==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 25-MAR-99 1SGD . 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) . 9759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 66.9 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 . 88 37.3 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 . 19 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 7.6 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 0 1 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 2 2 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 26 0, 0.0 76,-1.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 149.6 -8.7 23.8 21.4 2 17 E S > - 0 0 8 74,-0.1 3,-2.1 76,-0.1 14,-0.3 -0.886 360.0 -42.1-148.0-177.6 -7.9 26.8 23.6 3 18 E G B 3 S+a 80 0A 0 76,-2.5 78,-0.7 74,-0.3 14,-0.2 -0.156 120.4 21.9 -53.2 125.5 -5.4 28.5 25.9 4 19 E G T 3 S+ 0 0 1 12,-3.2 -1,-0.3 1,-0.3 101,-0.2 0.240 89.8 129.3 102.2 -19.1 -3.8 26.1 28.3 5 29 E D < - 0 0 46 -3,-2.1 11,-2.6 1,-0.1 -1,-0.3 -0.271 65.2 -94.8 -71.9 154.7 -4.4 22.9 26.3 6 30 E A E -C 15 0B 24 9,-0.2 2,-0.4 96,-0.1 9,-0.3 -0.381 37.6-170.6 -68.8 146.6 -1.6 20.5 25.6 7 31 E I E -C 14 0B 0 7,-2.0 7,-2.9 -2,-0.1 2,-0.4 -0.995 7.1-152.4-131.3 146.5 0.3 20.6 22.4 8 32 E Y E -CD 13 42B 40 34,-2.9 34,-2.9 -2,-0.4 5,-0.2 -0.930 12.0-179.4-125.1 138.5 2.8 18.1 21.1 9 33 E S - 0 0 1 3,-2.7 32,-0.1 -2,-0.4 29,-0.1 -0.462 52.4 -86.2-117.1-169.2 5.7 18.4 18.9 10 34 E S S S+ 0 0 82 30,-0.5 31,-0.1 1,-0.2 3,-0.1 0.806 127.9 39.4 -72.9 -18.3 8.1 15.8 17.7 11 39 E T S S- 0 0 65 1,-0.2 2,-0.3 23,-0.2 -1,-0.2 0.750 122.1 -48.7 -98.8 -32.0 10.1 16.3 20.9 12 40 E G - 0 0 12 22,-0.1 -3,-2.7 190,-0.1 2,-0.4 -0.932 62.0 -61.7-175.6-160.1 7.7 16.8 23.8 13 41 E R E +CE 8 201B 36 188,-1.7 188,-2.4 -2,-0.3 -5,-0.2 -0.922 42.2 158.9-118.9 139.2 4.6 18.5 25.2 14 42 E a E -C 7 0B 5 -7,-2.9 -7,-2.0 -2,-0.4 2,-0.3 -0.561 38.7 -97.9-133.3-166.5 4.1 22.2 25.8 15 43 E S E -C 6 0B 0 126,-2.4 16,-0.4 -9,-0.3 2,-0.3 -0.957 27.9-113.0-123.0 150.7 0.9 24.2 26.2 16 44 E L - 0 0 0 -11,-2.6 -12,-3.2 -2,-0.3 14,-0.2 -0.604 29.2-165.4 -77.8 131.6 -1.0 26.4 23.8 17 45 E G - 0 0 0 12,-2.6 2,-0.3 -2,-0.3 13,-0.2 0.950 56.5 -23.2 -84.1 -74.7 -0.7 30.0 24.9 18 46 E F E -F 29 0B 4 11,-0.8 11,-2.5 -15,-0.1 2,-0.4 -0.999 54.8-122.8-137.3 142.9 -3.3 32.0 23.0 19 47 E N E +F 28 0B 4 58,-0.3 166,-0.5 -2,-0.3 2,-0.3 -0.678 43.3 173.8 -79.9 127.7 -5.2 31.6 19.6 20 48 E V E -FG 27 184B 0 7,-2.4 7,-2.8 -2,-0.4 2,-0.3 -0.895 13.1-161.3-131.5 163.7 -4.4 34.7 17.5 21 48AE R E -FG 26 183B 99 162,-2.4 162,-2.1 -2,-0.3 2,-0.4 -0.981 16.6-158.1-148.3 160.9 -5.1 35.8 14.0 22 48BE S E > S-F 25 0B 54 3,-2.5 3,-2.9 -2,-0.3 160,-0.1 -0.975 75.7 -45.1-138.5 115.2 -4.0 38.1 11.3 23 48CE G T 3 S- 0 0 69 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.346 125.6 -23.6 60.0-127.2 -6.6 38.8 8.7 24 48DE S T 3 S+ 0 0 112 -3,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.289 116.2 104.0 -93.0 5.0 -8.0 35.4 7.9 25 49 E T E < -F 22 0B 52 -3,-2.9 -3,-2.5 43,-0.0 2,-0.4 -0.847 56.7-154.9 -99.7 122.0 -4.9 33.5 9.0 26 50 E Y E +F 21 0B 76 -2,-0.6 43,-2.4 -5,-0.2 2,-0.3 -0.735 21.4 157.9 -96.4 138.9 -5.1 31.7 12.3 27 51 E Y E -FH 20 68B 30 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.4 -0.877 28.4-131.9-138.2-180.0 -2.1 30.9 14.5 28 52 E F E -FH 19 67B 0 39,-2.1 39,-2.4 -2,-0.3 2,-0.4 -0.989 15.0-136.4-140.0 146.5 -1.3 30.1 18.1 29 53 E L E +FH 18 66B 0 -11,-2.5 -12,-2.6 -2,-0.4 -11,-0.8 -0.781 33.3 152.0 -93.7 151.1 1.3 31.5 20.3 30 54 E T E - H 0 65B 0 35,-2.4 35,-2.0 -2,-0.4 112,-0.2 -0.860 51.6 -51.3-155.9-169.6 3.4 29.4 22.5 31 55 E A > - 0 0 0 -16,-0.4 4,-1.6 -2,-0.2 3,-0.4 -0.386 38.4-137.3 -72.4 146.8 6.9 29.4 24.1 32 56 E G H > S+ 0 0 0 26,-0.3 4,-1.8 1,-0.2 27,-0.2 0.841 105.6 61.5 -69.4 -32.5 9.9 30.0 21.7 33 57 E H H 4 S+ 0 0 26 1,-0.2 -1,-0.2 2,-0.2 26,-0.1 0.794 107.0 44.5 -66.0 -20.7 11.7 27.2 23.6 34 58 E a H 4 S+ 0 0 6 -3,-0.4 -1,-0.2 1,-0.1 -2,-0.2 0.824 113.9 48.7 -90.3 -32.1 9.0 24.9 22.6 35 59 E T H >< S+ 0 0 2 -4,-1.6 3,-2.2 2,-0.1 2,-0.3 0.710 84.7 110.9 -77.9 -18.4 8.9 26.2 18.9 36 60 E D T 3< S- 0 0 102 -4,-1.8 3,-0.1 1,-0.3 29,-0.0 -0.321 97.4 -8.3 -62.4 116.3 12.7 25.9 18.6 37 62 E G T 3 S+ 0 0 70 -2,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.792 107.1 119.3 68.8 20.1 13.6 23.1 16.2 38 63 E A < + 0 0 7 -3,-2.2 -1,-0.3 1,-0.2 3,-0.1 -0.932 32.8 173.5-113.0 146.9 10.0 21.9 16.0 39 64 E T + 0 0 99 -2,-0.4 15,-3.0 1,-0.4 2,-0.3 0.785 61.2 34.1-115.3 -58.6 8.2 21.9 12.8 40 65 E T E - I 0 53B 38 13,-0.2 -30,-0.5 27,-0.0 -1,-0.4 -0.778 63.5-158.9-103.9 146.5 4.8 20.2 13.1 41 66 E W E - I 0 52B 0 11,-2.4 10,-3.2 -2,-0.3 11,-1.2 -0.976 4.6-164.2-120.9 140.5 2.5 20.3 16.1 42 67 E W E -DI 8 50B 54 -34,-2.9 -34,-2.9 -2,-0.4 8,-0.2 -0.886 24.7-134.5-122.2 161.7 -0.3 17.9 17.1 43 68 E A S S+ 0 0 31 6,-2.5 2,-0.3 -2,-0.3 7,-0.1 0.447 87.1 42.3 -85.8 -13.7 -3.2 18.0 19.6 44 78 E N S > S- 0 0 43 5,-0.5 3,-1.8 -36,-0.1 -36,-0.1 -0.966 80.7-115.8-139.1 160.1 -2.7 14.5 21.0 45 79 E S T 3 S+ 0 0 79 -2,-0.3 -1,-0.1 1,-0.3 -38,-0.0 0.792 115.4 60.3 -63.6 -26.5 0.2 12.1 22.2 46 80 E A T 3 S- 0 0 63 1,-0.0 -1,-0.3 -3,-0.0 -3,-0.0 0.615 105.0-133.8 -74.9 -11.4 -0.7 9.8 19.4 47 81 E R < + 0 0 86 -3,-1.8 -2,-0.1 2,-0.1 3,-0.1 0.917 66.7 126.7 59.5 44.6 0.0 12.5 17.0 48 82 E T + 0 0 98 1,-0.2 2,-0.6 2,-0.0 -1,-0.1 0.792 55.6 60.6-101.0 -28.6 -3.0 11.8 15.1 49 83 E T S S- 0 0 54 -5,-0.1 -6,-2.5 22,-0.0 -5,-0.5 -0.901 75.6-148.3-103.2 116.5 -4.6 15.3 15.0 50 84 E V E +I 42 0B 53 -2,-0.6 -8,-0.3 -8,-0.2 3,-0.1 -0.553 19.3 178.3 -81.3 141.9 -2.5 17.9 13.3 51 85 E L E - 0 0 0 -10,-3.2 19,-2.4 1,-0.4 20,-2.0 0.776 50.6 -85.6-105.0 -55.2 -2.7 21.4 14.4 52 86 E G E -IJ 41 69B 0 -11,-1.2 -11,-2.4 17,-0.3 -1,-0.4 -0.954 41.4 -70.2 174.7-162.4 -0.2 23.1 12.2 53 87 E T E -IJ 40 68B 52 15,-1.5 15,-2.7 -2,-0.3 -13,-0.2 -0.954 47.6 -91.5-129.0 146.7 3.5 24.1 11.6 54 88 E T E + J 0 67B 38 -15,-3.0 13,-0.3 -2,-0.3 3,-0.1 -0.327 36.9 172.9 -55.9 132.5 5.9 26.5 13.2 55 89 E S E + 0 0 46 11,-2.4 2,-0.3 1,-0.4 12,-0.2 0.531 67.7 5.8-113.3 -20.1 6.0 30.0 11.5 56 90 E G E - J 0 66B 15 10,-1.6 10,-2.2 2,-0.0 -1,-0.4 -0.962 55.0-172.1-165.1 151.9 8.3 31.8 13.9 57 91 E S E - J 0 65B 52 -2,-0.3 2,-0.4 8,-0.3 8,-0.2 -0.964 3.1-178.4-153.2 126.4 10.4 31.1 16.9 58 93 E S E + J 0 64B 27 6,-3.0 6,-2.1 -2,-0.3 -26,-0.3 -0.865 24.3 158.6-129.9 98.3 12.3 33.6 19.2 59 94 E F + 0 0 31 -2,-0.4 2,-0.2 -27,-0.2 4,-0.1 -0.855 46.4 29.8-165.9 134.1 14.3 31.9 21.9 60 99AE P S S+ 0 0 35 0, 0.0 2,-2.1 0, 0.0 66,-0.2 0.475 123.6 30.2 -75.3-159.2 16.7 32.6 23.8 61 100 E N B S+k 126 0C 89 64,-2.9 66,-3.2 -2,-0.2 2,-0.2 -0.463 135.7 24.6 79.9 -59.9 16.7 36.4 24.4 62 101 E N S S- 0 0 41 -2,-2.1 66,-0.1 64,-0.2 2,-0.1 -0.566 78.4-140.9-113.4-178.5 12.9 36.4 24.0 63 102 E D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.1 108,-0.2 -0.543 55.5 103.9-148.6 75.4 10.7 33.4 24.6 64 103 E Y E + J 0 58B 21 -6,-2.1 -6,-3.0 -33,-0.3 2,-0.3 -0.988 32.3 173.7-149.0 154.9 7.9 33.2 22.1 65 104 E G E -HJ 30 57B 0 -35,-2.0 -35,-2.4 -2,-0.3 2,-0.4 -0.957 16.8-145.0-155.3 161.7 7.0 31.3 19.0 66 105 E I E -HJ 29 56B 3 -10,-2.2 -11,-2.4 -2,-0.3 -10,-1.6 -0.981 5.8-157.1-137.0 142.6 3.9 31.1 16.7 67 106 E V E -HJ 28 54B 0 -39,-2.4 -39,-2.1 -2,-0.4 2,-0.5 -0.989 15.3-135.0-121.2 133.8 2.4 28.2 14.8 68 107 E R E -HJ 27 53B 111 -15,-2.7 -15,-1.5 -2,-0.4 -41,-0.2 -0.707 25.8-120.9 -90.4 129.3 0.3 28.5 11.8 69 108 E Y E + J 0 52B 22 -43,-2.4 -17,-0.3 -2,-0.5 -43,-0.2 -0.530 35.6 168.7 -72.4 134.8 -2.8 26.3 11.9 70 109 E T + 0 0 75 -19,-2.4 2,-0.7 -2,-0.2 -18,-0.2 0.283 53.5 100.1-117.6 -8.0 -3.1 23.8 9.0 71 110 E N - 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