==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (SERINE PROTEASE/INHIBITOR) 26-MAY-95 1SGP . COMPND 2 MOLECULE: STREPTOMYCES GRISEUS PROTEINASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR K.HUANG,M.N.G.JAMES . 236 2 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9777.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 64.8 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 . 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 27 0, 0.0 76,-1.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 147.1 -8.6 23.8 21.5 2 17 E S > - 0 0 8 74,-0.1 3,-2.2 76,-0.1 14,-0.3 -0.853 360.0 -49.0-143.9 179.0 -7.9 26.7 23.7 3 18 E G B 3 S+a 80 0A 0 76,-2.5 78,-0.6 74,-0.3 14,-0.2 -0.356 120.3 23.0 -53.8 135.3 -5.3 28.4 25.8 4 19 E G T 3 S+ 0 0 1 12,-3.1 -1,-0.3 1,-0.4 101,-0.2 0.125 91.1 128.0 95.3 -14.1 -3.7 26.1 28.3 5 29 E D < - 0 0 46 -3,-2.2 11,-2.6 1,-0.1 -1,-0.4 -0.320 66.8 -93.1 -75.6 158.0 -4.4 22.9 26.4 6 30 E A E -C 15 0B 23 9,-0.2 2,-0.3 96,-0.1 9,-0.3 -0.371 37.8-172.8 -69.2 147.8 -1.6 20.5 25.5 7 31 E I E -C 14 0B 0 7,-2.2 7,-2.7 -2,-0.0 2,-0.4 -0.992 8.3-152.9-135.5 143.1 0.3 20.6 22.3 8 32 E Y E -CD 13 42B 41 34,-2.8 34,-2.9 -2,-0.3 5,-0.2 -0.940 11.4-178.4-125.6 138.5 2.9 18.1 21.1 9 33 E S - 0 0 2 3,-2.6 32,-0.1 -2,-0.4 29,-0.1 -0.421 51.7 -86.6-112.9-168.5 5.8 18.4 18.9 10 34 E S S S+ 0 0 83 30,-0.4 3,-0.1 1,-0.2 31,-0.1 0.749 127.3 39.0 -79.4 -19.4 8.1 15.8 17.8 11 39 E T S S- 0 0 62 23,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.702 122.6 -42.9-102.8 -19.7 10.2 16.2 20.8 12 40 E G - 0 0 9 22,-0.1 -3,-2.6 190,-0.1 2,-0.4 -0.933 60.6 -66.9-175.5-158.6 7.8 16.9 23.7 13 41 E R E +CE 8 201B 34 188,-2.2 188,-2.5 -2,-0.3 -5,-0.2 -0.962 40.7 157.0-125.6 137.8 4.7 18.5 25.1 14 42 E a E -C 7 0B 4 -7,-2.7 -7,-2.2 -2,-0.4 2,-0.3 -0.573 38.1 -99.6-128.8-162.5 4.0 22.1 25.9 15 43 E S E -C 6 0B 0 126,-2.7 16,-0.4 -9,-0.3 -9,-0.2 -0.951 29.0-109.1-126.1 151.8 0.8 24.1 26.2 16 44 E L - 0 0 0 -11,-2.6 -12,-3.1 -2,-0.3 14,-0.2 -0.550 27.6-163.4 -75.2 137.3 -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 0.902 58.5 -27.1 -84.4 -79.9 -0.7 30.1 24.9 18 46 E F E -F 29 0B 4 11,-0.7 11,-2.7 -15,-0.1 2,-0.4 -0.997 53.7-120.7-140.0 146.4 -3.4 32.0 23.0 19 47 E N E +F 28 0B 3 58,-0.4 166,-0.7 -2,-0.3 2,-0.3 -0.656 45.3 169.9 -79.3 133.0 -5.3 31.6 19.8 20 48 E V E -FG 27 184B 0 7,-2.5 7,-2.6 -2,-0.4 2,-0.3 -0.872 14.0-159.5-140.7 167.5 -4.5 34.8 17.6 21 48AE R E -FG 26 183B 97 162,-2.3 162,-2.0 -2,-0.3 2,-0.4 -0.996 18.2-156.8-152.0 163.5 -5.1 35.8 14.1 22 48BE S E > S-F 25 0B 53 3,-2.8 3,-2.7 -2,-0.3 2,-0.3 -0.962 78.2 -40.4-140.2 116.3 -4.1 38.2 11.3 23 48CE G T 3 S- 0 0 71 -2,-0.4 159,-0.0 1,-0.3 0, 0.0 -0.378 124.8 -28.6 66.5-126.1 -6.8 38.7 8.6 24 48DE S T 3 S+ 0 0 106 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.218 115.5 106.1-103.0 10.6 -8.3 35.4 8.1 25 49 E T E < -F 22 0B 55 -3,-2.7 -3,-2.8 43,-0.0 2,-0.4 -0.904 57.7-152.2-102.0 129.7 -5.2 33.4 9.0 26 50 E Y E +F 21 0B 71 -2,-0.5 43,-2.2 -5,-0.2 2,-0.3 -0.764 21.1 162.6-103.3 141.9 -5.2 31.7 12.4 27 51 E Y E -FH 20 68B 49 -7,-2.6 -7,-2.5 -2,-0.4 2,-0.4 -0.887 26.2-134.1-141.8 172.3 -2.3 30.9 14.5 28 52 E F E -FH 19 67B 0 39,-2.1 39,-2.4 -2,-0.3 2,-0.3 -0.992 15.1-139.6-132.2 145.3 -1.4 30.1 18.1 29 53 E L E +FH 18 66B 0 -11,-2.7 -12,-2.9 -2,-0.4 -11,-0.7 -0.792 31.1 151.9 -96.4 150.7 1.3 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 -0.844 51.5 -51.3-154.6-172.9 3.4 29.4 22.6 31 55 E A >> - 0 0 0 -16,-0.4 4,-1.4 -2,-0.2 3,-0.7 -0.498 38.8-135.1 -70.4 145.7 6.9 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 0.781 106.0 61.3 -67.1 -35.8 9.9 30.0 21.8 33 57 E H H 34 S+ 0 0 24 1,-0.2 -1,-0.3 2,-0.2 26,-0.1 0.764 107.0 46.6 -67.5 -19.2 11.8 27.2 23.6 34 58 E a H <4 S+ 0 0 8 -3,-0.7 -2,-0.2 1,-0.1 -1,-0.2 0.827 114.7 46.4 -83.2 -39.6 9.0 24.8 22.5 35 59 E T H >< S+ 0 0 2 -4,-1.4 3,-2.2 2,-0.1 -2,-0.2 0.730 85.8 105.6 -75.1 -23.5 9.0 26.1 18.9 36 60 E D T 3< S- 0 0 102 -4,-2.0 3,-0.1 1,-0.3 29,-0.0 -0.323 100.4 -3.3 -60.1 119.7 12.7 26.0 18.5 37 62 E G T 3 S+ 0 0 72 1,-0.2 2,-0.4 -2,-0.2 -1,-0.3 0.628 106.4 115.4 76.8 2.6 13.5 23.1 16.3 38 63 E A < + 0 0 9 -3,-2.2 -1,-0.2 1,-0.2 16,-0.1 -0.836 32.7 173.6-105.0 145.0 9.9 21.9 16.0 39 64 E T + 0 0 100 -2,-0.4 15,-2.5 1,-0.4 2,-0.3 0.741 63.5 35.8-111.9 -61.7 8.2 21.9 12.7 40 65 E T E - I 0 53B 40 13,-0.2 -1,-0.4 27,-0.0 2,-0.4 -0.732 63.9-159.4 -98.9 148.9 4.8 20.2 13.1 41 66 E W E - I 0 52B 0 11,-2.2 10,-3.2 -2,-0.3 11,-1.2 -0.970 6.3-167.1-123.7 139.9 2.5 20.3 16.1 42 67 E W E -DI 8 50B 51 -34,-2.9 -34,-2.8 -2,-0.4 8,-0.2 -0.872 25.9-132.2-126.2 162.7 -0.3 17.9 17.0 43 68 E A S S+ 0 0 28 6,-2.8 2,-0.3 -2,-0.3 7,-0.1 0.538 86.9 39.9 -87.1 -13.5 -3.2 18.0 19.5 44 78 E N S > S- 0 0 45 5,-0.5 3,-1.9 -36,-0.1 5,-0.1 -0.943 80.5-114.8-138.9 161.8 -2.7 14.5 21.0 45 79 E S T 3 S+ 0 0 76 -2,-0.3 -1,-0.1 1,-0.3 -38,-0.0 0.788 114.3 61.4 -66.1 -25.1 0.2 12.3 22.1 46 80 E A T 3 S- 0 0 66 1,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.586 104.3-132.2 -74.4 -9.6 -0.7 9.8 19.5 47 81 E R < + 0 0 88 -3,-1.9 -2,-0.1 2,-0.1 3,-0.1 0.877 69.6 122.0 61.6 41.5 0.1 12.5 16.8 48 82 E T + 0 0 103 1,-0.2 2,-0.7 -4,-0.1 -1,-0.1 0.787 59.4 61.2-105.2 -23.3 -3.1 11.8 14.9 49 83 E T S S- 0 0 52 -5,-0.1 -6,-2.8 22,-0.0 -5,-0.5 -0.935 76.6-152.9-106.5 112.1 -4.7 15.3 15.0 50 84 E V E -I 42 0B 56 -2,-0.7 -8,-0.3 -8,-0.2 3,-0.1 -0.570 16.8-179.2 -79.6 146.0 -2.5 17.8 13.3 51 85 E L E - 0 0 0 -10,-3.2 19,-2.8 1,-0.4 20,-1.8 0.726 49.4 -81.2-107.3 -56.1 -2.7 21.4 14.5 52 86 E G E -IJ 41 69B 0 -11,-1.2 -11,-2.2 17,-0.3 2,-0.4 -0.964 42.4 -69.0 178.2-164.2 -0.2 23.2 12.3 53 87 E T E -IJ 40 68B 40 15,-1.8 15,-2.8 -2,-0.3 -13,-0.2 -0.952 46.8 -99.4-125.8 144.5 3.4 24.2 11.5 54 88 E T E + J 0 67B 32 -15,-2.5 13,-0.3 -2,-0.4 3,-0.1 -0.327 35.6 176.1 -58.2 131.8 5.8 26.5 13.2 55 89 E S E + 0 0 54 11,-2.8 2,-0.3 1,-0.4 12,-0.2 0.525 65.1 4.8-114.0 -14.8 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 -0.933 55.3-172.1-168.7 151.4 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,-0.2 -0.974 3.8-177.8-150.3 130.7 10.4 31.1 16.8 58 93 E S E + J 0 64B 28 6,-2.8 6,-2.3 -2,-0.3 -26,-0.3 -0.864 23.6 160.3-135.7 103.7 12.3 33.5 19.1 59 94 E F + 0 0 31 -2,-0.4 2,-0.2 4,-0.2 4,-0.1 -0.844 46.8 30.4-165.9 138.0 14.3 31.9 21.9 60 99AE P S S+ 0 0 34 0, 0.0 2,-2.1 0, 0.0 66,-0.2 0.521 120.9 33.0 -77.7-159.2 16.7 32.7 23.7 61 100 E N B S+k 126 0C 94 64,-2.7 66,-2.6 -2,-0.2 2,-0.2 -0.466 135.5 21.6 82.1 -66.4 16.7 36.5 24.3 62 101 E N S S- 0 0 51 -2,-2.1 66,-0.1 64,-0.2 67,-0.0 -0.577 79.6-139.7-109.4-172.0 12.9 36.5 24.1 63 102 E D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.1 108,-0.2 -0.555 56.4 103.8-150.0 78.4 10.7 33.4 24.7 64 103 E Y E + J 0 58B 23 -6,-2.3 -6,-2.8 -33,-0.3 2,-0.3 -0.988 33.1 173.9-151.5 154.3 7.8 33.3 22.2 65 104 E G E -HJ 30 57B 0 -35,-1.9 -35,-2.0 -2,-0.3 2,-0.4 -0.965 17.9-140.6-153.1 165.8 7.0 31.3 19.0 66 105 E I E -HJ 29 56B 4 -10,-2.4 -11,-2.8 -2,-0.3 -10,-1.4 -0.994 5.0-157.0-139.4 142.3 3.9 31.1 16.7 67 106 E V E -HJ 28 54B 0 -39,-2.4 -39,-2.1 -2,-0.4 2,-0.5 -0.972 15.2-137.5-120.7 126.7 2.3 28.1 14.9 68 107 E R E -HJ 27 53B 99 -15,-2.8 -15,-1.8 -2,-0.4 -41,-0.2 -0.737 26.0-121.5 -87.8 129.4 0.2 28.5 11.8 69 108 E Y E + J 0 52B 21 -43,-2.2 -17,-0.3 -2,-0.5 -43,-0.2 -0.523 35.9 169.2 -70.6 133.0 -2.9 26.4 11.9 70 109 E T + 0 0 66 -19,-2.8 2,-0.7 -2,-0.2 -18,-0.2 0.335 53.5 96.7-118.6 -5.9 -3.2 23.9 9.0 71 110 E N - 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