==== 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 1SGE . 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) . 9695.0 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 . 15 6.4 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 0.000 360.0 360.0 360.0 136.0 -8.6 23.9 21.4 2 17 E S > - 0 0 9 74,-0.1 3,-2.0 76,-0.1 14,-0.3 -0.874 360.0 -51.1-133.7 178.7 -8.0 26.8 23.6 3 18 E G B 3 S+a 80 0A 0 76,-2.7 78,-0.7 74,-0.3 14,-0.2 -0.185 120.3 25.4 -52.5 131.4 -5.3 28.5 25.8 4 19 E G T 3 S+ 0 0 1 12,-3.4 -1,-0.2 1,-0.3 101,-0.2 0.158 89.1 128.3 100.5 -20.4 -3.8 26.1 28.3 5 29 E D < - 0 0 45 -3,-2.0 11,-2.8 10,-0.1 -1,-0.3 -0.324 66.0 -94.5 -69.2 155.2 -4.4 22.9 26.3 6 30 E A E -C 15 0B 22 9,-0.2 2,-0.3 96,-0.2 9,-0.2 -0.268 37.9-171.2 -66.7 146.4 -1.6 20.5 25.6 7 31 E I E -C 14 0B 0 7,-2.1 7,-3.2 38,-0.0 2,-0.5 -0.997 7.9-151.2-134.7 142.3 0.3 20.6 22.3 8 32 E Y E +CD 13 42B 42 34,-2.7 34,-2.8 -2,-0.3 5,-0.2 -0.920 13.1 179.8-122.6 136.5 2.8 18.1 21.1 9 33 E S - 0 0 2 3,-2.5 32,-0.1 -2,-0.5 29,-0.1 -0.465 52.9 -87.0-113.6-168.1 5.8 18.4 18.9 10 34 E S S S+ 0 0 87 30,-0.4 3,-0.1 1,-0.2 28,-0.1 0.762 126.8 41.1 -75.9 -19.0 8.1 15.7 17.8 11 39 E T S S- 0 0 66 1,-0.2 2,-0.3 23,-0.1 -1,-0.2 0.839 121.5 -45.9 -96.3 -39.3 10.2 16.3 20.9 12 40 E G - 0 0 11 22,-0.1 -3,-2.5 190,-0.1 2,-0.4 -0.870 62.7 -63.0-168.7-158.5 7.7 16.8 23.8 13 41 E R E +CE 8 201B 37 188,-2.0 188,-2.4 -2,-0.3 -5,-0.2 -0.932 41.0 162.9-120.4 138.2 4.7 18.5 25.2 14 42 E a E -C 7 0B 5 -7,-3.2 -7,-2.1 -2,-0.4 2,-0.3 -0.567 35.7-102.4-128.6-167.7 4.0 22.1 25.7 15 43 E S E -C 6 0B 0 126,-2.4 16,-0.4 -9,-0.2 2,-0.3 -0.932 28.8-114.6-122.1 142.4 0.8 24.2 26.3 16 44 E L - 0 0 0 -11,-2.8 -12,-3.4 -2,-0.3 14,-0.2 -0.630 28.0-165.0 -70.9 130.3 -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 0.939 57.3 -22.7 -81.5 -76.4 -0.7 30.0 24.9 18 46 E F E -F 29 0B 4 11,-0.7 11,-2.5 -15,-0.1 2,-0.4 -0.998 53.5-124.5-139.3 145.6 -3.3 32.0 22.9 19 47 E N E +F 28 0B 4 -2,-0.3 166,-0.5 58,-0.3 2,-0.3 -0.709 43.0 170.1 -84.0 132.6 -5.2 31.6 19.7 20 48 E V E -FG 27 184B 0 7,-2.7 7,-2.3 -2,-0.4 2,-0.3 -0.881 13.5-160.4-135.7 169.5 -4.5 34.8 17.6 21 48AE R E -FG 26 183B 90 162,-2.7 162,-2.1 -2,-0.3 2,-0.3 -0.976 17.3-154.7-152.8 169.9 -5.1 35.8 14.0 22 48BE S E > S-F 25 0B 52 3,-2.3 3,-2.4 -2,-0.3 2,-0.2 -0.912 75.7 -45.0-147.6 110.8 -4.2 38.1 11.2 23 48CE G T 3 S- 0 0 69 -2,-0.3 159,-0.0 1,-0.3 0, 0.0 -0.442 125.6 -23.2 63.9-123.1 -6.8 38.8 8.7 24 48DE S T 3 S+ 0 0 109 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.273 115.9 104.0 -97.2 6.3 -8.2 35.4 7.9 25 49 E T E < -F 22 0B 50 -3,-2.4 -3,-2.3 43,-0.0 2,-0.3 -0.879 56.5-153.9-102.5 126.4 -5.1 33.4 9.0 26 50 E Y E +F 21 0B 78 -2,-0.6 43,-2.5 -5,-0.2 2,-0.3 -0.744 22.2 155.4 -99.3 138.9 -5.1 31.7 12.3 27 51 E Y E -FH 20 68B 46 -7,-2.3 -7,-2.7 -2,-0.3 2,-0.4 -0.918 28.4-132.7-140.2 177.3 -2.2 30.9 14.5 28 52 E F E -FH 19 67B 0 39,-1.8 39,-2.5 -2,-0.3 2,-0.3 -0.985 14.4-134.9-137.2 149.4 -1.4 30.2 18.1 29 53 E L E +FH 18 66B 0 -11,-2.5 -12,-2.6 -2,-0.4 -11,-0.7 -0.738 32.9 154.3 -94.9 145.0 1.3 31.5 20.3 30 54 E T E - H 0 65B 0 35,-2.2 35,-1.9 -2,-0.3 2,-0.2 -0.837 51.5 -54.9-147.1-170.2 3.4 29.3 22.5 31 55 E A >> - 0 0 0 -16,-0.4 4,-1.9 -2,-0.3 3,-0.8 -0.472 38.3-134.6 -73.6 147.6 6.8 29.5 24.1 32 56 E G H 3> S+ 0 0 0 26,-0.3 4,-2.1 1,-0.3 27,-0.2 0.865 107.2 61.0 -68.2 -36.0 9.9 30.0 21.7 33 57 E H H 34 S+ 0 0 26 1,-0.2 -1,-0.3 2,-0.2 26,-0.1 0.797 107.3 46.1 -63.3 -16.4 11.7 27.2 23.6 34 58 E a H <4 S+ 0 0 6 -3,-0.8 -2,-0.2 1,-0.1 -1,-0.2 0.882 114.0 45.5 -90.7 -40.9 8.9 24.9 22.5 35 59 E T H >< S+ 0 0 2 -4,-1.9 3,-2.4 2,-0.1 -2,-0.2 0.717 86.5 108.9 -72.2 -22.6 8.9 26.1 18.8 36 60 E D T 3< S- 0 0 101 -4,-2.1 3,-0.1 1,-0.3 29,-0.0 -0.348 100.0 -5.4 -60.2 122.1 12.7 26.0 18.5 37 62 E G T 3 S+ 0 0 71 1,-0.2 2,-0.4 -2,-0.1 -1,-0.3 0.705 108.2 117.9 65.7 16.6 13.5 23.1 16.3 38 63 E A < + 0 0 7 -3,-2.4 -1,-0.2 1,-0.2 3,-0.1 -0.891 32.1 172.3-109.7 147.2 9.8 21.9 16.0 39 64 E T + 0 0 98 1,-0.4 15,-2.8 -2,-0.4 2,-0.3 0.714 60.8 35.2-114.0 -65.2 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 -0.661 65.4-156.2 -96.7 144.8 4.8 20.2 13.0 41 66 E W E - I 0 52B 0 11,-2.4 10,-3.5 -2,-0.3 11,-1.2 -0.981 7.2-167.0-120.0 138.1 2.4 20.4 16.0 42 67 E W E -DI 8 50B 54 -34,-2.8 -34,-2.7 -2,-0.4 8,-0.2 -0.906 25.6-135.2-124.8 158.1 -0.3 17.9 17.0 43 68 E A S S+ 0 0 30 6,-2.8 2,-0.3 -2,-0.3 7,-0.1 0.545 86.2 41.3 -85.7 -7.3 -3.3 18.1 19.5 44 78 E N S > S- 0 0 46 5,-0.5 3,-1.8 -36,-0.1 -36,-0.1 -0.945 80.4-115.3-140.9 160.0 -2.7 14.5 21.0 45 79 E S T 3 S+ 0 0 76 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.829 114.1 61.1 -64.5 -27.9 0.1 12.3 22.1 46 80 E A T 3 S- 0 0 66 1,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.505 104.3-132.9 -74.8 -3.8 -0.7 9.8 19.4 47 81 E R < + 0 0 84 -3,-1.8 -2,-0.1 2,-0.1 3,-0.1 0.860 69.1 124.4 54.0 40.3 0.1 12.5 16.9 48 82 E T + 0 0 103 1,-0.2 2,-0.6 2,-0.0 -1,-0.1 0.845 57.5 61.6 -99.3 -25.9 -3.0 11.8 15.0 49 83 E T S S- 0 0 55 -5,-0.1 -6,-2.8 22,-0.0 -5,-0.5 -0.895 76.9-149.1-103.9 113.9 -4.7 15.2 15.0 50 84 E V E +I 42 0B 53 -2,-0.6 -8,-0.3 -8,-0.2 3,-0.1 -0.556 19.2 178.8 -82.7 139.8 -2.5 17.8 13.3 51 85 E L E - 0 0 0 -10,-3.5 19,-2.3 1,-0.4 20,-2.0 0.821 49.1 -85.5-100.8 -58.3 -2.6 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 -0.956 42.0 -68.7 176.0-162.3 -0.2 23.2 12.1 53 87 E T E -IJ 40 68B 43 15,-1.8 15,-3.0 -2,-0.3 -13,-0.2 -0.948 46.1 -95.8-126.7 145.4 3.4 24.2 11.5 54 88 E T E + J 0 67B 34 -15,-2.8 13,-0.3 -2,-0.4 3,-0.1 -0.324 36.0 174.4 -56.0 126.9 5.9 26.5 13.1 55 89 E S E + 0 0 51 11,-2.4 2,-0.3 1,-0.4 12,-0.2 0.541 66.9 4.0-107.1 -18.6 5.9 29.9 11.4 56 90 E G E - J 0 66B 16 10,-1.5 10,-2.3 2,-0.0 -1,-0.4 -0.956 55.3-172.1-167.4 149.4 8.3 31.7 13.8 57 91 E S E - J 0 65B 50 -2,-0.3 2,-0.4 8,-0.3 8,-0.3 -0.961 2.1-174.9-150.9 130.1 10.4 31.1 16.8 58 93 E S E + J 0 64B 26 6,-3.4 6,-1.8 -2,-0.3 -26,-0.3 -0.845 24.3 163.3-130.4 98.4 12.3 33.5 19.1 59 94 E F + 0 0 29 -2,-0.4 2,-0.2 -27,-0.2 4,-0.1 -0.908 44.7 26.1-165.3 138.5 14.4 32.0 21.8 60 99AE P S S+ 0 0 36 0, 0.0 2,-2.3 0, 0.0 66,-0.2 0.451 121.5 32.2 -79.2-157.6 16.6 32.6 23.7 61 100 E N B S+k 126 0C 87 64,-2.4 66,-2.7 -2,-0.2 2,-0.2 -0.408 134.2 24.8 82.7 -62.9 16.7 36.4 24.4 62 101 E N S S- 0 0 41 -2,-2.3 66,-0.1 64,-0.2 67,-0.0 -0.576 80.3-140.9-109.7-172.2 13.0 36.5 24.0 63 102 E D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.1 108,-0.3 -0.457 55.0 102.8-154.9 75.0 10.7 33.4 24.6 64 103 E Y E + J 0 58B 16 -6,-1.8 -6,-3.4 -33,-0.3 2,-0.3 -0.979 32.6 173.8-150.7 153.0 7.9 33.2 22.1 65 104 E G E -HJ 30 57B 0 -35,-1.9 -35,-2.2 -2,-0.3 2,-0.4 -0.963 16.3-144.5-151.0 163.4 7.0 31.3 18.9 66 105 E I E -HJ 29 56B 4 -10,-2.3 -11,-2.4 -2,-0.3 -10,-1.5 -0.995 4.3-155.6-138.5 148.9 3.9 31.1 16.7 67 106 E V E -HJ 28 54B 0 -39,-2.5 -39,-1.8 -2,-0.4 2,-0.5 -0.953 15.8-133.7-125.0 133.3 2.4 28.2 14.8 68 107 E R E -HJ 27 53B 94 -15,-3.0 -15,-1.8 -2,-0.4 -41,-0.3 -0.755 26.6-120.8 -90.8 131.3 0.2 28.5 11.7 69 108 E Y E + J 0 52B 19 -43,-2.5 -17,-0.3 -2,-0.5 -43,-0.2 -0.556 36.0 167.9 -72.6 132.2 -3.0 26.4 11.8 70 109 E T + 0 0 70 -19,-2.3 2,-0.6 -2,-0.2 -18,-0.2 0.379 54.9 96.3-118.2 -18.6 -3.3 23.8 8.9 71 110 E N - 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