==== 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 24-MAR-04 1SSX . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR C.N.FUHRMANN,D.A.AGARD . 198 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7898.0 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 0.000 360.0 360.0 360.0 157.7 22.6 11.6 6.4 2 15BA N E -a 74 0A 97 71,-0.2 2,-0.7 73,-0.0 73,-0.2 -0.786 360.0-137.6 -90.4 126.0 25.7 13.7 5.9 3 16 A I E +a 75 0A 0 71,-3.1 73,-1.2 -2,-0.5 2,-0.4 -0.777 34.7 161.5 -96.9 110.5 25.9 16.3 8.7 4 17 A V E > - 0 0 13 -2,-0.7 3,-1.6 71,-0.1 15,-0.3 -0.987 44.2-102.0-129.8 134.0 27.0 19.7 7.3 5 18 A G E 3 S+a 79 0A 0 73,-2.9 75,-3.2 -2,-0.4 15,-0.2 -0.304 103.2 25.0 -57.2 138.4 26.6 23.1 9.0 6 19 A G T 3 S+ 0 0 4 13,-2.9 -1,-0.2 1,-0.3 102,-0.1 0.189 87.5 127.7 97.1 -15.5 23.7 25.2 7.7 7 31 A I < - 0 0 47 -3,-1.6 12,-2.4 97,-0.1 -1,-0.3 -0.358 62.0 -99.9 -77.2 157.7 21.5 22.4 6.4 8 32 A E E +C 18 0B 84 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.431 39.3 171.8 -70.9 144.7 17.8 22.0 7.3 9 33 A Y E -C 17 0B 1 8,-2.3 8,-2.4 -2,-0.2 2,-0.3 -0.975 22.4-133.5-142.1 157.5 16.5 19.6 9.9 10 34 A S E -CD 16 45B 20 35,-2.3 35,-1.9 -2,-0.3 2,-0.5 -0.781 8.7-141.4-108.1 158.1 13.0 19.2 11.3 11 35 A I E >> S-CD 15 44B 10 4,-2.3 3,-2.0 -2,-0.3 4,-0.8 -0.975 80.5 -20.0-122.2 118.0 11.9 18.8 15.0 12 36 A N T 34 S- 0 0 86 31,-2.7 -1,-0.1 -2,-0.5 32,-0.1 0.841 118.3 -66.6 50.6 38.2 9.1 16.4 15.9 13 38 A N T 34 S+ 0 0 118 30,-0.5 -1,-0.3 1,-0.1 3,-0.1 0.730 129.4 75.1 63.0 24.5 7.9 16.6 12.2 14 39 A A T <4 S+ 0 0 76 -3,-2.0 -2,-0.2 1,-0.4 -1,-0.1 0.526 77.6 40.6-133.2 -95.4 7.0 20.3 12.9 15 40 A S E < -C 11 0B 77 -4,-0.8 -4,-2.3 22,-0.1 2,-0.4 -0.289 64.6-138.9 -68.1 159.4 9.5 23.2 13.1 16 41 A L E +C 10 0B 64 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.915 27.0 162.1-115.4 141.7 12.6 23.6 10.9 17 42 A a E -C 9 0B 6 -8,-2.4 -8,-2.3 -2,-0.4 2,-0.4 -0.834 33.5-105.4-141.1-176.2 16.0 24.8 12.0 18 43 A S E -C 8 0B 0 125,-2.9 16,-0.3 -2,-0.3 -10,-0.2 -0.905 31.1-108.5-119.3 143.9 19.6 24.6 10.7 19 44 A V - 0 0 0 -12,-2.4 -13,-2.9 -2,-0.4 127,-1.0 -0.457 25.2-164.5 -65.8 139.4 22.5 22.5 11.8 20 44AA G - 0 0 0 12,-2.0 2,-0.3 125,-0.3 126,-0.3 0.912 56.7 -32.4 -86.2 -78.6 25.3 24.3 13.6 21 45 A F E -E 32 0B 1 11,-0.9 11,-2.2 -16,-0.1 -1,-0.2 -0.996 55.2-107.1-148.3 145.4 28.4 22.1 13.7 22 46 A S E +E 31 0B 3 54,-0.5 174,-2.2 -2,-0.3 2,-0.3 -0.477 48.2 168.7 -64.7 134.9 29.3 18.4 13.7 23 47 A V E -EF 30 195B 0 7,-2.5 7,-2.3 172,-0.2 2,-0.3 -0.931 26.1-138.3-142.4 163.8 30.7 17.4 17.1 24 48 A T E -EF 29 194B 48 170,-2.3 170,-2.4 -2,-0.3 2,-0.3 -0.923 5.6-166.1-121.4 156.6 31.6 14.3 19.1 25 48AA R E > S-E 28 0B 125 3,-2.5 3,-2.1 -2,-0.3 2,-0.2 -0.824 72.6 -63.1-133.6 86.9 31.1 13.4 22.8 26 48BA G T 3 S- 0 0 72 -2,-0.3 -1,-0.2 1,-0.3 168,-0.1 -0.485 120.4 -14.9 61.8-129.9 33.3 10.4 23.3 27 48CA A T 3 S+ 0 0 107 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.587 117.9 101.9 -75.5 -14.1 32.0 7.8 20.9 28 49 A T E < -E 25 0B 56 -3,-2.1 -3,-2.5 1,-0.0 2,-0.3 -0.607 64.3-142.3 -80.7 132.3 28.7 9.6 20.5 29 50 A K E +EG 24 69B 64 40,-0.5 40,-2.8 -2,-0.3 2,-0.3 -0.646 34.1 150.2 -87.0 149.1 28.1 11.6 17.3 30 51 A G E -EG 23 68B 0 -7,-2.3 -7,-2.5 -2,-0.3 2,-0.3 -0.967 36.1-134.3-159.7 174.4 26.2 14.9 17.5 31 52 A F E -EG 22 67B 0 36,-1.8 36,-2.8 -2,-0.3 2,-0.3 -0.994 21.3-131.6-137.8 146.1 25.6 18.4 16.2 32 53 A V E +EG 21 66B 0 -11,-2.2 -12,-2.0 -2,-0.3 -11,-0.9 -0.643 38.0 149.4 -86.6 152.6 25.2 21.6 18.1 33 54 A T E - G 0 65B 0 32,-2.3 32,-1.8 -2,-0.3 2,-0.3 -0.844 49.4 -54.8-161.0-172.2 22.3 23.9 17.3 34 55 A A > - 0 0 0 -16,-0.3 3,-1.2 30,-0.2 30,-0.3 -0.613 36.9-135.5 -83.6 142.9 20.0 26.5 19.1 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.4 -2,-0.3 24,-0.2 0.825 101.9 63.8 -62.3 -33.2 18.1 25.6 22.2 36 57 A H G 3 S+ 0 0 62 1,-0.3 -1,-0.2 22,-0.2 3,-0.1 0.624 88.6 73.5 -72.6 -7.4 14.9 27.2 21.1 37 58 A a G < S- 0 0 9 -3,-1.2 2,-0.3 1,-0.2 -1,-0.3 0.700 109.1 -4.8 -74.0 -22.8 14.8 24.7 18.2 38 59 A G < - 0 0 7 -3,-1.4 -1,-0.2 -4,-0.3 2,-0.2 -0.966 59.4-118.3-166.8 160.5 13.8 21.7 20.4 39 59AA T > - 0 0 77 -2,-0.3 3,-2.4 1,-0.2 15,-0.3 -0.525 57.8 -71.4 -98.9 159.5 13.1 20.2 23.8 40 59BA V T 3 S+ 0 0 71 1,-0.3 15,-0.2 -2,-0.2 -1,-0.2 -0.273 121.8 15.3 -55.6 133.0 15.0 17.3 25.3 41 60 A N T 3 S+ 0 0 121 13,-2.9 -1,-0.3 1,-0.3 14,-0.1 0.265 87.8 145.3 82.3 -2.3 14.1 14.0 23.5 42 61 A A < - 0 0 3 -3,-2.4 12,-2.4 11,-0.1 2,-0.5 -0.316 52.6-112.9 -64.6 147.5 12.6 15.7 20.5 43 62 A T E - H 0 53B 34 10,-0.2 -31,-2.7 -3,-0.1 -30,-0.5 -0.696 24.4-153.2 -92.7 126.3 13.2 13.8 17.3 44 64 A A E -DH 11 52B 0 8,-2.6 7,-2.8 -2,-0.5 8,-1.2 -0.810 12.3-171.6 -96.9 136.2 15.4 15.3 14.5 45 65 A R E -DH 10 50B 59 -35,-1.9 -35,-2.3 -2,-0.4 2,-0.4 -0.970 10.0-176.8-127.2 143.9 14.9 14.4 10.8 46 66 A I E > S- H 0 49B 24 3,-2.2 3,-1.8 -2,-0.4 -37,-0.1 -0.997 77.7 -0.5-131.0 134.2 17.0 15.2 7.7 47 67 A G T 3 S- 0 0 87 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.774 131.3 -57.7 62.0 27.6 15.9 14.1 4.3 48 81 A G T 3 S+ 0 0 75 1,-0.2 2,-0.4 -38,-0.0 -1,-0.3 0.434 116.4 104.7 85.3 -2.1 12.8 12.4 5.6 49 82 A A E < S-H 46 0B 54 -3,-1.8 -3,-2.2 2,-0.0 2,-0.2 -0.898 76.7-108.2-120.1 143.3 14.7 10.1 8.0 50 83 A V E +H 45 0B 74 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.507 35.8 172.3 -63.4 130.9 15.2 10.2 11.8 51 84 A V E - 0 0 1 -7,-2.8 19,-2.4 1,-0.4 2,-0.3 0.573 55.0 -57.8-114.6 -19.8 18.8 11.1 12.5 52 85 A G E -HI 44 69B 5 -8,-1.2 -8,-2.6 17,-0.3 -1,-0.4 -0.984 51.5 -90.3 166.7-165.2 18.8 11.5 16.3 53 87 A T E -HI 43 68B 55 15,-2.1 15,-2.8 -2,-0.3 2,-0.4 -0.953 42.2 -89.8-139.3 155.6 17.2 13.3 19.3 54 88 A F E - I 0 67B 0 -12,-2.4 -13,-2.9 -15,-0.3 13,-0.3 -0.537 37.2-174.6 -66.7 119.9 17.8 16.4 21.3 55 88AA A E - 0 0 38 11,-2.4 2,-0.3 -2,-0.4 -1,-0.2 0.813 63.9 -11.7 -84.3 -34.9 20.1 15.3 24.2 56 89 A A E + I 0 66B 19 10,-1.2 10,-1.9 -17,-0.1 -1,-0.3 -0.969 61.0 179.9-165.5 151.9 20.2 18.6 26.1 57 90 A R E - I 0 65B 74 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.977 16.8-157.1-154.2 154.9 19.2 22.2 25.7 58 91 A V E + I 0 64B 38 6,-2.6 6,-2.3 -2,-0.3 -23,-0.3 -0.975 27.5 176.7-132.3 119.3 19.2 25.6 27.6 59 94 A F + 0 0 22 -2,-0.4 2,-0.2 4,-0.2 4,-0.2 -0.812 52.6 19.4-168.0 133.3 16.6 28.1 26.4 60 95 A P S S+ 0 0 49 0, 0.0 2,-1.9 0, 0.0 68,-0.2 0.493 122.8 38.7 -77.3-155.8 15.9 30.9 27.4 61 100 A G B S+j 128 0C 31 66,-2.6 68,-2.2 -2,-0.2 2,-0.2 -0.493 136.7 16.3 85.5 -67.7 18.7 32.4 29.5 62 101 A N S S- 0 0 51 -2,-1.9 2,-0.1 66,-0.2 68,-0.1 -0.545 78.3-139.3-108.9-174.8 21.1 30.8 27.1 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.2 -4,-0.2 -0.522 52.9 118.1-148.5 80.0 20.1 29.5 23.6 64 103 A R E + I 0 58B 19 -6,-2.3 -6,-2.6 -30,-0.3 2,-0.3 -0.980 24.4 157.8-145.5 154.6 22.0 26.2 23.0 65 104 A A E -GI 33 57B 0 -32,-1.8 -32,-2.3 -2,-0.3 2,-0.4 -0.982 22.2-143.2-162.6 163.8 21.4 22.5 22.4 66 105 A W E -GI 32 56B 16 -10,-1.9 -11,-2.4 -2,-0.3 -10,-1.2 -0.998 12.3-142.6-136.0 146.3 23.0 19.4 21.0 67 106 A V E -GI 31 54B 0 -36,-2.8 -36,-1.8 -2,-0.4 2,-0.5 -0.919 14.7-140.6-104.0 124.3 21.4 16.6 19.0 68 107 A S E -GI 30 53B 33 -15,-2.8 -15,-2.1 -2,-0.5 -38,-0.2 -0.770 26.7-153.8 -89.9 120.3 22.7 13.1 19.8 69 108 A L E -GI 29 52B 11 -40,-2.8 -40,-0.5 -2,-0.5 -17,-0.3 -0.619 16.6-104.3-101.2 154.2 22.9 11.2 16.4 70 109 A T > - 0 0 63 -19,-2.4 3,-1.9 -2,-0.2 -1,-0.1 -0.354 36.8-110.7 -68.0 159.4 22.7 7.6 15.5 71 110 A S T 3 S+ 0 0 105 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.742 113.6 70.1 -65.7 -20.8 26.0 5.9 14.6 72 111 A A T 3 S+ 0 0 76 2,-0.1 -1,-0.3 -21,-0.1 2,-0.1 0.599 78.5 99.8 -70.8 -14.6 24.9 5.6 11.0 73 112 A Q S < S- 0 0 11 -3,-1.9 2,-0.6 -22,-0.2 -71,-0.2 -0.423 72.5-131.0 -72.2 154.8 25.1 9.4 10.5 74 113 A T E -a 2 0A 62 -73,-2.6 -71,-3.1 -2,-0.1 2,-0.3 -0.905 16.6-151.7-111.9 107.4 28.2 10.9 8.8 75 114 A L E -a 3 0A 31 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.1 -0.608 16.2-172.2 -78.1 137.2 29.9 13.7 10.6 76 119 A L E - 0 0 32 -73,-1.2 2,-1.7 -2,-0.3 -54,-0.5 -0.980 31.7-131.6-134.7 144.3 31.7 16.3 8.4 77 120 A P E S+ 0 0 17 0, 0.0 11,-2.7 0, 0.0 2,-0.3 -0.333 74.9 105.8 -87.5 57.3 34.0 19.2 9.3 78 120AA R E - B 0 87A 87 -2,-1.7 -73,-2.9 -75,-0.3 2,-0.4 -0.964 54.1-156.4-143.5 153.2 32.1 21.5 6.9 79 120BA V E -aB 5 86A 0 7,-1.9 7,-2.6 -2,-0.3 2,-0.2 -0.978 36.9-107.9-126.8 138.4 29.6 24.3 6.6 80 120CA A E + B 0 85A 19 -75,-3.2 2,-0.3 -2,-0.4 5,-0.3 -0.462 33.1 175.3 -70.1 135.1 27.4 24.9 3.4 81 120DA N E > - 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