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. 2sns .............................................................................................................................. #### CC Structure superposition NB 1 blocks NC 3 structures per block 2sns HSP PDB A STRUCT PHI PSI ACC |HSP PDB A STRUCT PHI PSI ACC |HSP PDB A STRUCT PHI PSI ACC | |-----------------------------------------|-----------------------------------------|-----------------------------------------| 1. 1 1 A > 360.0 -23.7 111 | 2. 2 2 T T 4 - 22.6 -127.4 136 | 3. 3 3 S T 4 S+ -87.5 -30.4 104 | 4. 4 4 T T 4 S- -0.6 -70.2 50 | 5. 5 5 K < - 104.7 53.4 166 | 6. 6 6 K S S+ 99.3 -127.9 137 | 7. 7 7 L S S- -81.1 143.0 25 | 8. 8 8 H - -100.5 151.4 104 | 9. 9 9 K E -A -115.0 112.8 77 | 10. 10 10 E E -A -101.3 136.0 40 | 11. 11 11 P E +A -52.9 -173.5 97 | 12. 12 12 A E -A 167.4 160.9 18 | 13. 13 13 T - -115.9 132.3 92 | 14. 14 14 L E +D -73.6 131.2 52 | 15. 15 15 I E - -107.9 -69.6 72 | 16. 16 16 K E -D -149.9 131.0 125 | 17. 17 17 A E -D -95.3 130.3 24 | 18. 18 18 I - -83.0 -62.1 73 | 19. 19 19 D S S- -150.6 -155.7 10 | 20. 20 20 G S S+ -58.6 -60.5 0 | 21. 21 21 D S S+ -79.9 -10.1 9 | 22. 22 22 T E + E -133.9 128.4 9 | 23. 23 23 V E -DE -146.6 160.3 9 | 24. 24 24 K E +DE -96.4 121.6 62 | 25. 25 25 L E -DE -122.2 155.9 0 | 26. 26 26 M > + -99.1 57.4 52 | 27. 27 27 Y T 3 S- -66.8 103.9 36 | 28. 28 28 K T 3 S- 63.3 80.5 131 | 29. 29 29 G S < S+ 22.5 122.4 56 | 30. 30 30 Q S S- 122.5 119.7 146 | 31. 31 31 P + -66.1 145.3 80 | 32. 32 32 M E -E -165.4 146.5 62 | 33. 33 33 T E -E -101.8 141.8 49 | 34. 34 34 F E -Ef -120.7 143.5 9 | 35. 35 35 R E -Ef -106.8 135.6 17 | 36. 36 36 L E - f -74.6 105.1 3 | 37. 37 37 L S S+ -52.4 137.1 8 | 38. 38 38 L S S+ 45.4 84.5 7 | 39. 39 39 V - 164.9 138.1 0 | 40. 40 40 D B -I -138.3 135.4 35 | 41. 41 41 T - -106.0 148.9 0 | 42. 42 42 P - -46.8 121.8 9 | 43. 43 43 E + -42.0 151.7 37 | 44. 44 44 T + -130.8 -40.2 38 | 45. 45 45 K S S+ -108.7 -155.5 127 | 46. 46 46 H - 53.0 119.8 108 | 47. 47 47 P S S+ -62.9 -37.4 120 | 48. 48 48 K S S- -38.9 54.4 113 | 49. 49 49 K S S- 146.9 -109.5 98 | 50. 50 50 G - 156.3 -161.0 34 | 51. 51 51 V - -72.6 98.2 105 | 52. 52 52 E > - -63.9 124.5 57 | 53. 53 53 K T 3 S+ -38.9 119.3 153 | 54. 54 54 Y T 3 S+ 89.8 25.9 44 | 55. 55 55 G S <> S+ -92.8 -61.1 0 | 56. 56 56 P T >4 S+ -50.3 -56.9 68 | 57. 57 57 E G >4 S+ -58.5 -55.5 98 | 58. 58 58 A G 34 S+ -40.1 -17.8 0 | 59. 59 59 S G S+ -125.1 -50.9 58 | 62. 62 62 T H > S+ -60.3 -47.4 2 | 63. 63 63 K H >X S+ -42.4 -92.7 92 | 64. 64 64 K H >>>S+ -35.6 -76.4 92 | 65. 65 65 M H 3<5S+ -19.1 -41.2 34 | 66. 66 66 V H <<5S+ -82.8 -39.3 7 | 67. 67 67 E H <<5S+ -67.9 -51.2 104 | 68. 68 68 N T <5S+ -63.0 -12.8 120 | 69. 69 69 A < - -84.4 142.4 14 | 70. 70 70 K S S+ -91.3 -15.0 183 | 71. 71 71 K - -163.5 156.3 138 | 72. 72 72 I E -A -154.2 152.1 4 | 73. 73 73 E E -AB -126.6 162.5 61 | 74. 74 74 V E -A -122.2 138.3 0 | 75. 75 75 E E -A -115.2 116.2 18 | 76. 76 76 F B -G -81.9 141.9 42 | 77. 77 77 N - -72.7 -135.3 6 | 78. 78 78 K S S+ -130.3 -2.9 109 | 79. 79 79 G S S- -96.8 -140.6 18 | 80. 80 80 Q - -68.6 148.5 101 | 81. 81 81 R S S+ -82.9 -27.2 112 | 82. 82 82 T B S-H -147.1 158.7 64 | 83. 83 83 D > - -97.5 168.3 34 | 84. 84 84 K T 3 S+ -62.0 75.2 172 | 85. 85 85 Y T 3 S- -174.4 -28.1 173 | 86. 86 86 G S < S+ 105.7 -2.3 44 | 87. 87 87 R - -93.8 111.7 72 | 88. 88 88 G E -fH -70.3 151.2 2 | 89. 89 89 L E +f -116.0 129.2 29 | 90. 90 90 A E -fG -161.1 169.1 0 | 91. 91 91 Y - -90.8 28.7 0 | 92. 92 92 I - 1.8 126.2 4 | 93. 93 93 Y E -BC -108.7 143.8 13 | 94. 94 94 A E > S- C -136.1 97.4 3 | 95. 95 95 D T 3 S- 66.1 30.6 73 | 96. 96 96 G T 3 S+ 82.0 7.5 49 | 97. 97 97 K E < -C -98.3 117.8 97 | 98. 98 98 M E > -C -74.1 93.4 11 | 99. 99 99 V H > S+ -47.9 -54.8 9 | 100. 100 100 N H > S+ -50.9 -48.4 0 | 101. 101 101 E H > S+ -76.3 -45.0 38 | 102. 102 102 A H X S+ -46.5 -50.9 12 | 103. 103 103 L H <>S+ -66.2 -32.1 0 | 104. 104 104 V H ><5S+ -70.2 -46.9 0 | 105. 105 105 R H 3<5S+ -62.6 -14.2 79 | 106. 106 106 Q T 3<5S- -97.8 -7.7 76 | 107. 107 107 G T < 5S+ 81.4 17.1 0 | 108. 108 108 L S + -152.2 50.5 26 | 120. 120 120 T T 3 S+ -81.0 52.5 44 | 121. 121 121 H T 3> S+ -170.8 14.1 48 | 122. 122 122 E H X> S+ -45.0 -97.6 27 | 123. 123 123 Q H 3> S+ -19.7 -37.8 126 | 124. 124 124 H H 3> S+ -56.0 -71.3 79 | 125. 125 125 L H X S+ -61.2 -54.1 9 | 129. 129 129 E H 3< S+ -51.9 -32.8 24 | 130. 130 130 A H 3X S+ -71.3 -34.4 47 | 131. 131 131 Q H S+ -71.8 -7.9 0 | 133. 133 133 K H 45S+ -107.0 -29.0 106 | 134. 134 134 K H <5S+ -71.8 -15.7 119 | 135. 135 135 E T <5S- -111.8 -35.5 78 | 136. 136 136 K T 5 - 100.0 77.7 127 | 137. 137 137 L >< - -101.2 132.3 37 | 138. 138 138 N T >4 S+ 36.5 -116.5 46 | 139. 139 139 I T 34 S+ -37.0 -85.3 54 | 140. 140 140 W T 34 -35.3 -4.4 58 | 141. 141 141 S << -64.5 360.0 92 | |-----------------------------------------|-----------------------------------------|-----------------------------------------| #### $$$$ CC Sequence alignments - from 1 NB 1 blocks NC 120 sequences per block .........|.........|.........|.........|.........|.........|.........|.........|.........|.........|.........|.........|...... 1. A 2. T 3. S 4. T 5. K 6. K 7. L 8. H 9. K 10. E 11. P 12. A 13. T 14. L 15. I 16. K 17. A 18. I 19. D 20. G 21. D 22. T 23. V 24. K 25. L 26. M 27. Y 28. K 29. G 30. Q 31. P 32. M 33. T 34. F 35. R 36. L 37. L 38. L 39. V 40. D 41. T 42. P 43. E 44. T 45. K 46. H 47. P 48. K 49. K 50. G 51. V 52. E 53. K 54. Y 55. G 56. P 57. E 58. A 59. S 60. A 61. F 62. T 63. K 64. K 65. M 66. V 67. E 68. N 69. A 70. K 71. K 72. I 73. E 74. V 75. E 76. F 77. N 78. K 79. G 80. Q 81. R 82. T 83. D 84. K 85. Y 86. G 87. R 88. G 89. L 90. A 91. Y 92. I 93. Y 94. A 95. D 96. G 97. K 98. M 99. V 100. N 101. E 102. A 103. L 104. V 105. R 106. Q 107. G 108. L 109. A 110. K 111. V 112. A 113. Y 114. V 115. Y 116. K 117. P 118. N 119. N 120. T 121. H 122. E 123. Q 124. H 125. L 126. R 127. K 128. S 129. E 130. A 131. Q 132. A 133. K 134. K 135. E 136. K 137. L 138. N 139. I 140. W 141. S .........|.........|.........|.........|.........|.........|.........|.........|.........|.........|.........|.........|...... %%%% CC Chi angles NB 1 blocks NC 3 structures per block 2sns HSP PDB A CHI1 CHI2 CHI3 CHI4 |HSP PDB A CHI1 CHI2 CHI3 CHI4 |HSP PDB A CHI1 CHI2 CHI3 CHI4 | |-----------------------------------------|-----------------------------------------|-----------------------------------------| 1. 1 1 A -999.00-999.00-999.00-999.00 | 2. 2 2 T 65.86-999.00-999.00-999.00 | 3. 3 3 S -15.97-999.00-999.00-999.00 | 4. 4 4 T -130.97-999.00-999.00-999.00 | 5. 5 5 K -151.34 15.07-143.42 -22.60 | 6. 6 6 K -174.17 59.10 54.24-119.54 | 7. 7 7 L -47.55 178.20-999.00-999.00 | 8. 8 8 H -163.27 50.12-999.00-999.00 | 9. 9 9 K -64.22-162.61 154.74 168.38 | 10. 10 10 E -104.88 123.77 -19.53-999.00 | 11. 11 11 P -999.00-999.00-999.00-999.00 | 12. 12 12 A -999.00-999.00-999.00-999.00 | 13. 13 13 T -21.39-999.00-999.00-999.00 | 14. 14 14 L 174.47-112.12-999.00-999.00 | 15. 15 15 I -71.96-166.12-999.00-999.00 | 16. 16 16 K -138.83-125.17-140.50 73.54 | 17. 17 17 A -999.00-999.00-999.00-999.00 | 18. 18 18 I -32.92-111.91-999.00-999.00 | 19. 19 19 D 52.48 158.94-999.00-999.00 | 20. 20 20 G -999.00-999.00-999.00-999.00 | 21. 21 21 D 83.00-173.60-999.00-999.00 | 22. 22 22 T -50.20-999.00-999.00-999.00 | 23. 23 23 V -15.08-999.00-999.00-999.00 | 24. 24 24 K -80.54 176.43 -57.87-163.37 | 25. 25 25 L -65.09 176.75-999.00-999.00 | 26. 26 26 M -163.28 109.11 -98.62-999.00 | 27. 27 27 Y 161.33 72.11-999.00-999.00 | 28. 28 28 K -161.42 128.33 7.02 111.33 | 29. 29 29 G -999.00-999.00-999.00-999.00 | 30. 30 30 Q -83.53 -96.25 54.30-999.00 | 31. 31 31 P -999.00-999.00-999.00-999.00 | 32. 32 32 M -126.23-129.17 -64.37-999.00 | 33. 33 33 T 98.99-999.00-999.00-999.00 | 34. 34 34 F -91.27 84.79-999.00-999.00 | 35. 35 35 R -156.42 22.00 174.75 85.84 | 36. 36 36 L -66.59-155.59-999.00-999.00 | 37. 37 37 L -71.36 173.08-999.00-999.00 | 38. 38 38 L 22.36 85.34-999.00-999.00 | 39. 39 39 V 154.69-999.00-999.00-999.00 | 40. 40 40 D 171.09 29.04-999.00-999.00 | 41. 41 41 T 26.89-999.00-999.00-999.00 | 42. 42 42 P -999.00-999.00-999.00-999.00 | 43. 43 43 E -148.73 -4.42 85.86-999.00 | 44. 44 44 T 122.19-999.00-999.00-999.00 | 45. 45 45 K -76.86 152.82-164.77 20.54 | 46. 46 46 H -154.76 97.89-999.00-999.00 | 47. 47 47 P -999.00-999.00-999.00-999.00 | 48. 48 48 K 137.88 -66.91-124.41-177.91 | 49. 49 49 K -140.51 173.98 10.71 54.45 | 50. 50 50 G -999.00-999.00-999.00-999.00 | 51. 51 51 V 99.86-999.00-999.00-999.00 | 52. 52 52 E -78.53 132.29 -65.98-999.00 | 53. 53 53 K -95.73-111.64 93.33 177.59 | 54. 54 54 Y -54.13 -71.47-999.00-999.00 | 55. 55 55 G -999.00-999.00-999.00-999.00 | 56. 56 56 P -999.00-999.00-999.00-999.00 | 57. 57 57 E 8.03 -95.44 -20.11-999.00 | 58. 58 58 A -999.00-999.00-999.00-999.00 | 59. 59 59 S -40.42-999.00-999.00-999.00 | 60. 60 60 A -999.00-999.00-999.00-999.00 | 61. 61 61 F -170.88 87.50-999.00-999.00 | 62. 62 62 T 111.45-999.00-999.00-999.00 | 63. 63 63 K 151.40-177.50-101.50 -53.79 | 64. 64 64 K 113.41-150.51 -72.09 -29.69 | 65. 65 65 M -170.60-179.47-173.49-999.00 | 66. 66 66 V -125.89-999.00-999.00-999.00 | 67. 67 67 E -70.39-172.63 1.63-999.00 | 68. 68 68 N -87.92-166.66-999.00-999.00 | 69. 69 69 A -999.00-999.00-999.00-999.00 | 70. 70 70 K 59.13-140.13-155.07-147.61 | 71. 71 71 K 84.21-173.84 147.92 171.51 | 72. 72 72 I -61.56 142.55-999.00-999.00 | 73. 73 73 E -27.76 151.69 93.69-999.00 | 74. 74 74 V -85.58-999.00-999.00-999.00 | 75. 75 75 E -150.95-176.80-157.14-999.00 | 76. 76 76 F -83.61 120.93-999.00-999.00 | 77. 77 77 N -142.75 156.66-999.00-999.00 | 78. 78 78 K -57.55-159.43 -95.87 115.99 | 79. 79 79 G -999.00-999.00-999.00-999.00 | 80. 80 80 Q -35.67 43.21 -12.78-999.00 | 81. 81 81 R -63.01 -66.04 167.31-125.08 | 82. 82 82 T 90.80-999.00-999.00-999.00 | 83. 83 83 D 74.17 23.21-999.00-999.00 | 84. 84 84 K 100.89-140.15 143.55 171.12 | 85. 85 85 Y -86.14 118.64-999.00-999.00 | 86. 86 86 G -999.00-999.00-999.00-999.00 | 87. 87 87 R -7.18 176.15 -71.42-177.94 | 88. 88 88 G -999.00-999.00-999.00-999.00 | 89. 89 89 L -24.80 136.10-999.00-999.00 | 90. 90 90 A -999.00-999.00-999.00-999.00 | 91. 91 91 Y -39.16 -98.36-999.00-999.00 | 92. 92 92 I -63.22 90.96-999.00-999.00 | 93. 93 93 Y -72.96 -91.60-999.00-999.00 | 94. 94 94 A -999.00-999.00-999.00-999.00 | 95. 95 95 D -83.48 125.04-999.00-999.00 | 96. 96 96 G -999.00-999.00-999.00-999.00 | 97. 97 97 K -116.08 104.61 -73.40 29.08 | 98. 98 98 M -109.29-114.05-116.58-999.00 | 99. 99 99 V -172.03-999.00-999.00-999.00 | 100. 100 100 N -16.84 13.26-999.00-999.00 | 101. 101 101 E 99.84 90.56 -0.05-999.00 | 102. 102 102 A -999.00-999.00-999.00-999.00 | 103. 103 103 L -109.49 21.54-999.00-999.00 | 104. 104 104 V -179.42-999.00-999.00-999.00 | 105. 105 105 R -129.50-105.12 136.63-131.85 | 106. 106 106 Q -86.51 -43.89 -21.01-999.00 | 107. 107 107 G -999.00-999.00-999.00-999.00 | 108. 108 108 L -58.56-153.86-999.00-999.00 | 109. 109 109 A -999.00-999.00-999.00-999.00 | 110. 110 110 K -156.83 175.04 -5.63 -31.13 | 111. 111 111 V 0.03-999.00-999.00-999.00 | 112. 112 112 A -999.00-999.00-999.00-999.00 | 113. 113 113 Y -21.47 64.18-999.00-999.00 | 114. 114 114 V -6.40-999.00-999.00-999.00 | 115. 115 115 Y -47.30-115.85-999.00-999.00 | 116. 116 116 K -101.44 45.77 134.17 -15.90 | 117. 117 117 P -999.00-999.00-999.00-999.00 | 118. 118 118 N -104.89 7.52-999.00-999.00 | 119. 119 119 N 62.67 79.13-999.00-999.00 | 120. 120 120 T -85.86-999.00-999.00-999.00 | 121. 121 121 H -97.76 -25.38-999.00-999.00 | 122. 122 122 E -89.87-103.85-171.96-999.00 | 123. 123 123 Q -25.41 -38.27 45.67-999.00 | 124. 124 124 H -172.57 66.58-999.00-999.00 | 125. 125 125 L -50.44 -32.39-999.00-999.00 | 126. 126 126 R -52.81 -86.44-158.98 173.13 | 127. 127 127 K -72.93 136.17 47.42 -87.23 | 128. 128 128 S -54.68-999.00-999.00-999.00 | 129. 129 129 E -134.55-169.25-165.49-999.00 | 130. 130 130 A -999.00-999.00-999.00-999.00 | 131. 131 131 Q -172.22 65.96-172.73-999.00 | 132. 132 132 A -999.00-999.00-999.00-999.00 | 133. 133 133 K -133.14-148.31-113.32-169.68 | 134. 134 134 K 59.78-166.83 -1.77 21.32 | 135. 135 135 E 27.18-137.53-114.15-999.00 | 136. 136 136 K -2.24 -88.03 -73.38 170.67 | 137. 137 137 L -81.40 -81.40-999.00-999.00 | 138. 138 138 N -42.99 -82.98-999.00-999.00 | 139. 139 139 I -31.84-156.05-999.00-999.00 | 140. 140 140 W -42.43 125.61-999.00-999.00 | 141. 141 141 S -105.53-999.00-999.00-999.00 | |-----------------------------------------|-----------------------------------------|-----------------------------------------| END.