==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUN-07 2QAA . COMPND 2 MOLECULE: STREPTOGRISIN-B; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR T.W.LEE,M.N.G.JAMES . 372 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 150 40.3 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 . 6 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 . 1 0.3 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 . 21 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 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 6 4 4 4 0 2 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 2 2 0 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 A I 0 0 27 0, 0.0 76,-1.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 146.7 10.6 -2.8 63.5 2 17 A S > - 0 0 9 74,-0.2 3,-2.0 76,-0.1 14,-0.3 -0.847 360.0 -49.5-146.4 175.9 11.0 -0.3 60.6 3 18 A G B 3 S+a 80 0A 0 76,-2.5 78,-0.6 74,-0.3 14,-0.2 -0.288 120.7 25.0 -56.0 133.7 13.4 0.8 57.9 4 19 A G T 3 S+ 0 0 2 12,-3.1 -1,-0.2 1,-0.3 101,-0.2 0.188 90.0 128.3 97.6 -13.8 16.8 1.6 59.2 5 29 A D < - 0 0 48 -3,-2.0 11,-2.8 1,-0.1 -1,-0.3 -0.374 67.3 -89.9 -74.4 155.5 16.6 -0.7 62.3 6 30 A A E -C 15 0B 23 9,-0.2 2,-0.3 96,-0.1 9,-0.2 -0.349 40.6-174.2 -64.2 142.9 19.3 -3.2 63.1 7 31 A I E -C 14 0B 0 7,-2.2 7,-2.6 -3,-0.1 2,-0.4 -0.983 9.2-151.7-135.9 145.8 19.0 -6.8 61.8 8 32 A Y E -CD 13 42B 39 34,-2.5 34,-2.7 -2,-0.3 5,-0.2 -0.970 9.7-173.3-125.8 127.2 21.4 -9.6 62.7 9 33 A S - 0 0 4 3,-2.7 32,-0.1 -2,-0.4 29,-0.1 -0.345 53.1 -83.3 -95.6-170.7 22.3 -12.7 60.7 10 34 A S S S+ 0 0 74 30,-0.4 3,-0.1 1,-0.2 31,-0.1 0.634 129.6 33.7 -65.9 -16.2 24.4 -15.6 61.9 11 39 A T S S- 0 0 127 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.607 121.5 -36.4-118.0 -16.1 27.5 -13.6 61.1 12 40 A G - 0 0 28 22,-0.1 -3,-2.7 127,-0.0 2,-0.4 -0.975 61.8 -64.0 177.2-171.1 26.8 -9.8 61.7 13 41 A R E +C 8 0B 88 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.893 39.7 154.2-109.9 135.9 24.7 -6.8 61.7 14 42 A a E -C 7 0B 12 -7,-2.6 -7,-2.2 -2,-0.4 2,-0.4 -0.602 39.8 -95.5-132.7-161.9 23.1 -4.9 58.8 15 43 A S E -C 6 0B 0 126,-2.5 16,-0.3 -9,-0.2 -9,-0.2 -0.958 28.1-113.2-126.2 142.6 20.0 -2.6 58.5 16 44 A L - 0 0 0 -11,-2.8 -12,-3.1 -2,-0.4 14,-0.2 -0.518 26.5-163.6 -66.1 136.9 16.5 -3.3 57.4 17 45 A G - 0 0 0 12,-2.6 2,-0.4 1,-0.3 13,-0.2 0.926 57.6 -27.2 -85.3 -80.9 15.7 -1.5 54.2 18 46 A F E -E 29 0B 4 11,-0.7 11,-2.6 -15,-0.1 2,-0.3 -0.998 55.5-119.2-136.6 145.4 11.9 -1.4 53.8 19 47 A N E +E 28 0B 3 -2,-0.4 166,-0.8 58,-0.3 2,-0.3 -0.665 44.5 172.6 -74.3 133.4 9.1 -3.6 55.0 20 48 A V E -EF 27 184B 0 7,-2.6 7,-2.7 -2,-0.3 2,-0.3 -0.870 12.2-167.8-139.4 170.7 7.2 -5.0 51.9 21 48AA R E -EF 26 183B 88 162,-2.1 162,-2.4 -2,-0.3 2,-0.4 -0.992 24.9-149.1-155.7 161.6 4.5 -7.5 51.2 22 48BA S E > S-E 25 0B 27 3,-2.1 3,-2.1 -2,-0.3 160,-0.1 -0.949 85.1 -43.7-129.0 112.3 2.6 -9.5 48.6 23 48CA G T 3 S- 0 0 57 -2,-0.4 -1,-0.1 1,-0.3 291,-0.0 -0.354 122.9 -26.0 60.7-139.0 -0.9 -9.8 49.9 24 48DA S T 3 S+ 0 0 91 -3,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.187 113.8 106.6 -92.5 18.7 -0.8 -10.6 53.6 25 49 A T E < -E 22 0B 6 -3,-2.1 -3,-2.1 43,-0.0 2,-0.3 -0.892 60.7-155.0-100.8 118.1 2.7 -12.2 53.3 26 50 A Y E +E 21 0B 68 -2,-0.6 43,-1.9 -5,-0.2 2,-0.3 -0.710 22.5 156.2-100.3 145.6 5.2 -9.8 54.8 27 51 A Y E -EG 20 68B 6 -7,-2.7 -7,-2.6 -2,-0.3 2,-0.4 -0.866 28.4-130.9-143.7 172.6 8.9 -9.5 54.1 28 52 A F E -EG 19 67B 0 39,-2.2 39,-2.5 -2,-0.3 2,-0.3 -0.994 14.6-135.7-132.1 151.5 11.7 -6.9 54.3 29 53 A L E +EG 18 66B 0 -11,-2.6 -12,-2.6 -2,-0.4 -11,-0.7 -0.754 32.6 153.6 -92.3 146.2 14.2 -5.9 51.8 30 54 A T E - G 0 65B 0 35,-2.0 35,-2.1 -2,-0.3 2,-0.2 -0.794 50.8 -53.8-148.7-168.5 17.9 -5.4 52.6 31 55 A A >> - 0 0 0 -16,-0.3 4,-1.6 33,-0.3 3,-0.8 -0.510 38.3-134.6 -74.5 146.1 21.2 -5.5 50.7 32 56 A G H 3> S+ 0 0 0 26,-0.3 4,-1.9 1,-0.3 27,-0.2 0.824 106.1 60.4 -65.8 -34.6 22.1 -8.6 48.8 33 57 A H H 34 S+ 0 0 47 1,-0.2 -1,-0.3 2,-0.2 26,-0.1 0.698 107.2 48.5 -68.7 -16.6 25.6 -8.7 50.2 34 58 A a H <4 S+ 0 0 11 -3,-0.8 -2,-0.2 1,-0.1 -1,-0.2 0.823 113.3 44.5 -85.1 -38.2 24.0 -9.1 53.6 35 59 A T H >< S+ 0 0 2 -4,-1.6 3,-2.1 2,-0.1 -2,-0.2 0.726 86.4 107.5 -77.3 -22.1 21.6 -11.8 52.6 36 60 A D T 3< S+ 0 0 102 -4,-1.9 3,-0.1 1,-0.3 22,-0.0 -0.405 99.0 0.1 -62.0 120.9 24.3 -13.8 50.7 37 62 A G T 3 S+ 0 0 76 1,-0.3 -1,-0.3 -2,-0.2 2,-0.2 0.372 107.1 122.7 78.5 -4.2 25.1 -16.8 52.9 38 63 A A < + 0 0 11 -3,-2.1 -1,-0.3 1,-0.2 3,-0.1 -0.541 29.2 168.4 -88.4 155.3 22.5 -15.8 55.5 39 64 A T + 0 0 91 1,-0.5 15,-2.8 -2,-0.2 -1,-0.2 0.354 62.3 30.0-121.7 -93.0 19.6 -17.9 56.8 40 65 A T E - H 0 53B 40 13,-0.2 -1,-0.5 27,-0.0 2,-0.4 -0.399 64.6-156.9 -75.1 148.5 17.9 -16.7 59.9 41 66 A W E - H 0 52B 0 11,-2.5 10,-3.2 -32,-0.1 11,-1.5 -0.979 7.2-165.5-122.5 143.1 17.7 -13.0 60.9 42 67 A W E -DH 8 50B 46 -34,-2.7 -34,-2.5 -2,-0.4 8,-0.2 -0.826 24.3-136.4-123.5 159.4 17.1 -11.7 64.4 43 68 A A S S+ 0 0 30 6,-2.8 2,-0.3 -2,-0.3 7,-0.1 0.580 85.6 47.7 -87.8 -15.1 16.2 -8.3 65.8 44 78 A N S > S- 0 0 43 5,-0.4 3,-1.9 -36,-0.1 5,-0.1 -0.934 79.2-121.0-133.4 155.1 18.7 -8.2 68.6 45 79 A S T 3 S+ 0 0 80 -2,-0.3 -1,-0.1 1,-0.3 -38,-0.0 0.836 113.2 61.6 -64.4 -31.2 22.4 -8.9 69.1 46 80 A A T 3 S- 0 0 70 1,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.588 104.6-134.5 -70.4 -10.2 21.6 -11.6 71.6 47 81 A R S < S+ 0 0 85 -3,-1.9 -2,-0.1 2,-0.1 3,-0.1 0.892 71.1 116.5 57.6 50.5 19.8 -13.5 68.8 48 82 A T + 0 0 107 1,-0.2 2,-0.8 2,-0.0 -1,-0.1 0.592 57.2 68.5-116.4 -22.3 16.7 -14.3 70.8 49 83 A T S S- 0 0 57 -5,-0.1 -6,-2.8 22,-0.0 -5,-0.4 -0.884 77.7-151.7-100.8 103.9 14.0 -12.3 68.9 50 84 A V E +H 42 0B 55 -2,-0.8 -8,-0.3 -8,-0.2 3,-0.1 -0.535 20.2 179.3 -73.3 137.6 13.7 -14.0 65.5 51 85 A L E - 0 0 0 -10,-3.2 19,-2.5 1,-0.3 20,-1.5 0.805 50.0 -86.5 -95.1 -52.9 12.6 -12.0 62.5 52 86 A G E -HI 41 69B 0 -11,-1.5 -11,-2.5 17,-0.3 2,-0.4 -0.952 44.7 -60.1 171.1-156.0 12.5 -14.5 59.7 53 87 A T E -HI 40 68B 42 15,-2.2 15,-2.9 -2,-0.3 -13,-0.2 -0.963 45.5-101.5-130.3 137.3 14.5 -16.3 57.0 54 88 A T E + I 0 67B 15 -15,-2.8 13,-0.3 -2,-0.4 220,-0.1 -0.315 38.1 172.5 -53.0 136.1 16.4 -15.2 54.0 55 89 A S E + 0 0 1 11,-3.2 221,-2.9 1,-0.4 2,-0.3 0.359 59.5 7.2-134.3 2.7 14.3 -15.8 50.9 56 90 A G E - I 0 66B 13 10,-1.2 10,-2.0 219,-0.2 -1,-0.4 -0.893 51.9-173.6-178.6 151.4 16.3 -14.2 48.1 57 91 A S E - I 0 65B 49 -2,-0.3 2,-0.5 8,-0.2 8,-0.3 -0.925 5.6-176.4-154.5 130.7 19.7 -12.5 47.3 58 93 A S E + I 0 64B 31 6,-3.2 6,-2.0 -2,-0.3 -26,-0.3 -0.909 27.0 163.1-128.9 98.2 21.0 -10.8 44.3 59 94 A F + 0 0 31 -2,-0.5 2,-0.2 -27,-0.2 4,-0.1 -0.846 46.9 27.3-164.2 134.0 24.7 -9.8 44.7 60 99AA P S S+ 0 0 34 0, 0.0 2,-2.1 0, 0.0 66,-0.2 0.468 122.5 32.4 -75.5-154.8 26.9 -9.0 42.9 61 100 A N B S+j 126 0C 93 64,-2.7 66,-2.5 -2,-0.2 2,-0.2 -0.490 135.9 23.6 74.8 -63.2 25.6 -7.3 39.7 62 101 A N S S- 0 0 28 -2,-2.1 66,-0.1 64,-0.2 67,-0.0 -0.540 77.2-141.2-103.9-178.4 22.8 -6.0 41.8 63 102 A D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.1 108,-0.3 -0.476 56.5 104.7-144.2 74.9 22.8 -5.5 45.6 64 103 A Y E + I 0 58B 18 -6,-2.0 -6,-3.2 -33,-0.3 2,-0.3 -0.989 32.5 169.6-144.8 157.8 19.4 -6.5 47.0 65 104 A G E -GI 30 57B 0 -35,-2.1 -35,-2.0 -2,-0.3 2,-0.3 -0.962 19.6-133.8-158.1 174.0 17.8 -9.3 49.0 66 105 A I E -GI 29 56B 0 -10,-2.0 -11,-3.2 -2,-0.3 -10,-1.2 -0.988 5.4-158.3-141.7 142.9 14.7 -10.3 50.8 67 106 A V E -GI 28 54B 0 -39,-2.5 -39,-2.2 -2,-0.3 2,-0.5 -0.987 16.3-138.6-124.1 127.5 13.8 -11.8 54.1 68 107 A R E -GI 27 53B 10 -15,-2.9 -15,-2.2 -2,-0.4 -41,-0.2 -0.782 24.9-123.3 -86.1 123.1 10.5 -13.6 54.9 69 108 A Y E + I 0 52B 9 -43,-1.9 -17,-0.3 -2,-0.5 -43,-0.2 -0.458 33.4 171.0 -65.1 136.3 9.0 -12.8 58.3 70 109 A T + 0 0 62 -19,-2.5 2,-0.7 -2,-0.2 -18,-0.2 0.423 57.8 89.9-115.2 -9.3 8.3 -15.7 60.5 71 110 A N - 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