==== 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 2NU4 . COMPND 2 MOLECULE: STREPTOGRISIN B, PROTEINASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR K.S.BATEMAN,S.ANDERSON,W.LU,M.A.QASIM,M.LASKOWSKI JR., . 236 2 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9774.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 64.0 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 . 14 5.9 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,-1.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 140.4 -8.8 23.8 21.3 2 17 E S > - 0 0 8 74,-0.1 3,-2.0 76,-0.1 14,-0.3 -0.832 360.0 -57.2-136.8 173.9 -8.1 26.7 23.7 3 18 E G B 3 S+a 80 0A 0 76,-2.5 78,-0.7 74,-0.3 14,-0.2 -0.274 120.1 25.0 -54.0 132.1 -5.4 28.4 25.7 4 19 E G T 3 S+ 0 0 1 12,-3.1 -1,-0.2 1,-0.4 101,-0.2 0.162 90.2 127.1 99.1 -18.1 -3.7 26.0 28.2 5 29 E D < - 0 0 47 -3,-2.0 11,-2.8 1,-0.1 -1,-0.4 -0.362 67.6 -91.0 -71.4 155.3 -4.5 22.8 26.3 6 30 E A E -C 15 0B 24 9,-0.2 2,-0.4 96,-0.2 9,-0.2 -0.330 38.4-171.3 -66.8 145.6 -1.7 20.4 25.4 7 31 E I E -C 14 0B 0 7,-2.3 7,-2.8 -2,-0.1 2,-0.5 -0.995 8.5-151.1-135.9 138.6 0.3 20.6 22.2 8 32 E Y E -CD 13 42B 45 34,-2.8 34,-3.1 -2,-0.4 5,-0.2 -0.942 12.7-179.4-118.6 135.9 2.8 18.0 21.0 9 33 E S - 0 0 2 3,-2.7 32,-0.1 -2,-0.5 29,-0.1 -0.272 51.3 -90.5-108.1-163.4 5.8 18.5 18.8 10 34 E S S S+ 0 0 84 30,-0.2 3,-0.1 -2,-0.1 31,-0.1 0.739 126.5 42.1 -83.7 -21.4 8.1 15.8 17.7 11 39 E T S S- 0 0 74 1,-0.2 2,-0.3 23,-0.2 -1,-0.1 0.765 122.9 -48.3 -95.4 -34.4 10.2 16.4 20.7 12 40 E G - 0 0 13 22,-0.1 -3,-2.7 190,-0.1 2,-0.4 -0.924 61.7 -65.1-174.9-160.1 7.8 16.8 23.6 13 41 E R E +CE 8 201B 31 188,-1.8 188,-2.5 -2,-0.3 -5,-0.2 -0.942 41.3 159.9-121.1 139.6 4.7 18.5 25.0 14 42 E a E -C 7 0B 5 -7,-2.8 -7,-2.3 -2,-0.4 2,-0.4 -0.605 37.6 -97.1-132.1-165.8 4.0 22.1 25.7 15 43 E S E -C 6 0B 0 126,-2.8 16,-0.4 -9,-0.2 -9,-0.2 -0.944 29.5-111.1-123.4 147.9 0.8 24.2 26.2 16 44 E L - 0 0 0 -11,-2.8 -12,-3.1 -2,-0.4 14,-0.2 -0.530 28.1-162.8 -73.1 134.1 -1.1 26.4 23.7 17 45 E G - 0 0 0 12,-2.9 2,-0.3 1,-0.3 13,-0.2 0.926 57.0 -28.8 -81.2 -82.9 -0.8 30.1 24.7 18 46 E F E -F 29 0B 4 11,-0.5 11,-2.6 -15,-0.1 2,-0.3 -0.995 54.9-120.1-138.7 146.0 -3.4 32.1 23.0 19 47 E N E +F 28 0B 4 58,-0.3 166,-0.6 -2,-0.3 2,-0.3 -0.667 44.7 174.0 -82.0 131.6 -5.3 31.7 19.7 20 48 E V E -FG 27 184B 0 7,-3.0 7,-2.6 -2,-0.3 2,-0.3 -0.880 14.0-155.5-135.5 169.9 -4.6 34.8 17.6 21 48AE R E -FG 26 183B 89 162,-2.3 162,-2.1 -2,-0.3 2,-0.4 -0.991 16.0-161.7-150.7 159.3 -5.3 36.0 14.1 22 48BE S E > S-F 25 0B 50 3,-2.4 3,-3.2 -2,-0.3 2,-0.3 -0.972 76.7 -43.3-139.4 118.4 -4.2 38.3 11.3 23 48CE G T 3 S- 0 0 71 -2,-0.4 159,-0.0 1,-0.3 0, 0.0 -0.405 125.5 -28.3 59.0-116.7 -6.8 39.1 8.6 24 48DE S T 3 S+ 0 0 109 -2,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.197 115.1 108.1-112.8 13.7 -8.3 35.6 8.0 25 49 E T E < -F 22 0B 55 -3,-3.2 -3,-2.4 43,-0.0 2,-0.4 -0.847 56.1-153.3 -97.6 123.2 -5.2 33.7 9.0 26 50 E Y E +F 21 0B 75 -2,-0.6 43,-2.0 -5,-0.2 2,-0.3 -0.788 22.3 158.6 -99.7 137.7 -5.4 31.8 12.3 27 51 E Y E -FH 20 68B 49 -7,-2.6 -7,-3.0 -2,-0.4 2,-0.4 -0.888 27.8-133.9-139.8 175.5 -2.4 31.0 14.5 28 52 E F E -FH 19 67B 0 39,-2.0 39,-2.4 -2,-0.3 2,-0.3 -0.984 15.2-135.6-136.4 145.0 -1.5 30.2 18.1 29 53 E L E +FH 18 66B 0 -11,-2.6 -12,-2.9 -2,-0.4 -11,-0.5 -0.774 32.0 153.2 -95.7 148.1 1.2 31.5 20.3 30 54 E T E - H 0 65B 0 35,-2.1 35,-2.0 -2,-0.3 2,-0.2 -0.838 50.7 -52.6-152.1-172.8 3.4 29.4 22.5 31 55 E A >> - 0 0 0 -16,-0.4 4,-1.6 -2,-0.3 3,-0.9 -0.470 39.0-134.6 -71.8 142.0 6.8 29.5 24.1 32 56 E G H 3> S+ 0 0 0 26,-0.3 4,-1.9 1,-0.2 27,-0.2 0.855 106.4 60.2 -61.2 -39.6 9.8 30.1 21.8 33 57 E H H 34 S+ 0 0 18 1,-0.2 -1,-0.2 2,-0.2 26,-0.1 0.751 107.0 48.0 -65.0 -17.8 11.8 27.3 23.5 34 58 E a H <4 S+ 0 0 5 -3,-0.9 -1,-0.2 1,-0.1 -2,-0.2 0.829 113.5 45.0 -86.2 -37.9 8.9 24.9 22.4 35 59 E T H >< S+ 0 0 2 -4,-1.6 3,-2.1 2,-0.1 2,-0.3 0.691 87.0 108.7 -78.5 -19.0 8.8 26.2 18.8 36 60 E D T 3< S- 0 0 101 -4,-1.9 3,-0.1 1,-0.3 29,-0.0 -0.421 99.9 -4.8 -62.2 117.9 12.6 26.1 18.5 37 62 E G T 3 S+ 0 0 71 -2,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.589 108.2 120.7 73.6 8.9 13.5 23.1 16.2 38 63 E A < + 0 0 7 -3,-2.1 -1,-0.2 1,-0.2 3,-0.1 -0.850 30.6 169.8-104.3 142.2 9.8 22.1 16.0 39 64 E T + 0 0 92 -2,-0.4 15,-2.6 1,-0.4 2,-0.3 0.764 61.7 33.5-112.4 -62.5 8.0 21.9 12.7 40 65 E T E - I 0 53B 47 13,-0.2 2,-0.4 27,-0.0 -1,-0.4 -0.731 64.6-156.1-101.5 147.2 4.7 20.2 13.0 41 66 E W E - I 0 52B 0 11,-2.5 10,-3.4 -2,-0.3 11,-1.1 -0.974 6.1-164.2-123.7 138.3 2.3 20.3 16.0 42 67 E W E -DI 8 50B 52 -34,-3.1 -34,-2.8 -2,-0.4 8,-0.2 -0.838 24.3-136.7-119.3 158.4 -0.3 17.8 17.0 43 68 E A S S+ 0 0 29 6,-2.8 2,-0.3 -2,-0.3 7,-0.1 0.567 86.4 39.9 -85.4 -12.8 -3.3 18.0 19.4 44 78 E N S > S- 0 0 45 5,-0.5 3,-1.7 -36,-0.1 5,-0.1 -0.938 79.5-116.0-139.4 161.3 -2.7 14.5 20.9 45 79 E S T 3 S+ 0 0 75 -2,-0.3 -1,-0.1 1,-0.3 -38,-0.0 0.791 115.0 60.6 -63.6 -27.9 0.1 12.2 22.0 46 80 E A T 3 S- 0 0 67 1,-0.0 -1,-0.3 -3,-0.0 -3,-0.0 0.556 103.9-133.9 -76.8 -8.2 -0.8 9.8 19.3 47 81 E R < + 0 0 87 -3,-1.7 -2,-0.1 2,-0.1 3,-0.1 0.869 68.8 123.3 58.0 39.6 -0.1 12.5 16.7 48 82 E T + 0 0 101 1,-0.2 2,-0.6 2,-0.0 -1,-0.1 0.695 58.3 60.4-102.1 -21.4 -3.2 11.8 14.8 49 83 E T S S- 0 0 54 -5,-0.1 -6,-2.8 22,-0.0 -5,-0.5 -0.926 76.6-150.9-110.4 110.0 -4.8 15.3 14.9 50 84 E V E -I 42 0B 58 -2,-0.6 -8,-0.3 -8,-0.2 3,-0.1 -0.590 16.8-179.1 -79.9 143.6 -2.6 17.8 13.2 51 85 E L E - 0 0 0 -10,-3.4 19,-2.7 1,-0.4 20,-2.0 0.811 49.3 -83.2-103.8 -57.8 -2.8 21.4 14.4 52 86 E G E -IJ 41 69B 1 -11,-1.1 -11,-2.5 17,-0.3 2,-0.4 -0.956 43.1 -70.2 178.4-160.3 -0.3 23.3 12.2 53 87 E T E -IJ 40 68B 40 15,-1.9 15,-2.9 -2,-0.3 -13,-0.2 -0.965 46.2 -97.2-129.0 143.2 3.3 24.2 11.5 54 88 E T E + J 0 67B 30 -15,-2.6 13,-0.3 -2,-0.4 3,-0.1 -0.277 36.0 175.7 -55.3 128.1 5.7 26.6 13.2 55 89 E S E + 0 0 61 11,-2.9 2,-0.3 1,-0.4 12,-0.2 0.542 65.4 4.9-110.8 -15.9 5.8 30.0 11.5 56 90 E G E - J 0 66B 16 10,-1.5 10,-2.2 -24,-0.0 -1,-0.4 -0.966 55.4-170.5-166.7 152.9 8.2 31.8 13.8 57 91 E S E - J 0 65B 53 -2,-0.3 2,-0.4 8,-0.3 8,-0.3 -0.946 2.8-176.4-154.9 127.8 10.3 31.3 16.8 58 93 E S E + J 0 64B 28 6,-3.1 6,-1.9 -2,-0.3 -26,-0.3 -0.864 24.3 160.9-131.2 100.3 12.2 33.6 19.1 59 94 E F + 0 0 32 -2,-0.4 2,-0.2 -27,-0.2 4,-0.1 -0.870 45.1 27.5-170.0 139.7 14.4 32.1 21.9 60 99AE P S S+ 0 0 33 0, 0.0 2,-2.3 0, 0.0 66,-0.2 0.494 121.7 32.2 -78.7-152.7 16.6 32.8 23.6 61 100 E N B S+k 126 0C 98 64,-2.4 66,-2.8 -2,-0.2 2,-0.2 -0.434 135.0 25.5 78.2 -61.4 16.6 36.6 24.4 62 101 E N S S- 0 0 55 -2,-2.3 66,-0.1 64,-0.2 67,-0.0 -0.579 79.6-141.1-110.8-177.3 12.9 36.5 24.0 63 102 E D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.1 108,-0.2 -0.477 55.2 103.0-147.3 71.2 10.6 33.5 24.6 64 103 E Y E + J 0 58B 24 -6,-1.9 -6,-3.1 -33,-0.3 2,-0.3 -0.985 33.3 175.5-149.2 154.4 7.8 33.3 22.1 65 104 E G E -HJ 30 57B 0 -35,-2.0 -35,-2.1 -2,-0.3 2,-0.4 -0.953 16.6-142.1-151.9 162.8 6.9 31.4 18.9 66 105 E I E -HJ 29 56B 5 -10,-2.2 -11,-2.9 -2,-0.3 -10,-1.5 -0.993 6.0-158.9-138.6 141.5 3.9 31.2 16.6 67 106 E V E -HJ 28 54B 0 -39,-2.4 -39,-2.0 -2,-0.4 2,-0.5 -0.977 15.7-135.6-123.6 131.3 2.3 28.3 14.8 68 107 E R E -HJ 27 53B 101 -15,-2.9 -15,-1.9 -2,-0.4 -41,-0.2 -0.745 25.5-122.2 -90.3 123.6 0.1 28.6 11.8 69 108 E Y E + J 0 52B 19 -43,-2.0 -17,-0.3 -2,-0.5 -43,-0.2 -0.436 35.3 168.7 -64.0 135.2 -3.0 26.4 11.9 70 109 E T + 0 0 64 -19,-2.7 2,-0.7 -2,-0.1 -18,-0.2 0.455 52.1 98.0-119.9 -14.1 -3.3 24.0 9.0 71 110 E N - 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