==== 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 2NU2 . COMPND 2 MOLECULE: STREPTOGRISIN B, PROTEASE 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) . 9857.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 65.3 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 . 1 0.4 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 . 16 6.8 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 27 0, 0.0 76,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 146.7 -8.6 23.8 21.4 2 17 E S > - 0 0 7 74,-0.1 3,-2.0 76,-0.1 14,-0.3 -0.862 360.0 -49.7-143.6 177.6 -7.8 26.8 23.6 3 18 E G B 3 S+a 80 0A 0 76,-2.6 78,-0.8 74,-0.3 14,-0.2 -0.257 120.6 24.0 -53.9 132.0 -5.2 28.5 25.8 4 19 E G T 3 S+ 0 0 1 12,-3.3 -1,-0.2 1,-0.3 101,-0.2 0.109 90.6 127.9 99.7 -20.4 -3.6 26.1 28.3 5 29 E D < - 0 0 46 -3,-2.0 11,-2.9 1,-0.1 -1,-0.3 -0.295 66.8 -91.6 -68.6 153.6 -4.3 22.9 26.3 6 30 E A E -C 15 0B 23 9,-0.2 2,-0.4 96,-0.2 9,-0.2 -0.330 38.7-171.4 -66.8 145.8 -1.6 20.4 25.5 7 31 E I E -C 14 0B 0 7,-2.3 7,-2.7 -2,-0.1 2,-0.4 -0.995 7.5-152.6-136.4 140.1 0.4 20.6 22.2 8 32 E Y E +CD 13 42B 44 34,-2.6 34,-2.8 -2,-0.4 5,-0.2 -0.949 12.3 179.7-121.3 135.4 2.9 18.0 21.0 9 33 E S - 0 0 2 3,-2.6 32,-0.1 -2,-0.4 29,-0.1 -0.439 52.5 -88.6-113.1-171.0 5.9 18.4 18.8 10 34 E S S S+ 0 0 86 30,-0.3 3,-0.1 1,-0.2 28,-0.1 0.783 127.1 41.3 -71.9 -24.8 8.3 15.7 17.6 11 39 E T S S- 0 0 62 1,-0.2 2,-0.3 23,-0.2 -1,-0.2 0.814 121.7 -46.7 -92.8 -40.0 10.3 16.3 20.7 12 40 E G - 0 0 12 22,-0.1 -3,-2.6 190,-0.1 2,-0.4 -0.893 60.8 -65.5-168.3-158.3 7.9 16.8 23.6 13 41 E R E +CE 8 201B 35 188,-1.8 188,-2.3 -2,-0.3 -5,-0.2 -0.947 41.5 158.9-121.7 136.1 4.8 18.5 25.1 14 42 E a E -C 7 0B 4 -7,-2.7 -7,-2.3 -2,-0.4 2,-0.3 -0.612 37.9 -99.1-129.8-166.4 4.1 22.1 25.8 15 43 E S E -C 6 0B 0 126,-2.7 16,-0.4 -9,-0.2 2,-0.3 -0.935 29.7-110.3-123.1 149.8 0.9 24.2 26.2 16 44 E L - 0 0 0 -11,-2.9 -12,-3.3 -2,-0.3 14,-0.2 -0.571 28.2-163.5 -74.8 134.0 -0.9 26.4 23.8 17 45 E G - 0 0 0 12,-2.8 2,-0.3 1,-0.3 13,-0.2 0.934 57.9 -27.7 -82.1 -79.1 -0.6 30.1 24.8 18 46 E F E -F 29 0B 4 11,-0.6 11,-2.5 -15,-0.1 2,-0.4 -0.996 53.9-121.7-140.6 147.6 -3.2 32.1 23.0 19 47 E N E +F 28 0B 4 58,-0.4 166,-0.6 -2,-0.3 2,-0.3 -0.695 44.0 171.5 -84.8 134.2 -5.1 31.7 19.7 20 48 E V E -FG 27 184B 0 7,-2.8 7,-2.6 -2,-0.4 2,-0.3 -0.858 14.9-155.2-138.6 171.8 -4.4 34.8 17.6 21 48AE R E -FG 26 183B 95 162,-2.1 162,-2.1 -2,-0.3 2,-0.4 -0.993 16.6-157.7-152.7 160.2 -5.1 35.9 14.0 22 48BE S E > S-F 25 0B 51 3,-2.5 3,-2.8 -2,-0.3 2,-0.3 -0.960 77.6 -45.7-138.5 112.6 -4.0 38.2 11.3 23 48CE G T 3 S- 0 0 67 -2,-0.4 159,-0.0 1,-0.3 0, 0.0 -0.443 124.6 -25.5 62.6-120.8 -6.7 38.9 8.7 24 48DE S T 3 S+ 0 0 108 -2,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.209 115.7 105.3-107.5 12.7 -8.2 35.5 8.0 25 49 E T E < -F 22 0B 55 -3,-2.8 -3,-2.5 43,-0.0 2,-0.3 -0.865 58.0-152.7 -99.2 123.8 -5.0 33.6 9.0 26 50 E Y E +F 21 0B 78 -2,-0.6 43,-2.1 -5,-0.2 2,-0.3 -0.753 22.2 158.3 -99.2 140.2 -5.1 31.8 12.3 27 51 E Y E -FH 20 68B 48 -7,-2.6 -7,-2.8 -2,-0.3 2,-0.3 -0.893 27.6-134.5-141.5 176.0 -2.2 31.0 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 15.1-137.0-136.5 145.7 -1.3 30.2 18.1 29 53 E L E +FH 18 66B 0 -11,-2.5 -12,-2.8 -2,-0.3 -11,-0.6 -0.739 31.5 153.3 -96.5 152.4 1.4 31.5 20.3 30 54 E T E - H 0 65B 0 35,-2.0 35,-1.9 -2,-0.3 112,-0.2 -0.858 51.0 -52.3-156.7-173.6 3.5 29.4 22.6 31 55 E A >> - 0 0 0 -16,-0.4 4,-1.6 -2,-0.3 3,-1.0 -0.475 39.1-135.1 -71.8 143.8 7.0 29.5 24.1 32 56 E G H 3> S+ 0 0 0 26,-0.3 4,-2.0 1,-0.3 27,-0.2 0.832 106.0 61.3 -66.1 -34.5 10.0 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 0.739 106.9 47.5 -67.9 -13.6 11.9 27.2 23.5 34 58 E a H <4 S+ 0 0 7 -3,-1.0 -2,-0.2 1,-0.1 -1,-0.2 0.838 114.0 44.7 -89.7 -37.9 9.1 24.9 22.5 35 59 E T H >< S+ 0 0 2 -4,-1.6 3,-2.3 2,-0.1 2,-0.3 0.704 86.4 109.5 -78.2 -20.5 9.0 26.1 18.8 36 60 E D T 3< S- 0 0 99 -4,-2.0 3,-0.1 1,-0.3 29,-0.0 -0.389 98.6 -4.2 -60.7 118.0 12.8 26.0 18.5 37 62 E G T 3 S+ 0 0 73 -2,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.619 108.1 119.5 73.8 11.5 13.7 23.1 16.2 38 63 E A < + 0 0 7 -3,-2.3 -1,-0.3 1,-0.2 3,-0.1 -0.877 31.5 170.3-107.9 142.6 10.0 22.0 15.9 39 64 E T + 0 0 99 -2,-0.4 15,-2.7 1,-0.3 2,-0.3 0.767 62.0 36.4-111.7 -63.0 8.2 21.9 12.7 40 65 E T E - I 0 53B 41 13,-0.2 2,-0.4 27,-0.0 -1,-0.3 -0.723 63.8-157.8 -99.1 146.6 4.9 20.2 13.0 41 66 E W E - I 0 52B 0 11,-2.4 10,-3.3 -2,-0.3 11,-1.1 -0.967 6.2-166.2-124.0 140.0 2.5 20.3 16.0 42 67 E W E -DI 8 50B 51 -34,-2.8 -34,-2.6 -2,-0.4 8,-0.2 -0.875 24.9-136.5-122.6 158.8 -0.3 17.9 17.0 43 68 E A S S+ 0 0 29 6,-2.9 2,-0.3 -2,-0.3 7,-0.1 0.612 86.3 40.6 -85.8 -16.4 -3.2 18.0 19.4 44 78 E N S > S- 0 0 44 5,-0.5 3,-1.5 -36,-0.1 5,-0.1 -0.914 79.9-116.3-136.1 161.2 -2.7 14.5 20.9 45 79 E S T 3 S+ 0 0 77 -2,-0.3 -1,-0.1 1,-0.3 -38,-0.0 0.752 114.9 60.4 -64.4 -25.0 0.1 12.2 22.0 46 80 E A T 3 S- 0 0 66 1,-0.0 -1,-0.3 3,-0.0 -3,-0.0 0.585 104.2-133.5 -77.0 -13.9 -0.8 9.8 19.3 47 81 E R < + 0 0 89 -3,-1.5 -2,-0.1 2,-0.1 3,-0.1 0.897 68.8 124.1 61.5 43.0 -0.1 12.5 16.7 48 82 E T + 0 0 103 1,-0.2 2,-0.7 2,-0.0 -1,-0.1 0.636 59.1 60.9-105.7 -17.0 -3.3 11.8 14.9 49 83 E T S S- 0 0 54 -5,-0.1 -6,-2.9 22,-0.0 -5,-0.5 -0.933 76.2-153.4-115.2 109.5 -4.7 15.3 15.0 50 84 E V E -I 42 0B 59 -2,-0.7 -8,-0.3 -8,-0.2 3,-0.1 -0.555 15.6-178.6 -80.3 146.3 -2.5 17.8 13.3 51 85 E L E - 0 0 0 -10,-3.3 19,-2.5 1,-0.4 20,-2.2 0.784 48.3 -85.0-106.7 -58.5 -2.6 21.4 14.4 52 86 E G E -IJ 41 69B 0 -11,-1.1 -11,-2.4 17,-0.3 -1,-0.4 -0.957 43.3 -66.8 177.3-160.6 -0.2 23.2 12.1 53 87 E T E -IJ 40 68B 42 15,-1.9 15,-2.9 -2,-0.3 -13,-0.2 -0.945 46.2 -96.6-126.2 146.9 3.4 24.2 11.5 54 88 E T E + J 0 67B 38 -15,-2.7 13,-0.3 -2,-0.4 3,-0.1 -0.323 36.4 174.9 -58.8 126.5 5.9 26.5 13.1 55 89 E S E + 0 0 61 11,-2.8 2,-0.3 1,-0.4 12,-0.2 0.563 65.3 3.7-108.5 -20.0 6.0 30.0 11.5 56 90 E G E - J 0 66B 17 10,-1.6 10,-2.2 2,-0.0 -1,-0.4 -0.966 55.6-169.7-165.0 150.9 8.3 31.8 13.8 57 91 E S E - J 0 65B 52 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.965 3.0-176.2-150.7 128.8 10.5 31.2 16.8 58 93 E S E + J 0 64B 28 6,-3.1 6,-2.1 -2,-0.3 -26,-0.3 -0.863 23.9 161.3-131.2 98.7 12.4 33.6 19.0 59 94 E F + 0 0 32 -2,-0.4 2,-0.2 4,-0.2 4,-0.1 -0.861 46.5 25.3-168.3 137.2 14.6 32.0 21.8 60 99AE P S S+ 0 0 34 0, 0.0 2,-2.0 0, 0.0 66,-0.2 0.507 121.4 33.7 -79.6-153.0 16.8 32.7 23.6 61 100 E N B S+k 126 0C 98 64,-2.4 66,-2.8 -2,-0.2 2,-0.2 -0.432 135.0 22.9 79.8 -59.2 16.9 36.5 24.2 62 101 E N S S- 0 0 35 -2,-2.0 66,-0.1 64,-0.2 67,-0.0 -0.588 79.9-139.2-113.4-174.9 13.1 36.5 24.0 63 102 E D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.1 108,-0.2 -0.479 55.6 103.5-148.9 71.1 10.8 33.4 24.6 64 103 E Y E + J 0 58B 19 -6,-2.1 -6,-3.1 -33,-0.3 2,-0.3 -0.983 33.1 176.1-147.2 158.2 8.0 33.3 22.1 65 104 E G E -HJ 30 57B 0 -35,-1.9 -35,-2.0 -2,-0.3 2,-0.4 -0.968 16.1-142.2-154.6 162.7 7.0 31.3 18.9 66 105 E I E -HJ 29 56B 4 -10,-2.2 -11,-2.8 -2,-0.3 -10,-1.6 -0.984 5.7-159.1-138.2 143.3 4.1 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 -0.987 15.7-136.3-125.2 129.1 2.4 28.2 14.8 68 107 E R E -HJ 27 53B 99 -15,-2.9 -15,-1.9 -2,-0.4 -41,-0.2 -0.713 25.2-121.0 -87.7 128.6 0.2 28.6 11.8 69 108 E Y E + J 0 52B 19 -43,-2.1 -17,-0.3 -2,-0.5 -43,-0.2 -0.487 36.1 167.7 -68.5 133.8 -2.9 26.4 11.8 70 109 E T + 0 0 61 -19,-2.5 2,-0.7 -2,-0.2 -18,-0.2 0.464 54.9 95.4-117.5 -15.9 -3.2 24.0 8.9 71 110 E N - 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