==== 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 3URE . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR B.A.KELCH,D.A.AGARD . 396 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15218.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 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 . 8 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 22 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 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 2 2 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 6 4 6 6 6 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 2 0 0 0 0 2 2 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 53 0, 0.0 73,-2.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 157.0 -32.0 35.4 -1.0 2 15BA N E -a 74 0A 99 71,-0.2 2,-0.8 73,-0.1 73,-0.2 -0.720 360.0-142.5 -82.3 120.3 -30.8 35.0 -4.6 3 16 A I E +a 75 0A 0 71,-3.4 73,-1.8 -2,-0.6 2,-0.3 -0.776 34.7 158.6 -89.7 113.1 -28.1 32.4 -4.6 4 17 A V E > - 0 0 20 -2,-0.8 3,-1.6 71,-0.1 15,-0.3 -0.991 45.1-100.6-138.1 136.5 -25.4 33.5 -7.1 5 18 A G E 3 S+a 79 0A 0 73,-3.1 75,-3.2 -2,-0.3 15,-0.2 -0.290 103.6 24.6 -57.9 140.7 -21.7 32.4 -7.4 6 19 A G T 3 S+ 0 0 5 13,-3.3 -1,-0.2 1,-0.3 102,-0.1 0.252 87.9 129.3 94.6 -16.9 -19.3 34.9 -5.9 7 31 A I < - 0 0 44 -3,-1.6 12,-2.3 1,-0.1 -1,-0.3 -0.430 61.9 -98.1 -76.8 158.7 -21.5 36.6 -3.4 8 32 A E E +C 18 0B 90 10,-0.2 2,-0.3 96,-0.1 39,-0.3 -0.410 41.5 170.0 -69.4 137.3 -20.7 37.1 0.2 9 33 A Y E -C 17 0B 1 8,-2.3 8,-2.4 -2,-0.2 2,-0.3 -0.979 22.4-136.5-138.2 156.5 -22.0 34.9 3.0 10 34 A S E -CD 16 45B 16 35,-2.5 35,-2.1 -2,-0.3 2,-0.4 -0.812 8.7-146.5-107.6 156.8 -21.1 34.7 6.7 11 35 A I E >> S-CD 15 44B 0 4,-2.2 3,-2.1 -2,-0.3 4,-1.8 -0.979 80.2 -11.4-124.4 127.7 -20.5 31.6 8.8 12 36 A N T 34 S- 0 0 76 31,-2.2 -1,-0.1 -2,-0.4 32,-0.1 0.747 113.4 -80.4 57.9 21.1 -21.4 31.4 12.5 13 38 A N T 34 S+ 0 0 118 30,-0.5 -1,-0.3 2,-0.2 3,-0.1 0.868 126.7 83.2 53.2 40.0 -22.0 35.2 12.3 14 39 A A T <4 S+ 0 0 82 -3,-2.1 2,-0.3 1,-0.4 -2,-0.2 0.589 82.5 34.1-140.0 -36.8 -18.2 35.4 12.6 15 40 A S E < -C 11 0B 51 -4,-1.8 -4,-2.2 22,-0.1 2,-0.4 -0.853 63.5-132.2-132.6 163.2 -16.4 34.8 9.3 16 41 A L E +C 10 0B 70 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.940 27.1 154.6-119.7 144.5 -16.9 35.6 5.6 17 42 A a E -C 9 0B 9 -8,-2.4 -8,-2.3 -2,-0.4 2,-0.4 -0.846 36.3-102.9-147.9-175.6 -16.6 33.5 2.5 18 43 A S E -C 8 0B 0 125,-2.8 16,-0.3 -2,-0.3 -10,-0.2 -0.905 31.1-110.9-119.2 144.7 -17.9 33.5 -1.1 19 44 A V - 0 0 0 -12,-2.3 -13,-3.3 -2,-0.4 127,-0.8 -0.482 24.3-163.6 -68.7 140.6 -20.6 31.3 -2.7 20 44AA G - 0 0 0 12,-2.1 2,-0.3 125,-0.3 126,-0.3 0.933 57.7 -30.3 -85.8 -77.0 -19.3 28.7 -5.3 21 45 A F E -E 32 0B 2 11,-0.9 11,-2.2 -16,-0.1 -1,-0.3 -0.998 56.3-106.8-147.5 143.3 -22.3 27.5 -7.3 22 46 A S E +E 31 0B 4 54,-0.4 174,-2.2 -2,-0.3 2,-0.3 -0.479 49.1 168.4 -60.3 133.0 -26.0 26.9 -6.9 23 47 A V E -EF 30 195B 0 7,-2.5 7,-2.2 172,-0.2 2,-0.3 -0.929 24.9-141.1-142.0 161.5 -26.7 23.1 -6.7 24 48 A T E -EF 29 194B 44 170,-2.1 170,-2.7 -2,-0.3 2,-0.4 -0.953 6.2-163.4-121.5 154.4 -29.6 20.8 -5.8 25 48AA R E > S-E 28 0B 119 3,-2.6 3,-2.1 -2,-0.3 2,-0.2 -0.864 74.3 -60.5-128.5 95.1 -29.6 17.5 -4.0 26 48BA G T 3 S- 0 0 71 -2,-0.4 -1,-0.1 1,-0.3 168,-0.1 -0.485 120.8 -17.5 57.1-123.8 -33.0 16.1 -5.0 27 48CA A T 3 S+ 0 0 103 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.586 117.1 104.0 -85.5 -7.3 -35.5 18.6 -3.8 28 49 A T E < -E 25 0B 47 -3,-2.1 -3,-2.6 1,-0.0 2,-0.2 -0.556 64.3-142.8 -80.5 128.9 -32.9 20.2 -1.4 29 50 A K E +EG 24 69B 65 40,-0.5 40,-2.8 -2,-0.4 2,-0.3 -0.614 34.3 146.5 -85.4 149.1 -31.5 23.5 -2.5 30 51 A G E -EG 23 68B 0 -7,-2.2 -7,-2.5 38,-0.2 2,-0.3 -0.973 37.2-129.0-161.7 178.4 -27.8 24.2 -1.8 31 52 A F E -EG 22 67B 0 36,-1.8 36,-2.7 -2,-0.3 2,-0.3 -0.995 20.7-130.9-136.9 145.3 -24.6 25.9 -2.8 32 53 A V E +EG 21 66B 0 -11,-2.2 -12,-2.1 -2,-0.3 -11,-0.9 -0.667 38.3 150.8 -85.3 151.0 -21.0 24.4 -3.0 33 54 A T E - G 0 65B 0 32,-2.1 32,-1.7 -2,-0.3 2,-0.2 -0.831 48.6 -57.3-159.0-171.1 -18.2 26.3 -1.4 34 55 A A > - 0 0 0 -16,-0.3 3,-0.9 -2,-0.2 30,-0.3 -0.592 37.4-133.0 -84.5 146.8 -14.8 25.6 0.3 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.4 -2,-0.2 24,-0.2 0.859 103.3 61.5 -65.1 -38.5 -14.5 23.2 3.2 36 57 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.2 22,-0.2 23,-0.1 0.677 89.3 76.1 -69.4 -9.2 -12.3 25.5 5.3 37 58 A a G < S- 0 0 7 -3,-0.9 2,-0.3 -19,-0.1 -1,-0.3 0.744 108.3 -7.6 -68.8 -29.0 -15.1 28.0 5.3 38 59 A G < - 0 0 4 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.1 -0.935 60.6-117.8-158.2 177.5 -17.2 26.2 7.8 39 59AA T > - 0 0 9 -2,-0.3 3,-2.4 1,-0.0 15,-0.3 -0.849 55.7 -70.3-122.0 157.4 -17.8 23.1 10.0 40 59BA V T 3 S+ 0 0 9 329,-2.5 333,-0.3 -2,-0.3 15,-0.2 -0.307 121.8 14.1 -56.2 132.5 -20.7 20.7 9.9 41 60 A N T 3 S+ 0 0 78 13,-2.8 -1,-0.3 1,-0.3 14,-0.1 0.244 89.0 146.2 81.1 -1.1 -23.9 22.4 11.2 42 61 A A < - 0 0 4 -3,-2.4 12,-2.4 12,-0.1 2,-0.4 -0.334 52.0-114.0 -64.8 141.1 -22.4 25.9 11.0 43 62 A T E - H 0 53B 42 10,-0.2 -31,-2.2 -3,-0.1 -30,-0.5 -0.665 24.5-154.2 -83.5 129.8 -25.0 28.6 10.1 44 64 A A E -DH 11 52B 0 8,-2.5 7,-2.6 -2,-0.4 8,-1.3 -0.839 12.7-172.2-100.6 136.6 -24.8 30.5 6.8 45 65 A R E -DH 10 50B 57 -35,-2.1 -35,-2.5 -2,-0.4 2,-0.4 -0.976 13.7-164.5-129.9 142.8 -26.2 34.0 6.4 46 66 A I E > S+ H 0 49B 28 3,-2.4 3,-1.6 -2,-0.4 -37,-0.1 -0.994 87.2 0.7-122.6 129.4 -26.7 36.2 3.5 47 67 A G T 3 S- 0 0 84 -2,-0.4 -1,-0.1 -39,-0.3 3,-0.1 0.741 131.8 -63.4 59.0 32.0 -27.4 39.8 4.2 48 81 A G T 3 S+ 0 0 57 1,-0.3 2,-0.3 -38,-0.0 -1,-0.3 0.371 114.6 112.4 76.4 -3.2 -27.2 38.9 7.9 49 82 A A E < S-H 46 0B 57 -3,-1.6 -3,-2.4 1,-0.0 -1,-0.3 -0.784 76.5-101.2-106.3 138.3 -30.2 36.6 7.7 50 83 A V E +H 45 0B 78 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.402 42.8 164.1 -59.6 128.7 -30.1 32.8 8.0 51 84 A V E - 0 0 4 -7,-2.6 19,-2.4 1,-0.4 2,-0.3 0.524 59.5 -57.3-116.8 -19.4 -30.2 30.9 4.7 52 85 A G E -HI 44 69B 7 -8,-1.3 -8,-2.5 17,-0.3 -1,-0.4 -0.982 51.6 -90.6 166.9-164.7 -29.0 27.4 5.7 53 87 A T E -HI 43 68B 54 15,-2.0 15,-2.4 -2,-0.3 2,-0.5 -0.954 42.4 -86.6-137.6 156.8 -26.3 25.3 7.3 54 88 A F E - I 0 67B 0 -12,-2.4 -13,-2.8 -15,-0.3 13,-0.3 -0.542 37.5-175.7 -66.3 116.0 -23.1 23.4 6.4 55 88AA A E - 0 0 39 11,-2.2 2,-0.3 -2,-0.5 -1,-0.2 0.831 63.6 -12.2 -80.2 -37.4 -24.2 20.0 5.4 56 89 A A E + I 0 66B 20 10,-1.2 10,-1.8 -17,-0.1 -1,-0.3 -0.970 62.0 177.6-162.8 153.0 -20.9 18.4 4.8 57 90 A R E - I 0 65B 20 313,-0.3 2,-0.4 -2,-0.3 8,-0.3 -0.975 16.2-157.2-159.3 152.9 -17.2 19.4 4.5 58 91 A V E - I 0 64B 29 6,-2.6 6,-2.2 -2,-0.3 -23,-0.3 -0.983 23.1-179.9-132.2 121.2 -13.8 18.0 4.0 59 94 A F + 0 0 15 -2,-0.4 2,-0.2 4,-0.2 310,-0.2 -0.807 53.9 19.6-167.0 132.9 -10.7 20.0 5.1 60 95 A P S S+ 0 0 12 0, 0.0 2,-1.7 0, 0.0 68,-0.2 0.498 121.7 36.5 -81.4-153.5 -7.8 19.5 5.0 61 100 A G B S+j 128 0C 22 66,-2.6 68,-2.4 -2,-0.2 2,-0.2 -0.524 135.6 18.7 83.4 -70.9 -6.8 16.8 2.5 62 101 A N S S- 0 0 56 -2,-1.7 2,-0.1 66,-0.2 68,-0.1 -0.541 77.2-142.3-104.3-177.2 -9.5 18.1 0.3 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.2 -4,-0.2 -0.559 51.6 117.6-146.4 83.9 -11.1 21.6 0.5 64 103 A R E + I 0 58B 24 -6,-2.2 -6,-2.6 -30,-0.3 2,-0.3 -0.980 24.1 155.5-150.7 154.2 -14.8 21.2 -0.2 65 104 A A E -GI 33 57B 0 -32,-1.7 -32,-2.1 -2,-0.3 2,-0.3 -0.982 22.3-142.9-163.2 164.2 -18.2 21.7 1.4 66 105 A W E -GI 32 56B 6 -10,-1.8 -11,-2.2 -2,-0.3 -10,-1.2 -0.995 11.3-142.2-137.8 152.9 -21.9 22.3 0.6 67 106 A V E -GI 31 54B 0 -36,-2.7 -36,-1.8 -2,-0.3 2,-0.5 -0.928 15.1-140.9-110.4 122.2 -24.5 24.4 2.4 68 107 A S E -GI 30 53B 37 -15,-2.4 -15,-2.0 -2,-0.5 -38,-0.2 -0.802 26.4-153.5 -86.3 128.8 -28.0 23.0 2.6 69 108 A L E -GI 29 52B 12 -40,-2.8 -40,-0.5 -2,-0.5 -17,-0.3 -0.665 16.5-103.2-109.1 152.7 -30.5 25.9 2.1 70 109 A T > - 0 0 66 -19,-2.4 3,-1.8 -2,-0.2 -1,-0.1 -0.361 38.5-111.2 -64.0 159.3 -34.1 26.6 3.2 71 110 A S T 3 S+ 0 0 101 1,-0.3 -1,-0.1 -2,-0.0 -2,-0.0 0.738 112.4 71.5 -69.1 -19.3 -36.7 26.2 0.4 72 111 A A T 3 S+ 0 0 76 2,-0.1 -1,-0.3 -21,-0.1 -2,-0.0 0.669 76.8 102.5 -65.3 -18.6 -37.3 29.9 0.5 73 112 A Q S < S- 0 0 13 -3,-1.8 2,-0.6 -22,-0.2 -71,-0.2 -0.364 70.7-132.8 -70.3 152.0 -33.9 30.5 -1.2 74 113 A T E -a 2 0A 65 -73,-2.7 -71,-3.4 -45,-0.0 2,-0.4 -0.925 15.9-151.6-110.9 105.6 -33.8 31.3 -4.9 75 114 A L E -a 3 0A 30 -2,-0.6 -71,-0.1 -73,-0.2 -73,-0.1 -0.624 14.3-172.6 -78.4 129.6 -31.2 29.3 -6.8 76 119 A L E - 0 0 33 -73,-1.8 2,-1.8 -2,-0.4 -54,-0.4 -0.968 30.6-131.3-120.3 141.1 -29.8 31.0 -9.9 77 120 A P E S+ 0 0 27 0, 0.0 11,-2.7 0, 0.0 2,-0.3 -0.407 73.4 114.6 -83.1 64.6 -27.5 29.5 -12.6 78 120AA R E - B 0 87A 90 -2,-1.8 -73,-3.1 -75,-0.3 2,-0.4 -0.935 55.8-155.2-142.2 151.2 -25.2 32.5 -12.3 79 120BA V E -aB 5 86A 0 7,-2.0 7,-2.6 -2,-0.3 -73,-0.2 -0.997 38.2-113.2-121.8 128.6 -21.8 33.8 -11.2 80 120CA A E + B 0 85A 24 -75,-3.2 5,-0.3 -2,-0.4 2,-0.2 -0.415 33.0 176.4 -65.8 137.1 -21.5 37.5 -10.3 81 120DA N E > - 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