==== 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 25-MAY-06 2H5D . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR C.N.FUHRMANN,D.A.AGARD . 201 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7877.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 68.2 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 . 12 6.0 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 . 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 . 2 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 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 53 0, 0.0 73,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 157.6 22.3 11.5 6.3 2 15BA N E -a 74 0A 95 71,-0.2 2,-0.7 73,-0.1 73,-0.2 -0.791 360.0-137.1 -89.4 129.2 25.4 13.6 5.9 3 16 A I E +a 75 0A 0 71,-3.1 73,-1.4 -2,-0.5 2,-0.4 -0.797 34.8 161.8 -98.4 111.2 25.7 16.2 8.7 4 17 A V E > - 0 0 13 -2,-0.7 3,-1.6 71,-0.1 15,-0.3 -0.988 43.9-101.8-131.0 134.3 26.8 19.6 7.3 5 18 A G E 3 S+a 79 0A 0 73,-3.0 75,-3.1 -2,-0.4 15,-0.2 -0.304 103.6 25.7 -57.3 137.2 26.4 22.9 9.0 6 19 A G T 3 S+ 0 0 4 13,-2.9 -1,-0.2 1,-0.3 102,-0.1 0.206 87.6 127.0 98.8 -15.9 23.5 25.0 7.6 7 31 A I < - 0 0 46 -3,-1.6 12,-2.4 97,-0.1 -1,-0.3 -0.393 62.2-100.4 -78.4 156.4 21.3 22.2 6.3 8 32 A E E +C 18 0B 82 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.414 39.0 172.0 -70.1 145.0 17.6 21.8 7.3 9 33 A Y E -C 17 0B 1 8,-2.2 8,-2.5 -2,-0.1 2,-0.3 -0.972 22.4-133.5-142.2 156.5 16.3 19.4 9.9 10 34 A S E -CD 16 45B 18 35,-2.4 35,-1.9 -2,-0.3 2,-0.5 -0.781 8.3-142.0-107.9 157.6 12.8 19.0 11.3 11 35 A I E >> S-CD 15 44B 8 4,-2.4 3,-2.1 -2,-0.3 4,-0.8 -0.974 79.8 -20.8-121.9 117.6 11.8 18.6 15.0 12 36 A N T 34 S- 0 0 86 31,-2.7 -1,-0.1 -2,-0.5 32,-0.1 0.848 117.6 -66.9 49.1 40.5 8.9 16.3 15.8 13 38 A N T 34 S+ 0 0 117 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.723 129.7 74.0 60.4 24.5 7.7 16.6 12.3 14 39 A A T <4 S+ 0 0 73 -3,-2.1 -2,-0.2 1,-0.4 -1,-0.1 0.544 78.1 43.0-132.7 -91.5 6.9 20.2 12.9 15 40 A S E < -C 11 0B 74 -4,-0.8 -4,-2.4 22,-0.1 2,-0.4 -0.285 63.9-141.7 -69.1 156.9 9.4 23.0 13.2 16 41 A L E +C 10 0B 66 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.919 26.6 161.9-115.3 138.3 12.4 23.4 10.9 17 42 A a E -C 9 0B 5 -8,-2.5 -8,-2.2 -2,-0.4 2,-0.4 -0.832 33.2-105.6-138.7-175.9 15.8 24.6 12.0 18 43 A S E -C 8 0B 0 125,-3.1 16,-0.3 -2,-0.3 -10,-0.2 -0.913 30.5-108.4-119.9 145.3 19.4 24.4 10.7 19 44 A V - 0 0 0 -12,-2.4 -13,-2.9 -2,-0.4 127,-1.0 -0.468 25.7-165.7 -67.9 139.2 22.3 22.3 11.7 20 44AA G - 0 0 0 12,-2.0 2,-0.3 125,-0.3 126,-0.3 0.910 57.3 -30.1 -87.1 -77.7 25.1 24.1 13.6 21 45 A F E -E 32 0B 2 11,-0.9 11,-2.3 -16,-0.1 -1,-0.3 -0.996 55.8-108.9-147.7 143.8 28.2 21.9 13.7 22 46 A S E +E 31 0B 3 54,-0.5 174,-2.2 -2,-0.3 2,-0.3 -0.483 48.6 167.8 -64.4 134.6 29.1 18.2 13.7 23 47 A V E -EF 30 195B 0 7,-2.5 7,-2.3 172,-0.3 2,-0.3 -0.928 27.1-139.4-142.2 165.4 30.5 17.2 17.1 24 48 A T E -EF 29 194B 47 170,-2.3 170,-2.5 -2,-0.3 2,-0.4 -0.941 5.4-165.2-122.6 148.8 31.3 14.1 19.2 25 48AA R E > S-E 28 0B 150 3,-2.1 3,-2.3 -2,-0.3 168,-0.1 -0.895 76.9 -60.8-116.3 95.5 30.7 13.4 23.0 26 48BA G T 3 S- 0 0 69 -2,-0.4 -1,-0.1 166,-0.3 168,-0.1 -0.403 120.3 -14.2 61.5-132.0 33.0 10.4 23.2 27 48CA A T 3 S+ 0 0 107 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.560 115.8 103.3 -75.1 -10.5 31.7 7.7 20.8 28 49 A T E < -E 25 0B 55 -3,-2.3 -3,-2.1 1,-0.0 2,-0.2 -0.626 65.1-141.8 -82.7 130.9 28.4 9.5 20.4 29 50 A K E +EG 24 69B 65 40,-0.5 40,-2.8 -2,-0.4 2,-0.3 -0.612 34.7 149.4 -83.6 148.3 27.8 11.5 17.2 30 51 A G E -EG 23 68B 0 -7,-2.3 -7,-2.5 38,-0.2 2,-0.3 -0.971 36.5-133.7-159.5 175.6 26.0 14.8 17.4 31 52 A F E -EG 22 67B 0 36,-1.9 36,-2.8 -2,-0.3 2,-0.2 -0.994 21.3-131.2-138.0 146.7 25.4 18.2 16.1 32 53 A V E +EG 21 66B 0 -11,-2.3 -12,-2.0 -2,-0.3 -11,-0.9 -0.646 38.8 149.1 -86.9 151.6 25.0 21.5 18.0 33 54 A T E - G 0 65B 0 32,-2.2 32,-1.8 -2,-0.2 2,-0.3 -0.837 50.0 -53.5-161.0-172.2 22.1 23.8 17.2 34 55 A A > - 0 0 0 -16,-0.3 3,-1.2 30,-0.2 30,-0.3 -0.609 37.6-136.7 -82.5 141.1 19.8 26.3 19.0 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.4 -2,-0.3 24,-0.2 0.834 101.2 63.4 -62.0 -33.5 18.0 25.3 22.2 36 57 A H G 3 S+ 0 0 39 1,-0.3 -1,-0.2 22,-0.2 3,-0.1 0.656 88.5 74.0 -70.3 -13.5 14.7 26.9 21.1 37 58 A a G < S- 0 0 6 -3,-1.2 2,-0.3 1,-0.2 -1,-0.3 0.723 108.9 -1.2 -69.9 -24.3 14.5 24.4 18.2 38 59 A G < - 0 0 7 -3,-1.4 -1,-0.2 -4,-0.3 2,-0.2 -0.975 60.0-122.4-165.6 153.8 13.6 21.5 20.4 39 59AA T > - 0 0 77 -2,-0.3 3,-2.4 1,-0.2 15,-0.3 -0.534 59.1 -70.4 -90.1 159.6 12.9 20.1 23.8 40 59BA V T 3 S+ 0 0 70 1,-0.3 15,-0.2 -2,-0.2 -1,-0.2 -0.271 123.0 16.6 -55.0 133.5 14.9 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 0.282 87.4 145.7 80.9 -1.5 14.0 13.9 23.5 42 61 A A < - 0 0 2 -3,-2.4 12,-2.4 11,-0.1 2,-0.5 -0.327 52.4-113.4 -62.7 147.7 12.4 15.7 20.5 43 62 A T E - H 0 53B 34 10,-0.2 -31,-2.7 -3,-0.1 -30,-0.4 -0.709 24.3-153.5 -94.8 126.0 13.0 13.8 17.3 44 64 A A E -DH 11 52B 0 8,-2.6 7,-2.8 -2,-0.5 8,-1.3 -0.804 12.3-172.0 -97.5 136.8 15.2 15.2 14.5 45 65 A R E -DH 10 50B 59 -35,-1.9 -35,-2.4 -2,-0.4 2,-0.4 -0.967 9.8-176.9-127.7 144.6 14.7 14.2 10.9 46 66 A I E > S+ H 0 49B 23 3,-2.3 3,-1.9 -2,-0.4 -37,-0.1 -0.997 77.5 0.5-132.2 134.0 16.8 15.0 7.7 47 67 A G T 3 S- 0 0 86 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.792 131.5 -57.8 60.4 30.0 15.7 13.9 4.3 48 81 A G T 3 S+ 0 0 73 1,-0.2 2,-0.4 -38,-0.0 -1,-0.3 0.493 116.3 104.9 84.7 -6.9 12.6 12.3 5.7 49 82 A A E < S-H 46 0B 54 -3,-1.9 -3,-2.3 0, 0.0 2,-0.2 -0.907 76.8-107.6-116.3 143.2 14.4 10.0 8.0 50 83 A V E +H 45 0B 73 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.488 36.6 171.4 -62.9 129.8 15.0 10.0 11.8 51 84 A V E - 0 0 1 -7,-2.8 19,-2.4 1,-0.4 2,-0.3 0.580 55.0 -55.4-113.3 -21.1 18.6 11.0 12.5 52 85 A G E -HI 44 69B 4 -8,-1.3 -8,-2.6 17,-0.3 -1,-0.4 -0.982 51.7 -92.6 167.9-167.0 18.6 11.4 16.3 53 87 A T E -HI 43 68B 52 15,-2.1 15,-2.9 -2,-0.3 2,-0.5 -0.953 42.5 -88.9-139.2 154.7 17.0 13.2 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 37.7-174.9 -65.9 120.3 17.6 16.3 21.3 55 88AA A E - 0 0 37 11,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.828 63.7 -11.6 -83.8 -37.8 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 -0.971 62.2 177.9-162.7 155.9 20.1 18.5 26.0 57 90 A R E - I 0 65B 71 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.984 17.4-156.9-161.2 153.1 19.1 22.1 25.7 58 91 A V E + I 0 64B 36 6,-2.7 6,-2.3 -2,-0.3 -23,-0.3 -0.975 25.6 177.4-135.0 120.4 19.0 25.4 27.5 59 94 A F + 0 0 22 -2,-0.4 2,-0.2 4,-0.2 4,-0.2 -0.796 53.5 19.6-167.9 134.1 16.4 28.0 26.3 60 95 A P S S+ 0 0 48 0, 0.0 2,-1.9 0, 0.0 68,-0.2 0.506 122.8 38.3 -77.5-155.3 15.7 30.8 27.3 61 100 A G B S+j 128 0C 31 66,-2.4 68,-2.3 -2,-0.2 2,-0.2 -0.493 136.8 16.6 84.5 -66.3 18.5 32.3 29.4 62 101 A N S S- 0 0 52 -2,-1.9 2,-0.1 66,-0.2 68,-0.1 -0.551 77.6-140.4-109.9-176.9 20.8 30.7 26.9 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.2 -4,-0.2 -0.537 52.5 118.0-148.1 81.4 19.9 29.3 23.5 64 103 A R E + I 0 58B 19 -6,-2.3 -6,-2.7 -30,-0.3 2,-0.3 -0.985 24.4 157.6-146.5 153.7 21.8 26.1 22.9 65 104 A A E -GI 33 57B 0 -32,-1.8 -32,-2.2 -2,-0.3 2,-0.4 -0.983 22.4-143.2-161.9 163.4 21.2 22.4 22.3 66 105 A W E -GI 32 56B 13 -10,-1.9 -11,-2.4 -2,-0.3 -10,-1.2 -0.998 13.2-142.4-135.0 147.3 22.8 19.3 20.9 67 106 A V E -GI 31 54B 0 -36,-2.8 -36,-1.9 -2,-0.4 2,-0.5 -0.919 14.3-139.8-104.4 127.7 21.2 16.5 19.0 68 107 A S E -GI 30 53B 33 -15,-2.9 -15,-2.1 -2,-0.5 -38,-0.2 -0.784 26.6-153.7 -93.5 119.3 22.4 13.0 19.7 69 108 A L E -GI 29 52B 12 -40,-2.8 -40,-0.5 -2,-0.5 -17,-0.3 -0.595 16.2-105.6-103.1 155.2 22.6 11.1 16.4 70 109 A T > - 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