==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-NOV-11 3URC . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR B.A.KELCH,D.A.AGARD . 198 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 68.7 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 . 80 40.4 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 6.1 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 3 2 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 51 0, 0.0 73,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 155.8 22.5 11.5 6.4 2 15BA N E -a 74 0A 96 71,-0.2 2,-0.7 73,-0.0 73,-0.2 -0.808 360.0-137.4 -89.0 124.3 25.6 13.6 6.0 3 16 A I E +a 75 0A 0 71,-3.1 73,-1.2 -2,-0.5 2,-0.4 -0.769 34.8 161.8 -95.0 112.3 25.8 16.2 8.7 4 17 A V E > - 0 0 12 -2,-0.7 3,-1.5 71,-0.1 15,-0.3 -0.989 43.9-102.0-131.4 133.9 26.9 19.6 7.4 5 18 A G E 3 S+a 79 0A 0 73,-2.9 75,-3.2 -2,-0.4 15,-0.2 -0.295 103.3 25.2 -57.3 138.2 26.4 23.0 9.1 6 19 A G T 3 S+ 0 0 4 13,-3.0 -1,-0.2 1,-0.3 102,-0.1 0.201 87.4 127.4 97.5 -17.1 23.6 25.1 7.7 7 31 A I < - 0 0 44 -3,-1.5 12,-2.5 97,-0.1 -1,-0.3 -0.361 61.9-100.0 -79.2 155.5 21.4 22.3 6.4 8 32 A E E +C 18 0B 84 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.452 39.5 171.1 -69.5 143.7 17.7 21.9 7.3 9 33 A Y E -C 17 0B 1 8,-2.2 8,-2.5 -2,-0.2 2,-0.3 -0.977 22.8-133.1-142.9 156.7 16.4 19.4 9.8 10 34 A S E -CD 16 45B 19 35,-2.3 35,-1.9 -2,-0.3 2,-0.5 -0.784 8.8-141.9-106.9 156.5 12.9 19.1 11.3 11 35 A I E >> S-CD 15 44B 9 4,-2.4 3,-1.8 -2,-0.3 4,-0.8 -0.973 81.8 -18.8-121.5 119.3 11.9 18.7 15.0 12 36 A N T 34 S- 0 0 89 31,-2.8 -1,-0.2 -2,-0.5 32,-0.1 0.835 118.3 -68.1 51.4 37.1 9.0 16.3 15.8 13 38 A N T 34 S+ 0 0 110 30,-0.5 -1,-0.3 2,-0.1 3,-0.1 0.786 129.0 76.1 56.4 31.2 7.9 16.5 12.2 14 39 A A T <4 S+ 0 0 75 -3,-1.8 -2,-0.2 1,-0.4 -1,-0.1 0.439 77.5 41.3-133.2 -91.5 7.0 20.1 12.8 15 40 A S E < -C 11 0B 77 -4,-0.8 -4,-2.4 22,-0.1 -1,-0.4 -0.272 64.7-140.0 -69.2 158.6 9.4 23.0 13.1 16 41 A L E +C 10 0B 65 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.921 27.4 160.3-113.8 139.9 12.4 23.5 10.9 17 42 A a E -C 9 0B 6 -8,-2.5 -8,-2.2 -2,-0.4 2,-0.4 -0.818 34.4-103.8-140.2-173.8 15.8 24.7 12.0 18 43 A S E -C 8 0B 0 125,-2.8 16,-0.3 -2,-0.3 -10,-0.2 -0.908 30.9-109.1-120.3 143.5 19.4 24.5 10.7 19 44 A V - 0 0 0 -12,-2.5 -13,-3.0 -2,-0.4 127,-1.0 -0.466 25.0-164.6 -66.3 139.1 22.4 22.4 11.8 20 44AA G - 0 0 0 12,-2.0 2,-0.3 125,-0.3 126,-0.3 0.911 56.8 -31.3 -86.0 -79.7 25.1 24.2 13.7 21 45 A F E -E 32 0B 2 11,-0.9 11,-2.2 -16,-0.1 -1,-0.3 -0.996 55.4-107.3-146.3 144.1 28.2 22.0 13.7 22 46 A S E +E 31 0B 2 54,-0.5 174,-2.2 -2,-0.3 2,-0.3 -0.493 48.4 168.5 -61.6 135.3 29.1 18.3 13.8 23 47 A V E -EF 30 195B 0 7,-2.5 7,-2.2 172,-0.2 2,-0.3 -0.925 25.8-138.5-143.7 163.6 30.5 17.3 17.2 24 48 A T E -EF 29 194B 47 170,-2.3 170,-2.5 -2,-0.3 2,-0.4 -0.937 5.9-165.6-121.6 154.8 31.4 14.2 19.2 25 48AA R E > S-E 28 0B 124 3,-2.6 3,-2.2 -2,-0.3 2,-0.2 -0.833 73.0 -63.8-132.0 87.5 30.8 13.3 22.8 26 48BA G T 3 S- 0 0 71 -2,-0.4 -1,-0.2 1,-0.3 168,-0.1 -0.492 120.5 -14.1 62.0-128.9 33.1 10.4 23.2 27 48CA A T 3 S+ 0 0 107 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.564 117.8 102.4 -74.6 -14.9 31.8 7.7 20.9 28 49 A T E < -E 25 0B 61 -3,-2.2 -3,-2.6 1,-0.0 2,-0.2 -0.631 64.6-143.0 -80.3 131.7 28.5 9.6 20.4 29 50 A K E +EG 24 69B 64 40,-0.5 40,-2.9 -2,-0.4 2,-0.3 -0.615 34.2 150.0 -85.1 148.1 27.9 11.5 17.2 30 51 A G E -EG 23 68B 0 -7,-2.2 -7,-2.5 38,-0.3 2,-0.3 -0.971 36.1-134.3-159.8 174.1 26.1 14.8 17.4 31 52 A F E -EG 22 67B 0 36,-1.8 36,-2.8 -2,-0.3 2,-0.3 -0.994 20.9-131.5-138.8 146.6 25.4 18.3 16.2 32 53 A V E +EG 21 66B 0 -11,-2.2 -12,-2.0 -2,-0.3 -11,-0.9 -0.658 37.8 149.4 -86.8 153.1 25.0 21.5 18.1 33 54 A T E - G 0 65B 0 32,-2.3 32,-1.8 -2,-0.3 2,-0.3 -0.825 49.2 -54.7-161.5-172.7 22.1 23.8 17.3 34 55 A A > - 0 0 0 -16,-0.3 3,-1.2 30,-0.2 30,-0.3 -0.638 36.8-135.6 -81.7 143.4 19.8 26.4 19.1 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.3 -2,-0.3 24,-0.2 0.825 102.2 63.3 -63.9 -33.0 17.9 25.5 22.2 36 57 A H G 3 S+ 0 0 61 1,-0.3 -1,-0.2 22,-0.2 3,-0.1 0.631 88.8 74.0 -72.4 -8.8 14.7 27.1 21.0 37 58 A a G < S- 0 0 8 -3,-1.2 2,-0.3 1,-0.2 -1,-0.3 0.707 109.3 -5.9 -71.5 -25.7 14.6 24.5 18.2 38 59 A G < - 0 0 7 -3,-1.3 -1,-0.2 -4,-0.3 2,-0.2 -0.973 59.5-118.9-167.9 157.3 13.6 21.6 20.3 39 59AA T > - 0 0 76 -2,-0.3 3,-2.3 1,-0.1 15,-0.3 -0.539 58.5 -70.9 -94.7 160.4 12.9 20.1 23.8 40 59BA V T 3 S+ 0 0 69 1,-0.3 15,-0.2 -2,-0.2 -1,-0.1 -0.289 122.0 16.6 -54.9 134.7 14.8 17.2 25.3 41 60 A N T 3 S+ 0 0 122 13,-2.9 -1,-0.3 1,-0.3 14,-0.1 0.278 87.4 145.1 79.9 -1.3 14.0 13.9 23.5 42 61 A A < - 0 0 3 -3,-2.3 12,-2.5 11,-0.1 2,-0.5 -0.332 52.8-113.8 -64.5 144.8 12.5 15.7 20.5 43 62 A T E - H 0 53B 34 10,-0.2 -31,-2.8 -3,-0.1 -30,-0.5 -0.727 23.9-152.5 -91.6 125.5 13.1 13.7 17.2 44 64 A A E -DH 11 52B 0 8,-2.6 7,-2.7 -2,-0.5 8,-1.2 -0.814 12.8-171.9 -96.3 134.7 15.3 15.2 14.5 45 65 A R E -DH 10 50B 53 -35,-1.9 -35,-2.3 -2,-0.4 2,-0.4 -0.969 10.5-174.2-125.4 144.4 14.8 14.3 10.9 46 66 A I E > S- H 0 49B 24 3,-2.2 3,-1.9 -2,-0.4 -37,-0.1 -0.998 80.6 -1.0-133.8 132.5 16.9 15.1 7.8 47 67 A G T 3 S- 0 0 87 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.803 131.2 -60.1 55.6 34.8 15.6 14.1 4.3 48 81 A G T 3 S+ 0 0 70 1,-0.2 2,-0.3 -38,-0.0 -1,-0.3 0.307 115.3 110.8 78.8 -2.5 12.6 12.5 5.9 49 82 A A E < S-H 46 0B 57 -3,-1.9 -3,-2.2 1,-0.0 2,-0.3 -0.813 75.4-110.7-109.1 140.6 14.6 10.0 8.0 50 83 A V E +H 45 0B 73 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.513 36.8 172.1 -62.4 129.1 15.1 10.1 11.7 51 84 A V E - 0 0 1 -7,-2.7 19,-2.3 1,-0.4 2,-0.3 0.575 54.9 -58.1-113.6 -19.8 18.7 11.0 12.5 52 85 A G E -HI 44 69B 5 -8,-1.2 -8,-2.6 17,-0.3 -1,-0.4 -0.985 51.5 -89.7 165.4-165.1 18.6 11.4 16.3 53 87 A T E -HI 43 68B 50 15,-2.2 15,-2.4 -2,-0.3 2,-0.4 -0.959 42.4 -89.3-141.1 153.7 17.1 13.2 19.3 54 88 A F E - I 0 67B 0 -12,-2.5 -13,-2.9 -15,-0.3 13,-0.3 -0.533 37.2-174.9 -64.9 120.0 17.7 16.3 21.3 55 88AA A E - 0 0 36 11,-2.4 2,-0.3 -2,-0.4 -1,-0.2 0.813 64.0 -12.5 -85.3 -37.4 20.0 15.2 24.1 56 89 A A E - I 0 66B 20 10,-1.2 10,-1.9 -17,-0.1 -1,-0.3 -0.973 61.2-179.9-164.2 153.5 20.1 18.5 26.1 57 90 A R E - I 0 65B 73 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.978 16.8-157.0-157.6 148.0 19.0 22.1 25.7 58 91 A V E + I 0 64B 37 6,-2.6 6,-2.3 -2,-0.3 -23,-0.3 -0.979 26.7 178.0-126.0 119.6 19.0 25.5 27.5 59 94 A F + 0 0 21 -2,-0.4 2,-0.2 4,-0.2 4,-0.2 -0.823 53.2 17.9-165.7 133.8 16.4 28.0 26.4 60 95 A P S S+ 0 0 49 0, 0.0 2,-1.9 0, 0.0 68,-0.2 0.479 122.6 39.4 -79.0-155.2 15.7 30.8 27.4 61 100 A G B S+j 128 0C 32 66,-2.6 68,-2.2 -2,-0.2 2,-0.2 -0.478 136.7 16.2 86.5 -68.6 18.5 32.3 29.5 62 101 A N S S- 0 0 51 -2,-1.9 2,-0.1 66,-0.2 68,-0.1 -0.558 78.2-139.8-106.9-174.8 20.9 30.7 27.0 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.2 -4,-0.2 -0.518 52.8 118.0-148.9 80.2 19.9 29.4 23.6 64 103 A R E + I 0 58B 19 -6,-2.3 -6,-2.6 -30,-0.3 2,-0.3 -0.978 24.6 158.2-146.1 153.1 21.8 26.1 23.0 65 104 A A E -GI 33 57B 0 -32,-1.8 -32,-2.3 -2,-0.3 2,-0.4 -0.981 21.7-143.5-161.3 164.0 21.2 22.4 22.4 66 105 A W E -GI 32 56B 16 -10,-1.9 -11,-2.4 -2,-0.3 -10,-1.2 -0.997 10.8-145.1-135.6 146.9 22.8 19.3 21.0 67 106 A V E -GI 31 54B 0 -36,-2.8 -36,-1.8 -2,-0.4 2,-0.4 -0.932 14.1-142.0-105.2 119.6 21.3 16.5 19.0 68 107 A S E -GI 30 53B 30 -15,-2.4 -15,-2.2 -2,-0.5 2,-0.3 -0.742 25.3-151.0 -84.1 132.7 22.7 13.0 19.7 69 108 A L E -GI 29 52B 14 -40,-2.9 -40,-0.5 -2,-0.4 -17,-0.3 -0.708 16.4-102.7-108.4 153.0 22.8 11.1 16.4 70 109 A T > - 0 0 63 -19,-2.3 3,-1.9 -2,-0.3 -1,-0.1 -0.336 38.6-111.1 -68.1 155.1 22.5 7.5 15.5 71 110 A S T 3 S+ 0 0 105 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.702 113.2 71.8 -65.8 -15.0 25.9 5.8 14.6 72 111 A A T 3 S+ 0 0 78 -21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.607 78.2 99.4 -72.9 -13.1 24.7 5.6 10.9 73 112 A Q S < S- 0 0 10 -3,-1.9 2,-0.7 -22,-0.2 -71,-0.2 -0.434 72.4-132.2 -74.5 153.3 25.0 9.4 10.5 74 113 A T E -a 2 0A 63 -73,-2.6 -71,-3.1 -2,-0.1 2,-0.3 -0.917 15.8-150.8-109.5 106.6 28.1 10.8 8.8 75 114 A L E -a 3 0A 30 -2,-0.7 -71,-0.1 -73,-0.2 -44,-0.1 -0.609 16.7-171.5 -76.0 135.5 29.7 13.7 10.7 76 119 A L E - 0 0 34 -73,-1.2 2,-1.7 -2,-0.3 -54,-0.5 -0.978 31.3-132.2-132.7 143.2 31.6 16.2 8.5 77 120 A P E S+ 0 0 15 0, 0.0 11,-2.7 0, 0.0 2,-0.3 -0.352 74.6 105.9 -84.8 55.4 33.8 19.2 9.4 78 120AA R E - B 0 87A 90 -2,-1.7 -73,-2.9 -75,-0.3 2,-0.4 -0.955 54.5-155.6-144.3 153.5 31.9 21.4 7.0 79 120BA V E -aB 5 86A 0 7,-1.9 7,-2.7 -2,-0.3 2,-0.2 -0.982 37.1-108.2-125.9 136.3 29.4 24.3 6.6 80 120CA A E + B 0 85A 19 -75,-3.2 2,-0.3 -2,-0.4 5,-0.2 -0.466 33.4 175.1 -69.4 134.1 27.3 24.8 3.5 81 120DA N E > - 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