==== 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 05-AUG-91 5LPR . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR A.FUJISHIGE,R.BONE,D.A.AGARD . 201 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7855.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 65.7 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 . 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 . 9 4.5 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 . 7 3.5 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 1 0 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 52 0, 0.0 73,-2.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 157.3 22.6 11.7 6.5 2 15BA N E -a 74 0A 99 71,-0.2 2,-0.8 73,-0.0 73,-0.2 -0.843 360.0-135.8 -91.8 127.5 25.9 13.7 6.0 3 16 A I E +a 75 0A 0 71,-4.2 73,-1.7 -2,-0.5 2,-0.3 -0.824 35.5 162.9 -92.2 111.8 26.0 16.2 8.8 4 17 A V E > - 0 0 13 -2,-0.8 3,-1.5 71,-0.1 15,-0.3 -0.954 43.7-101.8-126.3 141.6 27.1 19.6 7.5 5 18 A G E 3 S+a 79 0A 0 73,-3.3 75,-3.0 -2,-0.3 15,-0.2 -0.298 103.9 27.0 -58.5 140.2 26.7 23.1 9.2 6 19 A G T 3 S+ 0 0 4 13,-3.8 -1,-0.2 1,-0.3 102,-0.2 0.208 86.8 126.8 97.4 -15.7 23.8 25.1 7.7 7 29 A I < - 0 0 44 -3,-1.5 12,-2.5 97,-0.1 -1,-0.3 -0.353 61.5-101.2 -82.7 159.4 21.5 22.3 6.5 8 30 A E E +C 18 0B 80 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.431 38.6 170.3 -78.3 150.6 17.9 22.0 7.4 9 31 A Y E -C 17 0B 2 8,-2.1 8,-2.4 -2,-0.1 2,-0.3 -0.937 22.3-136.8-147.9 153.8 16.5 19.6 10.0 10 32 A S E -CD 16 45B 21 35,-2.1 35,-1.8 -2,-0.3 2,-0.5 -0.779 8.8-140.3-112.8 157.6 12.9 19.3 11.4 11 33 A I E >> S-CD 15 44B 8 4,-2.2 3,-2.5 -2,-0.3 4,-0.7 -0.978 80.9 -17.6-120.2 125.6 11.9 18.8 15.1 12 34 A N T 34 S- 0 0 84 31,-2.7 -1,-0.2 -2,-0.5 32,-0.1 0.823 117.5 -69.2 45.9 42.4 8.9 16.5 15.9 13 35 A N T 34 S+ 0 0 116 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.702 128.1 73.2 52.1 27.0 7.8 16.8 12.3 14 39 A A T <4 S+ 0 0 78 -3,-2.5 -2,-0.2 1,-0.3 -1,-0.1 0.461 80.5 43.3-126.6 -84.5 6.9 20.5 12.8 15 40 A S E < -C 11 0B 71 -4,-0.7 -4,-2.2 22,-0.1 2,-0.4 -0.257 64.2-142.1 -67.1 154.3 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 -0.928 24.5 164.1-118.0 147.7 12.6 23.6 11.0 17 42 A a E -C 9 0B 6 -8,-2.4 -8,-2.1 -2,-0.4 2,-0.4 -0.834 33.0-107.8-143.6-178.7 16.0 24.8 12.2 18 43 A S E -C 8 0B 0 125,-2.6 16,-0.3 -2,-0.3 -10,-0.2 -0.916 29.9-108.4-118.5 148.3 19.6 24.6 10.8 19 44 A V - 0 0 0 -12,-2.5 -13,-3.8 -2,-0.4 127,-0.9 -0.493 27.5-167.9 -72.6 136.7 22.5 22.5 11.9 20 45 A G - 0 0 0 12,-1.8 2,-0.3 125,-0.3 126,-0.3 0.936 57.2 -24.2 -89.1 -78.7 25.3 24.4 13.6 21 46 A F E -E 32 0B 2 11,-0.9 11,-2.0 -16,-0.1 -1,-0.3 -0.995 55.5-114.9-141.8 141.8 28.4 22.2 13.9 22 47 A S E +E 31 0B 4 54,-0.5 174,-2.3 -2,-0.3 2,-0.3 -0.566 47.1 164.8 -70.4 138.0 29.3 18.4 14.0 23 48 A V E -EF 30 195B 0 7,-2.4 7,-2.0 172,-0.3 2,-0.3 -0.914 26.2-138.9-146.8 165.8 30.7 17.4 17.4 24 48AA T E -EF 29 194B 48 170,-2.4 170,-2.9 -2,-0.3 2,-0.3 -0.923 5.9-162.8-130.0 161.5 31.4 14.3 19.4 25 48BA R E > S-E 28 0B 113 3,-2.5 3,-2.1 -2,-0.3 2,-0.1 -0.843 74.1 -56.4-138.4 87.6 31.0 13.4 23.1 26 48CA G T 3 S- 0 0 70 -2,-0.3 -1,-0.3 1,-0.3 168,-0.1 -0.469 123.2 -18.1 68.0-139.1 33.2 10.4 23.6 27 48DA A T 3 S+ 0 0 106 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.466 118.1 107.0 -74.3 -2.8 31.9 7.8 21.1 28 49 A T E < -E 25 0B 52 -3,-2.1 -3,-2.5 40,-0.0 2,-0.3 -0.699 59.8-149.4 -85.2 131.5 28.7 9.8 20.7 29 50 A K E +E 24 0B 65 40,-0.5 40,-2.8 -2,-0.4 2,-0.3 -0.671 32.1 143.6 -92.3 148.8 28.1 11.8 17.5 30 51 A G E -EG 23 68B 0 -7,-2.0 -7,-2.4 -2,-0.3 2,-0.3 -0.942 38.2-128.5-165.4 179.2 26.0 14.9 17.6 31 52 A F E -EG 22 67B 0 36,-1.4 36,-2.4 -2,-0.3 2,-0.3 -0.969 21.8-128.4-139.9 149.3 25.5 18.5 16.3 32 53 A V E +EG 21 66B 0 -11,-2.0 -12,-1.8 -2,-0.3 -11,-0.9 -0.733 40.1 152.2 -94.5 148.7 25.1 21.7 18.3 33 54 A T E - G 0 65B 0 32,-2.2 32,-1.6 -2,-0.3 2,-0.2 -0.803 48.5 -52.0-156.0-168.1 22.1 24.0 17.5 34 55 A A > - 0 0 0 -16,-0.3 3,-1.6 -2,-0.3 30,-0.3 -0.615 37.2-138.1 -82.4 140.2 19.8 26.5 19.1 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.2 1,-0.3 24,-0.2 0.808 102.5 60.9 -65.9 -33.1 18.1 25.7 22.4 36 57 A H G 3 S+ 0 0 40 1,-0.2 -1,-0.3 22,-0.2 3,-0.1 0.547 88.2 76.5 -69.8 -12.1 14.8 27.2 21.2 37 58 A a G < S- 0 0 10 -3,-1.6 2,-0.3 1,-0.1 -1,-0.2 0.718 109.3 -12.4 -69.7 -28.6 14.7 24.7 18.3 38 59 A G < - 0 0 8 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.1 -0.980 60.8-113.5-158.5 171.0 13.5 21.8 20.5 39 62 A T > - 0 0 74 -2,-0.3 3,-3.0 1,-0.2 15,-0.4 -0.716 59.7 -69.0-108.0 165.7 13.0 20.3 24.0 40 63 A V T 3 S+ 0 0 66 1,-0.3 15,-0.2 -2,-0.3 -1,-0.2 -0.189 123.3 14.7 -52.0 140.2 15.0 17.4 25.4 41 64 A N T 3 S+ 0 0 121 13,-3.0 -1,-0.3 1,-0.3 14,-0.1 0.299 86.3 143.4 68.0 4.4 14.0 14.2 23.6 42 65 A A < - 0 0 4 -3,-3.0 12,-2.1 1,-0.1 2,-0.4 -0.373 55.7-112.4 -64.2 150.8 12.3 16.0 20.7 43 65AA T E - H 0 53B 38 10,-0.2 -31,-2.7 -3,-0.1 -30,-0.4 -0.763 25.2-152.3 -90.1 129.7 13.1 14.0 17.4 44 66 A A E -DH 11 52B 0 8,-2.7 7,-2.3 -2,-0.4 8,-1.2 -0.818 12.3-169.5-102.4 141.1 15.3 15.5 14.7 45 67 A R E -DH 10 50B 50 -35,-1.8 -35,-2.1 -2,-0.4 2,-0.5 -0.974 11.8-163.2-131.4 143.1 14.9 14.5 11.1 46 80 A I E > S- H 0 49B 25 3,-2.5 3,-2.1 -2,-0.4 -37,-0.1 -1.000 82.9 -12.8-128.0 120.0 17.0 15.2 8.0 47 81 A G T 3 S- 0 0 86 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.851 130.5 -54.2 57.0 44.2 15.4 14.7 4.7 48 82 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.323 115.5 112.3 72.4 -0.9 12.5 12.9 6.3 49 83 A A E < S-H 46 0B 56 -3,-2.1 -3,-2.5 2,-0.0 2,-0.3 -0.849 73.2-114.0-105.7 140.5 14.8 10.3 8.2 50 84 A V E +H 45 0B 75 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.538 37.7 170.3 -67.9 128.3 15.2 10.3 11.9 51 85 A V E - 0 0 1 -7,-2.3 19,-2.1 1,-0.4 2,-0.3 0.599 55.1 -57.4-116.7 -18.6 18.8 11.2 12.8 52 86 A G E -HI 44 69B 5 -8,-1.2 -8,-2.7 17,-0.3 -1,-0.4 -0.968 51.8 -91.9 166.6-166.8 18.7 11.6 16.6 53 87 A T E -HI 43 68B 48 15,-2.0 15,-2.6 -2,-0.3 2,-0.3 -0.946 42.3 -87.1-141.9 159.7 17.1 13.5 19.5 54 88 A F E - I 0 67B 0 -12,-2.1 -13,-3.0 -15,-0.4 13,-0.3 -0.637 37.7-174.8 -64.0 124.2 17.7 16.6 21.5 55 89 A A E - 0 0 34 11,-2.6 2,-0.3 1,-0.4 -1,-0.2 0.700 64.4 -18.4 -93.8 -29.4 20.0 15.5 24.4 56 90 A A E + I 0 66B 22 10,-1.3 10,-1.6 -17,-0.1 -1,-0.4 -0.974 61.6 175.2-165.4 159.9 20.0 18.8 26.3 57 91 A R E - I 0 65B 74 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.966 18.9-148.2-165.4 160.9 19.2 22.4 25.8 58 93 A V E - I 0 64B 39 6,-2.5 6,-2.1 -2,-0.3 -23,-0.3 -0.965 26.7-176.8-132.1 124.5 19.0 25.7 27.7 59 94 A F + 0 0 25 -2,-0.4 2,-0.2 4,-0.2 4,-0.1 -0.775 54.1 15.0-171.8 134.9 16.5 28.3 26.6 60 99AA P S S+ 0 0 47 0, 0.0 2,-1.5 0, 0.0 68,-0.2 0.654 121.5 44.2 -78.7-155.3 15.8 31.2 27.4 61 100 A G B S+j 128 0C 35 66,-2.6 68,-3.0 -2,-0.2 2,-0.2 -0.611 136.3 10.0 93.4 -69.3 18.6 32.6 29.6 62 101 A N S S- 0 0 51 -2,-1.5 2,-0.1 66,-0.2 68,-0.1 -0.623 78.9-135.0-119.1-176.6 21.0 31.1 27.0 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.1 119,-0.2 -0.598 53.4 120.5-147.0 79.2 20.0 29.6 23.6 64 103 A R E + I 0 58B 18 -6,-2.1 -6,-2.5 -30,-0.3 2,-0.3 -0.971 23.1 157.9-144.8 156.8 21.9 26.3 23.1 65 104 A A E -GI 33 57B 0 -32,-1.6 -32,-2.2 -2,-0.3 2,-0.3 -0.968 21.8-147.2-164.8 167.3 21.4 22.6 22.5 66 105 A W E -GI 32 56B 8 -10,-1.6 -11,-2.6 -2,-0.3 -10,-1.3 -0.980 13.1-148.9-140.8 143.4 23.1 19.4 21.2 67 106 A V E -GI 31 54B 0 -36,-2.4 -36,-1.4 -2,-0.3 2,-0.5 -0.975 14.4-139.0-111.4 126.8 21.3 16.5 19.4 68 107 A S E -GI 30 53B 30 -15,-2.6 -15,-2.0 -2,-0.5 -38,-0.3 -0.812 25.7-154.1 -88.8 136.1 22.8 13.1 19.9 69 108 A L E - I 0 52B 16 -40,-2.8 -40,-0.5 -2,-0.5 -17,-0.3 -0.593 17.4 -97.9-106.4 167.4 22.7 11.2 16.6 70 109 A T > - 0 0 68 -19,-2.1 3,-2.0 -2,-0.2 -1,-0.1 -0.322 39.8-107.1 -75.0 159.8 22.6 7.5 15.7 71 110 A S T 3 S+ 0 0 103 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.655 113.6 71.7 -59.8 -25.1 25.9 5.8 14.7 72 111 A A T 3 S+ 0 0 76 -21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.482 76.5 96.8 -74.7 -11.6 24.7 5.8 11.1 73 112 A Q < - 0 0 12 -3,-2.0 2,-0.6 -22,-0.2 -71,-0.2 -0.384 69.9-134.0 -76.7 152.1 25.2 9.6 10.6 74 113 A T E -a 2 0A 64 -73,-2.2 -71,-4.2 -2,-0.1 2,-0.4 -0.950 15.1-151.3-110.7 111.0 28.3 10.9 9.0 75 114 A L E -a 3 0A 27 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.0 -0.685 15.3-170.9 -81.0 135.3 29.9 13.9 10.8 76 115 A L E - 0 0 35 -73,-1.7 2,-1.5 -2,-0.4 -54,-0.5 -0.971 31.2-130.7-131.6 143.8 31.8 16.3 8.6 77 116 A P E S+ 0 0 17 0, 0.0 11,-2.9 0, 0.0 2,-0.3 -0.406 75.2 106.7 -80.9 51.3 34.0 19.2 9.6 78 117 A R E - B 0 87A 90 -2,-1.5 -73,-3.3 -75,-0.3 2,-0.4 -0.953 54.8-154.0-140.6 156.6 32.2 21.5 7.1 79 118 A V E -aB 5 86A 0 7,-2.0 7,-2.3 -2,-0.3 -73,-0.2 -0.987 35.2-110.9-125.4 134.7 29.7 24.3 6.8 80 119 A A E + B 0 85A 19 -75,-3.0 2,-0.3 -2,-0.4 5,-0.2 -0.434 32.3 175.6 -71.9 140.7 27.5 24.8 3.6 81 120 A N E > - 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