==== 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 2SGQ . 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) . 9784.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 66.5 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 . 89 37.7 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 . 16 6.8 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 . 1 6 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,-1.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 148.7 -8.6 23.7 21.5 2 17 E S > - 0 0 7 74,-0.1 3,-1.9 76,-0.1 14,-0.3 -0.841 360.0 -49.9-140.6 178.7 -8.0 26.7 23.7 3 18 E G B 3 S+a 80 0A 0 76,-2.4 78,-0.8 -2,-0.3 14,-0.2 -0.279 121.4 24.9 -53.5 128.7 -5.4 28.5 25.9 4 19 E G T 3 S+ 0 0 1 12,-3.3 -1,-0.2 1,-0.3 101,-0.2 0.161 90.5 129.3 103.1 -25.1 -3.8 26.1 28.3 5 29 E D < - 0 0 47 -3,-1.9 11,-3.2 1,-0.1 -1,-0.3 -0.285 65.2 -92.9 -68.3 156.7 -4.4 22.9 26.3 6 30 E A E -C 15 0B 22 9,-0.2 2,-0.4 96,-0.2 9,-0.3 -0.314 38.0-170.5 -68.9 145.8 -1.6 20.4 25.6 7 31 E I E -C 14 0B 0 7,-2.7 7,-3.2 -2,-0.0 2,-0.5 -0.999 6.7-153.2-136.4 140.2 0.4 20.6 22.4 8 32 E Y E +CD 13 42B 41 34,-2.6 34,-2.9 -2,-0.4 5,-0.2 -0.915 13.2 176.9-122.0 133.1 2.8 18.0 21.1 9 33 E S E - D 0 41B 2 3,-2.6 32,-0.2 -2,-0.5 29,-0.1 -0.572 52.8 -84.2-114.6-168.6 5.7 18.4 18.9 10 34 E S S S+ 0 0 86 30,-0.5 3,-0.1 -2,-0.2 31,-0.1 0.826 126.7 39.4 -65.0 -32.7 8.2 15.9 17.7 11 39 E T S S- 0 0 72 1,-0.2 2,-0.3 23,-0.2 -1,-0.2 0.831 121.6 -51.0 -90.0 -39.9 10.1 16.3 20.9 12 40 E G - 0 0 11 22,-0.1 -3,-2.6 190,-0.1 2,-0.4 -0.878 64.1 -57.7-171.5-154.4 7.7 16.7 23.8 13 41 E R E +CE 8 201B 35 188,-2.3 188,-2.3 -2,-0.3 -5,-0.2 -0.910 41.3 161.7-120.9 138.7 4.7 18.5 25.2 14 42 E a E -C 7 0B 4 -7,-3.2 -7,-2.7 -2,-0.4 2,-0.4 -0.609 36.4-100.3-131.7-171.3 4.0 22.1 25.8 15 43 E S E -C 6 0B 0 126,-2.6 16,-0.3 -9,-0.3 -9,-0.2 -0.949 29.6-111.6-118.6 145.5 0.8 24.2 26.3 16 44 E L - 0 0 0 -11,-3.2 -12,-3.3 -2,-0.4 14,-0.2 -0.532 28.4-164.6 -71.7 131.7 -1.1 26.3 23.9 17 45 E G - 0 0 0 12,-3.1 2,-0.3 1,-0.3 13,-0.2 0.919 56.5 -27.3 -83.4 -78.1 -0.7 30.0 24.9 18 46 E F E -F 29 0B 4 11,-0.6 11,-2.9 -15,-0.1 2,-0.4 -1.000 53.0-119.8-139.1 148.8 -3.4 31.9 23.0 19 47 E N E +F 28 0B 3 -2,-0.3 166,-0.7 58,-0.3 2,-0.3 -0.688 44.8 169.5 -80.0 127.6 -5.3 31.6 19.8 20 48 E V E -FG 27 184B 0 7,-2.5 7,-2.7 -2,-0.4 2,-0.3 -0.871 13.3-160.3-134.9 165.6 -4.6 34.7 17.6 21 48AE R E -FG 26 183B 96 162,-2.4 162,-2.0 -2,-0.3 2,-0.4 -0.987 18.4-157.0-152.1 166.3 -5.2 35.8 14.1 22 48BE S E > S-F 25 0B 53 3,-2.8 3,-2.8 -2,-0.3 2,-0.1 -0.947 75.5 -43.8-141.6 116.3 -4.3 38.0 11.3 23 48CE G T 3 S- 0 0 70 -2,-0.4 159,-0.0 1,-0.3 0, 0.0 -0.400 125.5 -24.5 62.0-128.9 -6.9 38.6 8.7 24 48DE S T 3 S+ 0 0 107 -2,-0.1 2,-0.6 -3,-0.1 -1,-0.3 0.218 115.5 109.4 -98.9 13.9 -8.4 35.3 8.0 25 49 E T E < -F 22 0B 51 -3,-2.8 -3,-2.8 43,-0.0 2,-0.4 -0.853 55.1-152.9-103.9 124.3 -5.3 33.5 9.2 26 50 E Y E +F 21 0B 78 -2,-0.6 43,-2.4 -5,-0.2 2,-0.3 -0.756 22.9 157.1 -92.7 132.1 -5.4 31.5 12.4 27 51 E Y E -FH 20 68B 48 -7,-2.7 -7,-2.5 -2,-0.4 2,-0.4 -0.927 27.7-136.4-137.6 171.2 -2.3 30.9 14.5 28 52 E F E -FH 19 67B 0 39,-2.2 39,-2.2 -2,-0.3 2,-0.3 -0.982 14.8-136.0-129.0 149.3 -1.5 30.0 18.1 29 53 E L E +FH 18 66B 0 -11,-2.9 -12,-3.1 -2,-0.4 -11,-0.6 -0.722 32.3 152.9 -95.6 148.3 1.2 31.4 20.3 30 54 E T E - H 0 65B 0 35,-1.9 35,-1.9 -2,-0.3 2,-0.2 -0.860 51.9 -56.2-152.7-174.6 3.4 29.3 22.6 31 55 E A >> - 0 0 0 -16,-0.3 4,-1.9 -2,-0.3 3,-0.6 -0.499 38.5-133.5 -70.2 146.6 6.9 29.6 24.1 32 56 E G H 3> S+ 0 0 0 26,-0.3 4,-1.9 1,-0.2 27,-0.2 0.809 106.9 62.8 -66.5 -32.1 9.8 30.0 21.7 33 57 E H H 34 S+ 0 0 26 1,-0.2 -1,-0.2 2,-0.2 26,-0.1 0.812 106.7 45.5 -67.4 -19.7 11.7 27.3 23.6 34 58 E a H <4 S+ 0 0 6 -3,-0.6 -2,-0.2 1,-0.1 -1,-0.2 0.912 114.5 46.8 -84.2 -43.2 8.9 24.9 22.5 35 59 E T H >< S+ 0 0 2 -4,-1.9 3,-2.3 2,-0.1 2,-0.2 0.748 85.8 107.7 -70.0 -22.2 8.9 26.2 18.8 36 60 E D T 3< S- 0 0 102 -4,-1.9 3,-0.1 1,-0.3 29,-0.0 -0.322 100.0 -5.6 -62.7 117.1 12.6 26.0 18.5 37 62 E G T 3 S+ 0 0 75 1,-0.2 2,-0.4 -2,-0.2 -1,-0.3 0.722 106.3 119.0 73.4 18.3 13.4 23.1 16.3 38 63 E A < + 0 0 7 -3,-2.3 -1,-0.2 1,-0.2 3,-0.1 -0.919 30.6 171.9-112.7 137.9 9.8 21.9 16.0 39 64 E T + 0 0 100 -2,-0.4 15,-2.7 1,-0.4 2,-0.3 0.734 62.8 37.0-108.8 -61.2 8.1 21.9 12.7 40 65 E T E - I 0 53B 38 13,-0.2 -30,-0.5 27,-0.0 -1,-0.4 -0.735 62.8-160.4 -98.8 147.5 4.8 20.1 13.2 41 66 E W E -DI 9 52B 0 11,-2.1 10,-3.4 -2,-0.3 11,-1.3 -0.972 6.3-168.5-124.6 138.0 2.4 20.3 16.1 42 67 E W E -DI 8 50B 45 -34,-2.9 -34,-2.6 -2,-0.4 8,-0.2 -0.910 26.6-133.1-122.9 160.2 -0.4 17.9 17.0 43 68 E A S S+ 0 0 29 6,-2.9 2,-0.3 -2,-0.3 7,-0.1 0.626 85.5 43.3 -82.7 -16.0 -3.3 18.0 19.5 44 78 E N S > S- 0 0 43 5,-0.4 3,-2.1 -36,-0.1 5,-0.1 -0.930 80.0-115.2-133.9 164.0 -2.7 14.5 21.0 45 79 E S T 3 S+ 0 0 78 -2,-0.3 -1,-0.1 1,-0.3 -38,-0.0 0.825 115.2 58.9 -60.4 -35.3 0.0 12.2 22.3 46 80 E A T 3 S- 0 0 65 1,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.531 105.3-131.9 -72.2 -7.4 -0.7 9.7 19.4 47 81 E R < + 0 0 89 -3,-2.1 -2,-0.1 2,-0.1 3,-0.1 0.918 69.7 122.9 59.1 47.1 0.1 12.5 17.0 48 82 E T + 0 0 101 1,-0.2 2,-0.7 -4,-0.1 -1,-0.1 0.714 55.6 64.3-111.0 -19.2 -3.0 11.9 15.0 49 83 E T S S- 0 0 53 -5,-0.1 -6,-2.9 22,-0.0 -5,-0.4 -0.929 76.7-150.0-106.6 107.8 -4.7 15.2 15.1 50 84 E V E +I 42 0B 55 -2,-0.7 -8,-0.3 -8,-0.2 3,-0.1 -0.480 19.0 179.9 -78.2 145.0 -2.6 17.8 13.3 51 85 E L E - 0 0 0 -10,-3.4 19,-2.2 1,-0.4 20,-2.1 0.754 48.3 -86.1-109.6 -51.5 -2.7 21.3 14.4 52 86 E G E -IJ 41 69B 0 -11,-1.3 -11,-2.1 17,-0.3 2,-0.4 -0.984 42.6 -65.7 170.8-163.0 -0.4 23.1 12.2 53 87 E T E -IJ 40 68B 46 15,-1.8 15,-3.2 -2,-0.3 -13,-0.2 -0.926 44.5 -98.7-130.4 144.5 3.2 24.2 11.5 54 88 E T E + J 0 67B 38 -15,-2.7 13,-0.3 -2,-0.4 3,-0.1 -0.304 35.6 173.7 -53.1 129.1 5.7 26.5 13.2 55 89 E S E + 0 0 62 11,-2.6 2,-0.3 1,-0.4 12,-0.2 0.549 65.5 4.5-113.2 -15.2 5.9 29.9 11.5 56 90 E G E - J 0 66B 15 10,-1.6 10,-2.4 2,-0.0 -1,-0.4 -0.952 55.4-171.2-168.4 152.5 8.2 31.7 13.8 57 91 E S E - J 0 65B 52 -2,-0.3 2,-0.4 8,-0.3 8,-0.3 -0.966 2.5-173.7-156.2 125.5 10.3 31.2 16.8 58 93 E S E + J 0 64B 28 6,-3.3 6,-1.9 -2,-0.3 -26,-0.3 -0.894 24.7 161.7-125.1 100.3 12.1 33.6 19.1 59 94 E F + 0 0 28 -2,-0.4 2,-0.2 4,-0.2 4,-0.1 -0.845 45.2 26.8-168.1 139.2 14.4 32.1 21.8 60 99AE P S S+ 0 0 35 0, 0.0 2,-2.2 0, 0.0 66,-0.2 0.471 122.6 31.5 -78.6-157.0 16.6 32.7 23.7 61 100 E N B S+k 126 0C 90 64,-2.6 66,-2.5 -2,-0.2 2,-0.2 -0.376 134.4 24.6 77.6 -64.2 16.6 36.5 24.4 62 101 E N S S- 0 0 46 -2,-2.2 66,-0.1 64,-0.2 2,-0.0 -0.677 78.9-141.5-108.0-173.1 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 -0.458 54.3 107.5-151.0 73.6 10.6 33.4 24.6 64 103 E Y E + J 0 58B 18 -6,-1.9 -6,-3.3 -33,-0.3 2,-0.3 -0.979 32.1 175.8-143.6 152.7 7.8 33.3 22.0 65 104 E G E -HJ 30 57B 0 -35,-1.9 -35,-1.9 -2,-0.3 2,-0.3 -0.951 15.4-146.1-147.2 164.0 6.9 31.2 19.0 66 105 E I E -HJ 29 56B 3 -10,-2.4 -11,-2.6 -2,-0.3 -10,-1.6 -0.991 5.5-162.2-139.5 143.1 3.9 31.1 16.6 67 106 E V E -HJ 28 54B 0 -39,-2.2 -39,-2.2 -2,-0.3 2,-0.4 -0.986 16.7-135.7-127.4 131.4 2.3 28.1 14.8 68 107 E R E -HJ 27 53B 104 -15,-3.2 -15,-1.8 -2,-0.4 -41,-0.2 -0.768 24.7-118.0 -93.4 130.7 0.0 28.5 11.9 69 108 E Y E + J 0 52B 17 -43,-2.4 -17,-0.3 -2,-0.4 -43,-0.2 -0.525 37.5 166.1 -68.8 134.1 -3.1 26.3 11.9 70 109 E T + 0 0 64 -19,-2.2 2,-0.6 -2,-0.2 -18,-0.2 0.377 54.5 96.3-119.4 -16.9 -3.4 23.9 9.0 71 110 E N - 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