==== 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 2QA9 . COMPND 2 MOLECULE: STREPTOGRISIN-B; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR T.W.LEE,M.N.G.JAMES . 189 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7352.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 41.3 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 . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 . 8 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 0 0 0 1 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 . 1 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 4 3 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 . 1 0 0 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 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 30 0, 0.0 76,-1.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 141.3 10.0 -8.1 -9.0 2 17 E S > - 0 0 18 74,-0.2 3,-2.2 76,-0.1 14,-0.3 -0.882 360.0 -63.7-137.3 164.4 6.2 -8.9 -9.2 3 18 E G T 3 S+ 0 0 1 76,-0.6 78,-0.4 74,-0.4 14,-0.2 -0.250 120.3 27.6 -54.0 136.3 3.7 -10.3 -11.6 4 19 E G T 3 S+ 0 0 1 12,-2.8 -1,-0.2 1,-0.3 101,-0.2 0.132 91.6 125.6 94.8 -14.8 3.3 -8.1 -14.6 5 29 E D < - 0 0 43 -3,-2.2 11,-2.8 1,-0.1 -1,-0.3 -0.307 68.6 -88.2 -77.1 158.2 6.8 -6.6 -14.5 6 30 E A E -A 15 0A 22 9,-0.2 2,-0.4 96,-0.1 9,-0.2 -0.321 38.4-171.2 -61.3 141.0 9.2 -6.7 -17.4 7 31 E I E -A 14 0A 0 7,-2.3 7,-2.6 -2,-0.0 2,-0.5 -0.991 10.7-150.5-130.8 143.0 11.5 -9.7 -17.9 8 32 E Y E -AB 13 42A 41 34,-2.9 34,-3.1 -2,-0.4 5,-0.2 -0.937 12.5-174.3-121.6 133.5 14.2 -9.6 -20.5 9 33 E S - 0 0 5 3,-2.5 32,-0.1 -2,-0.5 29,-0.1 -0.321 50.9 -89.0 -99.2-179.0 15.8 -12.4 -22.5 10 34 E S S S+ 0 0 90 30,-0.3 3,-0.1 1,-0.2 28,-0.1 0.622 127.2 34.2 -62.8 -18.8 18.8 -12.0 -24.9 11 39 E T S S- 0 0 122 1,-0.2 2,-0.3 26,-0.1 -1,-0.2 0.535 124.1 -34.0-112.5 -18.5 16.4 -11.2 -27.7 12 40 E G - 0 0 26 22,-0.1 -3,-2.5 127,-0.0 2,-0.4 -0.911 61.8 -71.2-179.3-165.1 13.4 -9.3 -26.2 13 41 E R E +A 8 0A 90 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.985 34.6 160.1-128.7 139.7 11.0 -8.6 -23.4 14 42 E a E -A 7 0A 15 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.4 -0.551 38.0 -97.7-132.5-164.9 8.0 -10.4 -21.9 15 43 E S E -A 6 0A 0 126,-2.6 16,-0.4 -9,-0.2 -9,-0.2 -0.965 26.8-113.3-123.6 147.0 6.2 -10.1 -18.6 16 44 E L - 0 0 0 -11,-2.8 -12,-2.8 -2,-0.4 14,-0.2 -0.484 27.5-165.2 -72.4 138.6 6.5 -12.1 -15.4 17 45 E G - 0 0 0 12,-2.8 2,-0.4 1,-0.3 13,-0.2 0.899 57.1 -25.7 -86.6 -85.1 3.2 -14.1 -14.7 18 46 E F E -C 29 0A 0 11,-0.5 11,-2.5 -15,-0.1 -1,-0.3 -0.995 54.8-120.3-130.2 150.9 3.3 -15.2 -11.2 19 47 E N E -C 28 0A 3 -2,-0.4 166,-2.1 58,-0.3 2,-0.3 -0.686 42.2-179.0 -86.3 140.6 5.9 -16.0 -8.6 20 48 E V E -CD 27 184A 0 7,-2.5 7,-2.4 -2,-0.3 2,-0.3 -0.899 13.2-154.2-139.7 158.1 5.6 -19.6 -7.5 21 48AE R E -CD 26 183A 94 162,-2.1 162,-2.4 -2,-0.3 2,-0.4 -0.989 18.7-166.3-137.3 153.8 7.2 -22.0 -5.0 22 48BE S E > S-C 25 0A 53 3,-2.0 3,-2.4 -2,-0.3 160,-0.1 -0.972 81.3 -51.3-129.6 113.2 7.9 -25.7 -4.4 23 48CE G T 3 S- 0 0 54 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 -0.350 123.3 -18.0 56.5-120.0 9.0 -25.8 -0.7 24 48DE S T 3 S+ 0 0 104 -3,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.294 114.8 104.7 -95.2 4.7 11.8 -23.3 -0.3 25 49 E T E < -C 22 0A 53 -3,-2.4 -3,-2.0 43,-0.0 2,-0.3 -0.810 57.6-152.5 -99.2 130.8 12.5 -23.0 -4.0 26 50 E Y E +C 21 0A 85 -2,-0.5 43,-1.7 -5,-0.2 2,-0.3 -0.796 23.4 153.4-103.4 142.0 11.3 -20.0 -5.9 27 51 E Y E -CE 20 68A 40 -7,-2.4 -7,-2.5 -2,-0.3 2,-0.4 -0.886 28.9-132.9-145.0 174.7 10.4 -19.7 -9.6 28 52 E F E -CE 19 67A 0 39,-2.3 39,-2.6 -2,-0.3 2,-0.3 -0.986 13.2-136.1-135.2 151.6 8.2 -17.6 -11.9 29 53 E L E +CE 18 66A 0 -11,-2.5 -12,-2.8 -2,-0.4 -11,-0.5 -0.749 31.8 154.7 -93.6 149.0 5.8 -18.6 -14.6 30 54 E T E - E 0 65A 0 35,-2.0 35,-1.9 -2,-0.3 2,-0.2 -0.826 49.7 -52.6-149.2-168.1 5.6 -16.8 -17.9 31 55 E A >> - 0 0 0 -16,-0.4 4,-2.0 -2,-0.3 3,-1.1 -0.522 37.9-134.5 -75.9 141.1 4.4 -17.7 -21.5 32 56 E G H 3> S+ 0 0 0 26,-0.4 4,-2.3 1,-0.2 27,-0.2 0.813 106.4 61.0 -60.4 -31.2 5.8 -20.7 -23.2 33 57 E H H 34 S+ 0 0 24 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.598 107.5 47.9 -75.2 -11.6 6.4 -18.7 -26.4 34 58 E a H <4 S+ 0 0 10 -3,-1.1 3,-0.5 2,-0.1 -2,-0.2 0.806 114.3 42.4 -86.5 -47.9 8.7 -16.6 -24.3 35 59 E T H >< S+ 0 0 4 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.768 97.4 78.3 -69.2 -19.0 10.6 -19.4 -22.6 36 60 E D T 3< S+ 0 0 104 -4,-2.3 -1,-0.2 1,-0.3 -3,-0.1 0.850 107.6 26.4 -58.9 -46.0 10.9 -21.4 -25.9 37 62 E G T 3 S+ 0 0 61 -3,-0.5 2,-0.4 -4,-0.3 -1,-0.3 0.071 113.0 73.2-104.0 27.2 13.7 -19.3 -27.2 38 63 E A < + 0 0 6 -3,-1.4 16,-0.2 1,-0.1 -1,-0.1 -0.919 38.8 173.2-148.4 123.5 15.3 -18.0 -24.0 39 64 E T S S+ 0 0 104 -2,-0.4 15,-2.8 1,-0.1 2,-0.3 0.906 72.6 43.7 -89.9 -51.6 17.5 -19.7 -21.4 40 65 E T E - F 0 53A 41 13,-0.2 2,-0.4 27,-0.1 -30,-0.3 -0.820 67.3-159.6-100.5 145.5 18.6 -16.7 -19.1 41 66 E W E - F 0 52A 2 11,-2.5 10,-3.6 -2,-0.3 11,-1.3 -0.970 3.6-164.5-125.3 146.3 16.3 -14.0 -17.9 42 67 E W E -BF 8 50A 47 -34,-3.1 -34,-2.9 -2,-0.4 8,-0.2 -0.819 22.4-140.0-124.4 155.9 17.2 -10.6 -16.6 43 68 E A S S+ 0 0 29 6,-2.8 2,-0.3 -2,-0.3 7,-0.1 0.619 84.2 53.7 -88.2 -10.6 15.2 -7.9 -14.7 44 78 E N S > S- 0 0 43 5,-0.5 3,-2.0 -36,-0.1 5,-0.1 -0.867 79.7-123.2-133.3 151.5 16.6 -4.9 -16.6 45 79 E S T 3 S+ 0 0 81 -2,-0.3 -1,-0.1 1,-0.3 -38,-0.0 0.775 110.9 64.7 -64.8 -22.8 16.9 -3.8 -20.2 46 80 E A T 3 S- 0 0 66 1,-0.0 -1,-0.3 -38,-0.0 -3,-0.0 0.579 105.1-130.7 -70.6 -12.4 20.7 -3.6 -19.7 47 81 E R S < S+ 0 0 78 -3,-2.0 -2,-0.1 2,-0.1 3,-0.1 0.927 76.4 109.5 58.2 51.0 20.8 -7.4 -19.2 48 82 E T + 0 0 104 1,-0.2 2,-0.8 -4,-0.1 -1,-0.1 0.509 54.2 70.4-129.6 -8.1 22.9 -7.2 -16.0 49 83 E T S S- 0 0 57 -5,-0.1 -6,-2.8 22,-0.0 -5,-0.5 -0.900 79.1-149.5-109.4 101.1 20.5 -8.1 -13.1 50 84 E V E -F 42 0A 55 -2,-0.8 -8,-0.3 -8,-0.2 3,-0.1 -0.488 20.5-177.5 -72.8 140.4 20.0 -11.9 -13.7 51 85 E L E - 0 0 0 -10,-3.6 19,-2.2 1,-0.4 20,-1.7 0.862 49.4 -84.2 -95.3 -53.0 16.8 -13.4 -12.6 52 86 E G E -FG 41 69A 0 -11,-1.3 -11,-2.5 17,-0.3 -1,-0.4 -0.956 43.1 -65.8 170.5-165.0 17.3 -17.0 -13.4 53 87 E T E -FG 40 68A 54 15,-1.6 15,-2.7 -2,-0.3 -13,-0.2 -0.958 43.7-105.0-124.7 134.9 17.1 -19.8 -16.0 54 88 E T E + G 0 67A 36 -15,-2.8 13,-0.3 -2,-0.4 3,-0.1 -0.317 35.3 172.9 -54.8 130.1 14.3 -21.4 -17.9 55 89 E S E + 0 0 70 11,-2.7 2,-0.3 1,-0.4 12,-0.2 0.562 63.2 15.4-116.3 -8.6 13.5 -24.8 -16.6 56 90 E G E - G 0 66A 14 10,-1.5 10,-2.3 2,-0.0 -1,-0.4 -0.977 57.1-178.8-162.5 143.1 10.4 -25.8 -18.5 57 91 E S E - G 0 65A 49 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.957 5.9-177.0-149.8 137.1 8.6 -24.6 -21.6 58 93 E S E + G 0 64A 27 6,-2.9 6,-2.2 -2,-0.3 -26,-0.4 -0.873 22.5 164.1-139.5 100.9 5.4 -25.7 -23.3 59 94 E F + 0 0 21 -2,-0.4 2,-0.2 -27,-0.2 4,-0.1 -0.864 46.8 25.2-167.6 129.6 4.5 -24.0 -26.5 60 99AE P S S+ 0 0 35 0, 0.0 2,-2.2 0, 0.0 66,-0.2 0.510 122.1 33.4 -88.7-156.2 2.7 -24.4 -28.9 61 100 E N B S+h 126 0B 84 64,-2.9 66,-2.7 -2,-0.2 2,-0.2 -0.435 136.6 23.6 78.0 -58.2 -0.4 -26.6 -27.9 62 101 E N S S- 0 0 53 -2,-2.2 66,-0.1 64,-0.2 67,-0.0 -0.567 77.8-143.0-109.6 178.1 -0.1 -25.0 -24.5 63 102 E D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.1 108,-0.3 -0.438 55.2 105.4-144.6 78.4 1.5 -21.6 -23.8 64 103 E Y E + G 0 58A 25 -6,-2.2 -6,-2.9 -33,-0.3 2,-0.3 -0.974 32.1 168.0-149.0 157.0 3.3 -21.8 -20.4 65 104 E G E -EG 30 57A 0 -35,-1.9 -35,-2.0 -2,-0.3 2,-0.3 -0.970 19.7-134.4-158.6 173.5 6.8 -21.9 -19.1 66 105 E I E -EG 29 56A 5 -10,-2.3 -11,-2.7 -2,-0.3 -10,-1.5 -0.974 5.6-162.7-144.4 141.1 8.8 -21.7 -15.9 67 106 E V E -EG 28 54A 0 -39,-2.6 -39,-2.3 -2,-0.3 2,-0.5 -0.991 17.1-140.6-123.9 125.1 12.0 -19.9 -14.8 68 107 E R E -EG 27 53A 107 -15,-2.7 -15,-1.6 -2,-0.4 -41,-0.2 -0.712 26.1-119.0 -90.1 131.6 13.9 -20.9 -11.6 69 108 E Y E + G 0 52A 13 -43,-1.7 -17,-0.3 -2,-0.5 -43,-0.2 -0.480 34.8 171.4 -63.0 133.1 15.3 -18.0 -9.8 70 109 E T + 0 0 61 -19,-2.2 2,-0.8 -2,-0.2 -18,-0.2 0.494 60.2 90.2-112.6 -11.5 19.1 -18.0 -9.3 71 110 E N - 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