==== 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 2SGF . 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) . 9723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 64.4 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 . 12 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.6 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 28 0, 0.0 76,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 146.2 -8.6 23.8 21.5 2 17 E S > - 0 0 9 74,-0.1 3,-1.9 76,-0.1 14,-0.3 -0.865 360.0 -49.4-142.8 179.6 -7.9 26.8 23.7 3 18 E G B 3 S+a 80 0A 0 76,-2.7 78,-0.6 74,-0.3 14,-0.2 -0.274 120.2 24.2 -56.6 132.6 -5.3 28.4 25.8 4 19 E G T 3 S+ 0 0 1 12,-3.2 -1,-0.2 1,-0.4 101,-0.2 0.226 90.0 129.0 99.4 -17.1 -3.7 26.1 28.3 5 29 E D < - 0 0 45 -3,-1.9 11,-2.7 1,-0.1 -1,-0.4 -0.400 66.6 -91.3 -71.9 156.1 -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 -0.312 38.8-171.8 -67.2 144.4 -1.6 20.4 25.6 7 31 E I E -C 14 0B 0 7,-2.2 7,-3.0 -3,-0.1 2,-0.4 -0.996 6.9-155.1-131.5 143.0 0.4 20.7 22.4 8 32 E Y E +CD 13 42B 44 34,-2.7 34,-3.2 -2,-0.4 5,-0.2 -0.937 12.1 178.1-126.2 132.6 2.9 18.0 21.1 9 33 E S - 0 0 2 3,-2.2 32,-0.1 -2,-0.4 29,-0.1 -0.421 53.4 -82.3-112.5-164.2 5.8 18.4 18.8 10 34 E S S S+ 0 0 84 30,-0.4 28,-0.1 1,-0.2 31,-0.1 0.802 127.6 38.3 -74.9 -25.3 8.2 15.8 17.7 11 39 E T S S- 0 0 67 23,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.759 121.6 -45.8 -96.4 -32.9 10.2 16.2 20.9 12 40 E G - 0 0 11 22,-0.1 -3,-2.2 190,-0.1 2,-0.4 -0.891 63.2 -61.7-174.7-156.7 7.7 16.8 23.8 13 41 E R E +CE 8 201B 35 188,-2.0 188,-2.3 -2,-0.3 -5,-0.2 -0.957 40.6 160.9-124.6 135.6 4.7 18.5 25.2 14 42 E a E -C 7 0B 5 -7,-3.0 -7,-2.2 -2,-0.4 2,-0.3 -0.530 36.8-102.7-126.1-165.5 4.0 22.2 25.8 15 43 E S E -C 6 0B 0 126,-2.4 16,-0.4 -9,-0.3 -9,-0.2 -0.950 29.8-110.0-123.0 152.4 0.8 24.2 26.3 16 44 E L - 0 0 0 -11,-2.7 -12,-3.2 -2,-0.3 14,-0.2 -0.563 28.0-162.9 -76.4 135.4 -1.0 26.4 23.8 17 45 E G - 0 0 0 12,-3.0 2,-0.3 1,-0.3 13,-0.2 0.917 58.0 -27.0 -83.7 -79.6 -0.7 30.0 24.9 18 46 E F E -F 29 0B 4 11,-0.6 11,-2.4 -15,-0.1 2,-0.3 -0.998 54.6-121.1-137.9 145.4 -3.4 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 -0.675 44.3 171.3 -80.9 133.6 -5.2 31.6 19.7 20 48 E V E -FG 27 184B 0 7,-2.8 7,-2.8 -2,-0.3 2,-0.3 -0.908 13.6-158.6-140.3 165.1 -4.5 34.7 17.6 21 48AE R E -FG 26 183B 96 162,-2.2 162,-2.2 -2,-0.3 2,-0.4 -0.984 17.6-155.8-150.8 163.1 -5.1 35.8 14.0 22 48BE S E > S-F 25 0B 51 3,-2.8 3,-2.8 -2,-0.3 2,-0.3 -0.956 76.0 -45.4-140.2 115.3 -4.1 38.1 11.3 23 48CE G T 3 S- 0 0 64 -2,-0.4 159,-0.0 1,-0.3 0, 0.0 -0.415 125.9 -23.3 62.5-119.6 -6.8 38.7 8.7 24 48DE S T 3 S+ 0 0 106 -2,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.189 116.3 104.7-100.5 9.3 -8.2 35.4 8.0 25 49 E T E < -F 22 0B 52 -3,-2.8 -3,-2.8 43,-0.0 2,-0.3 -0.908 56.3-153.8-105.8 125.3 -5.1 33.4 9.1 26 50 E Y E +F 21 0B 76 -2,-0.6 43,-2.4 -5,-0.2 2,-0.3 -0.739 21.3 158.9 -98.6 140.9 -5.2 31.7 12.4 27 51 E Y E -FH 20 68B 48 -7,-2.8 -7,-2.8 -2,-0.3 2,-0.4 -0.904 27.6-133.4-142.6 172.9 -2.3 30.9 14.5 28 52 E F E -FH 19 67B 0 39,-2.0 39,-2.4 -2,-0.3 2,-0.3 -0.987 15.0-138.2-132.0 147.6 -1.4 30.1 18.1 29 53 E L E +FH 18 66B 0 -11,-2.4 -12,-3.0 -2,-0.4 -11,-0.6 -0.766 31.4 153.3 -96.9 151.3 1.3 31.5 20.3 30 54 E T E - H 0 65B 0 35,-2.1 35,-1.9 -2,-0.3 112,-0.2 -0.866 51.6 -52.1-154.2-171.7 3.4 29.4 22.6 31 55 E A >> - 0 0 0 -16,-0.4 4,-1.7 -2,-0.2 3,-0.6 -0.461 38.7-135.2 -74.0 146.3 6.9 29.5 24.1 32 56 E G H 3> S+ 0 0 0 26,-0.3 4,-1.9 1,-0.2 27,-0.2 0.833 106.7 61.6 -64.7 -35.4 9.9 30.0 21.8 33 57 E H H 34 S+ 0 0 25 1,-0.2 -1,-0.2 2,-0.2 26,-0.1 0.788 107.2 45.0 -66.8 -18.2 11.7 27.2 23.6 34 58 E a H <4 S+ 0 0 6 -3,-0.6 -2,-0.2 1,-0.1 -1,-0.2 0.852 114.7 46.5 -88.5 -39.0 9.0 24.9 22.5 35 59 E T H >< S+ 0 0 3 -4,-1.7 3,-2.3 2,-0.1 2,-0.2 0.718 85.6 108.5 -75.4 -21.8 8.9 26.1 18.9 36 60 E D T 3< S- 0 0 104 -4,-1.9 3,-0.1 1,-0.3 29,-0.0 -0.340 99.7 -5.8 -60.0 116.6 12.7 26.0 18.5 37 62 E G T 3 S+ 0 0 70 1,-0.2 2,-0.4 -2,-0.2 -1,-0.3 0.687 107.0 116.2 73.2 12.6 13.5 23.1 16.3 38 63 E A < + 0 0 6 -3,-2.3 -1,-0.2 1,-0.2 16,-0.1 -0.900 33.3 174.4-109.5 142.8 9.9 21.8 16.0 39 64 E T + 0 0 98 -2,-0.4 15,-2.8 1,-0.4 2,-0.3 0.800 61.9 34.9-110.1 -58.7 8.2 21.9 12.8 40 65 E T E - I 0 53B 38 13,-0.2 2,-0.4 27,-0.0 -1,-0.4 -0.749 64.4-158.9 -99.7 146.9 4.8 20.2 13.1 41 66 E W E - I 0 52B 0 11,-2.5 10,-3.1 -2,-0.3 11,-1.2 -0.965 5.4-164.4-122.8 145.3 2.5 20.3 16.1 42 67 E W E -DI 8 50B 54 -34,-3.2 -34,-2.7 -2,-0.4 8,-0.2 -0.892 25.3-133.0-126.6 164.1 -0.3 17.9 17.0 43 68 E A S S+ 0 0 28 6,-2.9 2,-0.3 -2,-0.3 7,-0.1 0.590 86.6 41.5 -87.5 -14.7 -3.2 18.0 19.4 44 78 E N S > S- 0 0 44 5,-0.5 3,-2.2 -36,-0.1 -36,-0.1 -0.931 79.7-115.8-138.6 159.2 -2.6 14.5 21.0 45 79 E S T 3 S+ 0 0 75 -2,-0.3 -1,-0.1 1,-0.3 -38,-0.0 0.771 115.3 59.1 -63.5 -21.4 0.1 12.3 22.2 46 80 E A T 3 S- 0 0 66 1,-0.0 -1,-0.3 3,-0.0 -3,-0.0 0.571 104.4-133.5 -79.9 -10.2 -0.6 9.8 19.5 47 81 E R < + 0 0 83 -3,-2.2 -2,-0.1 2,-0.1 3,-0.1 0.924 68.4 124.3 60.1 45.5 0.0 12.5 16.9 48 82 E T + 0 0 103 1,-0.2 2,-0.7 -4,-0.0 -1,-0.1 0.786 58.3 61.6-105.2 -25.5 -3.0 11.8 15.0 49 83 E T S S- 0 0 55 -5,-0.1 -6,-2.9 22,-0.0 -5,-0.5 -0.896 76.6-150.7-104.1 111.6 -4.6 15.2 15.0 50 84 E V E -I 42 0B 54 -2,-0.7 -8,-0.3 -8,-0.2 3,-0.1 -0.490 17.9-179.4 -78.0 148.6 -2.5 17.8 13.4 51 85 E L E - 0 0 0 -10,-3.1 19,-2.7 1,-0.4 20,-1.8 0.711 49.8 -87.0-109.7 -53.5 -2.6 21.4 14.5 52 86 E G E -IJ 41 69B 0 -11,-1.2 -11,-2.5 17,-0.3 -1,-0.4 -0.967 42.3 -66.0 171.8-161.9 -0.2 23.1 12.2 53 87 E T E -IJ 40 68B 40 15,-1.6 15,-2.8 -2,-0.3 -13,-0.2 -0.946 46.8 -97.3-125.9 144.3 3.4 24.1 11.5 54 88 E T E + J 0 67B 33 -15,-2.8 13,-0.3 -2,-0.4 3,-0.1 -0.279 35.7 174.5 -54.7 133.1 5.8 26.5 13.2 55 89 E S E + 0 0 58 11,-2.7 2,-0.3 1,-0.4 12,-0.2 0.557 66.0 8.6-115.5 -17.9 6.0 29.9 11.5 56 90 E G E - J 0 66B 16 10,-1.6 10,-2.2 2,-0.0 -1,-0.4 -0.974 55.4-174.7-164.6 152.8 8.2 31.8 13.9 57 91 E S E - J 0 65B 52 -2,-0.3 2,-0.4 8,-0.3 8,-0.3 -0.954 3.4-177.6-156.3 129.9 10.4 31.2 16.9 58 93 E S E + J 0 64B 26 6,-3.0 6,-2.1 -2,-0.3 -26,-0.3 -0.869 23.0 161.2-134.4 99.6 12.3 33.5 19.1 59 94 E F + 0 0 26 -2,-0.4 2,-0.2 -27,-0.2 4,-0.1 -0.872 46.5 28.5-165.4 137.9 14.4 32.0 21.9 60 99AE P S S+ 0 0 35 0, 0.0 2,-2.0 0, 0.0 66,-0.2 0.501 122.3 31.4 -79.4-161.2 16.7 32.7 23.7 61 100 E N B S+k 126 0C 93 64,-2.7 66,-2.7 -2,-0.2 2,-0.2 -0.496 134.9 24.7 83.8 -67.6 16.6 36.5 24.4 62 101 E N S S- 0 0 42 -2,-2.0 66,-0.1 64,-0.2 2,-0.0 -0.568 78.5-141.2-105.1-175.5 12.9 36.5 24.0 63 102 E D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.1 108,-0.2 -0.496 55.9 103.3-149.9 71.8 10.7 33.4 24.7 64 103 E Y E + J 0 58B 21 -6,-2.1 -6,-3.0 -33,-0.3 2,-0.3 -0.990 33.0 173.5-145.6 154.7 7.8 33.3 22.1 65 104 E G E -HJ 30 57B 0 -35,-1.9 -35,-2.1 -2,-0.3 2,-0.4 -0.959 17.4-142.1-151.6 166.0 6.9 31.3 18.9 66 105 E I E -HJ 29 56B 4 -10,-2.2 -11,-2.7 -2,-0.3 -10,-1.6 -0.978 5.4-158.6-140.6 140.6 3.9 31.1 16.7 67 106 E V E -HJ 28 54B 0 -39,-2.4 -39,-2.0 -2,-0.4 2,-0.5 -0.988 16.0-136.3-119.7 130.6 2.4 28.2 14.9 68 107 E R E -HJ 27 53B 97 -15,-2.8 -15,-1.6 -2,-0.4 -41,-0.2 -0.717 25.5-119.7 -91.7 131.0 0.2 28.5 11.9 69 108 E Y E + J 0 52B 21 -43,-2.4 -17,-0.3 -2,-0.5 -43,-0.2 -0.507 36.5 167.9 -69.9 135.9 -2.9 26.4 11.9 70 109 E T + 0 0 66 -19,-2.7 2,-0.7 -2,-0.2 -18,-0.2 0.334 53.6 96.7-120.0 -9.9 -3.2 23.9 9.0 71 110 E N - 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