==== 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 24-APR-89 1P05 . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR R.BONE,D.A.AGARD . 201 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7918.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 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 . 82 40.8 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 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.5 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 2 3 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,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 155.8 22.6 11.8 6.5 2 15BA N E -a 74 0A 99 71,-0.2 2,-0.8 73,-0.0 73,-0.2 -0.856 360.0-137.4 -90.1 130.1 25.9 13.7 6.0 3 16 A I E +a 75 0A 0 71,-3.7 73,-1.7 -2,-0.5 2,-0.4 -0.807 35.3 161.9 -94.8 107.8 26.0 16.3 8.8 4 17 A V E > - 0 0 14 -2,-0.8 3,-1.5 71,-0.1 15,-0.3 -0.962 44.5 -99.7-123.9 145.1 27.2 19.7 7.5 5 18 A G E 3 S+a 79 0A 1 73,-3.1 75,-3.5 -2,-0.4 15,-0.2 -0.320 104.0 27.8 -59.4 138.7 26.8 23.1 9.1 6 19 A G T 3 S+ 0 0 4 13,-3.1 -1,-0.2 1,-0.3 102,-0.2 0.185 86.3 127.1 99.8 -19.3 23.9 25.1 7.7 7 29 A I < - 0 0 44 -3,-1.5 12,-2.3 97,-0.1 -1,-0.3 -0.287 61.6-101.2 -80.0 158.6 21.5 22.4 6.5 8 30 A E E +C 18 0B 82 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.463 37.6 172.1 -77.7 149.4 17.9 22.0 7.4 9 31 A Y E -C 17 0B 1 8,-2.0 8,-2.5 37,-0.1 2,-0.3 -0.941 21.3-140.6-144.2 154.5 16.5 19.6 10.1 10 32 A S E -CD 16 45B 19 35,-2.1 35,-2.0 -2,-0.3 2,-0.5 -0.821 10.7-138.4-113.9 156.1 12.9 19.5 11.4 11 33 A I E >> S-CD 15 44B 7 4,-2.1 3,-1.7 -2,-0.3 4,-0.9 -0.992 79.5 -18.7-116.3 122.4 12.0 18.9 15.0 12 34 A N T 34 S- 0 0 87 31,-2.9 -1,-0.1 -2,-0.5 32,-0.1 0.798 118.8 -67.3 49.6 42.1 9.0 16.5 15.8 13 35 A N T 34 S+ 0 0 118 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.722 128.4 70.6 53.3 29.9 7.8 16.9 12.3 14 39 A A T <4 S+ 0 0 76 -3,-1.7 -2,-0.2 1,-0.4 -1,-0.1 0.452 81.3 45.1-127.3 -85.3 6.9 20.7 12.8 15 40 A S E < -C 11 0B 71 -4,-0.9 -4,-2.1 22,-0.1 -1,-0.4 -0.310 64.4-145.6 -68.5 154.5 9.6 23.4 13.2 16 41 A L E +C 10 0B 66 -6,-0.3 2,-0.3 -3,-0.1 -6,-0.2 -0.914 23.0 166.6-120.9 145.7 12.7 23.6 11.0 17 42 A a E -C 9 0B 6 -8,-2.5 -8,-2.0 -2,-0.4 2,-0.3 -0.818 32.1-109.2-140.8-178.0 16.1 24.8 12.2 18 43 A S E -C 8 0B 0 125,-2.4 16,-0.3 -2,-0.3 -10,-0.2 -0.903 32.2-105.8-118.5 150.5 19.6 24.6 10.7 19 44 A V - 0 0 0 -12,-2.3 -13,-3.1 -2,-0.3 127,-0.9 -0.445 27.3-165.5 -75.8 142.3 22.5 22.5 11.9 20 45 A G - 0 0 0 12,-1.6 2,-0.3 125,-0.3 126,-0.3 0.906 57.2 -25.8 -87.8 -87.4 25.3 24.4 13.8 21 46 A F E -E 32 0B 3 11,-0.9 11,-2.3 -16,-0.1 2,-0.3 -0.997 55.0-114.0-141.4 143.6 28.4 22.2 14.0 22 47 A S E +E 31 0B 4 54,-0.5 174,-2.5 -2,-0.3 2,-0.3 -0.550 47.7 164.6 -68.0 132.2 29.3 18.5 14.0 23 48 A V E -EF 30 195B 0 7,-2.7 7,-2.1 -2,-0.3 2,-0.3 -0.896 26.7-139.5-144.7 168.1 30.7 17.5 17.4 24 48AA T E -EF 29 194B 47 170,-2.4 170,-3.1 -2,-0.3 2,-0.3 -0.954 5.4-164.0-132.4 158.7 31.5 14.3 19.4 25 48BA R E > S-E 28 0B 113 3,-2.6 3,-1.8 -2,-0.3 2,-0.1 -0.835 73.8 -55.1-136.7 89.1 31.1 13.4 23.0 26 48CA G T 3 S- 0 0 71 -2,-0.3 -1,-0.2 1,-0.3 168,-0.1 -0.505 123.7 -19.7 69.3-145.0 33.2 10.3 23.6 27 48DA A T 3 S+ 0 0 109 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.426 117.9 107.2 -69.9 -1.1 31.9 7.8 21.0 28 49 A T E < -E 25 0B 55 -3,-1.8 -3,-2.6 40,-0.0 2,-0.3 -0.697 60.0-147.9 -89.3 132.8 28.6 9.8 20.6 29 50 A K E +E 24 0B 62 40,-0.5 40,-2.2 -2,-0.4 2,-0.3 -0.685 32.9 142.9 -92.2 151.9 28.1 11.8 17.4 30 51 A G E -EG 23 68B 0 -7,-2.1 -7,-2.7 38,-0.3 2,-0.3 -0.950 38.7-128.6-168.5-178.7 26.1 15.0 17.6 31 52 A F E -EG 22 67B 0 36,-1.5 36,-2.2 -2,-0.3 2,-0.3 -0.978 22.4-127.3-142.6 148.8 25.6 18.5 16.3 32 53 A V E +EG 21 66B 0 -11,-2.3 -12,-1.6 -2,-0.3 -11,-0.9 -0.670 40.5 151.7 -94.6 151.8 25.2 21.8 18.4 33 54 A T E - G 0 65B 0 32,-2.7 32,-1.8 -2,-0.3 2,-0.3 -0.811 47.2 -51.3-157.7-170.1 22.2 24.0 17.5 34 55 A A > - 0 0 0 -16,-0.3 3,-1.4 -2,-0.2 4,-0.3 -0.645 35.2-138.8 -84.5 142.7 19.9 26.5 19.2 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.1 -2,-0.3 24,-0.2 0.833 101.8 61.4 -68.2 -35.0 18.1 25.7 22.4 36 57 A H G 3 S+ 0 0 41 1,-0.3 -1,-0.3 22,-0.2 3,-0.1 0.580 88.0 76.7 -69.4 -16.4 14.9 27.3 21.2 37 58 A a G < S- 0 0 8 -3,-1.4 2,-0.3 1,-0.1 -1,-0.3 0.721 108.7 -15.6 -65.3 -33.2 14.7 24.8 18.4 38 59 A G < - 0 0 8 -3,-1.1 2,-0.2 -4,-0.3 -1,-0.1 -0.990 60.8-110.2-158.5 171.7 13.5 21.8 20.5 39 62 A T > - 0 0 74 -2,-0.3 3,-2.8 1,-0.2 15,-0.4 -0.665 59.5 -70.4-104.9 163.6 13.0 20.3 24.0 40 63 A V T 3 S+ 0 0 69 1,-0.3 15,-0.2 -2,-0.2 -1,-0.2 -0.240 123.6 18.2 -51.3 142.1 15.0 17.4 25.4 41 64 A N T 3 S+ 0 0 122 13,-3.0 -1,-0.3 1,-0.3 14,-0.1 0.230 86.1 142.6 69.8 1.6 14.0 14.2 23.6 42 65 A A < - 0 0 4 -3,-2.8 12,-2.3 1,-0.1 2,-0.5 -0.347 55.3-114.1 -64.8 150.2 12.4 16.0 20.6 43 65AA T E - H 0 53B 37 10,-0.2 -31,-2.9 -3,-0.1 2,-0.4 -0.737 24.7-155.8 -88.2 123.8 13.1 14.1 17.4 44 66 A A E -DH 11 52B 0 8,-2.4 7,-2.1 -2,-0.5 8,-1.5 -0.825 11.8-171.9-102.8 144.2 15.3 15.6 14.7 45 67 A R E -DH 10 50B 52 -35,-2.0 -35,-2.1 -2,-0.4 2,-0.4 -0.959 12.5-160.3-135.5 143.5 14.9 14.5 11.1 46 80 A I E > S- H 0 49B 24 3,-2.2 3,-2.3 -2,-0.3 -37,-0.1 -0.999 82.6 -10.9-129.5 120.4 17.0 15.3 8.0 47 81 A G T 3 S- 0 0 84 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.858 130.9 -53.1 55.4 49.7 15.4 14.7 4.6 48 82 A G T 3 S+ 0 0 69 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.245 116.0 113.4 73.1 -11.0 12.5 12.9 6.2 49 83 A A E < S-H 46 0B 56 -3,-2.3 -3,-2.2 1,-0.0 2,-0.3 -0.751 71.5-117.7 -98.3 146.5 14.8 10.4 8.0 50 84 A V E +H 45 0B 78 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.618 38.6 165.5 -74.4 132.6 15.2 10.3 11.9 51 85 A V E - 0 0 1 -7,-2.1 19,-2.5 1,-0.4 2,-0.3 0.558 56.4 -47.1-123.0 -25.5 18.9 11.1 12.7 52 86 A G E -HI 44 69B 4 -8,-1.5 -8,-2.4 17,-0.3 -1,-0.4 -0.956 49.2-102.6 177.5-167.6 18.7 11.8 16.6 53 87 A T E -HI 43 68B 51 15,-1.7 15,-2.3 -2,-0.3 2,-0.3 -0.924 45.0 -86.6-141.0 162.4 17.0 13.5 19.5 54 88 A F E - I 0 67B 0 -12,-2.3 -13,-3.0 -15,-0.4 13,-0.3 -0.619 35.8-173.2 -69.5 127.5 17.8 16.6 21.6 55 89 A A E - 0 0 36 11,-2.4 2,-0.3 1,-0.4 12,-0.2 0.791 65.0 -16.2 -91.4 -35.5 20.1 15.5 24.4 56 90 A A E + I 0 66B 22 10,-1.2 10,-1.7 -17,-0.1 -1,-0.4 -0.965 60.0 176.2-163.4 160.3 20.1 18.8 26.2 57 91 A R E - I 0 65B 76 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.984 19.2-149.9-163.4 162.0 19.3 22.5 25.9 58 93 A V E - I 0 64B 38 6,-2.7 6,-2.3 -2,-0.3 -23,-0.3 -0.954 26.4-179.3-133.5 118.9 19.1 25.8 27.7 59 94 A F + 0 0 25 -2,-0.4 2,-0.2 4,-0.2 4,-0.1 -0.780 55.4 17.5-165.6 133.4 16.5 28.3 26.6 60 99AA P S S+ 0 0 48 0, 0.0 2,-1.5 0, 0.0 68,-0.2 0.612 122.0 40.6 -81.9-159.1 15.8 31.2 27.5 61 100 A G B S+j 128 0C 33 66,-2.7 68,-2.8 -2,-0.2 2,-0.2 -0.605 136.4 12.8 91.6 -71.2 18.7 32.7 29.7 62 101 A N S S- 0 0 53 -2,-1.5 2,-0.2 66,-0.2 68,-0.1 -0.616 79.6-135.7-114.2-174.6 21.1 31.1 27.1 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.1 119,-0.2 -0.604 52.7 123.2-145.1 79.2 20.1 29.7 23.7 64 103 A R E + I 0 58B 20 -6,-2.3 -6,-2.7 -30,-0.3 2,-0.3 -0.962 22.6 156.2-145.1 157.5 21.8 26.3 23.2 65 104 A A E -GI 33 57B 0 -32,-1.8 -32,-2.7 -2,-0.3 2,-0.3 -0.968 21.3-149.4-165.2 164.2 21.4 22.6 22.5 66 105 A W E -GI 32 56B 6 -10,-1.7 -11,-2.4 -2,-0.3 -10,-1.2 -0.971 13.2-149.9-140.3 141.3 23.1 19.5 21.2 67 106 A V E -GI 31 54B 0 -36,-2.2 -36,-1.5 -2,-0.3 2,-0.5 -0.987 14.1-139.4-107.3 129.1 21.3 16.6 19.4 68 107 A S E -GI 30 53B 30 -15,-2.3 -15,-1.7 -2,-0.4 -38,-0.3 -0.836 25.4-152.1 -95.4 139.0 22.9 13.1 19.9 69 108 A L E - I 0 52B 13 -40,-2.2 -40,-0.5 -2,-0.5 -17,-0.3 -0.586 17.6 -97.1-102.0 162.4 22.7 11.3 16.5 70 109 A T > - 0 0 69 -19,-2.5 3,-1.7 -2,-0.2 -1,-0.2 -0.237 40.8-103.8 -73.0 167.1 22.5 7.6 15.7 71 110 A S T 3 S+ 0 0 106 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.760 113.8 69.0 -59.2 -30.3 25.7 5.8 14.7 72 111 A A T 3 S+ 0 0 77 2,-0.1 -1,-0.3 -21,-0.1 2,-0.1 0.505 77.6 98.5 -70.1 -14.2 24.8 5.8 11.1 73 112 A Q < - 0 0 12 -3,-1.7 2,-0.6 -22,-0.2 -71,-0.2 -0.419 69.1-134.0 -77.9 154.1 25.2 9.6 10.6 74 113 A T E -a 2 0A 67 -73,-1.9 -71,-3.7 -2,-0.1 2,-0.4 -0.962 14.4-149.6-106.9 108.0 28.4 10.9 9.1 75 114 A L E -a 3 0A 30 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.1 -0.752 16.1-168.8 -82.4 138.3 29.8 13.9 10.9 76 115 A L E - 0 0 35 -73,-1.7 2,-1.3 -2,-0.4 -54,-0.5 -0.938 29.8-133.0-130.1 145.3 31.7 16.4 8.7 77 116 A P E S+ 0 0 16 0, 0.0 11,-2.6 0, 0.0 2,-0.3 -0.395 75.3 104.7 -83.8 49.5 34.0 19.3 9.6 78 117 A R E - B 0 87A 95 -2,-1.3 -73,-3.1 -75,-0.4 2,-0.4 -0.964 55.5-153.7-137.5 160.5 32.2 21.5 7.0 79 118 A V E -aB 5 86A 0 7,-2.0 7,-2.6 -2,-0.3 -73,-0.2 -0.995 35.3-110.9-130.5 132.7 29.7 24.4 6.8 80 119 A A E + B 0 85A 20 -75,-3.5 2,-0.4 -2,-0.4 5,-0.2 -0.363 32.5 176.1 -66.1 138.6 27.6 24.8 3.6 81 120 A N E > - 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