==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 25-MAR-99 2SGE . COMPND 2 MOLECULE: STREPTOGRISIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR K.HUANG,W.LU,S.ANDERSON,M.LASKOWSKI JR.,M.N.G.JAMES . 236 2 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9719.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 36.9 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 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 . 17 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 0 0 1 0 0 1 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 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 0 PARALLEL BRIDGES PER LADDER . 2 5 4 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 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 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 16 E I 0 0 24 0, 0.0 76,-0.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 140.2 -8.5 23.8 21.5 2 17 E S > - 0 0 8 74,-0.1 3,-2.4 76,-0.1 14,-0.3 -0.833 360.0 -43.3-143.6-179.7 -7.9 26.7 23.7 3 18 E G B 3 S+a 80 0A 0 76,-2.6 78,-0.8 74,-0.3 14,-0.2 -0.196 122.2 18.3 -53.1 129.4 -5.5 28.5 26.0 4 19 E G T 3 S+ 0 0 1 12,-3.5 -1,-0.3 1,-0.3 101,-0.2 0.249 91.5 131.0 94.8 -13.4 -3.7 26.1 28.3 5 29 E D < - 0 0 46 -3,-2.4 11,-2.4 11,-0.1 -1,-0.3 -0.264 64.8 -93.8 -71.3 154.5 -4.5 22.9 26.3 6 30 E A E -C 15 0B 25 9,-0.2 2,-0.4 96,-0.2 9,-0.2 -0.431 36.8-167.6 -71.4 144.6 -1.6 20.5 25.5 7 31 E I E -C 14 0B 0 7,-2.5 7,-2.9 -2,-0.2 2,-0.6 -0.974 8.9-147.3-128.4 138.6 0.3 20.7 22.2 8 32 E Y E +CD 13 42B 40 34,-2.7 34,-2.7 -2,-0.4 5,-0.2 -0.903 15.9 177.4-111.4 125.9 2.6 18.0 21.0 9 33 E S - 0 0 2 3,-2.8 32,-0.1 -2,-0.6 29,-0.1 -0.216 51.7 -91.7-105.9-157.7 5.7 18.6 19.0 10 34 E S S S+ 0 0 85 30,-0.2 3,-0.1 1,-0.1 31,-0.1 0.589 124.6 42.0 -92.2 -7.1 8.1 15.7 17.9 11 39 E T S S- 0 0 69 1,-0.2 2,-0.3 23,-0.1 -1,-0.1 0.765 123.4 -44.9-103.7 -39.0 10.1 16.2 21.0 12 40 E G - 0 0 11 22,-0.1 -3,-2.8 190,-0.1 2,-0.4 -0.877 64.0 -66.0-169.4-161.5 7.6 16.7 23.8 13 41 E R E +CE 8 201B 33 188,-1.7 188,-2.0 -2,-0.3 -5,-0.2 -0.906 40.9 163.9-116.8 140.4 4.5 18.5 25.1 14 42 E a E -C 7 0B 5 -7,-2.9 -7,-2.5 -2,-0.4 2,-0.4 -0.611 35.3-100.0-132.6-172.3 3.9 22.2 25.7 15 43 E S E -C 6 0B 0 126,-2.9 16,-0.4 -9,-0.2 2,-0.4 -0.934 28.0-111.2-122.4 144.7 0.8 24.2 26.2 16 44 E L - 0 0 0 -11,-2.4 -12,-3.5 -2,-0.4 14,-0.2 -0.615 27.9-165.8 -70.4 125.2 -1.1 26.4 23.9 17 45 E G - 0 0 0 12,-2.5 2,-0.3 -2,-0.4 13,-0.2 0.937 58.5 -27.2 -74.6 -88.2 -0.8 30.1 24.9 18 46 E F - 0 0 5 11,-0.5 11,-2.9 -15,-0.1 2,-0.4 -0.992 53.1-122.3-135.1 146.7 -3.4 32.1 23.0 19 47 E N E +F 28 0B 6 -2,-0.3 166,-0.6 58,-0.3 2,-0.3 -0.673 43.5 175.3 -79.4 126.3 -5.2 31.6 19.6 20 48 E V E -FG 27 184B 0 7,-2.2 7,-2.7 -2,-0.4 2,-0.3 -0.879 12.6-155.5-131.2 171.9 -4.5 34.8 17.6 21 48AE R E -FG 26 183B 86 162,-2.9 162,-1.8 -2,-0.3 2,-0.4 -0.996 17.0-164.5-154.1 154.6 -5.3 35.9 14.1 22 48BE S E > S-F 25 0B 50 3,-2.7 3,-2.2 -2,-0.3 2,-0.4 -0.952 76.0 -43.5-138.0 110.0 -4.2 38.2 11.3 23 48CE G T 3 S- 0 0 72 -2,-0.4 159,-0.0 1,-0.3 0, 0.0 -0.491 124.5 -26.1 69.1-121.0 -6.8 38.7 8.6 24 48DE S T 3 S+ 0 0 112 -2,-0.4 2,-0.6 -3,-0.1 -1,-0.3 0.204 116.1 106.2-106.0 6.7 -8.3 35.3 7.9 25 49 E T E < -F 22 0B 51 -3,-2.2 -3,-2.7 43,-0.0 2,-0.3 -0.887 57.3-151.9-100.3 124.6 -5.2 33.5 9.1 26 50 E Y E +F 21 0B 79 -2,-0.6 43,-2.7 -5,-0.2 2,-0.3 -0.694 22.0 160.0 -96.1 139.4 -5.2 31.7 12.4 27 51 E Y E -FH 20 68B 49 -7,-2.7 -7,-2.2 -2,-0.3 2,-0.3 -0.821 24.7-140.0-138.0-179.3 -2.2 31.1 14.6 28 52 E F E -FH 19 67B 0 39,-1.5 39,-2.1 -2,-0.3 2,-0.3 -0.982 13.8-134.2-148.0 144.6 -1.4 30.3 18.1 29 53 E L E + H 0 66B 0 -11,-2.9 -12,-2.5 -2,-0.3 -11,-0.5 -0.676 31.2 154.8 -93.3 151.5 1.3 31.5 20.3 30 54 E T E - H 0 65B 0 35,-2.3 35,-1.9 -2,-0.3 2,-0.2 -0.836 50.3 -54.8-152.5-170.9 3.4 29.4 22.5 31 55 E A >> - 0 0 0 -16,-0.4 4,-1.6 -2,-0.3 3,-0.9 -0.538 38.4-134.1 -75.1 146.8 6.7 29.5 24.1 32 56 E G H 3> S+ 0 0 0 26,-0.3 4,-2.3 1,-0.3 3,-0.2 0.901 106.1 59.7 -63.0 -48.1 9.8 30.0 21.9 33 57 E H H 34 S+ 0 0 24 1,-0.3 -1,-0.3 2,-0.2 26,-0.1 0.720 109.2 46.5 -53.3 -22.7 11.7 27.3 23.6 34 58 E a H <4 S+ 0 0 8 -3,-0.9 -1,-0.3 1,-0.1 -2,-0.2 0.774 112.6 45.2 -88.5 -40.9 9.0 25.0 22.4 35 59 E T H >< S+ 0 0 2 -4,-1.6 3,-2.0 -3,-0.2 2,-0.4 0.681 89.3 107.4 -74.6 -17.7 8.7 26.2 18.8 36 60 E D T 3< S- 0 0 99 -4,-2.3 3,-0.1 1,-0.3 29,-0.0 -0.419 99.0 -3.5 -66.4 115.6 12.6 26.1 18.6 37 62 E G T 3 S+ 0 0 70 -2,-0.4 2,-0.4 1,-0.3 -1,-0.3 0.621 108.9 118.3 78.3 9.4 13.5 23.1 16.4 38 63 E A < + 0 0 7 -3,-2.0 -1,-0.3 1,-0.2 16,-0.2 -0.882 31.4 170.5-108.9 142.6 9.8 22.0 16.0 39 64 E T + 0 0 94 -2,-0.4 15,-2.6 1,-0.4 2,-0.3 0.818 61.8 35.2-109.6 -66.1 8.1 21.8 12.8 40 65 E T E - I 0 53B 40 13,-0.2 -1,-0.4 27,-0.0 2,-0.4 -0.734 63.9-157.5 -96.9 144.7 4.7 20.1 13.1 41 66 E W E - I 0 52B 0 11,-2.1 10,-3.2 -2,-0.3 11,-1.1 -0.992 7.5-166.0-120.0 132.5 2.4 20.4 16.1 42 67 E W E -DI 8 50B 51 -34,-2.7 -34,-2.7 -2,-0.4 8,-0.2 -0.894 25.5-133.6-117.8 159.3 -0.3 17.9 17.0 43 68 E A S S+ 0 0 28 6,-2.8 2,-0.3 -2,-0.3 7,-0.1 0.570 85.7 39.9 -83.0 -6.2 -3.3 18.0 19.3 44 78 E N S > S- 0 0 50 5,-0.5 3,-2.6 -36,-0.1 5,-0.1 -0.976 79.6-114.1-143.8 158.6 -2.6 14.6 20.9 45 79 E S T 3 S+ 0 0 77 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.844 116.1 59.3 -57.2 -30.6 0.1 12.2 22.1 46 80 E A T 3 S- 0 0 68 1,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.589 103.6-136.6 -75.6 -7.7 -0.7 9.8 19.4 47 81 E R < + 0 0 88 -3,-2.6 -2,-0.1 2,-0.1 3,-0.1 0.917 67.2 123.5 57.0 45.0 0.1 12.5 17.0 48 82 E T + 0 0 103 1,-0.2 2,-0.6 -4,-0.0 -1,-0.1 0.649 56.0 65.9-106.2 -19.0 -2.9 11.8 14.9 49 83 E T S S- 0 0 53 -5,-0.1 -6,-2.8 22,-0.0 -5,-0.5 -0.923 76.6-145.2-106.5 115.0 -4.6 15.2 15.0 50 84 E V E +I 42 0B 57 -2,-0.6 -8,-0.3 -8,-0.2 3,-0.1 -0.608 21.8 175.9 -81.7 139.1 -2.7 17.9 13.2 51 85 E L E - 0 0 0 -10,-3.2 19,-2.1 1,-0.3 20,-1.8 0.845 52.2 -84.4 -99.4 -59.9 -2.7 21.5 14.5 52 86 E G E -IJ 41 69B 0 -11,-1.1 -11,-2.1 17,-0.3 2,-0.4 -0.931 41.8 -77.6 178.8-158.1 -0.2 23.3 12.2 53 87 E T E -IJ 40 68B 41 15,-1.3 15,-2.7 -2,-0.2 -13,-0.2 -0.972 50.0 -86.0-134.3 152.9 3.4 24.1 11.6 54 88 E T E + J 0 67B 34 -15,-2.6 13,-0.3 -2,-0.4 3,-0.1 -0.354 37.6 175.6 -58.9 129.4 5.8 26.5 13.2 55 89 E S E - 0 0 51 11,-2.0 2,-0.3 1,-0.4 12,-0.2 0.640 69.1 -0.5-107.0 -17.5 5.7 30.1 11.6 56 90 E G E - J 0 66B 16 10,-1.9 10,-2.0 2,-0.0 -1,-0.4 -0.976 54.6-170.4-167.9 155.2 8.1 31.7 13.9 57 91 E S E - J 0 65B 50 -2,-0.3 2,-0.5 8,-0.2 8,-0.2 -0.916 0.6-174.9-153.8 122.2 10.3 31.1 16.9 58 93 E S E + J 0 64B 29 6,-2.9 6,-1.4 -2,-0.3 -26,-0.3 -0.869 24.1 165.8-121.9 99.7 12.2 33.6 19.1 59 94 E F + 0 0 29 -2,-0.5 2,-0.2 -27,-0.2 4,-0.1 -0.899 46.0 23.2-164.5 139.8 14.4 32.0 21.8 60 99AE P S S+ 0 0 38 0, 0.0 2,-1.9 0, 0.0 66,-0.2 0.378 123.7 33.5 -67.5-161.6 16.7 32.7 23.8 61 100 E N B S+k 126 0C 87 64,-2.6 66,-2.4 -2,-0.2 2,-0.2 -0.432 132.4 24.1 80.9 -63.3 16.5 36.5 24.3 62 101 E N S S- 0 0 41 -2,-1.9 66,-0.1 64,-0.2 67,-0.0 -0.444 77.8-140.4-111.2-169.6 12.8 36.5 24.0 63 102 E D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.1 108,-0.2 -0.279 56.0 102.4-157.7 61.5 10.5 33.5 24.7 64 103 E Y E + J 0 58B 17 -6,-1.4 -6,-2.9 -33,-0.3 2,-0.3 -0.978 34.0 176.1-142.4 154.5 7.7 33.3 22.1 65 104 E G E -HJ 30 57B 0 -35,-1.9 -35,-2.3 -2,-0.3 2,-0.3 -0.943 15.9-143.8-153.6 161.0 6.8 31.4 19.0 66 105 E I E -HJ 29 56B 3 -10,-2.0 -11,-2.0 -2,-0.3 -10,-1.9 -0.966 5.8-157.6-135.8 147.1 3.9 31.2 16.7 67 106 E V E -HJ 28 54B 0 -39,-2.1 -39,-1.5 -2,-0.3 2,-0.4 -0.980 14.9-134.5-131.1 130.6 2.3 28.3 14.8 68 107 E R E -HJ 27 53B 93 -15,-2.7 -15,-1.3 -2,-0.4 2,-0.3 -0.686 25.6-120.7 -86.8 135.9 0.1 28.5 11.8 69 108 E Y E + J 0 52B 21 -43,-2.7 -17,-0.3 -2,-0.4 -43,-0.2 -0.659 35.5 168.6 -79.5 133.1 -3.0 26.5 11.9 70 109 E T + 0 0 67 -19,-2.1 2,-0.5 -2,-0.3 -18,-0.2 0.391 54.9 95.0-114.4 -12.6 -3.2 23.9 9.0 71 110 E N - 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