==== 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 2NU3 . COMPND 2 MOLECULE: STREPTOGRISIN B, PROTEINASE 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) . 9767.0 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 26 0, 0.0 76,-1.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 146.4 -8.7 23.8 21.4 2 17 E S > - 0 0 8 74,-0.1 3,-2.0 76,-0.1 14,-0.3 -0.850 360.0 -49.7-141.1-179.8 -8.0 26.8 23.6 3 18 E G B 3 S+a 80 0A 0 76,-2.8 78,-0.7 74,-0.3 14,-0.2 -0.280 120.7 24.9 -56.5 130.0 -5.3 28.5 25.8 4 19 E G T 3 S+ 0 0 1 12,-3.0 -1,-0.2 1,-0.4 101,-0.2 0.171 90.3 127.9 102.0 -17.9 -3.7 26.1 28.3 5 29 E D < - 0 0 44 -3,-2.0 11,-3.0 1,-0.1 -1,-0.4 -0.342 66.4 -92.6 -72.7 156.3 -4.4 22.9 26.3 6 30 E A E -C 15 0B 24 9,-0.2 2,-0.4 96,-0.1 9,-0.2 -0.346 38.4-172.2 -68.5 145.8 -1.7 20.4 25.5 7 31 E I E -C 14 0B 0 7,-2.1 7,-2.7 -2,-0.1 2,-0.5 -0.995 8.0-152.2-137.0 140.6 0.3 20.6 22.3 8 32 E Y E -CD 13 42B 41 34,-2.7 34,-2.9 -2,-0.4 5,-0.2 -0.949 12.1-179.4-121.8 134.7 2.8 18.1 21.1 9 33 E S - 0 0 1 3,-2.4 32,-0.1 -2,-0.5 29,-0.1 -0.417 53.1 -87.7-110.7-170.5 5.8 18.5 18.9 10 34 E S S S+ 0 0 83 30,-0.4 3,-0.1 -2,-0.2 31,-0.1 0.772 127.2 42.4 -72.3 -22.9 8.2 15.8 17.7 11 39 E T S S- 0 0 71 1,-0.2 2,-0.2 23,-0.2 -1,-0.2 0.871 121.3 -49.8 -91.4 -45.9 10.2 16.4 20.9 12 40 E G - 0 0 12 22,-0.1 -3,-2.4 190,-0.1 2,-0.4 -0.828 62.1 -62.7-166.0-155.2 7.7 16.8 23.8 13 41 E R E +CE 8 201B 36 188,-1.9 188,-2.4 -2,-0.2 -5,-0.2 -0.952 41.3 159.6-122.0 137.6 4.7 18.5 25.2 14 42 E a E -C 7 0B 5 -7,-2.7 -7,-2.1 -2,-0.4 2,-0.4 -0.569 37.9 -99.5-130.8-165.3 4.0 22.2 25.9 15 43 E S E -C 6 0B 0 126,-2.7 16,-0.4 -9,-0.2 2,-0.2 -0.944 29.6-109.3-124.9 150.3 0.8 24.2 26.2 16 44 E L - 0 0 0 -11,-3.0 -12,-3.0 -2,-0.4 14,-0.2 -0.552 28.7-163.2 -74.8 135.5 -1.0 26.4 23.8 17 45 E G - 0 0 0 12,-2.9 2,-0.3 1,-0.3 13,-0.2 0.928 57.7 -27.7 -83.1 -79.7 -0.7 30.1 24.8 18 46 E F E -F 29 0B 4 11,-0.6 11,-2.4 -15,-0.1 2,-0.4 -0.998 54.6-120.8-139.9 145.8 -3.3 32.0 23.0 19 47 E N E +F 28 0B 4 58,-0.3 166,-0.5 -2,-0.3 2,-0.3 -0.676 44.7 170.4 -82.5 132.5 -5.2 31.6 19.7 20 48 E V E -FG 27 184B 0 7,-2.6 7,-2.8 -2,-0.4 2,-0.3 -0.892 14.6-158.6-138.8 169.5 -4.5 34.7 17.6 21 48AE R E -FG 26 183B 94 162,-2.2 162,-2.0 -2,-0.3 2,-0.4 -0.992 17.7-156.1-152.4 160.8 -5.1 35.8 14.0 22 48BE S E > S-F 25 0B 52 3,-2.8 3,-3.0 -2,-0.3 2,-0.2 -0.973 77.2 -46.0-137.0 115.9 -4.1 38.1 11.2 23 48CE G T 3 S- 0 0 68 -2,-0.4 159,-0.0 1,-0.3 0, 0.0 -0.399 124.9 -24.1 60.1-122.3 -6.7 38.8 8.7 24 48DE S T 3 S+ 0 0 109 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.249 116.4 104.6-102.0 8.3 -8.1 35.3 7.9 25 49 E T E < -F 22 0B 56 -3,-3.0 -3,-2.8 43,-0.0 2,-0.4 -0.847 57.1-155.9 -98.5 124.1 -5.0 33.5 9.0 26 50 E Y E +F 21 0B 75 -2,-0.6 43,-2.2 -5,-0.2 2,-0.3 -0.785 20.3 159.0-101.0 141.4 -5.1 31.8 12.3 27 51 E Y E -FH 20 68B 45 -7,-2.8 -7,-2.6 -2,-0.4 2,-0.3 -0.886 27.5-133.7-142.4 176.3 -2.1 30.9 14.5 28 52 E F E -FH 19 67B 0 39,-1.9 39,-2.4 -2,-0.3 2,-0.3 -0.986 15.5-136.5-137.5 145.3 -1.4 30.1 18.1 29 53 E L E +FH 18 66B 0 -11,-2.4 -12,-2.9 -2,-0.3 -11,-0.6 -0.754 32.2 152.5 -96.8 150.5 1.3 31.4 20.3 30 54 E T E - H 0 65B 0 35,-1.8 35,-2.0 -2,-0.3 112,-0.2 -0.863 51.6 -50.4-155.9-173.8 3.4 29.3 22.6 31 55 E A >> - 0 0 0 -16,-0.4 4,-1.7 -2,-0.3 3,-0.8 -0.434 39.1-135.1 -70.6 144.5 6.9 29.4 24.2 32 56 E G H 3> S+ 0 0 0 26,-0.3 4,-1.9 1,-0.3 27,-0.2 0.831 106.9 60.6 -65.4 -34.1 9.9 30.0 21.8 33 57 E H H 34 S+ 0 0 25 1,-0.2 -1,-0.3 2,-0.2 26,-0.1 0.734 106.6 47.4 -70.0 -13.8 11.8 27.2 23.6 34 58 E a H <4 S+ 0 0 5 -3,-0.8 -2,-0.2 1,-0.1 -1,-0.2 0.850 113.9 45.1 -90.4 -37.5 9.0 24.9 22.5 35 59 E T H >< S+ 0 0 2 -4,-1.7 3,-2.2 2,-0.1 2,-0.3 0.700 85.7 110.1 -77.5 -19.8 8.9 26.1 18.9 36 60 E D T 3< S- 0 0 103 -4,-1.9 3,-0.1 1,-0.3 29,-0.0 -0.390 99.5 -6.4 -60.0 117.1 12.7 26.0 18.6 37 62 E G T 3 S+ 0 0 70 -2,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.667 107.3 119.5 71.5 15.3 13.6 23.1 16.3 38 63 E A < + 0 0 7 -3,-2.2 -1,-0.2 1,-0.2 3,-0.1 -0.880 32.3 173.1-109.5 144.7 9.9 21.9 16.0 39 64 E T + 0 0 97 -2,-0.4 15,-2.6 1,-0.4 2,-0.3 0.750 62.0 35.3-112.5 -60.6 8.2 21.8 12.7 40 65 E T E - I 0 53B 38 13,-0.2 -1,-0.4 27,-0.0 2,-0.4 -0.748 63.7-157.3-102.4 146.7 4.8 20.2 13.1 41 66 E W E - I 0 52B 0 11,-2.5 10,-3.3 -2,-0.3 11,-1.1 -0.960 6.6-166.2-122.9 140.1 2.4 20.3 16.1 42 67 E W E -DI 8 50B 52 -34,-2.9 -34,-2.7 -2,-0.4 8,-0.2 -0.868 24.9-135.3-123.3 158.1 -0.3 17.9 17.1 43 68 E A S S+ 0 0 30 6,-3.0 2,-0.3 -2,-0.3 7,-0.1 0.575 86.6 41.5 -85.7 -13.5 -3.3 18.0 19.5 44 78 E N S > S- 0 0 44 5,-0.5 3,-1.9 -36,-0.1 5,-0.1 -0.946 80.3-116.4-138.1 158.9 -2.7 14.6 21.0 45 79 E S T 3 S+ 0 0 75 -2,-0.3 -1,-0.1 1,-0.3 -38,-0.0 0.775 114.7 61.4 -61.6 -26.5 0.1 12.3 22.1 46 80 E A T 3 S- 0 0 66 1,-0.0 -1,-0.3 -3,-0.0 -3,-0.0 0.603 103.8-133.8 -74.7 -13.1 -0.8 9.8 19.4 47 81 E R < + 0 0 82 -3,-1.9 -2,-0.1 2,-0.1 3,-0.1 0.914 69.3 122.4 60.6 44.4 0.0 12.5 16.8 48 82 E T + 0 0 102 1,-0.2 2,-0.7 -4,-0.0 -1,-0.1 0.680 58.9 60.8-107.2 -22.6 -3.1 11.9 14.9 49 83 E T S S- 0 0 54 -5,-0.1 -6,-3.0 22,-0.0 -5,-0.5 -0.916 77.2-152.4-109.6 108.9 -4.7 15.3 15.0 50 84 E V E -I 42 0B 55 -2,-0.7 -8,-0.3 -8,-0.2 3,-0.1 -0.547 17.1-179.0 -79.9 146.8 -2.5 17.9 13.4 51 85 E L E - 0 0 0 -10,-3.3 19,-2.7 1,-0.4 20,-1.9 0.782 49.5 -83.6-107.6 -56.2 -2.7 21.5 14.4 52 86 E G E -IJ 41 69B 0 -11,-1.1 -11,-2.5 17,-0.3 -1,-0.4 -0.964 42.8 -70.8 175.1-161.8 -0.2 23.2 12.2 53 87 E T E -IJ 40 68B 45 15,-1.8 15,-2.9 -2,-0.3 -13,-0.2 -0.943 46.6 -94.2-128.3 147.4 3.4 24.1 11.6 54 88 E T E + J 0 67B 35 -15,-2.6 13,-0.3 -2,-0.4 3,-0.1 -0.319 36.1 174.4 -57.5 128.7 5.9 26.5 13.2 55 89 E S E + 0 0 60 11,-2.9 2,-0.3 1,-0.4 12,-0.2 0.514 66.6 3.7-112.1 -14.9 6.0 29.9 11.5 56 90 E G E - J 0 66B 16 10,-1.4 10,-2.4 2,-0.0 -1,-0.4 -0.948 55.6-171.5-169.5 150.2 8.3 31.7 13.8 57 91 E S E - J 0 65B 50 -2,-0.3 2,-0.4 8,-0.3 8,-0.3 -0.976 2.5-174.8-152.4 132.9 10.4 31.1 16.9 58 93 E S E + J 0 64B 26 6,-2.8 6,-2.0 -2,-0.3 -26,-0.3 -0.861 23.7 161.6-134.8 99.1 12.3 33.5 19.1 59 94 E F + 0 0 32 -2,-0.4 2,-0.2 4,-0.2 4,-0.1 -0.856 46.2 27.5-168.4 136.3 14.4 32.0 21.9 60 99AE P S S+ 0 0 36 0, 0.0 2,-2.0 0, 0.0 66,-0.2 0.494 121.6 31.9 -81.7-155.3 16.6 32.7 23.6 61 100 E N B S+k 126 0C 91 64,-2.4 66,-2.8 -2,-0.2 2,-0.2 -0.450 134.3 25.1 81.4 -59.9 16.7 36.5 24.3 62 101 E N S S- 0 0 50 -2,-2.0 66,-0.1 64,-0.2 2,-0.0 -0.575 79.8-139.9-112.1-175.8 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 -0.489 55.8 103.2-148.9 72.1 10.7 33.4 24.6 64 103 E Y E + J 0 58B 21 -6,-2.0 -6,-2.8 -33,-0.3 2,-0.3 -0.988 33.5 176.2-148.7 154.8 7.9 33.2 22.1 65 104 E G E -HJ 30 57B 0 -35,-2.0 -35,-1.8 -2,-0.3 2,-0.4 -0.960 16.6-141.7-151.3 162.7 7.0 31.3 19.0 66 105 E I E -HJ 29 56B 4 -10,-2.4 -11,-2.9 -2,-0.3 -10,-1.4 -0.990 5.7-159.0-136.9 141.6 4.0 31.1 16.6 67 106 E V E -HJ 28 54B 0 -39,-2.4 -39,-1.9 -2,-0.4 2,-0.5 -0.979 15.8-136.5-122.8 128.8 2.4 28.2 14.8 68 107 E R E -HJ 27 53B 121 -15,-2.9 -15,-1.8 -2,-0.4 -41,-0.2 -0.718 25.8-120.9 -87.7 126.2 0.2 28.5 11.8 69 108 E Y E + J 0 52B 22 -43,-2.2 -17,-0.3 -2,-0.5 -43,-0.2 -0.489 36.8 167.5 -67.9 133.2 -2.9 26.4 11.9 70 109 E T + 0 0 73 -19,-2.7 2,-0.7 -2,-0.2 -18,-0.2 0.391 52.9 97.3-119.3 -9.1 -3.2 23.9 9.0 71 110 E N - 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