==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 06-SEP-95 1GBK . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR J.E.MACE,D.A.AGARD . 201 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7887.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 68.2 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 40.3 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 . 12 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.0 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 . 2 3 2 4 2 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 1 1 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 55 0, 0.0 73,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 151.5 22.7 11.8 6.4 2 15BA N E -a 74 0A 93 71,-0.2 2,-0.8 73,-0.0 73,-0.2 -0.824 360.0-135.3 -88.6 121.2 25.9 13.7 6.1 3 16 A I E +a 75 0A 0 71,-3.3 73,-1.4 -2,-0.5 2,-0.3 -0.806 34.7 166.2 -90.1 112.7 25.9 16.3 8.8 4 17 A V E > - 0 0 15 -2,-0.8 3,-1.4 71,-0.1 15,-0.2 -0.942 41.9-102.7-124.2 142.4 27.1 19.7 7.4 5 18 A G E 3 S+a 79 0A 0 73,-2.8 75,-2.9 -2,-0.3 15,-0.2 -0.396 104.3 27.3 -65.3 136.5 26.7 23.1 9.2 6 19 A G T 3 S+ 0 0 4 13,-3.1 -1,-0.2 1,-0.3 102,-0.1 0.339 86.8 126.7 98.5 -11.2 23.8 25.1 7.8 7 31 A I < - 0 0 45 -3,-1.4 12,-2.4 97,-0.1 -1,-0.3 -0.414 61.8-102.2 -83.8 157.7 21.5 22.3 6.5 8 32 A E E +C 18 0B 83 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.482 39.1 171.1 -75.2 147.1 17.8 22.0 7.4 9 33 A Y E -C 17 0B 1 8,-1.9 8,-2.5 -2,-0.2 2,-0.3 -0.967 23.3-131.2-147.3 156.7 16.5 19.6 9.9 10 34 A S E -CD 16 45B 20 35,-2.2 35,-2.4 -2,-0.3 2,-0.5 -0.842 7.2-141.7-110.8 153.8 13.0 19.3 11.5 11 35 A I E >> S-CD 15 44B 7 4,-2.5 3,-1.9 -2,-0.3 4,-0.9 -0.942 80.6 -21.1-118.7 120.3 11.9 19.0 15.1 12 36 A N T 34 S- 0 0 86 31,-2.6 -1,-0.2 -2,-0.5 32,-0.1 0.826 115.9 -67.1 49.1 39.3 9.0 16.7 15.8 13 38 A N T 34 S+ 0 0 117 30,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.743 129.9 68.1 58.4 30.1 7.7 16.9 12.3 14 39 A A T <4 S+ 0 0 78 -3,-1.9 -2,-0.2 1,-0.4 -1,-0.1 0.429 81.7 48.4-138.8 -80.2 6.9 20.6 12.7 15 40 A S E < -C 11 0B 71 -4,-0.9 -4,-2.5 22,-0.1 -1,-0.4 -0.333 63.2-143.6 -73.3 155.8 9.5 23.3 13.2 16 41 A L E +C 10 0B 66 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.912 23.5 166.0-114.1 141.0 12.6 23.7 11.0 17 42 A a E -C 9 0B 5 -8,-2.5 -8,-1.9 -2,-0.4 2,-0.4 -0.855 32.1-111.6-138.5 178.8 16.0 24.8 12.2 18 43 A S E -C 8 0B 0 125,-3.0 16,-0.3 -2,-0.3 -10,-0.2 -0.903 31.8-107.4-117.1 146.4 19.5 24.7 10.7 19 44 A V - 0 0 0 -12,-2.4 -13,-3.1 -2,-0.4 127,-0.9 -0.506 26.9-166.4 -67.9 138.3 22.5 22.5 11.8 20 44AA G - 0 0 0 12,-1.8 126,-0.3 125,-0.3 2,-0.3 0.904 56.4 -27.2 -90.0 -80.1 25.3 24.4 13.7 21 45 A F E -E 32 0B 2 11,-0.9 11,-2.3 -16,-0.1 -1,-0.3 -0.999 54.3-112.5-142.8 142.2 28.4 22.2 13.9 22 46 A S E +E 31 0B 5 54,-0.5 174,-2.3 -2,-0.3 2,-0.3 -0.498 47.4 165.4 -64.5 135.3 29.3 18.4 14.0 23 47 A V E -EF 30 195B 0 7,-2.4 7,-2.1 172,-0.2 2,-0.3 -0.929 25.4-139.9-145.2 165.0 30.7 17.5 17.4 24 48 A T E -EF 29 194B 48 170,-2.2 170,-2.6 -2,-0.3 2,-0.3 -0.941 7.1-163.8-129.2 157.8 31.5 14.4 19.4 25 48AA R E > S-E 28 0B 122 3,-2.3 3,-2.2 1,-0.3 2,-0.1 -0.814 73.3 -59.2-138.3 87.7 31.1 13.5 23.0 26 48BA G T 3 S- 0 0 69 1,-0.3 -1,-0.3 -2,-0.3 168,-0.1 -0.469 122.1 -16.3 67.9-134.4 33.3 10.5 23.5 27 48CA A T 3 S+ 0 0 109 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.504 117.0 104.2 -75.8 -1.6 31.9 7.9 21.1 28 49 A T E < -E 25 0B 59 -3,-2.2 -3,-2.3 40,-0.0 2,-0.3 -0.707 61.5-146.8 -89.5 131.2 28.6 9.8 20.6 29 50 A K E +E 24 0B 59 40,-0.4 40,-2.5 -2,-0.4 2,-0.3 -0.652 34.2 143.3 -83.7 145.1 28.1 11.8 17.4 30 51 A G E -EG 23 68B 0 -7,-2.1 -7,-2.4 -2,-0.3 2,-0.3 -0.965 37.7-127.2-163.0 179.4 26.1 15.0 17.6 31 52 A F E -EG 22 67B 0 36,-1.7 36,-2.3 -2,-0.3 2,-0.3 -0.996 20.0-127.0-139.8 144.9 25.5 18.5 16.4 32 53 A V E +EG 21 66B 0 -11,-2.3 -12,-1.8 -2,-0.3 -11,-0.9 -0.654 39.9 153.1 -83.5 144.5 25.2 21.8 18.2 33 54 A T E - G 0 65B 0 32,-2.2 32,-1.6 -2,-0.3 2,-0.2 -0.843 48.2 -58.5-153.1-173.4 22.1 24.0 17.4 34 55 A A > - 0 0 0 -16,-0.3 3,-1.2 -2,-0.2 4,-0.3 -0.599 37.0-134.0 -82.6 145.6 19.9 26.6 19.1 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.2 1,-0.3 24,-0.2 0.878 103.3 59.4 -61.0 -40.4 18.1 25.8 22.4 36 57 A H G 3 S+ 0 0 40 1,-0.2 -1,-0.3 22,-0.2 3,-0.1 0.566 87.6 78.9 -70.7 -7.9 14.8 27.3 21.2 37 58 A a G < S- 0 0 8 -3,-1.2 2,-0.3 1,-0.2 -1,-0.2 0.809 109.2 -17.7 -70.8 -26.9 14.7 24.9 18.3 38 59 A G < - 0 0 9 -3,-1.2 2,-0.2 -4,-0.3 -1,-0.2 -0.990 61.8-110.7-167.0 168.5 13.5 21.9 20.4 39 59AA T > - 0 0 73 -2,-0.3 3,-2.5 1,-0.2 15,-0.4 -0.680 58.9 -65.6-102.4 169.3 13.1 20.5 23.9 40 59BA V T 3 S+ 0 0 68 1,-0.3 15,-0.2 -2,-0.2 -1,-0.2 -0.180 123.1 14.3 -59.7 139.1 14.9 17.5 25.3 41 60 A N T 3 S+ 0 0 119 13,-2.9 -1,-0.3 1,-0.3 14,-0.1 0.385 85.9 146.4 70.4 6.1 14.1 14.3 23.6 42 61 A A < - 0 0 3 -3,-2.5 12,-2.0 1,-0.1 2,-0.5 -0.384 53.3-114.6 -63.1 144.0 12.5 16.0 20.6 43 62 A T E - H 0 53B 40 10,-0.2 -31,-2.6 -3,-0.1 2,-0.4 -0.742 25.1-153.6 -88.0 130.9 13.2 14.0 17.4 44 64 A A E -DH 11 52B 0 8,-2.5 7,-2.6 -2,-0.5 8,-1.1 -0.814 11.5-169.4-101.0 136.6 15.3 15.6 14.7 45 65 A R E -DH 10 50B 49 -35,-2.4 -35,-2.2 -2,-0.4 2,-0.5 -0.959 11.0-163.8-123.1 146.6 14.8 14.5 11.1 46 66 A I E > S- H 0 49B 24 3,-2.8 3,-1.3 -2,-0.4 -37,-0.1 -0.983 83.0 -9.5-130.9 117.7 17.0 15.3 8.0 47 67 A G T 3 S- 0 0 88 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.817 131.7 -53.8 69.9 34.1 15.3 14.6 4.7 48 81 A G T 3 S+ 0 0 67 1,-0.2 2,-0.4 -38,-0.0 -1,-0.3 0.374 116.2 112.4 82.8 -2.7 12.4 12.9 6.3 49 82 A A E < S-H 46 0B 54 -3,-1.3 -3,-2.8 1,-0.0 -1,-0.2 -0.855 73.2-114.3-109.5 137.2 14.7 10.5 8.2 50 83 A V E +H 45 0B 74 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.477 36.6 170.9 -64.1 124.5 15.2 10.4 12.0 51 84 A V E - 0 0 1 -7,-2.6 19,-2.6 1,-0.4 2,-0.3 0.654 55.3 -54.9-111.1 -24.7 18.8 11.3 12.8 52 85 A G E -HI 44 69B 6 -8,-1.1 -8,-2.5 17,-0.3 -1,-0.4 -0.981 53.0 -92.4 172.6-165.8 18.8 11.7 16.6 53 87 A T E -HI 43 68B 51 15,-2.2 15,-2.3 -2,-0.3 2,-0.3 -0.949 42.4 -88.8-136.7 157.9 17.1 13.4 19.5 54 88 A F E - I 0 67B 0 -12,-2.0 -13,-2.9 -15,-0.4 13,-0.3 -0.480 38.1-174.9 -64.6 124.3 17.7 16.6 21.6 55 88AA A E - 0 0 34 11,-2.8 2,-0.3 1,-0.4 12,-0.2 0.795 63.1 -16.9 -94.4 -32.1 20.0 15.6 24.3 56 89 A A E + I 0 66B 20 10,-1.3 10,-1.7 -17,-0.1 -1,-0.4 -0.963 61.2 175.1-164.3 159.2 20.1 18.8 26.2 57 90 A R E - I 0 65B 73 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.957 18.3-151.5-163.4 159.4 19.2 22.5 25.8 58 91 A V E - I 0 64B 42 6,-2.4 6,-2.4 -2,-0.3 -23,-0.3 -0.954 26.4-178.3-138.6 121.7 19.0 25.8 27.7 59 94 A F + 0 0 26 -2,-0.4 2,-0.2 4,-0.2 4,-0.2 -0.826 55.0 19.0-167.4 134.6 16.5 28.4 26.5 60 95 A P S S+ 0 0 49 0, 0.0 2,-1.1 0, 0.0 68,-0.2 0.624 121.4 42.3 -76.1-159.5 15.8 31.2 27.4 61 100 A G B S+j 128 0C 32 66,-1.9 68,-2.7 -2,-0.2 2,-0.2 -0.617 136.2 10.2 96.9 -65.5 18.7 32.6 29.5 62 101 A N S S- 0 0 52 -2,-1.1 2,-0.1 66,-0.2 68,-0.1 -0.595 78.0-136.3-123.3-178.1 21.1 31.1 27.0 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.2 -4,-0.2 -0.567 53.1 122.2-145.5 80.4 20.1 29.6 23.6 64 103 A R E + I 0 58B 19 -6,-2.4 -6,-2.4 -30,-0.3 2,-0.3 -0.975 22.7 158.3-145.1 151.0 22.0 26.4 23.1 65 104 A A E -GI 33 57B 0 -32,-1.6 -32,-2.2 -2,-0.3 2,-0.4 -0.975 21.0-149.0-158.5 163.6 21.3 22.7 22.5 66 105 A W E -GI 32 56B 10 -10,-1.7 -11,-2.8 -2,-0.3 -10,-1.3 -0.988 11.8-147.0-142.5 141.7 23.0 19.5 21.1 67 106 A V E -GI 31 54B 0 -36,-2.3 -36,-1.7 -2,-0.4 2,-0.5 -0.944 14.5-137.4-105.7 122.6 21.3 16.6 19.3 68 107 A S E -GI 30 53B 30 -15,-2.3 -15,-2.2 -2,-0.5 -38,-0.2 -0.782 25.9-152.0 -87.5 127.8 22.8 13.2 19.8 69 108 A L E - I 0 52B 14 -40,-2.5 -40,-0.4 -2,-0.5 -17,-0.3 -0.572 16.4-104.0 -93.9 157.2 22.8 11.4 16.6 70 109 A T > - 0 0 68 -19,-2.6 3,-2.0 -2,-0.2 -1,-0.1 -0.468 38.3-109.1 -74.7 159.3 22.6 7.7 15.7 71 110 A S T 3 S+ 0 0 102 1,-0.3 -1,-0.1 -2,-0.1 -20,-0.0 0.593 112.2 75.0 -71.5 -5.7 25.9 6.1 14.6 72 111 A A T 3 S+ 0 0 77 -21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.717 76.8 97.2 -73.4 -21.0 24.6 5.9 11.1 73 112 A Q S < S- 0 0 11 -3,-2.0 2,-0.6 -22,-0.2 -71,-0.2 -0.386 71.3-137.4 -71.8 144.1 25.1 9.6 10.7 74 113 A T E -a 2 0A 65 -73,-2.5 -71,-3.3 -2,-0.1 2,-0.4 -0.926 16.4-150.5-105.9 111.9 28.3 10.8 9.0 75 114 A L E -a 3 0A 29 -2,-0.6 -71,-0.1 -73,-0.2 -73,-0.0 -0.656 15.8-169.0 -81.7 132.7 29.8 13.9 10.8 76 119 A L E - 0 0 36 -73,-1.4 2,-1.6 -2,-0.4 -54,-0.5 -0.959 30.0-131.0-130.4 145.8 31.7 16.3 8.7 77 120 A P E S+ 0 0 15 0, 0.0 11,-2.7 0, 0.0 2,-0.3 -0.253 74.8 102.1 -82.5 49.3 34.0 19.2 9.5 78 120AA R E - B 0 87A 92 -2,-1.6 -73,-2.8 -75,-0.3 2,-0.4 -0.934 56.1-151.0-141.5 157.3 32.2 21.5 7.0 79 120BA V E -aB 5 86A 0 7,-1.8 7,-1.9 -2,-0.3 2,-0.2 -0.987 35.6-111.2-124.8 134.6 29.7 24.4 6.7 80 120CA A E + B 0 85A 21 -75,-2.9 2,-0.3 -2,-0.4 5,-0.2 -0.432 33.3 175.0 -70.6 134.7 27.5 24.7 3.6 81 120DA N E > - 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