==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-NOV-06 2NU1 . COMPND 2 MOLECULE: STREPTOGRISIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR K.S.BATEMAN,S.ANDERSON,W.LU,M.A.QASIM,K.HUANG,M.LASKOWSKI . 236 2 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9729.0 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 . 15 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.4 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,-1.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 143.4 -8.6 23.9 21.5 2 17 E S > - 0 0 7 74,-0.1 3,-2.0 76,-0.1 14,-0.3 -0.855 360.0 -50.7-143.0 178.1 -7.8 26.8 23.8 3 18 E G B 3 S+a 80 0A 0 76,-2.5 78,-0.8 74,-0.3 14,-0.2 -0.264 120.9 25.3 -55.2 132.6 -5.2 28.5 25.9 4 19 E G T 3 S+ 0 0 1 12,-2.9 -1,-0.2 1,-0.3 101,-0.2 0.118 90.5 128.3 99.0 -20.1 -3.6 26.2 28.4 5 29 E D < - 0 0 45 -3,-2.0 11,-2.8 1,-0.1 -1,-0.3 -0.294 66.6 -93.9 -68.8 153.8 -4.3 23.0 26.4 6 30 E A E -C 15 0B 23 9,-0.2 2,-0.4 96,-0.1 9,-0.2 -0.377 38.6-171.9 -68.7 146.0 -1.5 20.5 25.6 7 31 E I E -C 14 0B 0 7,-2.1 7,-2.5 -2,-0.1 2,-0.4 -0.993 7.8-151.8-137.5 140.5 0.4 20.7 22.4 8 32 E Y E -CD 13 42B 42 34,-2.6 34,-3.0 -2,-0.4 5,-0.2 -0.954 12.6-179.6-121.6 136.7 2.9 18.2 21.1 9 33 E S - 0 0 2 3,-2.3 32,-0.1 -2,-0.4 29,-0.1 -0.359 52.5 -88.5-110.3-167.2 5.9 18.5 18.9 10 34 E S S S+ 0 0 81 30,-0.3 3,-0.1 1,-0.2 31,-0.1 0.686 126.6 43.1 -79.8 -17.2 8.3 15.7 17.8 11 39 E T S S- 0 0 70 1,-0.2 2,-0.3 23,-0.1 -1,-0.2 0.671 122.1 -53.7-101.9 -23.9 10.3 16.3 20.9 12 40 E G - 0 0 10 22,-0.1 -3,-2.3 190,-0.1 2,-0.4 -0.960 61.6 -59.5 176.4-156.8 7.9 16.8 23.8 13 41 E R E +CE 8 201B 32 188,-1.8 188,-2.4 -2,-0.3 -5,-0.2 -0.957 40.0 157.0-126.4 140.8 4.9 18.6 25.2 14 42 E a E -C 7 0B 2 -7,-2.5 -7,-2.1 -2,-0.4 2,-0.4 -0.602 38.9 -97.6-134.9-164.8 4.2 22.3 26.0 15 43 E S E -C 6 0B 0 126,-2.8 16,-0.4 -9,-0.2 -9,-0.2 -0.952 29.0-109.9-125.6 151.5 1.0 24.3 26.3 16 44 E L - 0 0 0 -11,-2.8 -12,-2.9 -2,-0.4 14,-0.2 -0.511 28.1-163.6 -74.0 137.9 -0.9 26.5 23.9 17 45 E G - 0 0 0 12,-3.0 2,-0.3 1,-0.3 13,-0.2 0.903 58.0 -26.1 -85.9 -80.5 -0.6 30.2 24.9 18 46 E F E -F 29 0B 4 11,-0.5 11,-2.5 -15,-0.1 2,-0.4 -0.989 54.4-121.8-138.3 147.0 -3.3 32.2 23.1 19 47 E N E +F 28 0B 4 -2,-0.3 166,-0.6 58,-0.3 2,-0.3 -0.699 44.6 169.9 -84.5 133.7 -5.1 31.8 19.8 20 48 E V E -FG 27 184B 0 7,-2.6 7,-2.6 -2,-0.4 2,-0.3 -0.886 14.4-159.9-140.3 170.9 -4.5 34.8 17.7 21 48AE R E -FG 26 183B 92 162,-2.1 162,-2.1 -2,-0.3 2,-0.4 -0.989 17.4-154.8-154.7 163.8 -5.1 36.0 14.2 22 48BE S E > S-F 25 0B 53 3,-2.4 3,-3.2 -2,-0.3 2,-0.3 -0.975 78.0 -41.2-140.7 119.8 -4.1 38.3 11.4 23 48CE G T 3 S- 0 0 74 -2,-0.4 159,-0.0 1,-0.3 0, 0.0 -0.412 126.0 -28.4 60.4-118.2 -6.8 39.0 8.8 24 48DE S T 3 S+ 0 0 107 -2,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.109 115.4 107.9-113.5 17.3 -8.3 35.6 8.2 25 49 E T E < -F 22 0B 58 -3,-3.2 -3,-2.4 43,-0.0 2,-0.3 -0.884 55.9-154.4-101.6 122.4 -5.1 33.7 9.1 26 50 E Y E +F 21 0B 79 -2,-0.6 43,-2.0 -5,-0.2 2,-0.3 -0.744 21.8 156.8 -98.9 142.0 -5.2 31.9 12.5 27 51 E Y E -FH 20 68B 47 -7,-2.6 -7,-2.6 -2,-0.3 2,-0.3 -0.880 28.2-132.6-143.5 179.2 -2.1 31.0 14.6 28 52 E F E -FH 19 67B 0 39,-1.9 39,-2.6 -2,-0.3 2,-0.3 -0.984 15.0-135.4-139.4 146.7 -1.3 30.3 18.2 29 53 E L E +FH 18 66B 0 -11,-2.5 -12,-3.0 -2,-0.3 -11,-0.5 -0.756 32.6 151.2 -98.4 152.3 1.4 31.6 20.4 30 54 E T E - H 0 65B 0 35,-1.9 35,-1.9 -2,-0.3 112,-0.2 -0.847 51.3 -48.6-157.5-171.7 3.5 29.5 22.7 31 55 E A >> - 0 0 0 -16,-0.4 4,-1.6 -2,-0.2 3,-0.7 -0.475 38.8-135.7 -73.3 144.6 7.0 29.5 24.2 32 56 E G H 3> S+ 0 0 0 26,-0.3 4,-1.9 1,-0.2 27,-0.2 0.857 106.5 59.0 -64.3 -37.6 10.0 30.2 21.9 33 57 E H H 34 S+ 0 0 12 1,-0.2 -1,-0.2 2,-0.2 26,-0.1 0.748 107.3 48.8 -67.6 -17.2 11.9 27.3 23.6 34 58 E a H <4 S+ 0 0 2 -3,-0.7 -1,-0.2 1,-0.1 -2,-0.2 0.851 113.1 44.4 -85.7 -38.6 9.1 25.0 22.6 35 59 E T H >< S+ 0 0 2 -4,-1.6 3,-2.2 2,-0.1 2,-0.3 0.697 87.1 108.6 -78.0 -19.7 9.0 26.2 18.9 36 60 E D T 3< S- 0 0 102 -4,-1.9 3,-0.1 1,-0.3 29,-0.0 -0.426 99.2 -3.1 -62.5 116.6 12.8 26.1 18.6 37 62 E G T 3 S+ 0 0 73 -2,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.569 107.9 119.1 77.1 8.2 13.7 23.2 16.4 38 63 E A < + 0 0 8 -3,-2.2 -1,-0.3 1,-0.2 3,-0.1 -0.862 30.2 168.5-105.8 141.6 10.0 22.1 16.1 39 64 E T + 0 0 96 -2,-0.4 15,-2.6 1,-0.3 2,-0.3 0.753 63.1 37.7-112.6 -61.1 8.2 22.0 12.8 40 65 E T E - I 0 53B 40 13,-0.2 2,-0.4 27,-0.0 -1,-0.3 -0.734 63.2-159.4-100.6 145.7 4.9 20.2 13.2 41 66 E W E - I 0 52B 0 11,-2.4 10,-3.0 -2,-0.3 11,-1.1 -0.973 5.5-166.5-123.9 137.6 2.5 20.4 16.1 42 67 E W E -DI 8 50B 52 -34,-3.0 -34,-2.6 -2,-0.4 8,-0.2 -0.854 24.9-136.0-119.5 157.8 -0.2 17.9 17.1 43 68 E A S S+ 0 0 30 6,-3.1 2,-0.3 -2,-0.3 7,-0.1 0.595 87.1 42.8 -85.6 -13.5 -3.2 18.1 19.6 44 78 E N S > S- 0 0 45 5,-0.5 3,-1.4 -36,-0.1 5,-0.1 -0.928 79.6-118.6-136.1 159.8 -2.5 14.6 21.0 45 79 E S T 3 S+ 0 0 76 -2,-0.3 -1,-0.1 1,-0.3 -38,-0.0 0.767 114.4 60.8 -64.1 -26.6 0.3 12.4 22.2 46 80 E A T 3 S- 0 0 67 1,-0.0 -1,-0.3 -3,-0.0 -3,-0.0 0.653 104.4-134.9 -73.4 -17.1 -0.6 9.8 19.5 47 81 E R < + 0 0 83 -3,-1.4 -2,-0.1 2,-0.1 3,-0.1 0.907 68.5 122.9 63.9 43.1 0.1 12.6 17.0 48 82 E T + 0 0 103 1,-0.2 2,-0.6 2,-0.0 -1,-0.1 0.617 58.8 61.9-107.6 -17.1 -3.0 11.8 15.0 49 83 E T S S- 0 0 55 -5,-0.1 -6,-3.1 22,-0.0 -5,-0.5 -0.918 75.9-152.0-114.4 108.1 -4.5 15.3 15.1 50 84 E V E -I 42 0B 55 -2,-0.6 -8,-0.3 -8,-0.2 3,-0.1 -0.464 17.6-179.9 -76.7 150.4 -2.5 17.9 13.5 51 85 E L E - 0 0 0 -10,-3.0 19,-2.8 1,-0.4 20,-2.1 0.736 50.5 -82.8-110.7 -58.1 -2.6 21.5 14.5 52 86 E G E -IJ 41 69B 0 -11,-1.1 -11,-2.4 17,-0.3 -1,-0.4 -0.951 43.8 -69.0 177.6-160.1 -0.2 23.3 12.3 53 87 E T E -IJ 40 68B 41 15,-1.8 15,-2.7 -2,-0.3 -13,-0.2 -0.955 46.9 -96.0-127.8 145.6 3.4 24.3 11.6 54 88 E T E + J 0 67B 34 -15,-2.6 13,-0.3 -2,-0.4 3,-0.1 -0.292 36.7 175.6 -57.5 128.9 5.9 26.6 13.3 55 89 E S E + 0 0 60 11,-3.0 2,-0.3 1,-0.4 12,-0.2 0.512 64.9 3.7-112.0 -15.1 6.0 30.0 11.6 56 90 E G E - J 0 66B 16 10,-1.5 10,-2.2 -24,-0.0 -1,-0.4 -0.951 55.7-170.5-168.7 151.3 8.3 31.9 13.9 57 91 E S E - J 0 65B 52 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.967 3.4-176.2-153.1 132.1 10.5 31.3 16.9 58 93 E S E + J 0 64B 26 6,-2.9 6,-1.9 -2,-0.3 -26,-0.3 -0.881 23.9 161.3-135.0 101.7 12.4 33.7 19.2 59 94 E F + 0 0 32 -2,-0.4 2,-0.2 4,-0.2 4,-0.1 -0.837 45.7 27.0-171.5 138.4 14.6 32.2 21.9 60 99AE P S S+ 0 0 34 0, 0.0 2,-2.2 0, 0.0 66,-0.2 0.493 122.1 32.5 -78.6-155.2 16.8 32.8 23.7 61 100 E N B S+k 126 0C 95 64,-2.5 66,-2.6 -2,-0.2 2,-0.2 -0.431 134.8 24.7 80.0 -60.2 16.8 36.6 24.4 62 101 E N S S- 0 0 46 -2,-2.2 66,-0.1 64,-0.2 67,-0.0 -0.597 78.8-141.4-112.6-176.2 13.0 36.6 24.1 63 102 E D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.1 108,-0.2 -0.440 54.7 104.0-148.8 68.9 10.8 33.6 24.7 64 103 E Y E + J 0 58B 20 -6,-1.9 -6,-2.9 -33,-0.3 2,-0.3 -0.977 33.6 177.0-144.2 157.7 7.9 33.4 22.2 65 104 E G E -HJ 30 57B 0 -35,-1.9 -35,-1.9 -2,-0.3 2,-0.4 -0.968 16.0-142.2-153.5 160.0 7.0 31.4 19.1 66 105 E I E -HJ 29 56B 4 -10,-2.2 -11,-3.0 -2,-0.3 -10,-1.5 -0.990 6.3-159.9-135.7 141.3 4.1 31.3 16.7 67 106 E V E -HJ 28 54B 0 -39,-2.6 -39,-1.9 -2,-0.4 2,-0.5 -0.980 15.3-137.1-123.9 127.5 2.4 28.3 15.0 68 107 E R E -HJ 27 53B 98 -15,-2.7 -15,-1.8 -2,-0.4 -41,-0.2 -0.712 25.0-120.8 -87.6 128.6 0.2 28.6 11.9 69 108 E Y E + J 0 52B 21 -43,-2.0 -17,-0.3 -2,-0.5 -43,-0.2 -0.466 36.7 166.8 -68.8 133.9 -2.9 26.5 12.0 70 109 E T + 0 0 64 -19,-2.8 2,-0.6 -2,-0.2 -18,-0.2 0.468 53.9 95.5-118.5 -14.9 -3.2 24.0 9.1 71 110 E N - 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