==== 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 25-MAY-06 2H5C . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR C.N.FUHRMANN,M.D.DAUGHERTY,D.A.AGARD . 198 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7884.0 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 0.000 360.0 360.0 360.0 158.0 22.5 11.6 6.4 2 15BA N E -a 74 0A 96 71,-0.2 2,-0.7 73,-0.0 73,-0.2 -0.786 360.0-137.8 -90.1 127.3 25.6 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 -0.765 34.7 161.5 -98.0 110.6 25.8 16.3 8.7 4 17 A V E > - 0 0 13 -2,-0.7 3,-1.6 71,-0.1 15,-0.3 -0.989 44.0-102.2-129.8 133.9 26.9 19.7 7.3 5 18 A G E 3 S+a 79 0A 0 73,-3.0 75,-3.2 -2,-0.4 15,-0.2 -0.298 103.2 24.8 -57.3 138.7 26.5 23.0 9.0 6 19 A G T 3 S+ 0 0 4 13,-3.0 -1,-0.2 1,-0.3 102,-0.1 0.192 87.5 127.7 96.8 -16.1 23.6 25.1 7.7 7 31 A I < - 0 0 46 -3,-1.6 12,-2.5 97,-0.1 -1,-0.3 -0.357 62.3 -99.7 -75.9 157.4 21.4 22.3 6.3 8 32 A E E +C 18 0B 82 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.431 39.3 172.6 -70.9 145.1 17.8 21.9 7.3 9 33 A Y E -C 17 0B 1 8,-2.3 8,-2.3 -2,-0.1 2,-0.3 -0.973 22.0-134.0-141.7 156.9 16.4 19.5 9.8 10 34 A S E -CD 16 45B 19 35,-2.3 35,-1.9 -2,-0.3 2,-0.5 -0.789 8.5-141.5-107.8 158.1 12.9 19.1 11.3 11 35 A I E >> S-CD 15 44B 10 4,-2.3 3,-2.0 -2,-0.3 4,-0.8 -0.971 80.2 -20.1-122.9 117.8 11.9 18.7 14.9 12 36 A N T 34 S- 0 0 85 31,-2.7 -1,-0.2 -2,-0.5 32,-0.1 0.846 118.2 -66.5 49.1 40.3 9.0 16.3 15.8 13 38 A N T 34 S+ 0 0 117 30,-0.5 -1,-0.3 1,-0.1 3,-0.1 0.736 129.5 74.8 62.0 25.6 7.9 16.6 12.2 14 39 A A T <4 S+ 0 0 74 -3,-2.0 -2,-0.2 1,-0.4 -1,-0.1 0.524 77.4 41.5-134.5 -95.8 7.0 20.2 12.8 15 40 A S E < -C 11 0B 76 -4,-0.8 -4,-2.3 22,-0.1 2,-0.4 -0.276 64.1-140.5 -67.7 158.4 9.5 23.1 13.1 16 41 A L E +C 10 0B 62 -6,-0.2 -6,-0.2 -3,-0.1 2,-0.2 -0.980 27.4 160.9-118.5 138.9 12.5 23.5 10.8 17 42 A a E -C 9 0B 7 -8,-2.3 -8,-2.3 -2,-0.4 2,-0.4 -0.689 34.4-103.5-139.1-175.1 15.9 24.7 12.0 18 43 A S E -C 8 0B 0 125,-3.0 16,-0.3 -10,-0.2 -10,-0.2 -0.906 30.4-108.9-120.0 144.2 19.5 24.6 10.7 19 44 A V - 0 0 0 -12,-2.5 -13,-3.0 -2,-0.4 127,-1.0 -0.459 25.0-164.6 -66.1 139.6 22.4 22.4 11.7 20 44AA G - 0 0 0 12,-2.0 2,-0.3 125,-0.3 126,-0.3 0.912 56.8 -32.2 -86.4 -78.4 25.2 24.2 13.6 21 45 A F E -E 32 0B 1 11,-0.9 11,-2.3 -16,-0.1 -1,-0.3 -0.996 55.2-107.1-148.3 145.0 28.3 22.0 13.6 22 46 A S E +E 31 0B 3 54,-0.5 174,-2.2 -2,-0.3 2,-0.3 -0.483 48.3 168.5 -63.8 135.2 29.2 18.3 13.7 23 47 A V E -EF 30 195B 0 7,-2.5 7,-2.3 172,-0.2 2,-0.3 -0.928 25.8-137.8-142.9 164.0 30.6 17.3 17.1 24 48 A T E -EF 29 194B 47 170,-2.3 170,-2.5 -2,-0.3 2,-0.3 -0.928 5.5-165.3-122.5 157.0 31.5 14.2 19.0 25 48AA R E > S-E 28 0B 124 3,-2.6 3,-2.3 -2,-0.3 2,-0.2 -0.831 72.1 -63.8-134.1 88.3 30.9 13.3 22.7 26 48BA G T 3 S- 0 0 71 -2,-0.3 -1,-0.2 1,-0.3 168,-0.1 -0.489 120.5 -14.8 59.4-129.5 33.2 10.4 23.2 27 48CA A T 3 S+ 0 0 100 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.583 118.4 101.7 -75.9 -13.2 31.9 7.7 20.9 28 49 A T E < -E 25 0B 62 -3,-2.3 -3,-2.6 1,-0.0 2,-0.3 -0.607 64.4-142.7 -81.9 132.8 28.6 9.6 20.4 29 50 A K E +EG 24 69B 62 40,-0.5 40,-2.7 -2,-0.4 2,-0.3 -0.646 33.7 149.9 -87.1 149.1 28.0 11.6 17.2 30 51 A G E -EG 23 68B 0 -7,-2.3 -7,-2.5 -2,-0.3 2,-0.3 -0.969 36.1-133.8-159.2 174.7 26.1 14.8 17.4 31 52 A F E -EG 22 67B 0 36,-1.8 36,-2.9 -2,-0.3 2,-0.3 -0.994 21.6-131.3-137.3 146.4 25.5 18.3 16.1 32 53 A V E +EG 21 66B 0 -11,-2.3 -12,-2.0 -2,-0.3 -11,-0.9 -0.647 38.0 149.9 -86.4 152.3 25.1 21.6 18.0 33 54 A T E - G 0 65B 0 32,-2.3 32,-1.8 -2,-0.3 2,-0.3 -0.840 49.4 -56.1-160.5-172.3 22.2 23.9 17.3 34 55 A A > - 0 0 0 -16,-0.3 3,-1.2 30,-0.2 30,-0.3 -0.621 36.9-135.0 -84.2 144.1 20.0 26.4 19.0 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.4 -2,-0.3 24,-0.2 0.826 101.8 63.7 -63.9 -32.8 18.1 25.5 22.2 36 57 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 22,-0.2 3,-0.1 0.629 88.3 73.8 -71.4 -9.8 14.8 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 0.708 109.2 -5.3 -75.0 -20.1 14.7 24.6 18.1 38 59 A G < - 0 0 7 -3,-1.4 -1,-0.2 -4,-0.3 2,-0.2 -0.978 59.8-117.1-171.3 155.4 13.7 21.6 20.3 39 59AA T > - 0 0 70 -2,-0.3 3,-2.5 1,-0.1 15,-0.3 -0.551 57.8 -71.4 -89.8 159.3 13.0 20.1 23.7 40 59BA V T 3 S+ 0 0 70 1,-0.3 15,-0.2 -2,-0.2 -1,-0.1 -0.302 121.7 15.3 -54.7 133.3 14.9 17.2 25.2 41 60 A N T 3 S+ 0 0 123 13,-2.9 -1,-0.3 1,-0.3 14,-0.1 0.260 87.9 145.7 81.6 -2.1 14.1 14.0 23.5 42 61 A A < - 0 0 3 -3,-2.5 12,-2.4 12,-0.1 2,-0.5 -0.326 52.5-112.3 -64.6 148.0 12.5 15.7 20.4 43 62 A T E - H 0 53B 36 10,-0.2 -31,-2.7 -3,-0.1 -30,-0.5 -0.697 24.8-153.4 -91.8 126.9 13.2 13.8 17.2 44 64 A A E -DH 11 52B 0 8,-2.6 7,-2.8 -2,-0.5 8,-1.2 -0.809 12.2-171.9 -98.4 135.9 15.4 15.3 14.5 45 65 A R E -DH 10 50B 56 -35,-1.9 -35,-2.3 -2,-0.4 2,-0.4 -0.971 10.2-176.3-126.4 143.8 14.9 14.4 10.8 46 66 A I E > S- H 0 49B 23 3,-2.2 3,-2.1 -2,-0.4 -37,-0.1 -0.998 78.6 -0.1-129.8 135.8 17.0 15.1 7.7 47 67 A G T 3 S- 0 0 87 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.799 131.1 -58.5 61.4 26.2 15.8 14.1 4.3 48 81 A G T 3 S+ 0 0 74 1,-0.2 2,-0.4 -38,-0.0 -1,-0.3 0.386 116.3 106.0 88.5 -6.1 12.7 12.5 5.7 49 82 A A E < S-H 46 0B 55 -3,-2.1 -3,-2.2 2,-0.0 2,-0.3 -0.860 76.6-109.1-115.8 141.2 14.6 10.1 8.0 50 83 A V E +H 45 0B 73 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.520 35.9 172.4 -62.1 130.3 15.2 10.1 11.7 51 84 A V E - 0 0 1 -7,-2.8 19,-2.4 1,-0.4 2,-0.3 0.566 55.0 -57.5-114.7 -19.1 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 -0.985 51.8 -91.3 166.0-164.9 18.7 11.5 16.3 53 87 A T E -HI 43 68B 49 15,-2.1 15,-2.7 -2,-0.3 2,-0.5 -0.954 42.3 -88.6-139.9 156.0 17.1 13.3 19.2 54 88 A F E - I 0 67B 0 -12,-2.4 -13,-2.9 -15,-0.3 13,-0.3 -0.551 37.3-174.3 -66.3 119.7 17.8 16.4 21.3 55 88AA A E - 0 0 35 11,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.811 63.5 -15.3 -83.7 -35.7 20.1 15.3 24.1 56 89 A A E + I 0 66B 20 10,-1.2 10,-1.9 -17,-0.1 -1,-0.3 -0.969 60.8 178.3-166.0 152.1 20.1 18.5 26.0 57 90 A R E - I 0 65B 81 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.980 18.4-152.8-157.2 159.1 19.2 22.2 25.7 58 91 A V E + I 0 64B 37 6,-2.6 6,-2.3 -2,-0.3 -23,-0.3 -0.969 28.0 177.6-132.1 119.3 19.2 25.5 27.5 59 94 A F + 0 0 25 -2,-0.4 2,-0.2 4,-0.2 4,-0.2 -0.818 53.2 19.7-167.8 134.2 16.6 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 0.500 123.0 38.6 -76.8-155.9 15.8 30.8 27.3 61 100 A G B S+j 128 0C 31 66,-2.6 68,-2.3 -2,-0.2 2,-0.2 -0.495 136.7 16.5 85.3 -66.6 18.6 32.3 29.4 62 101 A N S S- 0 0 51 -2,-1.9 2,-0.1 66,-0.2 68,-0.1 -0.553 78.0-139.7-108.3-175.3 21.0 30.7 27.0 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.2 -4,-0.2 -0.536 53.0 117.5-148.7 79.9 20.1 29.4 23.5 64 103 A R E + I 0 58B 20 -6,-2.3 -6,-2.6 -30,-0.3 2,-0.3 -0.981 24.5 157.6-145.6 154.5 21.9 26.1 22.9 65 104 A A E -GI 33 57B 0 -32,-1.8 -32,-2.3 -2,-0.3 2,-0.4 -0.981 22.5-142.3-162.5 164.2 21.3 22.4 22.3 66 105 A W E -GI 32 56B 16 -10,-1.9 -11,-2.4 -2,-0.3 -10,-1.2 -0.998 11.0-144.7-136.2 145.8 22.9 19.4 20.9 67 106 A V E -GI 31 54B 0 -36,-2.9 -36,-1.8 -2,-0.4 2,-0.6 -0.915 14.7-142.4-102.7 122.8 21.3 16.5 18.9 68 107 A S E -GI 30 53B 31 -15,-2.7 -15,-2.1 -2,-0.5 -38,-0.2 -0.793 24.8-152.9 -94.1 125.9 22.7 13.1 19.6 69 108 A L E -GI 29 52B 12 -40,-2.7 -40,-0.5 -2,-0.6 -17,-0.3 -0.595 17.0-101.4-100.7 154.6 22.8 11.2 16.4 70 109 A T > - 0 0 64 -19,-2.4 3,-2.0 -2,-0.2 -1,-0.1 -0.340 38.1-111.2 -68.3 158.2 22.6 7.6 15.5 71 110 A S T 3 S+ 0 0 97 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.744 113.2 70.6 -66.9 -18.2 26.0 5.9 14.6 72 111 A A T 3 S+ 0 0 80 2,-0.1 -1,-0.3 -21,-0.1 2,-0.1 0.634 78.2 99.6 -72.0 -12.1 24.8 5.6 11.0 73 112 A Q S < S- 0 0 11 -3,-2.0 2,-0.7 -22,-0.2 -71,-0.2 -0.402 73.0-130.3 -74.9 155.6 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 -0.902 16.8-151.8-112.1 107.8 28.1 10.8 8.7 75 114 A L E -a 3 0A 31 -2,-0.7 -71,-0.1 -73,-0.2 -44,-0.1 -0.608 16.3-172.4 -78.1 137.0 29.8 13.7 10.6 76 119 A L E - 0 0 33 -73,-1.2 2,-1.8 -2,-0.3 -54,-0.5 -0.983 32.1-131.1-135.0 144.4 31.6 16.2 8.4 77 120 A P E S+ 0 0 17 0, 0.0 11,-2.7 0, 0.0 2,-0.3 -0.346 75.0 106.4 -86.7 56.7 33.9 19.2 9.2 78 120AA R E - B 0 87A 87 -2,-1.8 -73,-3.0 -75,-0.3 2,-0.4 -0.967 54.0-156.6-142.8 153.0 32.0 21.4 6.9 79 120BA V E -aB 5 86A 0 7,-2.0 7,-2.6 -2,-0.3 2,-0.2 -0.979 37.1-108.1-126.2 138.3 29.5 24.3 6.5 80 120CA A E + B 0 85A 19 -75,-3.2 2,-0.3 -2,-0.4 5,-0.3 -0.455 33.1 175.5 -69.9 134.5 27.3 24.8 3.4 81 120DA N E > - 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