==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE PROTEINASE) 07-MAR-85 2ALP . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR M.FUJINAGA,L.T.J.DELBAERE,G.D.BRAYER,M.N.G.JAMES . 198 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7876.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 67.2 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 . 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 . 10 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.6 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 52 0, 0.0 73,-2.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 156.6 22.7 11.6 6.5 2 15BA N E -a 74 0A 97 71,-0.2 2,-0.8 73,-0.0 73,-0.2 -0.869 360.0-137.7 -92.4 123.6 25.8 13.7 6.1 3 16 A I E +a 75 0A 0 71,-3.4 73,-1.7 -2,-0.6 2,-0.3 -0.797 34.4 163.1 -90.4 111.6 25.9 16.3 8.9 4 17 A V E > - 0 0 13 -2,-0.8 3,-1.6 71,-0.1 15,-0.3 -0.961 43.2-101.1-128.7 140.6 27.1 19.7 7.5 5 18 A G E 3 S+a 79 0A 0 73,-3.1 75,-3.2 -2,-0.3 15,-0.2 -0.331 104.0 27.0 -60.8 140.1 26.7 23.1 9.2 6 19 A G T 3 S+ 0 0 4 13,-3.2 -1,-0.2 1,-0.3 102,-0.2 0.208 87.1 128.8 96.6 -15.4 23.8 25.2 7.8 7 31 A I < - 0 0 44 -3,-1.6 12,-2.5 97,-0.1 -1,-0.3 -0.324 60.6-103.0 -80.2 158.8 21.5 22.4 6.6 8 32 A E E +C 18 0B 84 10,-0.2 2,-0.3 96,-0.1 39,-0.2 -0.453 38.8 170.3 -76.6 146.3 17.9 22.1 7.4 9 33 A Y E -C 17 0B 1 8,-2.2 8,-2.4 -2,-0.2 2,-0.3 -0.974 22.8-134.9-144.4 155.3 16.5 19.6 10.0 10 34 A S E -CD 16 45B 21 35,-2.2 35,-1.8 -2,-0.3 2,-0.5 -0.747 9.0-139.0-110.6 160.8 12.9 19.4 11.5 11 35 A I E >> S-CD 15 44B 8 4,-2.5 3,-2.2 -2,-0.3 4,-0.8 -0.990 80.8 -20.0-123.0 121.6 11.9 19.0 15.1 12 36 A N T 34 S- 0 0 83 31,-2.7 -1,-0.1 -2,-0.5 32,-0.1 0.801 118.5 -67.7 49.4 40.7 9.0 16.6 16.0 13 38 A N T 34 S+ 0 0 116 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.705 128.6 70.6 56.5 25.3 7.9 16.9 12.4 14 39 A A T <4 S+ 0 0 77 -3,-2.2 -2,-0.2 1,-0.4 -1,-0.1 0.472 80.2 46.1-129.8 -81.5 6.9 20.6 12.8 15 40 A S E < -C 11 0B 73 -4,-0.8 -4,-2.5 22,-0.1 -1,-0.4 -0.281 64.5-143.1 -72.3 158.4 9.5 23.4 13.2 16 41 A L E +C 10 0B 64 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.919 24.5 161.8-121.9 144.8 12.6 23.8 11.1 17 42 A a E -C 9 0B 5 -8,-2.4 -8,-2.2 -2,-0.4 2,-0.4 -0.837 34.0-106.6-143.8-174.4 16.0 24.9 12.2 18 43 A S E -C 8 0B 0 125,-2.7 16,-0.3 -2,-0.3 -10,-0.2 -0.917 31.8-106.1-122.7 146.4 19.6 24.7 10.8 19 44 A V - 0 0 0 -12,-2.5 -13,-3.2 -2,-0.4 127,-1.0 -0.448 26.5-164.5 -69.7 140.5 22.5 22.5 11.9 20 44AA G - 0 0 0 12,-2.0 2,-0.3 125,-0.3 126,-0.3 0.931 56.8 -30.9 -86.4 -81.3 25.2 24.4 13.8 21 45 A F E -E 32 0B 2 11,-0.9 11,-2.3 -16,-0.1 -1,-0.3 -0.996 55.0-109.1-146.3 146.7 28.3 22.1 13.9 22 46 A S E +E 31 0B 4 54,-0.5 174,-2.3 -2,-0.3 2,-0.3 -0.542 47.5 166.0 -70.6 138.2 29.3 18.4 14.0 23 47 A V E -EF 30 195B 0 7,-2.6 7,-2.2 172,-0.2 2,-0.3 -0.917 25.5-138.5-145.5 168.8 30.7 17.5 17.4 24 48 A T E -EF 29 194B 47 170,-2.4 170,-2.9 -2,-0.3 2,-0.3 -0.947 6.3-163.4-130.3 156.3 31.5 14.3 19.4 25 48AA R E > S-E 28 0B 117 3,-2.8 3,-2.3 -2,-0.3 2,-0.1 -0.858 72.3 -62.5-135.7 85.7 31.0 13.4 23.0 26 48BA G T 3 S- 0 0 72 -2,-0.3 -1,-0.2 1,-0.3 168,-0.1 -0.489 121.7 -14.2 68.1-131.9 33.2 10.4 23.5 27 48CA A T 3 S+ 0 0 107 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.571 118.4 103.7 -74.8 -12.0 31.8 7.7 21.1 28 49 A T E < -E 25 0B 58 -3,-2.3 -3,-2.8 1,-0.0 2,-0.3 -0.616 61.7-147.7 -80.6 130.6 28.6 9.7 20.7 29 50 A K E +EG 24 69B 64 40,-0.5 40,-2.9 -2,-0.3 2,-0.3 -0.649 32.7 144.2 -90.4 151.0 28.0 11.7 17.5 30 51 A G E -EG 23 68B 0 -7,-2.2 -7,-2.6 -2,-0.3 2,-0.3 -0.964 37.3-128.5-164.5-179.1 26.0 15.0 17.6 31 52 A F E -EG 22 67B 0 36,-1.7 36,-2.7 -2,-0.3 2,-0.3 -0.981 21.0-128.0-143.0 143.9 25.5 18.5 16.4 32 53 A V E +EG 21 66B 0 -11,-2.3 -12,-2.0 -2,-0.3 -11,-0.9 -0.673 39.9 148.9 -89.7 149.4 25.2 21.8 18.2 33 54 A T E - G 0 65B 0 32,-2.2 32,-1.7 -2,-0.3 2,-0.3 -0.813 49.1 -54.2-159.9-171.0 22.2 24.0 17.5 34 55 A A > - 0 0 0 -16,-0.3 3,-1.2 -2,-0.2 4,-0.3 -0.632 35.3-137.9 -87.8 141.9 19.9 26.6 19.1 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.2 -2,-0.3 24,-0.2 0.844 102.2 63.2 -63.1 -34.5 18.1 25.8 22.4 36 57 A H G 3 S+ 0 0 61 1,-0.3 -1,-0.3 22,-0.2 23,-0.1 0.706 88.2 76.4 -67.0 -13.4 14.9 27.4 21.2 37 58 A a G < S- 0 0 7 -3,-1.2 2,-0.3 1,-0.1 -1,-0.3 0.745 109.0 -17.0 -69.5 -30.4 14.7 24.8 18.4 38 59 A G < - 0 0 8 -3,-1.2 2,-0.2 -4,-0.3 -1,-0.1 -0.987 61.8-109.2-164.1 169.5 13.5 21.9 20.4 39 59AA T > - 0 0 75 -2,-0.3 3,-2.5 1,-0.2 15,-0.4 -0.644 58.5 -69.1-102.9 168.1 13.0 20.4 23.9 40 59BA V T 3 S+ 0 0 63 1,-0.3 15,-0.2 -2,-0.2 -1,-0.2 -0.247 123.9 17.6 -57.5 139.3 15.0 17.6 25.4 41 60 A N T 3 S+ 0 0 124 13,-3.0 -1,-0.3 1,-0.3 14,-0.1 0.313 87.3 145.7 77.4 -1.0 14.0 14.3 23.7 42 61 A A < - 0 0 3 -3,-2.5 12,-2.5 1,-0.1 2,-0.5 -0.359 52.7-115.4 -63.7 144.2 12.5 16.1 20.7 43 62 A T E - H 0 53B 36 10,-0.2 -31,-2.7 -3,-0.1 -30,-0.4 -0.788 24.0-154.4 -89.8 129.3 13.1 14.1 17.5 44 64 A A E -DH 11 52B 0 8,-2.5 7,-2.7 -2,-0.5 8,-1.3 -0.827 10.7-170.6-104.9 133.5 15.3 15.6 14.7 45 65 A R E -DH 10 50B 51 -35,-1.8 -35,-2.2 -2,-0.4 2,-0.4 -0.947 9.3-163.9-123.0 145.7 14.8 14.5 11.1 46 66 A I E > S- H 0 49B 22 3,-2.5 3,-1.7 -2,-0.4 -37,-0.1 -0.995 82.0 -10.0-128.0 124.0 17.0 15.3 8.1 47 67 A G T 3 S- 0 0 87 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.815 132.0 -53.6 54.2 39.4 15.5 14.7 4.7 48 81 A G T 3 S+ 0 0 67 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.144 115.9 109.9 85.4 -14.9 12.6 12.9 6.2 49 82 A A E < S-H 46 0B 53 -3,-1.7 -3,-2.5 1,-0.0 2,-0.3 -0.718 74.4-112.7 -97.0 139.5 14.7 10.4 8.2 50 83 A V E +H 45 0B 73 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.570 38.2 168.8 -68.5 128.8 15.2 10.3 12.0 51 84 A V E - 0 0 1 -7,-2.7 19,-2.4 1,-0.4 2,-0.3 0.593 55.9 -52.6-116.7 -22.0 18.8 11.2 12.7 52 85 A G E -HI 44 69B 5 -8,-1.3 -8,-2.5 17,-0.3 -1,-0.4 -0.976 51.8 -94.1 172.1-165.8 18.7 11.7 16.5 53 87 A T E -HI 43 68B 53 15,-2.1 15,-2.5 -2,-0.3 2,-0.3 -0.972 42.8 -89.0-141.9 154.9 17.1 13.5 19.5 54 88 A F E - I 0 67B 0 -12,-2.5 -13,-3.0 -15,-0.4 13,-0.3 -0.548 37.8-174.1 -66.2 124.8 17.7 16.6 21.5 55 88AA A E - 0 0 36 11,-2.9 2,-0.3 1,-0.4 12,-0.2 0.763 63.1 -14.9 -90.1 -38.2 20.1 15.6 24.4 56 89 A A E + I 0 66B 20 10,-1.3 10,-1.9 -17,-0.1 -1,-0.4 -0.963 62.1 179.0-159.6 155.4 20.2 18.8 26.3 57 90 A R E - I 0 65B 76 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.979 17.9-153.8-158.2 161.8 19.2 22.5 25.9 58 91 A V E + I 0 64B 37 6,-2.6 6,-2.5 -2,-0.3 -23,-0.3 -0.965 26.4 179.0-138.4 118.5 19.2 25.8 27.7 59 94 A F + 0 0 26 -2,-0.4 2,-0.2 4,-0.2 4,-0.1 -0.798 54.5 16.9-169.6 133.7 16.6 28.4 26.6 60 95 A P S S+ 0 0 49 0, 0.0 2,-1.6 0, 0.0 68,-0.2 0.552 121.1 43.7 -81.0-155.3 15.9 31.1 27.5 61 100 A G B S+j 128 0C 32 66,-2.4 68,-2.5 -2,-0.2 2,-0.2 -0.605 136.0 10.1 93.0 -70.7 18.8 32.6 29.6 62 101 A N S S- 0 0 51 -2,-1.6 2,-0.1 66,-0.2 68,-0.1 -0.540 78.8-133.9-116.9-173.9 21.2 31.1 27.0 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.1 -4,-0.2 -0.604 54.7 120.9-147.1 77.9 20.1 29.7 23.6 64 103 A R E + I 0 58B 18 -6,-2.5 -6,-2.6 -30,-0.3 2,-0.3 -0.984 23.2 156.7-144.8 156.6 22.0 26.4 23.1 65 104 A A E -GI 33 57B 0 -32,-1.7 -32,-2.2 -2,-0.3 2,-0.4 -0.975 22.4-144.5-165.4 164.9 21.4 22.7 22.6 66 105 A W E -GI 32 56B 10 -10,-1.9 -11,-2.9 -2,-0.3 -10,-1.3 -0.991 11.6-147.3-138.5 145.7 23.0 19.5 21.2 67 106 A V E -GI 31 54B 0 -36,-2.7 -36,-1.7 -2,-0.4 2,-0.5 -0.962 14.3-139.4-110.7 126.7 21.3 16.7 19.4 68 107 A S E -GI 30 53B 30 -15,-2.5 -15,-2.1 -2,-0.5 -38,-0.3 -0.786 25.7-150.4 -89.9 129.9 22.8 13.2 19.9 69 108 A L E -GI 29 52B 16 -40,-2.9 -40,-0.5 -2,-0.5 -17,-0.3 -0.614 14.8-103.5 -98.9 162.0 22.8 11.3 16.6 70 109 A T > - 0 0 63 -19,-2.4 3,-1.6 -2,-0.2 -1,-0.1 -0.325 39.3-106.0 -75.5 162.0 22.5 7.6 15.7 71 110 A S T 3 S+ 0 0 105 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.672 113.9 71.4 -60.6 -23.4 25.6 5.8 14.7 72 111 A A T 3 S+ 0 0 77 -21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.635 77.0 101.8 -71.8 -17.2 24.5 5.8 11.1 73 112 A Q < - 0 0 12 -3,-1.6 2,-0.7 -22,-0.2 -71,-0.2 -0.321 66.7-138.0 -76.3 145.0 25.2 9.6 10.7 74 113 A T E -a 2 0A 64 -73,-2.7 -71,-3.4 -2,-0.1 2,-0.4 -0.927 15.2-151.5-106.9 115.4 28.3 10.9 9.0 75 114 A L E -a 3 0A 31 -2,-0.7 -71,-0.1 -73,-0.2 -44,-0.1 -0.709 15.2-171.7 -87.3 137.2 29.9 13.9 10.8 76 119 A L E - 0 0 33 -73,-1.7 2,-1.7 -2,-0.4 -54,-0.5 -0.964 31.3-130.7-130.3 145.8 31.8 16.3 8.7 77 120 A P E S+ 0 0 18 0, 0.0 11,-3.1 0, 0.0 2,-0.3 -0.370 75.2 104.5 -82.8 51.3 34.0 19.3 9.5 78 120AA R E - B 0 87A 91 -2,-1.7 -73,-3.1 -75,-0.3 2,-0.4 -0.957 55.4-152.8-140.9 157.4 32.1 21.5 7.1 79 120BA V E -aB 5 86A 0 7,-2.3 7,-2.7 -2,-0.3 2,-0.2 -0.982 35.6-109.1-125.0 137.5 29.6 24.3 6.7 80 120CA A E + B 0 85A 18 -75,-3.2 2,-0.3 -2,-0.4 5,-0.2 -0.443 32.7 175.6 -67.1 135.2 27.5 24.7 3.6 81 120DA N E > - 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