==== 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 26-OCT-90 1P12 . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR R.BONE,D.A.AGARD . 202 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7880.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 66.3 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 40.1 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 . 11 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.4 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 15AE A 0 0 56 0, 0.0 73,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 156.4 22.8 11.7 6.5 2 15BE N E -a 74 0A 100 71,-0.2 2,-0.7 73,-0.0 73,-0.2 -0.833 360.0-139.3 -88.7 124.4 26.0 13.7 6.1 3 16 E I E +a 75 0A 0 71,-3.4 73,-1.7 -2,-0.5 2,-0.4 -0.840 33.2 163.4 -94.0 112.3 26.0 16.3 8.9 4 17 E V E > - 0 0 13 -2,-0.7 3,-1.5 71,-0.1 15,-0.3 -0.951 44.4 -99.0-125.4 142.9 27.3 19.7 7.5 5 18 E G E 3 S+a 79 0A 0 73,-3.1 75,-3.2 -2,-0.4 15,-0.2 -0.336 105.0 27.8 -61.6 141.0 26.8 23.1 9.2 6 19 E G T 3 S+ 0 0 4 13,-3.6 -1,-0.2 1,-0.3 102,-0.2 0.249 85.8 126.9 97.5 -15.0 23.9 25.1 7.8 7 29 E I < - 0 0 44 -3,-1.5 12,-2.5 1,-0.1 -1,-0.3 -0.379 62.3-101.7 -81.6 160.2 21.7 22.3 6.5 8 30 E E E +C 18 0B 81 10,-0.2 2,-0.3 -2,-0.1 10,-0.2 -0.401 38.7 171.4 -75.7 148.9 18.0 22.1 7.4 9 31 E Y E -C 17 0B 2 8,-2.1 8,-2.3 -2,-0.1 2,-0.3 -0.959 22.4-136.2-141.8 157.7 16.6 19.6 10.0 10 32 E S E -CD 16 45B 20 35,-2.2 35,-2.1 -2,-0.3 2,-0.4 -0.805 8.6-140.0-115.9 158.9 13.0 19.5 11.5 11 33 E I E >> S-CD 15 44B 7 4,-2.1 3,-2.3 -2,-0.3 4,-1.0 -0.989 79.7 -18.7-120.3 124.1 12.0 19.1 15.1 12 34 E N T 34 S- 0 0 85 31,-2.4 -1,-0.1 -2,-0.4 32,-0.1 0.781 117.3 -68.5 46.9 39.2 9.0 16.8 16.0 13 35 E N T 34 S+ 0 0 118 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.721 130.2 68.4 55.6 24.9 7.8 17.1 12.3 14 39 E A T <4 S+ 0 0 75 -3,-2.3 -2,-0.2 1,-0.3 -1,-0.1 0.492 79.8 53.3-129.2 -79.7 7.0 20.8 12.8 15 40 E S E < -C 11 0B 52 -4,-1.0 -4,-2.1 22,-0.1 2,-0.4 -0.270 62.5-143.9 -67.5 152.9 9.7 23.4 13.3 16 41 E L E +C 10 0B 40 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.948 26.0 158.8-118.9 140.6 12.7 23.9 11.1 17 42 E a E -C 9 0B 4 -8,-2.3 -8,-2.1 -2,-0.4 2,-0.4 -0.834 33.9-112.1-143.2-178.6 16.2 24.9 12.2 18 43 E S E -C 8 0B 0 125,-3.2 16,-0.3 -2,-0.3 -10,-0.2 -0.941 29.8-107.8-120.4 152.5 19.7 24.7 10.8 19 44 E V - 0 0 0 -12,-2.5 -13,-3.6 -2,-0.4 127,-1.0 -0.465 25.9-166.7 -73.5 141.7 22.7 22.5 12.0 20 45 E G - 0 0 0 12,-2.0 126,-0.3 125,-0.3 2,-0.3 0.947 58.3 -25.1 -90.1 -78.5 25.4 24.5 13.7 21 46 E F E -E 32 0B 3 11,-0.9 11,-2.3 -16,-0.1 -1,-0.3 -0.997 55.4-111.5-145.1 144.3 28.5 22.2 13.9 22 47 E S E +E 31 0B 4 54,-0.5 174,-2.0 -2,-0.3 2,-0.3 -0.530 47.4 165.6 -68.5 137.6 29.4 18.5 14.0 23 48 E V E -EF 30 195B 0 7,-2.5 7,-2.0 172,-0.3 2,-0.3 -0.935 26.4-140.4-144.1 166.3 30.8 17.5 17.5 24 48AE T E -EF 29 194B 47 170,-2.4 170,-2.7 -2,-0.3 2,-0.4 -0.950 5.6-163.6-130.8 156.6 31.5 14.4 19.5 25 48BE R E > S-E 28 0B 124 3,-2.7 3,-2.0 -2,-0.3 2,-0.1 -0.850 74.8 -57.1-131.1 86.6 31.0 13.6 23.2 26 48CE G T 3 S- 0 0 70 -2,-0.4 -1,-0.2 1,-0.3 168,-0.1 -0.493 122.3 -18.0 71.9-138.4 33.2 10.5 23.7 27 48DE A T 3 S+ 0 0 108 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.3 0.545 117.3 106.0 -77.2 -7.6 31.9 7.9 21.2 28 49 E T E < -E 25 0B 52 -3,-2.0 -3,-2.7 40,-0.0 2,-0.3 -0.627 61.8-146.7 -78.4 130.7 28.6 9.8 20.8 29 50 E K E +E 24 0B 64 40,-0.5 40,-2.5 -2,-0.3 2,-0.3 -0.638 32.9 148.9 -89.1 150.8 28.1 11.8 17.6 30 51 E G E -EG 23 68B 0 -7,-2.0 -7,-2.5 38,-0.3 2,-0.3 -0.968 36.9-131.4-164.8 176.9 26.1 15.1 17.8 31 52 E F E -EG 22 67B 0 36,-1.5 36,-2.6 -2,-0.3 2,-0.3 -0.979 21.8-129.1-138.1 144.7 25.6 18.5 16.4 32 53 E V E +EG 21 66B 0 -11,-2.3 -12,-2.0 -2,-0.3 -11,-0.9 -0.670 40.6 150.3 -92.3 150.2 25.3 21.8 18.3 33 54 E T E - G 0 65B 0 32,-2.5 32,-1.9 -2,-0.3 2,-0.2 -0.828 47.6 -54.7-156.9-168.3 22.4 24.1 17.5 34 55 E A > - 0 0 0 -16,-0.3 3,-0.8 30,-0.3 30,-0.3 -0.598 34.9-137.1 -88.0 142.7 20.0 26.7 19.1 35 56 E G G > S+ 0 0 0 23,-0.3 3,-1.2 1,-0.3 24,-0.2 0.809 102.5 64.8 -65.2 -32.8 18.1 25.9 22.3 36 57 E H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 22,-0.2 23,-0.1 0.739 88.4 74.5 -65.1 -23.0 14.9 27.6 21.0 37 58 E a G < S- 0 0 5 -3,-0.8 2,-0.3 1,-0.1 -1,-0.3 0.733 109.7 -16.2 -63.9 -32.4 14.9 24.8 18.3 38 59 E G < - 0 0 8 -3,-1.2 2,-0.2 -4,-0.2 -1,-0.1 -0.971 59.0-112.5-163.5 166.4 13.7 21.9 20.5 39 62 E T > - 0 0 74 -2,-0.3 3,-3.1 1,-0.2 15,-0.4 -0.613 60.8 -67.7-103.1 165.4 13.2 20.6 24.0 40 63 E V T 3 S+ 0 0 70 1,-0.3 15,-0.2 -2,-0.2 -1,-0.2 -0.257 124.1 16.8 -49.4 140.4 15.1 17.7 25.5 41 64 E N T 3 S+ 0 0 118 13,-3.0 -1,-0.3 1,-0.3 14,-0.1 0.266 86.1 145.4 74.2 1.9 14.1 14.4 23.7 42 65 E A < - 0 0 4 -3,-3.1 12,-2.2 1,-0.1 2,-0.5 -0.307 53.2-113.0 -66.5 151.7 12.5 16.2 20.7 43 65AE T E - H 0 53B 36 10,-0.2 -31,-2.4 -3,-0.1 -30,-0.4 -0.762 25.9-157.7 -88.6 124.5 13.1 14.2 17.4 44 66 E A E -DH 11 52B 0 8,-2.3 7,-2.6 -2,-0.5 8,-1.2 -0.829 10.6-172.2-104.0 139.7 15.3 15.7 14.7 45 67 E R E -DH 10 50B 49 -35,-2.1 -35,-2.2 -2,-0.4 2,-0.4 -0.978 12.1-161.5-129.2 148.4 14.9 14.6 11.1 46 80 E I E > S- H 0 49B 26 3,-2.4 3,-2.2 -2,-0.4 -37,-0.1 -1.000 82.3 -10.6-130.1 125.1 17.0 15.3 8.1 47 81 E G T 3 S- 0 0 87 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.868 131.8 -53.5 52.8 44.1 15.4 14.7 4.7 48 82 E G T 3 S+ 0 0 66 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.247 115.1 110.8 77.8 -8.7 12.6 12.9 6.3 49 83 E A E < S-H 46 0B 55 -3,-2.2 -3,-2.4 1,-0.0 2,-0.2 -0.787 73.5-112.7-102.5 142.7 14.7 10.4 8.3 50 84 E V E +H 45 0B 74 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.535 38.1 169.8 -67.3 129.1 15.1 10.4 12.1 51 85 E V E - 0 0 1 -7,-2.6 19,-2.2 1,-0.4 2,-0.3 0.601 55.2 -52.5-118.7 -18.4 18.8 11.3 12.9 52 86 E G E -HI 44 69B 5 -8,-1.2 -8,-2.3 17,-0.3 -1,-0.4 -0.958 52.1 -96.9 170.4-168.3 18.8 11.8 16.6 53 87 E T E -HI 43 68B 52 15,-1.8 15,-2.4 -2,-0.3 2,-0.3 -0.945 43.2 -86.0-139.0 161.6 17.1 13.6 19.5 54 88 E F E - I 0 67B 0 -12,-2.2 -13,-3.0 -15,-0.4 13,-0.3 -0.575 38.2-175.4 -65.5 119.0 17.8 16.7 21.6 55 89 E A E - 0 0 34 11,-2.8 2,-0.3 1,-0.4 12,-0.2 0.767 65.1 -14.5 -89.9 -30.2 20.2 15.7 24.4 56 90 E A E + I 0 66B 19 10,-1.4 10,-1.9 -17,-0.1 -1,-0.4 -0.959 62.6 174.9-162.5 155.4 20.2 19.0 26.3 57 91 E R E - I 0 65B 72 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.971 17.5-153.9-160.5 158.6 19.3 22.6 25.8 58 93 E V E - I 0 64B 37 6,-2.9 6,-1.9 -2,-0.3 -23,-0.3 -0.979 25.2-177.3-134.8 122.8 19.1 26.0 27.6 59 94 E F + 0 0 22 -2,-0.4 2,-0.2 4,-0.2 4,-0.1 -0.771 55.0 14.1-169.6 137.4 16.6 28.6 26.4 60 99AE P S S+ 0 0 47 0, 0.0 2,-1.5 0, 0.0 68,-0.2 0.649 121.8 45.1 -77.7-155.4 15.8 31.4 27.2 61 100 E G B S+j 128 0C 38 66,-2.2 68,-2.2 -2,-0.2 2,-0.2 -0.595 135.8 8.6 93.0 -71.2 18.7 32.8 29.5 62 101 E N S S- 0 0 54 -2,-1.5 2,-0.2 66,-0.2 68,-0.1 -0.611 78.9-135.1-120.7-173.2 21.2 31.3 26.9 63 102 E D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.1 119,-0.2 -0.587 53.9 117.1-149.9 78.5 20.2 29.8 23.6 64 103 E R E + I 0 58B 18 -6,-1.9 -6,-2.9 -30,-0.3 2,-0.3 -0.975 24.0 158.4-146.3 158.5 22.0 26.5 23.0 65 104 E A E -GI 33 57B 0 -32,-1.9 -32,-2.5 -2,-0.3 2,-0.3 -0.971 21.9-144.7-165.6 167.1 21.5 22.8 22.5 66 105 E W E -GI 32 56B 8 -10,-1.9 -11,-2.8 -2,-0.3 -10,-1.4 -0.992 12.5-147.2-138.3 146.5 23.2 19.6 21.2 67 106 E V E -GI 31 54B 0 -36,-2.6 -36,-1.5 -2,-0.3 2,-0.4 -0.963 13.9-138.3-112.2 127.4 21.4 16.7 19.5 68 107 E S E -GI 30 53B 31 -15,-2.4 -15,-1.8 -2,-0.5 -38,-0.3 -0.766 26.1-151.6 -89.3 131.9 22.8 13.2 20.0 69 108 E L E - I 0 52B 15 -40,-2.5 -40,-0.5 -2,-0.4 -17,-0.3 -0.606 17.6-100.3-100.5 165.3 22.8 11.4 16.7 70 109 E T > - 0 0 66 -19,-2.2 3,-1.8 -2,-0.2 -1,-0.1 -0.382 40.0-108.6 -75.5 162.3 22.5 7.7 15.8 71 110 E S T 3 S+ 0 0 104 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.682 113.4 72.0 -69.6 -12.4 25.8 6.0 14.9 72 111 E A T 3 S+ 0 0 76 -21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.629 77.0 98.1 -77.0 -14.3 24.8 5.8 11.3 73 112 E Q < - 0 0 11 -3,-1.8 2,-0.6 -22,-0.2 -71,-0.2 -0.374 69.9-135.9 -69.9 150.4 25.2 9.6 10.8 74 113 E T E -a 2 0A 62 -73,-2.4 -71,-3.4 -2,-0.1 2,-0.4 -0.953 14.1-150.1-109.5 118.1 28.4 10.9 9.2 75 114 E L E -a 3 0A 28 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.0 -0.681 15.1-169.4 -86.4 138.6 29.9 13.9 10.9 76 115 E L E - 0 0 39 -73,-1.7 2,-1.5 -2,-0.4 -54,-0.5 -0.969 29.3-131.2-129.2 146.2 31.9 16.3 8.7 77 116 E P E S+ 0 0 16 0, 0.0 11,-2.7 0, 0.0 2,-0.3 -0.381 75.0 104.2 -87.2 53.6 34.1 19.2 9.6 78 117 E R E - B 0 87A 89 -2,-1.5 -73,-3.1 -75,-0.3 2,-0.4 -0.958 56.0-152.0-140.8 157.7 32.4 21.5 7.1 79 118 E V E -aB 5 86A 0 7,-2.0 7,-2.3 -2,-0.3 2,-0.2 -0.986 35.2-110.8-126.1 136.9 29.8 24.3 6.8 80 119 E A E + B 0 85A 19 -75,-3.2 2,-0.3 -2,-0.4 5,-0.2 -0.435 32.3 175.6 -70.4 136.2 27.7 24.8 3.6 81 120 E N E > - 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