==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE PROTEINASE) 06-SEP-95 1GBA . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR J.E.MACE,D.A.AGARD . 198 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7914.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 40.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 9 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 3 2 3 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 15AA A 0 0 53 0, 0.0 73,-2.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 157.4 22.7 11.8 6.4 2 15BA N E -a 74 0A 94 71,-0.2 2,-0.7 73,-0.0 73,-0.2 -0.836 360.0-136.6 -90.8 130.4 25.9 13.8 6.1 3 16 A I E +a 75 0A 0 71,-2.9 73,-1.8 -2,-0.5 75,-0.4 -0.859 35.5 162.5 -99.2 112.6 25.9 16.4 8.9 4 17 A V E > - 0 0 15 -2,-0.7 3,-1.4 71,-0.1 15,-0.3 -0.960 44.2-101.1-131.3 139.8 27.1 19.7 7.5 5 18 A G E 3 S+a 79 0A 0 73,-3.1 75,-3.2 -2,-0.3 15,-0.2 -0.355 103.1 30.5 -63.3 137.2 26.7 23.1 9.2 6 19 A G T 3 S+ 0 0 4 13,-2.9 -1,-0.2 1,-0.3 102,-0.1 0.167 86.3 124.5 107.6 -17.3 23.9 25.1 7.7 7 31 A I < - 0 0 43 -3,-1.4 12,-2.3 97,-0.1 -1,-0.3 -0.274 61.4-100.4 -84.2 164.9 21.5 22.4 6.6 8 32 A E E +C 18 0B 81 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.563 38.2 168.1 -81.9 144.2 17.8 22.0 7.5 9 33 A Y E -C 17 0B 1 8,-1.6 8,-1.7 -2,-0.2 2,-0.2 -0.964 24.5-134.7-144.3 148.1 16.5 19.5 10.0 10 34 A S E -CD 16 45B 18 35,-2.3 35,-2.2 -2,-0.3 2,-0.4 -0.708 8.1-139.0-103.1 165.6 12.9 19.3 11.5 11 35 A I E >> S-CD 15 44B 8 4,-2.1 3,-2.4 -2,-0.2 4,-0.6 -0.987 80.5 -19.3-125.4 122.6 11.9 18.9 15.1 12 36 A N T 34 S- 0 0 87 31,-2.2 -1,-0.1 -2,-0.4 32,-0.1 0.851 118.5 -67.2 46.6 38.8 8.9 16.6 16.0 13 38 A N T 34 S+ 0 0 117 30,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.724 128.7 68.0 58.3 28.1 7.8 16.9 12.4 14 39 A A T <4 S+ 0 0 75 -3,-2.4 -2,-0.2 1,-0.4 -1,-0.1 0.425 79.9 48.8-137.5 -84.8 6.9 20.6 12.7 15 40 A S E < -C 11 0B 75 -4,-0.6 -4,-2.1 22,-0.1 -1,-0.4 -0.202 63.4-145.8 -66.1 159.9 9.5 23.4 13.3 16 41 A L E +C 10 0B 64 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.922 24.0 161.0-121.6 147.7 12.6 23.8 11.1 17 42 A a E -C 9 0B 5 -8,-1.7 -8,-1.6 -2,-0.3 2,-0.3 -0.865 35.6-104.6-149.5-176.8 16.0 25.0 12.2 18 43 A S E -C 8 0B 0 125,-2.7 16,-0.3 -2,-0.3 -10,-0.2 -0.899 31.3-106.6-122.9 148.2 19.5 24.7 10.8 19 44 A V - 0 0 0 -12,-2.3 -13,-2.9 -2,-0.3 127,-0.8 -0.483 27.7-166.7 -66.0 136.8 22.4 22.5 11.9 20 44AA G - 0 0 0 12,-1.6 2,-0.3 125,-0.3 126,-0.3 0.905 55.5 -27.6 -90.4 -71.0 25.2 24.4 13.6 21 45 A F E -E 32 0B 3 11,-1.2 11,-2.3 -16,-0.1 -1,-0.3 -0.998 55.0-107.8-154.8 141.6 28.3 22.1 13.9 22 46 A S E +E 31 0B 4 54,-0.5 174,-2.3 -2,-0.3 2,-0.3 -0.535 45.3 170.0 -65.4 131.9 29.3 18.4 14.1 23 47 A V E -EF 30 195B 0 7,-2.5 7,-2.5 -2,-0.3 2,-0.3 -0.930 22.9-148.4-140.2 156.1 30.6 17.5 17.5 24 48 A T E -EF 29 194B 48 170,-2.1 170,-2.7 -2,-0.3 2,-0.3 -0.908 3.6-164.6-119.5 155.1 31.5 14.3 19.3 25 48AA R E > S-E 28 0B 120 3,-2.6 3,-2.2 -2,-0.3 168,-0.1 -0.817 72.6 -54.8-132.1 98.9 31.1 13.6 23.0 26 48BA G T 3 S- 0 0 72 -2,-0.3 -1,-0.3 1,-0.3 168,-0.1 -0.474 123.3 -19.1 64.5-136.1 33.3 10.4 23.6 27 48CA A T 3 S+ 0 0 105 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.499 118.1 103.6 -75.3 -5.2 31.9 7.9 21.1 28 49 A T E < -E 25 0B 62 -3,-2.2 -3,-2.6 40,-0.0 2,-0.3 -0.668 61.0-147.9 -87.2 135.9 28.6 9.8 20.7 29 50 A K E +EG 24 69B 61 40,-0.6 40,-2.7 -2,-0.4 2,-0.3 -0.687 32.5 143.2 -92.1 148.1 28.1 11.8 17.5 30 51 A G E -EG 23 68B 0 -7,-2.5 -7,-2.5 -2,-0.3 2,-0.4 -0.969 37.8-127.7-163.0-178.9 25.9 15.0 17.7 31 52 A F E -EG 22 67B 0 36,-1.4 36,-2.3 -2,-0.3 2,-0.3 -0.996 21.4-126.6-139.7 145.1 25.6 18.5 16.4 32 53 A V E +EG 21 66B 0 -11,-2.3 -12,-1.6 -2,-0.4 -11,-1.2 -0.686 39.8 153.6 -85.8 153.1 25.2 21.8 18.3 33 54 A T E - G 0 65B 0 32,-1.8 32,-1.4 -2,-0.3 2,-0.3 -0.829 48.4 -55.2-160.4-174.7 22.2 24.0 17.5 34 55 A A > - 0 0 0 -16,-0.3 3,-1.4 -2,-0.2 4,-0.4 -0.586 38.4-135.0 -80.5 141.2 20.0 26.7 19.1 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.1 1,-0.3 24,-0.2 0.862 102.0 61.2 -61.1 -38.4 18.2 25.8 22.4 36 57 A H G 3 S+ 0 0 66 1,-0.2 -1,-0.3 22,-0.2 3,-0.1 0.601 87.0 77.5 -66.5 -11.4 14.8 27.3 21.3 37 58 A a G < S- 0 0 8 -3,-1.4 2,-0.3 1,-0.1 -1,-0.2 0.850 109.3 -11.9 -71.7 -30.1 14.7 24.9 18.4 38 59 A G < - 0 0 8 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.1 -0.973 61.1-116.3-159.7 170.5 13.5 21.9 20.5 39 59AA T > - 0 0 76 -2,-0.3 3,-2.1 1,-0.2 15,-0.3 -0.721 59.7 -67.1-104.8 167.6 13.0 20.5 24.0 40 59BA V T 3 S+ 0 0 66 1,-0.3 15,-0.2 -2,-0.3 -1,-0.2 -0.182 122.2 17.2 -60.3 139.2 14.9 17.5 25.4 41 60 A N T 3 S+ 0 0 124 13,-2.8 -1,-0.3 1,-0.3 14,-0.1 0.363 84.6 143.8 75.1 7.2 14.0 14.3 23.7 42 61 A A < - 0 0 3 -3,-2.1 12,-2.2 12,-0.1 2,-0.4 -0.439 55.1-114.9 -67.6 146.2 12.4 16.0 20.6 43 62 A T E - H 0 53B 39 10,-0.2 -31,-2.2 -3,-0.1 2,-0.4 -0.728 24.6-151.1 -90.0 130.1 13.2 13.9 17.5 44 64 A A E -DH 11 52B 0 8,-3.0 7,-2.5 -2,-0.4 8,-1.2 -0.827 13.4-168.2-102.0 137.8 15.4 15.6 14.8 45 65 A R E -DH 10 50B 47 -35,-2.2 -35,-2.3 -2,-0.4 2,-0.5 -0.978 12.0-166.4-124.3 142.8 14.9 14.6 11.2 46 66 A I E > S- H 0 49B 21 3,-2.8 3,-1.4 -2,-0.4 -37,-0.1 -0.982 81.5 -10.2-128.2 119.9 16.9 15.3 8.1 47 67 A G T 3 S- 0 0 84 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.930 130.4 -54.5 63.7 45.3 15.4 14.6 4.7 48 81 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.321 116.5 111.1 75.5 -8.9 12.5 12.9 6.3 49 82 A A E < S-H 46 0B 55 -3,-1.4 -3,-2.8 1,-0.0 2,-0.3 -0.816 73.3-116.4-102.8 139.0 14.7 10.4 8.3 50 83 A V E +H 45 0B 72 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.501 36.2 171.0 -65.8 121.8 15.2 10.4 12.0 51 84 A V E - 0 0 1 -7,-2.5 19,-2.4 1,-0.4 2,-0.3 0.681 55.1 -51.9-109.9 -22.6 18.8 11.2 12.7 52 85 A G E -HI 44 69B 5 -8,-1.2 -8,-3.0 17,-0.3 -1,-0.4 -0.988 52.7 -90.3 173.7-167.5 18.7 11.7 16.5 53 87 A T E -HI 43 68B 52 15,-2.3 15,-2.5 -2,-0.3 2,-0.4 -0.948 41.0 -95.1-134.2 155.3 17.1 13.4 19.6 54 88 A F E - I 0 67B 0 -12,-2.2 -13,-2.8 -15,-0.3 13,-0.3 -0.553 38.1-174.4 -65.4 117.3 17.7 16.7 21.6 55 88AA A E - 0 0 35 11,-2.6 2,-0.3 -2,-0.4 -1,-0.2 0.815 62.0 -12.9 -86.2 -33.2 20.0 15.6 24.5 56 89 A A E + I 0 66B 20 10,-1.2 10,-1.7 -17,-0.1 -1,-0.3 -0.972 63.6 174.5-161.6 156.0 20.1 18.8 26.4 57 90 A R E - I 0 65B 73 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.975 20.0-150.4-162.9 161.8 19.3 22.5 26.0 58 91 A V E + I 0 64B 35 6,-2.2 6,-2.0 -2,-0.3 -23,-0.3 -0.927 25.4 179.2-140.8 117.2 19.1 25.8 27.7 59 94 A F + 0 0 26 -2,-0.4 2,-0.2 4,-0.2 4,-0.1 -0.846 55.5 19.9-160.0 135.3 16.5 28.4 26.6 60 95 A P S S+ 0 0 48 0, 0.0 2,-1.6 0, 0.0 68,-0.2 0.551 121.4 39.4 -80.4-154.5 15.8 31.2 27.5 61 100 A G B S+j 128 0C 33 66,-2.3 68,-2.8 -2,-0.2 2,-0.2 -0.590 136.3 12.0 90.7 -71.0 18.8 32.7 29.6 62 101 A N S S- 0 0 55 -2,-1.6 2,-0.1 66,-0.2 68,-0.1 -0.542 78.7-139.0-115.6-177.1 21.2 31.1 27.1 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.1 -4,-0.2 -0.556 51.5 120.1-146.5 87.8 20.1 29.6 23.8 64 103 A R E + I 0 58B 19 -6,-2.0 -6,-2.2 -30,-0.3 2,-0.3 -0.950 23.9 162.2-150.8 152.0 22.1 26.4 23.1 65 104 A A E -GI 33 57B 0 -32,-1.4 -32,-1.8 -2,-0.3 2,-0.4 -0.969 20.6-147.4-160.3 162.7 21.4 22.7 22.6 66 105 A W E -GI 32 56B 12 -10,-1.7 -11,-2.6 -2,-0.3 -10,-1.2 -0.990 11.4-146.7-139.6 144.3 23.0 19.5 21.2 67 106 A V E -GI 31 54B 0 -36,-2.3 -36,-1.4 -2,-0.4 2,-0.5 -0.944 14.1-137.6-106.0 121.9 21.3 16.7 19.4 68 107 A S E -GI 30 53B 31 -15,-2.5 -15,-2.3 -2,-0.5 2,-0.3 -0.770 24.9-153.1 -89.7 130.4 22.7 13.1 19.9 69 108 A L E -GI 29 52B 13 -40,-2.7 -40,-0.6 -2,-0.5 -17,-0.3 -0.684 15.3-107.8-101.3 151.8 22.8 11.3 16.7 70 109 A T > - 0 0 69 -19,-2.4 3,-1.4 -2,-0.3 -1,-0.1 -0.282 40.9-100.6 -72.0 166.0 22.6 7.6 15.9 71 110 A S T 3 S+ 0 0 104 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.621 113.1 69.4 -64.1 -17.3 25.8 5.9 14.7 72 111 A A T 3 S+ 0 0 79 -21,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.542 76.5 100.9 -80.4 -9.4 24.8 5.9 11.0 73 112 A Q < - 0 0 13 -3,-1.4 2,-0.7 -22,-0.2 -71,-0.2 -0.461 68.4-138.7 -81.2 147.2 25.2 9.7 10.6 74 113 A T E -a 2 0A 65 -73,-2.2 -71,-2.9 -2,-0.1 2,-0.3 -0.949 13.6-151.4-111.7 108.7 28.4 10.9 9.1 75 114 A L E -a 3 0A 27 -2,-0.7 -71,-0.1 -73,-0.2 -44,-0.0 -0.693 16.1-168.5 -80.9 136.3 29.7 14.0 10.9 76 119 A L E - 0 0 38 -73,-1.8 2,-1.6 -2,-0.3 -54,-0.5 -0.959 30.0-128.5-130.4 146.2 31.7 16.3 8.6 77 120 A P E S+ 0 0 15 0, 0.0 11,-2.6 0, 0.0 2,-0.3 -0.232 75.6 104.2 -82.2 47.6 33.9 19.2 9.5 78 120AA R E - B 0 87A 92 -2,-1.6 -73,-3.1 -75,-0.4 2,-0.4 -0.936 55.3-153.1-137.5 154.9 32.1 21.5 7.0 79 120BA V E -aB 5 86A 0 7,-1.9 7,-2.3 -2,-0.3 -73,-0.2 -0.977 37.2-109.6-121.5 139.1 29.6 24.4 6.8 80 120CA A E + B 0 85A 19 -75,-3.2 2,-0.3 -2,-0.4 5,-0.2 -0.399 33.1 176.9 -74.8 134.8 27.5 24.7 3.6 81 120DA N E > - 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