==== 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 2NU0 . COMPND 2 MOLECULE: STREPTOGRISIN B, PROTEASE 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) . 9743.0 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 . 14 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.8 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 0.000 360.0 360.0 360.0 146.5 -8.7 23.7 21.5 2 17 E S > - 0 0 8 74,-0.1 3,-2.1 76,-0.1 14,-0.3 -0.841 360.0 -50.2-141.3 179.1 -7.9 26.7 23.7 3 18 E G B 3 S+a 80 0A 0 76,-2.6 78,-0.7 74,-0.3 14,-0.2 -0.286 120.6 26.7 -55.1 128.9 -5.3 28.4 25.8 4 19 E G T 3 S+ 0 0 1 12,-3.0 -1,-0.2 1,-0.4 101,-0.2 0.147 90.3 127.5 104.2 -19.3 -3.8 26.0 28.3 5 29 E D < - 0 0 46 -3,-2.1 11,-2.9 1,-0.1 -1,-0.4 -0.342 66.2 -94.5 -71.4 155.1 -4.4 22.8 26.3 6 30 E A E -C 15 0B 23 9,-0.2 2,-0.4 96,-0.2 9,-0.2 -0.346 37.4-171.4 -68.6 145.7 -1.6 20.3 25.5 7 31 E I E -C 14 0B 0 7,-2.1 7,-2.5 -2,-0.1 2,-0.4 -0.996 8.3-150.5-136.8 140.5 0.3 20.5 22.3 8 32 E Y E +CD 13 42B 43 34,-2.9 34,-3.1 -2,-0.4 5,-0.2 -0.946 13.4 179.1-119.6 134.1 2.8 17.9 21.1 9 33 E S - 0 0 1 3,-2.4 32,-0.1 -2,-0.4 29,-0.1 -0.341 53.0 -89.5-108.8-166.7 5.8 18.4 18.9 10 34 E S S S+ 0 0 84 30,-0.3 3,-0.1 1,-0.2 31,-0.1 0.740 126.4 44.6 -79.2 -20.7 8.2 15.7 17.7 11 39 E T S S- 0 0 68 1,-0.2 2,-0.3 23,-0.2 -1,-0.2 0.794 121.2 -55.4 -92.5 -38.0 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 -0.907 62.3 -58.5-175.9-154.9 7.8 16.7 23.8 13 41 E R E +CE 8 201B 36 188,-1.9 188,-2.4 -2,-0.3 -5,-0.2 -0.946 41.5 159.7-123.3 140.5 4.7 18.4 25.2 14 42 E a E -C 7 0B 4 -7,-2.5 -7,-2.1 -2,-0.4 2,-0.4 -0.597 37.4 -98.7-133.6-166.6 4.0 22.1 25.8 15 43 E S E -C 6 0B 0 126,-2.6 16,-0.4 -9,-0.2 2,-0.3 -0.943 30.0-111.1-124.7 148.2 0.9 24.1 26.3 16 44 E L - 0 0 0 -11,-2.9 -12,-3.0 -2,-0.4 14,-0.2 -0.583 27.7-162.4 -74.9 133.6 -1.0 26.3 23.8 17 45 E G - 0 0 0 12,-2.8 2,-0.3 1,-0.3 13,-0.2 0.943 57.8 -29.6 -80.4 -79.3 -0.6 30.0 24.9 18 46 E F E -F 29 0B 4 11,-0.7 11,-2.4 -15,-0.1 2,-0.4 -0.996 54.4-119.3-141.4 148.4 -3.4 31.9 23.0 19 47 E N E +F 28 0B 4 -2,-0.3 166,-0.6 58,-0.3 2,-0.3 -0.691 45.0 170.8 -84.3 132.9 -5.2 31.5 19.7 20 48 E V E -FG 27 184B 0 7,-2.8 7,-2.6 -2,-0.4 2,-0.3 -0.883 14.2-158.9-137.8 172.1 -4.5 34.6 17.6 21 48AE R E -FG 26 183B 95 162,-2.2 162,-2.1 -2,-0.3 2,-0.4 -0.993 18.0-157.8-155.2 161.4 -5.1 35.7 14.1 22 48BE S E > S-F 25 0B 52 3,-2.4 3,-2.4 -2,-0.3 2,-0.3 -0.953 77.4 -43.5-140.1 112.1 -4.1 38.1 11.3 23 48CE G T 3 S- 0 0 67 -2,-0.4 159,-0.0 1,-0.3 0, 0.0 -0.477 125.1 -25.1 64.9-124.6 -6.7 38.6 8.7 24 48DE S T 3 S+ 0 0 110 -2,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.191 115.6 105.8-104.0 13.9 -8.2 35.2 8.0 25 49 E T E < -F 22 0B 55 -3,-2.4 -3,-2.4 43,-0.0 2,-0.3 -0.874 56.1-156.0-102.1 121.8 -5.0 33.4 9.1 26 50 E Y E +F 21 0B 75 -2,-0.6 43,-2.2 -5,-0.2 2,-0.3 -0.741 21.1 157.0 -97.9 142.4 -5.2 31.6 12.4 27 51 E Y E -FH 20 68B 44 -7,-2.6 -7,-2.8 -2,-0.3 2,-0.4 -0.902 28.4-133.2-145.6 176.4 -2.2 30.8 14.6 28 52 E F E -FH 19 67B 0 39,-2.0 39,-2.5 -2,-0.3 2,-0.3 -0.991 14.7-136.8-139.0 144.2 -1.4 30.0 18.2 29 53 E L E +FH 18 66B 0 -11,-2.4 -12,-2.8 -2,-0.4 -11,-0.7 -0.741 32.4 151.5 -96.0 151.0 1.3 31.4 20.3 30 54 E T E - H 0 65B 0 35,-2.0 35,-2.0 -2,-0.3 112,-0.2 -0.831 52.1 -47.8-155.9-170.5 3.4 29.3 22.7 31 55 E A >> - 0 0 0 -16,-0.4 4,-1.8 -2,-0.2 3,-0.7 -0.455 39.0-136.8 -72.2 143.1 6.9 29.3 24.1 32 56 E G H 3> S+ 0 0 0 26,-0.3 4,-2.0 1,-0.2 27,-0.2 0.847 106.3 60.0 -65.9 -34.2 9.9 29.9 21.8 33 57 E H H 34 S+ 0 0 25 1,-0.2 -1,-0.2 2,-0.2 26,-0.1 0.748 107.2 47.3 -68.2 -17.3 11.8 27.2 23.6 34 58 E a H <4 S+ 0 0 5 -3,-0.7 -2,-0.2 1,-0.1 -1,-0.2 0.865 114.0 45.2 -88.4 -37.9 9.0 24.8 22.5 35 59 E T H >< S+ 0 0 1 -4,-1.8 3,-2.1 2,-0.1 2,-0.2 0.702 86.1 109.9 -76.6 -20.3 8.9 26.0 18.9 36 60 E D T 3< S- 0 0 101 -4,-2.0 3,-0.1 1,-0.3 29,-0.0 -0.382 99.0 -5.9 -59.6 120.2 12.7 25.9 18.6 37 62 E G T 3 S+ 0 0 72 1,-0.2 2,-0.3 -2,-0.2 -1,-0.3 0.595 107.7 119.2 71.1 9.0 13.6 23.0 16.3 38 63 E A < + 0 0 7 -3,-2.1 -1,-0.2 1,-0.2 3,-0.1 -0.824 32.5 172.4-105.0 146.2 10.0 21.8 16.1 39 64 E T + 0 0 94 1,-0.4 15,-2.7 -2,-0.3 2,-0.3 0.736 61.5 36.2-114.5 -61.8 8.1 21.8 12.8 40 65 E T E - I 0 53B 37 13,-0.2 2,-0.4 27,-0.0 -1,-0.4 -0.734 63.6-157.1-100.0 146.5 4.8 20.1 13.1 41 66 E W E - I 0 52B 0 11,-2.5 10,-3.1 -2,-0.3 11,-1.1 -0.962 6.7-165.7-123.5 138.4 2.4 20.3 16.1 42 67 E W E -DI 8 50B 50 -34,-3.1 -34,-2.9 -2,-0.4 8,-0.2 -0.879 24.6-135.9-121.9 158.0 -0.3 17.8 17.1 43 68 E A S S+ 0 0 29 6,-3.1 2,-0.3 -2,-0.3 7,-0.1 0.565 85.8 41.0 -85.9 -11.6 -3.2 18.0 19.5 44 78 E N S > S- 0 0 43 5,-0.5 3,-2.0 -36,-0.1 5,-0.1 -0.957 80.0-115.4-141.0 158.1 -2.6 14.5 21.0 45 79 E S T 3 S+ 0 0 78 -2,-0.3 -1,-0.1 1,-0.3 -38,-0.0 0.821 114.7 60.2 -57.9 -33.1 0.1 12.1 22.2 46 80 E A T 3 S- 0 0 65 1,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.584 104.5-132.7 -70.9 -12.0 -0.8 9.7 19.4 47 81 E R S < S+ 0 0 88 -3,-2.0 -2,-0.1 2,-0.1 3,-0.1 0.915 70.0 122.5 60.2 43.8 0.1 12.4 16.9 48 82 E T + 0 0 100 1,-0.2 2,-0.7 -4,-0.0 -1,-0.1 0.694 58.2 61.1-106.6 -24.3 -3.1 11.7 15.0 49 83 E T S S- 0 0 55 -5,-0.1 -6,-3.1 22,-0.0 -5,-0.5 -0.904 77.1-151.8-107.5 109.5 -4.7 15.2 15.1 50 84 E V E -I 42 0B 55 -2,-0.7 -8,-0.3 -8,-0.2 3,-0.1 -0.505 17.3-178.9 -79.4 149.3 -2.5 17.7 13.4 51 85 E L E - 0 0 0 -10,-3.1 19,-2.6 1,-0.4 20,-2.1 0.743 49.1 -84.3-109.6 -59.8 -2.7 21.3 14.5 52 86 E G E -IJ 41 69B 0 -11,-1.1 -11,-2.5 17,-0.3 -1,-0.4 -0.951 42.8 -70.2 177.5-159.5 -0.2 23.1 12.2 53 87 E T E -IJ 40 68B 47 15,-1.9 15,-2.9 -2,-0.3 -13,-0.2 -0.961 46.2 -95.1-130.3 145.9 3.4 24.1 11.6 54 88 E T E + J 0 67B 35 -15,-2.7 13,-0.3 -2,-0.4 3,-0.1 -0.299 35.3 175.4 -56.4 127.0 5.8 26.4 13.2 55 89 E S E + 0 0 58 11,-2.8 2,-0.3 1,-0.4 12,-0.2 0.528 66.6 4.1-109.4 -14.8 5.9 29.9 11.5 56 90 E G E - J 0 66B 16 10,-1.5 10,-2.3 2,-0.0 -1,-0.4 -0.955 54.8-170.7-169.1 151.7 8.3 31.6 13.9 57 91 E S E - J 0 65B 53 -2,-0.3 2,-0.4 8,-0.3 8,-0.2 -0.973 2.2-176.0-153.1 132.3 10.4 31.1 16.9 58 93 E S E + J 0 64B 26 6,-2.7 6,-1.9 -2,-0.3 -26,-0.3 -0.875 23.9 163.1-134.5 99.9 12.3 33.4 19.1 59 94 E F + 0 0 31 -2,-0.4 2,-0.2 -27,-0.2 4,-0.1 -0.863 45.5 25.3-169.6 137.9 14.5 31.9 21.9 60 99AE P S S+ 0 0 35 0, 0.0 2,-1.9 0, 0.0 66,-0.2 0.507 120.9 34.4 -79.1-154.5 16.6 32.6 23.7 61 100 E N B S+k 126 0C 91 64,-2.4 66,-2.7 -2,-0.2 2,-0.2 -0.456 134.4 22.6 81.6 -58.3 16.7 36.4 24.4 62 101 E N S S- 0 0 42 -2,-1.9 66,-0.1 64,-0.2 67,-0.0 -0.557 79.6-138.8-115.4-171.9 12.9 36.3 24.1 63 102 E D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.1 108,-0.2 -0.428 55.1 104.3-152.4 70.4 10.7 33.3 24.7 64 103 E Y E + J 0 58B 23 -6,-1.9 -6,-2.7 -33,-0.3 2,-0.3 -0.984 32.8 176.8-148.0 153.8 7.9 33.2 22.1 65 104 E G E -HJ 30 57B 0 -35,-2.0 -35,-2.0 -2,-0.3 2,-0.4 -0.970 16.1-142.9-150.6 160.5 7.0 31.2 19.0 66 105 E I E -HJ 29 56B 5 -10,-2.3 -11,-2.8 -2,-0.3 -10,-1.5 -0.985 6.0-159.4-135.8 141.0 4.0 31.0 16.7 67 106 E V E -HJ 28 54B 0 -39,-2.5 -39,-2.0 -2,-0.4 2,-0.5 -0.981 15.5-136.3-122.8 130.0 2.4 28.1 14.9 68 107 E R E -HJ 27 53B 119 -15,-2.9 -15,-1.9 -2,-0.4 -41,-0.2 -0.721 25.2-121.1 -87.8 127.9 0.2 28.4 11.8 69 108 E Y E + J 0 52B 22 -43,-2.2 -17,-0.3 -2,-0.5 -43,-0.2 -0.473 36.5 167.4 -68.4 132.3 -3.0 26.3 11.9 70 109 E T + 0 0 71 -19,-2.6 2,-0.7 -2,-0.2 -18,-0.2 0.411 54.0 96.4-118.5 -10.7 -3.2 23.8 9.0 71 110 E N - 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