==== 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 1SGN . 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) . 9687.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 64.0 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 . 14 5.9 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 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,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 147.4 -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 -0.847 360.0 -54.0-140.8 178.9 -7.9 26.7 23.7 3 18 E G B 3 S+a 80 0A 0 76,-2.7 78,-0.7 -2,-0.3 14,-0.2 -0.306 120.3 25.5 -58.3 132.5 -5.3 28.5 25.8 4 19 E G T 3 S+ 0 0 1 12,-3.0 -1,-0.2 1,-0.3 101,-0.2 0.206 90.9 129.4 100.9 -22.7 -3.8 26.1 28.3 5 29 E D < - 0 0 43 -3,-2.1 11,-2.7 1,-0.1 -1,-0.3 -0.315 66.1 -93.5 -70.2 154.7 -4.4 22.9 26.3 6 30 E A E -C 15 0B 25 9,-0.2 2,-0.3 96,-0.2 9,-0.2 -0.378 38.6-172.5 -68.2 143.4 -1.7 20.4 25.5 7 31 E I E -C 14 0B 0 7,-2.2 7,-3.0 -2,-0.1 2,-0.5 -0.995 8.3-152.7-131.6 138.8 0.3 20.6 22.3 8 32 E Y E -CD 13 42B 40 34,-2.4 34,-2.7 -2,-0.3 5,-0.2 -0.927 12.3-179.5-121.2 134.2 2.8 18.0 21.1 9 33 E S - 0 0 2 3,-2.5 32,-0.1 -2,-0.5 29,-0.1 -0.464 51.9 -84.5-111.5-168.6 5.8 18.4 18.9 10 34 E S S S+ 0 0 93 30,-0.4 3,-0.1 1,-0.2 28,-0.1 0.805 127.2 37.2 -71.4 -24.5 8.2 15.9 17.8 11 39 E T S S- 0 0 66 23,-0.2 2,-0.2 1,-0.1 -1,-0.2 0.798 122.4 -43.9 -98.0 -35.9 10.2 16.2 20.9 12 40 E G - 0 0 13 22,-0.1 -3,-2.5 190,-0.1 2,-0.4 -0.846 63.8 -62.8-168.3-153.8 7.7 16.8 23.8 13 41 E R E +CE 8 201B 36 188,-1.9 188,-2.3 -2,-0.2 -5,-0.2 -0.947 40.8 162.0-124.1 138.8 4.6 18.5 25.2 14 42 E a E -C 7 0B 5 -7,-3.0 -7,-2.2 -2,-0.4 2,-0.4 -0.556 36.9-100.0-131.5-170.8 3.9 22.1 25.8 15 43 E S E -C 6 0B 0 126,-2.5 16,-0.4 -9,-0.2 -9,-0.2 -0.953 28.6-115.3-117.4 145.0 0.9 24.2 26.3 16 44 E L - 0 0 0 -11,-2.7 -12,-3.0 -2,-0.4 14,-0.2 -0.560 27.9-164.7 -76.0 136.1 -1.0 26.4 23.7 17 45 E G - 0 0 0 12,-2.9 2,-0.3 1,-0.3 13,-0.2 0.933 55.6 -19.7 -86.1 -76.9 -0.8 30.0 24.9 18 46 E F E -F 29 0B 4 11,-0.6 11,-2.6 -15,-0.1 2,-0.4 -0.999 54.3-123.1-133.2 147.2 -3.3 32.0 23.0 19 47 E N E +F 28 0B 4 -2,-0.3 166,-0.6 58,-0.3 2,-0.3 -0.670 44.8 171.8 -82.4 126.2 -5.3 31.7 19.7 20 48 E V E -FG 27 184B 0 7,-2.7 7,-2.6 -2,-0.4 2,-0.4 -0.881 12.8-161.6-132.9 164.3 -4.4 34.8 17.6 21 48AE R E -FG 26 183B 86 162,-2.2 162,-1.9 -2,-0.3 2,-0.4 -0.993 18.9-156.1-152.1 161.2 -5.1 35.8 14.1 22 48BE S E > S-F 25 0B 53 3,-3.3 3,-3.0 -2,-0.4 160,-0.1 -0.968 74.6 -49.1-136.7 119.5 -4.1 38.0 11.3 23 48CE G T 3 S- 0 0 71 -2,-0.4 159,-0.0 1,-0.3 0, 0.0 -0.303 125.1 -21.2 55.1-120.5 -6.8 38.8 8.8 24 48DE S T 3 S+ 0 0 114 -3,-0.1 2,-0.6 -2,-0.1 -1,-0.3 0.179 117.1 103.2 -97.3 9.0 -8.2 35.3 7.9 25 49 E T E < -F 22 0B 55 -3,-3.0 -3,-3.3 43,-0.0 2,-0.4 -0.887 56.9-156.5-104.9 123.0 -5.1 33.5 9.1 26 50 E Y E +F 21 0B 76 -2,-0.6 43,-2.0 -5,-0.2 2,-0.3 -0.774 21.1 156.7 -96.2 142.5 -5.2 31.7 12.3 27 51 E Y E -FH 20 68B 49 -7,-2.6 -7,-2.7 -2,-0.4 2,-0.4 -0.926 28.4-133.1-145.3 174.8 -2.2 30.9 14.5 28 52 E F E -FH 19 67B 0 39,-2.0 39,-2.1 -2,-0.3 2,-0.3 -0.990 15.0-134.9-136.9 148.9 -1.4 30.2 18.1 29 53 E L E +FH 18 66B 0 -11,-2.6 -12,-2.9 -2,-0.4 -11,-0.6 -0.669 33.0 153.5 -94.5 151.0 1.3 31.5 20.3 30 54 E T E - H 0 65B 0 35,-2.1 35,-2.1 -2,-0.3 112,-0.2 -0.894 50.7 -50.4-155.0-171.4 3.4 29.4 22.6 31 55 E A >> - 0 0 0 -16,-0.4 4,-1.8 -2,-0.3 3,-0.9 -0.453 38.2-136.1 -71.7 147.5 6.8 29.4 24.1 32 56 E G H 3> S+ 0 0 0 26,-0.3 4,-1.9 1,-0.3 27,-0.2 0.848 106.4 60.0 -63.6 -37.3 9.8 30.0 21.9 33 57 E H H 34 S+ 0 0 26 1,-0.2 -1,-0.3 2,-0.2 26,-0.1 0.747 106.9 47.1 -67.8 -12.7 11.7 27.2 23.6 34 58 E a H <4 S+ 0 0 7 -3,-0.9 -1,-0.2 1,-0.1 -2,-0.2 0.867 113.7 45.6 -92.9 -36.1 8.9 24.9 22.5 35 59 E T H >< S+ 0 0 2 -4,-1.8 3,-2.3 2,-0.1 -2,-0.2 0.682 84.8 112.1 -78.9 -17.5 8.9 26.1 18.9 36 60 E D T 3< S- 0 0 102 -4,-1.9 3,-0.1 1,-0.3 29,-0.0 -0.367 98.7 -8.8 -62.9 118.3 12.7 26.0 18.6 37 62 E G T 3 S+ 0 0 74 1,-0.2 2,-0.4 -2,-0.2 -1,-0.3 0.742 106.8 118.7 65.8 23.6 13.5 23.2 16.2 38 63 E A < + 0 0 7 -3,-2.3 -1,-0.2 1,-0.2 16,-0.1 -0.937 34.2 177.2-113.9 144.7 9.9 21.9 16.0 39 64 E T + 0 0 102 -2,-0.4 15,-2.8 1,-0.4 2,-0.3 0.805 61.6 32.1-108.0 -58.6 8.1 21.8 12.8 40 65 E T E - I 0 53B 38 13,-0.2 2,-0.4 27,-0.1 -30,-0.4 -0.741 64.1-155.1-103.2 145.6 4.7 20.3 13.1 41 66 E W E - I 0 52B 0 11,-2.6 10,-3.4 -2,-0.3 11,-1.3 -0.962 7.3-165.0-118.5 143.2 2.4 20.4 16.1 42 67 E W E -DI 8 50B 47 -34,-2.7 -34,-2.4 -2,-0.4 8,-0.3 -0.848 24.3-134.4-123.9 162.3 -0.3 17.9 17.0 43 68 E A S S+ 0 0 29 6,-3.2 2,-0.3 -2,-0.3 7,-0.1 0.564 86.1 45.9 -93.1 -6.0 -3.2 18.0 19.5 44 78 E N S > S- 0 0 44 5,-0.5 3,-2.3 -36,-0.1 -36,-0.1 -0.950 79.8-119.2-141.6 153.2 -2.6 14.5 20.9 45 79 E S T 3 S+ 0 0 78 -2,-0.3 -1,-0.1 1,-0.3 -38,-0.0 0.744 115.4 60.2 -60.0 -25.4 0.2 12.3 22.2 46 80 E A T 3 S- 0 0 62 1,-0.0 -1,-0.3 3,-0.0 -3,-0.0 0.560 105.0-133.0 -75.2 -12.8 -0.7 9.8 19.4 47 81 E R < + 0 0 84 -3,-2.3 -2,-0.1 2,-0.1 3,-0.1 0.915 68.5 124.7 61.6 40.9 0.1 12.6 16.9 48 82 E T + 0 0 100 1,-0.2 2,-0.6 -4,-0.1 -1,-0.1 0.844 57.4 59.8-102.6 -29.2 -3.1 11.9 15.0 49 83 E T S S- 0 0 56 -5,-0.1 -6,-3.2 22,-0.0 -5,-0.5 -0.903 77.9-148.6-102.3 109.6 -4.7 15.3 15.0 50 84 E V E -I 42 0B 53 -2,-0.6 -8,-0.3 -8,-0.3 3,-0.1 -0.557 18.5-179.7 -78.7 144.7 -2.5 17.8 13.3 51 85 E L E - 0 0 0 -10,-3.4 19,-2.4 1,-0.4 20,-1.7 0.782 48.5 -86.6-105.8 -55.6 -2.6 21.4 14.4 52 86 E G E -IJ 41 69B 0 -11,-1.3 -11,-2.6 17,-0.3 -1,-0.4 -0.972 41.1 -70.3 171.7-163.1 -0.2 23.2 12.2 53 87 E T E -IJ 40 68B 41 15,-1.7 15,-2.9 -2,-0.3 -13,-0.2 -0.944 46.8 -95.0-129.1 145.6 3.5 24.1 11.6 54 88 E T E + J 0 67B 39 -15,-2.8 13,-0.3 -2,-0.4 3,-0.1 -0.309 34.7 175.2 -56.1 137.1 5.8 26.5 13.2 55 89 E S E + 0 0 63 11,-2.5 2,-0.3 1,-0.3 12,-0.2 0.571 67.6 8.0-114.9 -23.4 6.0 30.0 11.5 56 90 E G E - J 0 66B 16 10,-1.7 10,-1.9 2,-0.0 2,-0.4 -0.988 55.2-172.8-161.7 150.3 8.3 31.8 13.9 57 91 E S E - J 0 65B 49 -2,-0.3 2,-0.4 8,-0.3 8,-0.2 -0.944 1.3-176.5-152.0 124.3 10.4 31.1 16.9 58 93 E S E + J 0 64B 28 6,-2.8 6,-1.9 -2,-0.4 -26,-0.3 -0.835 23.0 159.5-128.8 94.1 12.2 33.5 19.1 59 94 E F + 0 0 29 -2,-0.4 2,-0.2 -27,-0.2 4,-0.1 -0.864 45.9 28.6-161.3 139.2 14.3 31.9 21.9 60 99AE P S S+ 0 0 49 0, 0.0 2,-2.2 0, 0.0 66,-0.2 0.451 122.5 30.9 -76.4-160.2 16.7 32.7 23.7 61 100 E N B S+k 126 0C 86 64,-2.5 66,-2.3 -2,-0.2 2,-0.2 -0.402 135.1 24.2 80.7 -62.7 16.6 36.5 24.3 62 101 E N S S- 0 0 20 -2,-2.2 66,-0.1 64,-0.2 67,-0.0 -0.586 78.0-141.1-111.4-172.7 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 -0.433 55.9 101.1-152.3 72.8 10.7 33.4 24.6 64 103 E Y E + J 0 58B 16 -6,-1.9 -6,-2.8 -33,-0.3 2,-0.3 -0.988 33.6 175.1-147.6 151.6 7.8 33.2 22.1 65 104 E G E -HJ 30 57B 0 -35,-2.1 -35,-2.1 -2,-0.3 2,-0.4 -0.971 17.5-141.0-146.6 168.3 7.0 31.3 18.9 66 105 E I E -HJ 29 56B 4 -10,-1.9 -11,-2.5 -2,-0.3 -10,-1.7 -0.970 5.8-157.8-138.7 144.5 3.9 31.1 16.6 67 106 E V E -HJ 28 54B 0 -39,-2.1 -39,-2.0 -2,-0.4 2,-0.5 -0.989 15.6-134.9-122.9 130.5 2.4 28.2 14.9 68 107 E R E -HJ 27 53B 99 -15,-2.9 -15,-1.7 -2,-0.4 -41,-0.2 -0.759 24.7-121.6 -89.9 127.3 0.2 28.5 11.8 69 108 E Y E + J 0 52B 18 -43,-2.0 -17,-0.3 -2,-0.5 -43,-0.2 -0.489 36.7 166.4 -66.9 133.2 -2.9 26.4 11.8 70 109 E T + 0 0 64 -19,-2.4 2,-0.6 -2,-0.1 -18,-0.2 0.208 53.7 96.7-122.4 -6.0 -3.2 23.9 8.9 71 110 E N - 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