==== 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 3URD . 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) . 7912.0 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 1 A A 0 0 52 0, 0.0 73,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 155.8 22.5 11.6 6.3 2 2 A N E -a 74 0A 96 71,-0.2 2,-0.7 73,-0.0 73,-0.2 -0.806 360.0-137.5 -88.8 125.0 25.6 13.7 5.9 3 3 A I E +a 75 0A 0 71,-3.1 73,-1.2 -2,-0.5 2,-0.4 -0.781 34.8 161.2 -95.5 111.6 25.8 16.3 8.7 4 4 A V E > - 0 0 13 -2,-0.7 3,-1.5 71,-0.1 15,-0.3 -0.987 43.9-101.7-131.0 135.1 26.9 19.7 7.3 5 5 A G E 3 S+a 79 0A 0 73,-2.8 75,-3.1 -2,-0.4 15,-0.2 -0.308 103.3 25.4 -57.4 137.5 26.5 23.1 9.0 6 6 A G T 3 S+ 0 0 4 13,-3.0 -1,-0.2 1,-0.3 102,-0.1 0.193 87.7 128.0 98.2 -16.1 23.6 25.2 7.7 7 7 A I < - 0 0 44 -3,-1.5 12,-2.5 97,-0.1 -1,-0.3 -0.354 61.9-100.1 -78.1 156.6 21.4 22.4 6.3 8 8 A E E +C 18 0B 81 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.443 39.8 171.4 -71.0 142.1 17.8 22.0 7.2 9 9 A Y E -C 17 0B 1 8,-2.2 8,-2.4 -2,-0.2 2,-0.3 -0.975 22.5-133.5-140.8 156.3 16.4 19.6 9.8 10 10 A S E -CD 16 45B 19 35,-2.3 35,-1.9 -2,-0.3 2,-0.5 -0.787 8.4-141.6-107.3 156.7 12.9 19.2 11.2 11 11 A I E >> S-CD 15 44B 9 4,-2.2 3,-2.0 -2,-0.3 4,-0.8 -0.973 80.8 -20.1-121.3 119.2 11.9 18.7 14.8 12 12 A N T 34 S- 0 0 87 31,-2.7 -1,-0.1 -2,-0.5 32,-0.1 0.841 118.6 -66.5 48.1 40.7 9.0 16.4 15.7 13 13 A N T 34 S+ 0 0 117 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.709 129.5 74.0 60.8 24.6 7.9 16.6 12.1 14 14 A A T <4 S+ 0 0 74 -3,-2.0 -2,-0.2 1,-0.3 -1,-0.1 0.517 77.1 44.6-131.3 -90.2 7.0 20.3 12.6 15 15 A S E < -C 11 0B 76 -4,-0.8 -4,-2.2 22,-0.1 2,-0.4 -0.265 63.6-141.6 -67.9 155.6 9.5 23.1 13.0 16 16 A L E +C 10 0B 68 -6,-0.2 2,-0.2 -3,-0.1 -6,-0.2 -0.958 27.8 159.5-115.6 136.0 12.5 23.6 10.7 17 17 A a E -C 9 0B 7 -8,-2.4 -8,-2.2 -2,-0.4 2,-0.4 -0.767 35.0-102.4-138.6-175.1 15.9 24.8 11.9 18 18 A S E -C 8 0B 0 125,-2.9 16,-0.3 -2,-0.2 -10,-0.2 -0.905 30.2-110.5-119.3 143.0 19.5 24.7 10.7 19 19 A V - 0 0 0 -12,-2.5 -13,-3.0 -2,-0.4 127,-1.0 -0.469 24.6-164.8 -66.8 138.8 22.4 22.5 11.7 20 20 A G - 0 0 0 12,-2.0 2,-0.3 125,-0.3 126,-0.3 0.917 56.6 -31.1 -85.4 -79.9 25.2 24.3 13.6 21 21 A F E -E 32 0B 2 11,-0.9 11,-2.2 -16,-0.1 -1,-0.2 -0.997 55.2-107.6-146.7 143.9 28.2 22.0 13.7 22 22 A S E +E 31 0B 2 54,-0.5 174,-2.2 -2,-0.3 2,-0.3 -0.490 48.5 168.4 -62.4 134.0 29.2 18.3 13.7 23 23 A V E -EF 30 195B 0 7,-2.5 7,-2.2 172,-0.2 2,-0.3 -0.925 25.6-138.4-142.4 164.3 30.5 17.3 17.1 24 24 A T E -EF 29 194B 47 170,-2.3 170,-2.5 -2,-0.3 2,-0.3 -0.935 5.9-165.2-123.4 154.5 31.4 14.2 19.1 25 25 A R E > S-E 28 0B 124 3,-2.5 3,-2.2 -2,-0.3 2,-0.2 -0.828 72.5 -64.1-132.0 87.4 30.8 13.3 22.7 26 26 A G T 3 S- 0 0 72 -2,-0.3 -1,-0.2 1,-0.3 168,-0.1 -0.488 120.5 -13.8 62.2-128.3 33.1 10.3 23.2 27 27 A A T 3 S+ 0 0 108 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.582 118.1 102.0 -76.8 -11.9 31.8 7.6 20.8 28 28 A T E < -E 25 0B 56 -3,-2.2 -3,-2.5 1,-0.0 2,-0.3 -0.615 64.5-142.6 -82.3 132.0 28.5 9.5 20.4 29 29 A K E +EG 24 69B 64 40,-0.5 40,-2.9 -2,-0.4 2,-0.3 -0.641 34.2 149.5 -84.9 148.3 27.9 11.5 17.2 30 30 A G E -EG 23 68B 0 -7,-2.2 -7,-2.5 -2,-0.3 2,-0.3 -0.968 36.1-133.8-160.1 174.1 26.1 14.8 17.4 31 31 A F E -EG 22 67B 0 36,-1.8 36,-2.8 -2,-0.3 2,-0.3 -0.993 21.0-131.6-137.1 147.0 25.4 18.3 16.1 32 32 A V E +EG 21 66B 0 -11,-2.2 -12,-2.0 -2,-0.3 -11,-0.9 -0.660 37.8 149.2 -88.3 151.5 25.1 21.6 18.0 33 33 A T E - G 0 65B 0 32,-2.3 32,-1.8 -2,-0.3 2,-0.3 -0.836 49.2 -54.9-159.8-171.7 22.1 23.9 17.3 34 34 A A > - 0 0 0 -16,-0.3 3,-1.1 30,-0.2 30,-0.3 -0.609 36.9-134.3 -83.4 145.4 19.9 26.5 19.1 35 35 A G G > S+ 0 0 0 23,-0.3 3,-1.3 -2,-0.3 24,-0.2 0.821 102.9 62.1 -64.4 -34.0 18.0 25.5 22.2 36 36 A H G 3 S+ 0 0 60 1,-0.2 -1,-0.2 22,-0.2 3,-0.1 0.617 88.3 75.4 -71.6 -10.2 14.8 27.1 21.0 37 37 A a G < S- 0 0 8 -3,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.701 109.2 -9.3 -72.3 -21.6 14.7 24.7 18.1 38 38 A G < - 0 0 8 -3,-1.3 -1,-0.2 -4,-0.2 2,-0.2 -0.972 60.1-114.6-173.8 159.0 13.6 21.7 20.3 39 39 A T > - 0 0 76 -2,-0.3 3,-2.4 1,-0.1 15,-0.3 -0.553 57.9 -72.1 -98.2 160.4 12.9 20.2 23.7 40 40 A V T 3 S+ 0 0 67 1,-0.3 15,-0.2 -2,-0.2 -1,-0.1 -0.294 121.6 17.1 -56.2 134.8 14.8 17.2 25.2 41 41 A N T 3 S+ 0 0 121 13,-2.9 -1,-0.3 1,-0.3 14,-0.1 0.291 87.6 144.8 81.0 -3.3 14.0 14.0 23.4 42 42 A A < - 0 0 2 -3,-2.4 12,-2.5 1,-0.1 2,-0.4 -0.364 52.8-113.6 -64.4 145.8 12.4 15.7 20.4 43 43 A T E - H 0 53B 33 10,-0.2 -31,-2.7 -3,-0.1 -30,-0.4 -0.711 23.8-152.5 -91.8 126.6 13.1 13.8 17.1 44 44 A A E -DH 11 52B 0 8,-2.6 7,-2.7 -2,-0.4 8,-1.3 -0.808 12.9-172.3 -96.6 134.7 15.3 15.3 14.4 45 45 A R E -DH 10 50B 56 -35,-1.9 -35,-2.3 -2,-0.4 2,-0.4 -0.968 10.3-175.0-125.5 144.4 14.9 14.4 10.7 46 46 A I E > S- H 0 49B 24 3,-2.2 3,-1.8 -2,-0.4 -37,-0.1 -0.997 80.3 -0.1-132.8 132.9 16.9 15.2 7.7 47 47 A G T 3 S- 0 0 87 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.817 131.3 -60.4 59.0 31.1 15.7 14.2 4.2 48 48 A G T 3 S+ 0 0 71 1,-0.2 2,-0.4 -38,-0.0 -1,-0.3 0.353 115.2 110.5 79.4 -4.3 12.6 12.6 5.8 49 49 A A E < S-H 46 0B 57 -3,-1.8 -3,-2.2 1,-0.0 2,-0.2 -0.823 75.5-110.5-106.8 142.1 14.6 10.2 7.9 50 50 A V E +H 45 0B 73 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.507 37.4 171.1 -65.0 129.7 15.1 10.2 11.6 51 51 A V E - 0 0 1 -7,-2.7 19,-2.4 1,-0.4 2,-0.3 0.586 54.9 -54.6-114.8 -19.3 18.7 11.1 12.4 52 52 A G E -HI 44 69B 5 -8,-1.3 -8,-2.6 17,-0.3 -1,-0.4 -0.986 51.3 -91.9 168.4-166.5 18.6 11.5 16.2 53 53 A T E -HI 43 68B 55 15,-2.2 15,-2.5 -2,-0.3 2,-0.4 -0.970 42.2 -90.0-140.8 153.0 17.1 13.2 19.2 54 54 A F E - I 0 67B 0 -12,-2.5 -13,-2.9 -2,-0.3 13,-0.3 -0.506 37.3-174.9 -64.2 120.4 17.7 16.3 21.2 55 55 A A E - 0 0 38 11,-2.4 2,-0.3 -2,-0.4 12,-0.2 0.818 63.5 -12.9 -86.2 -36.8 20.0 15.3 24.1 56 56 A A E + I 0 66B 21 10,-1.2 10,-1.9 -17,-0.1 -1,-0.3 -0.971 61.0 179.9-165.0 153.0 20.1 18.5 26.0 57 57 A R E - I 0 65B 74 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.977 16.9-156.6-158.8 147.0 19.1 22.2 25.7 58 58 A V E + I 0 64B 37 6,-2.6 6,-2.3 -2,-0.3 -23,-0.3 -0.984 27.3 177.6-125.7 119.3 19.1 25.5 27.6 59 59 A F + 0 0 22 -2,-0.4 2,-0.2 4,-0.2 4,-0.2 -0.811 53.1 19.1-167.3 132.9 16.5 28.1 26.4 60 60 A P S S+ 0 0 48 0, 0.0 2,-1.8 0, 0.0 68,-0.2 0.503 122.7 38.7 -77.8-154.9 15.8 30.8 27.4 61 61 A G B S+j 128 0C 32 66,-2.4 68,-2.2 -2,-0.2 2,-0.2 -0.503 136.5 16.3 84.4 -67.6 18.6 32.3 29.5 62 62 A N S S- 0 0 51 -2,-1.8 2,-0.1 66,-0.2 68,-0.1 -0.542 78.5-139.6-107.8-174.7 21.0 30.7 27.0 63 63 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.2 -4,-0.2 -0.543 52.6 117.9-147.8 81.0 20.0 29.4 23.6 64 64 A R E + I 0 58B 21 -6,-2.3 -6,-2.6 -30,-0.3 2,-0.3 -0.982 24.8 158.6-146.9 153.7 21.8 26.2 23.0 65 65 A A E -GI 33 57B 0 -32,-1.8 -32,-2.3 -2,-0.3 2,-0.4 -0.980 21.5-143.7-161.3 163.3 21.3 22.5 22.3 66 66 A W E -GI 32 56B 16 -10,-1.9 -11,-2.4 -2,-0.3 -10,-1.2 -0.996 11.4-144.1-135.7 148.7 22.8 19.4 20.9 67 67 A V E -GI 31 54B 0 -36,-2.8 -36,-1.8 -2,-0.4 2,-0.4 -0.934 14.0-141.0-107.8 121.4 21.3 16.5 19.0 68 68 A S E -GI 30 53B 35 -15,-2.5 -15,-2.2 -2,-0.5 2,-0.3 -0.746 26.0-152.8 -83.6 129.5 22.6 13.0 19.6 69 69 A L E -GI 29 52B 12 -40,-2.9 -40,-0.5 -2,-0.4 -17,-0.3 -0.694 16.2-103.4-108.6 155.4 22.7 11.1 16.3 70 70 A T > - 0 0 64 -19,-2.4 3,-1.9 -2,-0.3 -1,-0.1 -0.349 37.8-109.7 -70.1 158.5 22.5 7.5 15.4 71 71 A S T 3 S+ 0 0 106 1,-0.3 -1,-0.1 -2,-0.0 -2,-0.0 0.729 113.9 70.3 -63.8 -21.4 25.8 5.8 14.4 72 72 A A T 3 S+ 0 0 76 2,-0.1 -1,-0.3 -21,-0.1 2,-0.1 0.611 78.3 99.3 -69.9 -15.0 24.6 5.6 10.8 73 73 A Q S < S- 0 0 10 -3,-1.9 2,-0.7 -22,-0.2 -71,-0.2 -0.420 71.8-132.5 -74.5 152.0 25.0 9.4 10.4 74 74 A T E -a 2 0A 63 -73,-2.6 -71,-3.1 -2,-0.1 2,-0.3 -0.911 15.8-150.7-109.9 108.0 28.1 10.8 8.7 75 75 A L E -a 3 0A 30 -2,-0.7 -71,-0.1 -73,-0.2 -44,-0.1 -0.618 16.8-171.9 -77.7 135.0 29.7 13.7 10.6 76 76 A L E - 0 0 32 -73,-1.2 2,-1.8 -2,-0.3 -54,-0.5 -0.981 31.7-131.9-132.7 142.2 31.6 16.2 8.4 77 77 A P E S+ 0 0 17 0, 0.0 11,-2.7 0, 0.0 2,-0.3 -0.355 74.4 108.1 -85.1 58.4 33.9 19.2 9.3 78 78 A R E - B 0 87A 90 -2,-1.8 -73,-2.8 -75,-0.3 2,-0.4 -0.939 53.6-157.7-142.7 152.0 32.0 21.4 6.9 79 79 A V E -aB 5 86A 0 7,-1.8 7,-2.7 -2,-0.3 2,-0.2 -0.988 37.1-109.1-127.6 136.8 29.5 24.3 6.6 80 80 A A E + B 0 85A 19 -75,-3.1 2,-0.3 -2,-0.4 5,-0.2 -0.472 33.2 175.0 -69.7 133.0 27.4 24.8 3.5 81 81 A N E > - 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