==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 03-APR-06 2GKV . COMPND 2 MOLECULE: STREPTOGRISIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR T.W.LEE,M.A.QASIM,M.LASKOWSKI JR.,M.N.G.JAMES . 287 3 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12149.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 33.4 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 . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 18 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 2 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 6 5 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 3 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 0 0, 0.0 76,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 135.2 9.0 10.0 19.9 2 17 E S > - 0 0 3 74,-0.2 3,-2.0 76,-0.1 14,-0.3 -0.843 360.0 -42.6-140.9-180.0 5.7 12.0 19.8 3 18 E G B 3 S+a 80 0A 0 76,-2.7 78,-0.7 74,-0.3 14,-0.2 -0.245 123.0 21.3 -56.3 131.5 4.2 15.0 17.9 4 19 E G T 3 S+ 0 0 0 12,-3.4 -1,-0.2 1,-0.3 101,-0.2 0.089 91.7 132.3 98.6 -18.4 6.5 17.9 17.4 5 29 E D < - 0 0 0 -3,-2.0 11,-3.0 1,-0.1 -1,-0.3 -0.249 65.4 -89.0 -65.1 153.8 9.7 15.9 17.9 6 30 E A E -C 15 0B 0 277,-1.6 2,-0.3 278,-0.4 9,-0.2 -0.361 42.3-177.8 -61.3 135.0 12.7 16.1 15.5 7 31 E I E -C 14 0B 0 7,-2.2 7,-2.4 -3,-0.1 2,-0.5 -0.985 12.6-148.1-131.5 149.7 12.8 13.8 12.5 8 32 E Y E -CD 13 42B 8 34,-2.8 34,-2.7 -2,-0.3 5,-0.2 -0.946 12.8-174.5-128.9 125.5 15.7 13.8 10.1 9 33 E S - 0 0 9 3,-1.9 32,-0.1 -2,-0.5 26,-0.0 -0.277 52.1 -89.0 -92.7-173.7 15.8 13.1 6.3 10 34 E S S S+ 0 0 90 30,-0.3 3,-0.1 1,-0.2 31,-0.1 0.670 126.4 35.8 -70.7 -14.9 19.0 12.8 4.4 11 39 E T S S- 0 0 79 1,-0.1 2,-0.3 224,-0.0 -1,-0.2 0.563 124.3 -37.9-116.1 -9.3 18.9 16.6 3.7 12 40 E G - 0 0 6 190,-0.1 -3,-1.9 22,-0.1 2,-0.4 -0.902 63.5 -67.3-178.0-151.8 17.5 18.2 6.8 13 41 E R E +CE 8 201B 20 188,-2.2 188,-2.5 -2,-0.3 2,-0.2 -0.968 35.1 161.6-143.7 133.3 15.1 18.2 9.7 14 42 E a E -C 7 0B 6 -7,-2.4 -7,-2.2 -2,-0.4 2,-0.4 -0.628 38.0 -95.8-128.7-164.7 11.3 18.5 10.0 15 43 E S E -C 6 0B 0 126,-2.6 16,-0.3 -9,-0.2 -9,-0.2 -0.959 28.6-109.4-122.5 142.6 8.9 17.6 12.9 16 44 E L - 0 0 0 -11,-3.0 -12,-3.4 -2,-0.4 14,-0.2 -0.482 28.0-162.8 -64.9 137.1 6.8 14.6 13.6 17 45 E G - 0 0 0 12,-2.6 2,-0.3 1,-0.3 13,-0.2 0.918 57.5 -31.5 -85.1 -87.3 3.1 15.4 13.1 18 46 E F E -F 29 0B 3 11,-0.5 11,-2.5 -15,-0.1 2,-0.4 -0.997 55.6-117.2-132.8 150.9 1.0 12.7 14.9 19 47 E N E +F 28 0B 4 58,-0.4 166,-0.8 -2,-0.3 2,-0.3 -0.640 45.9 173.5 -79.8 135.9 1.6 9.0 15.5 20 48 E V E -FG 27 184B 0 7,-3.0 7,-2.8 -2,-0.4 2,-0.3 -0.886 15.7-160.2-138.7 167.4 -1.1 7.0 13.7 21 48AE R E -FG 26 183B 98 162,-2.2 162,-2.2 -2,-0.3 2,-0.4 -0.991 17.1-158.7-147.8 161.6 -2.0 3.5 13.0 22 48BE S E > S-F 25 0B 53 3,-2.3 3,-2.2 -2,-0.3 160,-0.1 -0.962 79.5 -44.6-137.9 116.2 -4.1 1.2 10.7 23 48CE G T 3 S- 0 0 70 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.389 125.4 -23.7 56.6-122.0 -4.7 -2.2 12.4 24 48DE S T 3 S+ 0 0 108 -3,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.325 115.0 104.3 -98.7 -0.0 -1.4 -3.2 13.8 25 49 E T E < -F 22 0B 55 -3,-2.2 -3,-2.3 43,-0.0 2,-0.3 -0.840 57.9-153.1 -91.8 120.2 0.8 -1.0 11.5 26 50 E Y E +F 21 0B 77 -2,-0.6 43,-1.9 -5,-0.2 2,-0.3 -0.677 21.7 159.2 -99.7 138.0 2.2 2.2 13.0 27 51 E Y E -FH 20 68B 46 -7,-2.8 -7,-3.0 -2,-0.3 2,-0.4 -0.915 29.2-132.1-135.1 174.4 3.1 5.3 11.1 28 52 E F E -FH 19 67B 0 39,-2.2 39,-2.6 -2,-0.3 2,-0.3 -0.987 17.3-136.3-128.1 146.7 3.6 9.0 11.6 29 53 E L E +FH 18 66B 0 -11,-2.5 -12,-2.6 -2,-0.4 -11,-0.5 -0.721 32.7 157.5 -88.3 148.0 2.2 11.9 9.6 30 54 E T E - H 0 65B 0 35,-2.2 35,-2.0 -2,-0.3 2,-0.2 -0.814 48.4 -55.7-148.7-173.9 4.3 14.8 8.6 31 55 E A > - 0 0 0 -16,-0.3 4,-1.8 33,-0.2 3,-0.4 -0.507 38.5-133.6 -67.9 143.4 4.3 17.6 5.9 32 56 E G H > S+ 0 0 0 26,-0.3 4,-2.0 1,-0.2 27,-0.2 0.823 107.1 58.9 -64.4 -30.4 4.2 16.5 2.3 33 57 E H H 4 S+ 0 0 26 1,-0.2 -1,-0.2 2,-0.2 26,-0.1 0.792 107.7 48.0 -74.6 -20.5 7.0 18.9 1.4 34 58 E a H 4 S+ 0 0 10 -3,-0.4 -1,-0.2 1,-0.1 -2,-0.2 0.850 115.2 42.5 -77.2 -49.3 9.2 17.0 3.9 35 59 E T H >< S+ 0 0 2 -4,-1.8 3,-1.3 2,-0.1 -2,-0.2 0.738 88.5 106.9 -70.1 -25.0 8.2 13.6 2.5 36 60 E D T 3< S- 0 0 98 -4,-2.0 3,-0.1 1,-0.3 22,-0.0 -0.375 101.3 -3.6 -60.5 116.9 8.5 14.7 -1.2 37 62 E G T 3 S+ 0 0 78 1,-0.2 -1,-0.3 20,-0.0 2,-0.2 0.258 109.5 115.6 80.6 -13.4 11.7 13.1 -2.5 38 63 E A < + 0 0 22 -3,-1.3 -1,-0.2 -4,-0.2 3,-0.1 -0.499 33.2 171.3 -84.9 148.6 12.7 11.6 1.0 39 64 E T + 0 0 95 1,-0.5 15,-2.8 -2,-0.2 -1,-0.2 0.406 61.1 37.1-116.2 -68.1 12.8 7.9 1.5 40 65 E T E - I 0 53B 36 13,-0.2 -1,-0.5 27,-0.0 2,-0.4 -0.344 63.1-157.2 -97.1 148.0 14.3 7.1 4.9 41 66 E W E - I 0 52B 1 11,-2.6 10,-3.0 -32,-0.1 11,-1.3 -0.951 6.6-161.8-125.2 140.8 13.8 8.9 8.1 42 67 E W E -DI 8 50B 36 -34,-2.7 -34,-2.8 -2,-0.4 8,-0.2 -0.885 22.2-138.9-121.0 159.6 16.1 8.9 11.2 43 68 E A S S+ 0 0 1 6,-2.7 240,-0.6 -2,-0.3 2,-0.3 0.550 85.5 45.0 -94.4 -6.9 15.5 9.9 14.9 44 78 E N S > S- 0 0 33 5,-0.5 3,-1.8 -36,-0.1 5,-0.2 -0.931 80.6-117.9-144.8 153.0 18.9 11.6 15.2 45 79 E S T 3 S+ 0 0 25 194,-0.6 195,-0.2 -2,-0.3 -1,-0.1 0.681 113.2 63.7 -67.1 -17.9 21.1 14.1 13.4 46 80 E A T 3 S- 0 0 26 193,-0.4 -1,-0.3 3,-0.0 194,-0.1 0.603 100.9-137.6 -74.0 -12.9 23.9 11.4 13.1 47 81 E R S < S+ 0 0 80 -3,-1.8 -2,-0.1 2,-0.1 3,-0.1 0.890 71.1 117.6 52.8 44.5 21.4 9.4 10.9 48 82 E T + 0 0 101 1,-0.2 2,-0.5 -4,-0.0 -1,-0.1 0.428 60.1 64.7-111.1 -13.6 22.4 6.2 12.8 49 83 E T S S- 0 0 45 -5,-0.2 -6,-2.7 22,-0.0 -5,-0.5 -0.924 77.9-148.9-116.8 106.7 19.0 5.5 14.3 50 84 E V E -I 42 0B 57 -2,-0.5 -8,-0.3 -8,-0.2 3,-0.1 -0.473 18.0-177.8 -76.4 139.8 16.3 4.7 11.6 51 85 E L E - 0 0 0 -10,-3.0 19,-2.5 1,-0.4 20,-1.6 0.862 53.8 -83.3 -95.2 -53.8 12.7 5.6 12.2 52 86 E G E -IJ 41 69B 0 -11,-1.3 -11,-2.6 17,-0.3 2,-0.4 -0.962 45.7 -64.8 175.5-154.4 11.2 4.2 9.0 53 87 E T E -IJ 40 68B 44 15,-2.2 15,-3.0 -2,-0.3 -13,-0.2 -0.956 44.8-100.2-135.5 140.7 10.4 4.8 5.4 54 88 E T E + J 0 67B 34 -15,-2.8 13,-0.3 -2,-0.4 3,-0.1 -0.365 36.0 175.0 -61.2 130.8 8.2 7.2 3.5 55 89 E S E - 0 0 59 11,-3.1 2,-0.3 1,-0.4 12,-0.2 0.525 62.4 -0.7-113.9 -19.2 5.0 5.5 2.5 56 90 E G E - J 0 66B 16 10,-1.5 10,-2.5 2,-0.0 -1,-0.4 -0.937 53.6-170.9-167.0 159.0 3.1 8.4 0.9 57 91 E S E - J 0 65B 51 -2,-0.3 2,-0.4 8,-0.3 8,-0.2 -0.978 6.8-172.6-160.8 137.5 3.3 12.1 0.1 58 93 E S E + J 0 64B 29 6,-2.7 6,-2.0 -2,-0.3 -26,-0.3 -0.925 25.7 163.6-136.5 89.3 0.9 14.8 -1.2 59 94 E F + 0 0 29 -2,-0.4 2,-0.2 4,-0.2 4,-0.2 -0.849 48.9 32.3-143.7 152.1 2.6 18.0 -2.0 60 99AE P S S+ 0 0 31 0, 0.0 2,-1.8 0, 0.0 66,-0.2 0.484 120.2 29.1 -60.0-157.0 1.6 20.4 -3.7 61 100 E N B S+k 126 0C 93 64,-2.5 66,-3.1 -2,-0.2 2,-0.2 -0.518 135.3 22.5 83.7 -53.9 -2.2 21.0 -3.6 62 101 E N S S- 0 0 48 -2,-1.8 2,-0.1 64,-0.2 66,-0.1 -0.572 78.1-137.8-112.6-169.9 -2.2 19.5 -0.1 63 102 E D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.2 108,-0.3 -0.565 55.3 108.4-151.9 73.2 0.7 19.2 2.3 64 103 E Y E + J 0 58B 29 -6,-2.0 -6,-2.7 -33,-0.3 2,-0.3 -0.985 30.1 169.8-145.3 156.3 0.8 15.8 4.1 65 104 E G E -HJ 30 57B 0 -35,-2.0 -35,-2.2 -2,-0.3 2,-0.4 -0.958 18.9-137.6-160.2 166.8 2.8 12.6 4.0 66 105 E I E -HJ 29 56B 3 -10,-2.5 -11,-3.1 -2,-0.3 -10,-1.5 -0.992 5.1-158.4-138.8 142.5 3.2 9.5 6.0 67 106 E V E -HJ 28 54B 0 -39,-2.6 -39,-2.2 -2,-0.4 2,-0.5 -0.986 16.3-137.1-125.3 123.0 6.1 7.4 7.2 68 107 E R E -HJ 27 53B 101 -15,-3.0 -15,-2.2 -2,-0.4 -41,-0.2 -0.780 24.9-121.7 -79.9 129.7 5.9 3.8 8.1 69 108 E Y E + J 0 52B 21 -43,-1.9 -17,-0.3 -2,-0.5 -43,-0.2 -0.417 35.8 167.5 -68.6 133.7 7.8 2.8 11.2 70 109 E T + 0 0 68 -19,-2.5 2,-0.7 -2,-0.2 -18,-0.2 0.536 55.9 90.2-116.6 -10.7 10.5 0.1 10.8 71 110 E N - 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