==== 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 1GBE . 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) . 7920.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 67.2 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 . 81 40.9 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 . 1 0.5 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 2 3 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 54 0, 0.0 73,-2.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 154.4 22.6 11.8 6.4 2 15BA N E -a 74 0A 96 71,-0.2 2,-0.6 73,-0.0 73,-0.2 -0.815 360.0-137.1 -88.1 128.9 25.8 13.7 6.1 3 16 A I E +a 75 0A 0 71,-3.2 73,-1.5 -2,-0.5 75,-0.3 -0.893 35.9 160.6 -96.3 119.7 25.9 16.3 8.9 4 17 A V E > - 0 0 14 -2,-0.6 3,-1.3 71,-0.1 15,-0.3 -0.958 45.4 -98.7-138.8 139.0 27.1 19.6 7.5 5 18 A G E 3 S+a 79 0A 0 73,-3.2 75,-3.0 -2,-0.3 15,-0.2 -0.365 103.9 29.0 -62.5 136.8 26.7 23.1 9.2 6 19 A G T 3 S+ 0 0 4 13,-2.7 -1,-0.2 1,-0.3 99,-0.2 0.262 85.8 127.8 103.6 -14.3 23.8 25.1 7.7 7 31 A I < - 0 0 48 -3,-1.3 12,-2.1 97,-0.1 -1,-0.3 -0.313 60.5-102.6 -83.6 166.5 21.4 22.4 6.6 8 32 A E E +C 18 0B 83 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.533 39.0 169.8 -83.6 143.0 17.7 22.0 7.5 9 33 A Y E -C 17 0B 1 8,-1.9 8,-1.7 -2,-0.2 2,-0.3 -0.976 24.0-132.5-142.5 152.7 16.4 19.5 10.0 10 34 A S E -CD 16 45B 20 35,-2.3 35,-1.9 -2,-0.3 2,-0.5 -0.770 6.8-141.3-104.9 162.6 12.9 19.3 11.5 11 35 A I E >> S-CD 15 44B 8 4,-2.3 3,-2.2 -2,-0.3 4,-1.0 -0.982 81.6 -19.9-121.1 123.0 11.9 18.9 15.1 12 36 A N T 34 S- 0 0 88 31,-2.6 -1,-0.2 -2,-0.5 32,-0.1 0.844 118.2 -64.1 49.8 43.4 9.0 16.6 15.9 13 38 A N T 34 S+ 0 0 118 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.719 130.2 65.6 55.0 27.9 7.8 16.7 12.3 14 39 A A T <4 S+ 0 0 76 -3,-2.2 -2,-0.2 1,-0.4 2,-0.1 0.571 79.6 47.7-142.3 -75.9 7.0 20.5 12.7 15 40 A S E < -C 11 0B 74 -4,-1.0 -4,-2.3 22,-0.1 -1,-0.4 -0.537 64.0-144.0 -79.3 158.4 9.5 23.4 13.3 16 41 A L E +C 10 0B 62 -6,-0.2 2,-0.3 -2,-0.1 125,-0.2 -0.868 25.1 159.7-116.0 152.9 12.7 23.7 11.1 17 42 A a E -C 9 0B 4 -8,-1.7 -8,-1.9 -2,-0.3 2,-0.3 -0.883 35.2-104.9-153.0-174.9 16.1 24.9 12.2 18 43 A S E -C 8 0B 0 125,-2.4 16,-0.3 -2,-0.3 -10,-0.2 -0.867 31.7-104.1-124.8 150.1 19.6 24.5 10.7 19 44 A V - 0 0 0 -12,-2.1 -13,-2.7 -2,-0.3 127,-0.7 -0.472 28.2-167.0 -71.1 142.4 22.5 22.4 11.8 20 44AA G - 0 0 0 12,-1.6 2,-0.3 1,-0.3 126,-0.3 0.861 55.8 -30.7 -94.4 -72.6 25.3 24.3 13.7 21 45 A F E -E 32 0B 4 11,-1.0 11,-2.2 -16,-0.1 -1,-0.3 -0.994 54.3-108.7-152.8 149.5 28.3 22.0 13.9 22 46 A S E +E 31 0B 4 54,-0.4 174,-2.2 -2,-0.3 2,-0.3 -0.565 45.3 165.7 -76.2 136.6 29.3 18.4 14.2 23 47 A V E -EF 30 195B 0 7,-2.3 7,-2.2 -2,-0.3 2,-0.3 -0.936 23.7-143.8-145.3 164.9 30.7 17.4 17.5 24 48 A T E -EF 29 194B 46 170,-2.2 170,-2.4 -2,-0.3 2,-0.3 -0.919 6.5-160.9-128.7 160.0 31.4 14.3 19.4 25 48AA R E > S-E 28 0B 128 3,-2.2 3,-2.3 1,-0.5 168,-0.1 -0.800 73.7 -60.6-139.3 89.9 31.2 13.4 23.1 26 48BA G T 3 S- 0 0 67 1,-0.3 -1,-0.5 -2,-0.3 168,-0.1 -0.421 122.1 -13.7 66.5-132.5 33.4 10.4 23.4 27 48CA A T 3 S+ 0 0 107 -3,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.460 116.4 97.7 -75.6 -5.4 31.9 7.9 21.1 28 49 A T E < -E 25 0B 60 -3,-2.3 -3,-2.2 40,-0.0 2,-0.2 -0.763 62.8-146.5 -90.4 138.0 28.5 9.7 20.6 29 50 A K E +EG 24 69B 60 40,-0.6 40,-2.4 -2,-0.4 2,-0.3 -0.635 32.5 142.7 -89.4 155.6 28.1 11.8 17.5 30 51 A G E -EG 23 68B 0 -7,-2.2 -7,-2.3 38,-0.2 2,-0.3 -0.983 37.8-125.1-168.4-176.9 26.0 15.0 17.5 31 52 A F E -EG 22 67B 0 36,-1.3 36,-2.2 -2,-0.3 2,-0.3 -0.993 22.8-125.0-140.9 148.7 25.6 18.6 16.3 32 53 A V E +EG 21 66B 0 -11,-2.2 -12,-1.6 -2,-0.3 -11,-1.0 -0.695 39.0 154.9 -91.7 152.4 25.1 21.8 18.3 33 54 A T E - G 0 65B 0 32,-2.1 32,-1.6 -2,-0.3 2,-0.4 -0.816 46.9 -58.5-160.6-169.6 22.2 24.0 17.6 34 55 A A > - 0 0 0 -16,-0.3 3,-1.7 30,-0.2 30,-0.3 -0.686 37.5-137.9 -93.4 136.4 19.9 26.6 19.1 35 56 A G G > S+ 0 0 0 -2,-0.4 3,-1.2 23,-0.4 24,-0.2 0.810 99.7 62.0 -65.8 -26.8 18.1 25.6 22.3 36 57 A H G 3 S+ 0 0 61 1,-0.3 -1,-0.3 22,-0.2 3,-0.1 0.511 88.2 77.6 -76.2 -7.3 14.8 27.3 21.3 37 58 A a G < S- 0 0 7 -3,-1.7 2,-0.3 1,-0.1 -1,-0.3 0.723 110.9 -16.1 -74.2 -21.9 14.6 24.9 18.3 38 59 A G < - 0 0 8 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.1 -0.981 63.8-113.8-166.7 176.1 13.5 21.8 20.4 39 59AA T > - 0 0 72 -2,-0.3 3,-2.2 1,-0.1 15,-0.3 -0.795 58.3 -62.0-118.7 168.8 13.1 20.5 23.9 40 59BA V T 3 S+ 0 0 69 -2,-0.3 15,-0.2 1,-0.3 -1,-0.1 -0.139 123.6 12.1 -58.0 136.6 15.0 17.5 25.4 41 60 A N T 3 S+ 0 0 119 13,-2.9 -1,-0.3 1,-0.2 14,-0.1 0.434 86.7 146.8 69.6 8.8 14.2 14.3 23.6 42 61 A A < - 0 0 4 -3,-2.2 12,-2.2 1,-0.1 2,-0.5 -0.417 53.4-110.6 -64.0 147.7 12.5 16.0 20.7 43 62 A T E - H 0 53B 37 10,-0.2 -31,-2.6 -3,-0.1 -30,-0.4 -0.734 28.7-158.5 -91.2 126.5 13.1 14.0 17.4 44 64 A A E -DH 11 52B 0 8,-2.2 7,-2.1 -2,-0.5 8,-1.1 -0.818 10.3-170.1-105.5 145.9 15.3 15.6 14.8 45 65 A R E -DH 10 50B 45 -35,-1.9 -35,-2.3 -2,-0.4 2,-0.5 -0.993 14.1-161.4-138.2 144.0 15.0 14.6 11.2 46 66 A I E > S- H 0 49B 22 3,-2.8 3,-1.8 -2,-0.4 -37,-0.1 -0.982 81.2 -13.2-129.5 121.8 17.0 15.2 8.1 47 67 A G T 3 S- 0 0 85 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.889 131.3 -49.8 62.7 43.0 15.5 14.6 4.7 48 81 A G T 3 S+ 0 0 70 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.228 117.6 109.0 81.5 -10.5 12.6 12.8 6.1 49 82 A A E < S-H 46 0B 54 -3,-1.8 -3,-2.8 1,-0.0 2,-0.3 -0.783 72.7-116.8-105.8 145.1 14.8 10.4 8.3 50 83 A V E +H 45 0B 77 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.563 35.4 170.0 -68.5 125.2 15.3 10.4 12.0 51 84 A V E - 0 0 1 -7,-2.1 19,-2.3 1,-0.3 2,-0.3 0.630 56.2 -49.0-112.5 -20.6 18.9 11.2 12.8 52 85 A G E -HI 44 69B 6 -8,-1.1 -8,-2.2 17,-0.3 -1,-0.3 -0.969 53.5 -96.2 171.9-170.2 18.8 11.7 16.6 53 87 A T E -HI 43 68B 50 15,-1.8 15,-2.3 -2,-0.3 -10,-0.2 -0.968 42.7 -89.8-139.0 156.1 17.1 13.4 19.6 54 88 A F E - I 0 67B 0 -12,-2.2 -13,-2.9 -15,-0.3 13,-0.3 -0.509 39.0-176.1 -63.5 126.9 17.7 16.6 21.6 55 88AA A E - 0 0 34 11,-2.6 2,-0.3 1,-0.4 -1,-0.2 0.790 62.4 -12.2 -96.5 -33.8 20.0 15.6 24.5 56 89 A A E + I 0 66B 22 10,-1.1 10,-1.5 -17,-0.1 -1,-0.4 -0.962 62.7 171.7-161.1 155.2 20.2 18.9 26.4 57 90 A R E - I 0 65B 76 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.959 19.6-152.7-161.2 162.9 19.3 22.6 25.9 58 91 A V E + I 0 64B 41 6,-2.5 6,-2.5 -2,-0.3 -23,-0.4 -0.951 25.3 176.5-145.9 121.3 19.0 25.8 27.7 59 94 A F + 0 0 22 -2,-0.4 2,-0.2 4,-0.2 4,-0.2 -0.771 55.0 23.3-169.2 133.9 16.6 28.4 26.5 60 95 A P S S+ 0 0 47 0, 0.0 2,-1.5 0, 0.0 68,-0.2 0.628 121.5 39.0 -79.8-155.2 15.8 31.1 27.5 61 100 A G B S+j 128 0C 35 66,-2.8 68,-2.9 -2,-0.2 2,-0.2 -0.612 138.4 11.3 90.6 -67.0 18.7 32.7 29.6 62 101 A N S S- 0 0 54 -2,-1.5 2,-0.2 66,-0.2 68,-0.1 -0.659 78.6-138.7-122.5 175.7 21.0 31.1 27.1 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.2 -4,-0.2 -0.671 52.2 117.2-142.7 90.2 20.0 29.6 23.7 64 103 A R E + I 0 58B 19 -6,-2.5 -6,-2.5 -30,-0.3 2,-0.3 -0.985 23.9 159.2-156.4 154.8 22.0 26.3 23.1 65 104 A A E -GI 33 57B 0 -32,-1.6 -32,-2.1 -2,-0.3 2,-0.3 -0.952 21.9-145.9-165.5 165.4 21.4 22.6 22.6 66 105 A W E -GI 32 56B 14 -10,-1.5 -11,-2.6 -2,-0.3 -10,-1.1 -0.974 13.4-145.7-144.8 142.7 23.1 19.5 21.1 67 106 A V E -GI 31 54B 0 -36,-2.2 -36,-1.3 -2,-0.3 2,-0.5 -0.961 15.2-134.5-107.6 124.8 21.3 16.6 19.4 68 107 A S E -GI 30 53B 31 -15,-2.3 -15,-1.8 -2,-0.5 -38,-0.2 -0.761 25.3-152.2 -90.6 130.0 22.8 13.1 19.8 69 108 A L E -GI 29 52B 12 -40,-2.4 -40,-0.6 -2,-0.5 -17,-0.3 -0.584 15.6-108.0 -95.9 154.6 22.9 11.3 16.6 70 109 A T > - 0 0 69 -19,-2.3 3,-1.9 -2,-0.2 -1,-0.1 -0.460 39.7-103.1 -71.7 162.5 22.7 7.6 15.8 71 110 A S T 3 S+ 0 0 106 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.589 115.1 72.2 -61.5 -16.1 25.9 5.9 14.6 72 111 A A T 3 S+ 0 0 74 -21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.652 77.0 97.4 -76.6 -18.0 24.7 5.9 11.1 73 112 A Q < - 0 0 12 -3,-1.9 2,-0.6 -22,-0.2 -71,-0.2 -0.397 69.7-136.9 -75.0 151.6 25.1 9.6 10.7 74 113 A T E -a 2 0A 65 -73,-2.2 -71,-3.2 -2,-0.1 2,-0.3 -0.947 14.4-150.7-119.1 106.6 28.3 11.0 9.1 75 114 A L E -a 3 0A 27 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.0 -0.641 16.3-169.9 -76.5 135.2 29.8 13.9 10.9 76 119 A L E - 0 0 32 -73,-1.5 2,-1.7 -2,-0.3 -54,-0.4 -0.985 31.0-131.9-130.3 141.5 31.7 16.3 8.6 77 120 A P E S+ 0 0 16 0, 0.0 11,-2.9 0, 0.0 2,-0.3 -0.150 75.0 106.9 -76.0 43.1 33.9 19.3 9.4 78 120AA R E - B 0 87A 94 -2,-1.7 -73,-3.2 -75,-0.3 2,-0.4 -0.893 54.4-156.5-132.8 155.8 32.0 21.5 6.9 79 120BA V E -aB 5 86A 0 7,-1.9 7,-2.1 -2,-0.3 2,-0.2 -0.977 36.0-113.9-125.2 135.6 29.6 24.3 6.7 80 120CA A E + B 0 85A 20 -75,-3.0 2,-0.3 -2,-0.4 5,-0.2 -0.486 32.1 177.1 -77.6 137.5 27.5 24.6 3.5 81 120DA N E > - 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