==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX(SERINE PROTEINASE-INHIBITOR) 21-JAN-83 3SGB . COMPND 2 MOLECULE: PROTEINASE B (SGPB); . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR R.J.READ,M.FUJINAGA,A.R.SIELECKI,M.N.G.JAMES . 235 2 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9808.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 64.7 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 37.4 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 . 12 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 0.000 360.0 360.0 360.0 138.6 -8.7 23.7 21.6 2 17 E S > - 0 0 9 74,-0.1 3,-1.9 76,-0.1 14,-0.3 -0.801 360.0 -53.1-138.4 179.8 -8.1 26.7 23.8 3 18 E G B 3 S+a 80 0A 0 76,-2.8 78,-0.8 -2,-0.3 14,-0.2 -0.371 121.4 26.2 -56.5 137.4 -5.4 28.4 25.9 4 19 E G T 3 S+ 0 0 1 12,-3.2 -1,-0.2 1,-0.3 101,-0.2 0.147 89.5 129.7 96.7 -24.4 -3.8 26.0 28.4 5 29 E D < - 0 0 46 -3,-1.9 11,-2.9 1,-0.1 -1,-0.3 -0.354 66.6 -93.7 -63.8 153.8 -4.5 22.8 26.4 6 30 E A E -C 15 0B 23 9,-0.2 2,-0.4 96,-0.2 9,-0.3 -0.369 38.5-170.0 -67.1 147.9 -1.7 20.3 25.6 7 31 E I E -C 14 0B 0 7,-2.2 7,-2.7 -3,-0.1 2,-0.4 -0.995 8.0-150.7-135.7 140.1 0.3 20.6 22.4 8 32 E Y E +CD 13 42B 41 34,-3.0 34,-2.4 -2,-0.4 5,-0.2 -0.932 14.0 178.5-119.6 133.5 2.7 18.0 21.2 9 33 E S - 0 0 2 3,-2.9 32,-0.1 -2,-0.4 26,-0.1 -0.342 52.6 -86.7-108.5-163.4 5.8 18.4 19.0 10 34 E S S S+ 0 0 100 30,-0.3 3,-0.1 1,-0.2 31,-0.1 0.767 127.1 37.3 -78.5 -24.3 8.3 15.8 17.8 11 39 E T S S- 0 0 80 23,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.790 122.1 -46.6 -97.5 -30.8 10.2 16.2 21.0 12 40 E G - 0 0 8 22,-0.1 -3,-2.9 189,-0.1 2,-0.4 -0.847 61.9 -59.1-174.0-160.3 7.7 16.8 23.8 13 41 E R E +CE 8 200B 34 187,-1.7 187,-2.6 -2,-0.3 128,-0.2 -0.964 40.2 159.5-119.8 135.3 4.7 18.5 25.3 14 42 E a E -C 7 0B 3 -7,-2.7 -7,-2.2 -2,-0.4 2,-0.4 -0.510 36.9-103.7-126.6-165.5 4.0 22.2 25.8 15 43 E S E -C 6 0B 0 126,-2.6 16,-0.4 -9,-0.3 -9,-0.2 -0.959 29.6-108.0-123.2 149.0 0.8 24.2 26.3 16 44 E L - 0 0 0 -11,-2.9 -12,-3.2 -2,-0.4 14,-0.2 -0.536 28.7-162.8 -73.3 135.1 -1.1 26.4 23.9 17 45 E G - 0 0 0 12,-3.2 2,-0.4 1,-0.3 13,-0.2 0.923 57.7 -28.0 -82.7 -81.9 -0.8 30.1 24.8 18 46 E F E -F 29 0B 4 11,-0.6 11,-3.0 -15,-0.1 2,-0.4 -0.991 54.8-120.8-139.4 145.7 -3.5 32.1 23.1 19 47 E N E +F 28 0B 4 -2,-0.4 166,-0.6 58,-0.4 2,-0.3 -0.679 44.9 170.2 -78.2 135.2 -5.4 31.6 19.8 20 48 E V E -FG 27 184B 0 7,-2.7 7,-2.6 -2,-0.4 2,-0.3 -0.860 14.6-160.6-140.3 170.9 -4.7 34.7 17.6 21 48AE R E -FG 26 183B 99 162,-2.1 162,-2.1 -2,-0.3 2,-0.4 -0.985 19.7-153.5-155.3 165.0 -5.4 35.8 14.1 22 48BE S E > S-F 25 0B 56 3,-2.3 3,-2.8 -2,-0.3 160,-0.1 -0.964 79.2 -49.1-136.9 113.2 -4.4 38.1 11.3 23 48CE G T 3 S- 0 0 63 -2,-0.4 159,-0.0 1,-0.3 0, 0.0 -0.324 125.9 -19.6 57.3-120.4 -7.4 38.7 8.9 24 48DE S T 3 S+ 0 0 104 -3,-0.1 2,-0.6 -2,-0.1 -1,-0.3 0.249 113.5 102.5 -97.9 4.8 -8.5 35.1 8.1 25 49 E T E < -F 22 0B 57 -3,-2.8 -3,-2.3 43,-0.0 2,-0.3 -0.913 57.8-155.3 -99.8 122.0 -5.3 33.3 9.2 26 50 E Y E +F 21 0B 79 -2,-0.6 43,-2.1 -5,-0.2 2,-0.3 -0.683 21.4 160.8 -98.8 140.3 -5.5 31.6 12.6 27 51 E Y E -FH 20 68B 49 -7,-2.6 -7,-2.7 -2,-0.3 2,-0.4 -0.890 27.6-133.9-144.7 170.2 -2.5 30.8 14.6 28 52 E F E -FH 19 67B 0 39,-1.9 39,-2.4 -2,-0.3 2,-0.3 -0.988 14.9-135.4-132.4 149.3 -1.6 30.1 18.2 29 53 E L E +FH 18 66B 0 -11,-3.0 -12,-3.2 -2,-0.4 -11,-0.6 -0.722 32.7 154.0 -96.3 151.7 1.1 31.5 20.4 30 54 E T E - H 0 65B 0 35,-2.0 35,-1.9 -2,-0.3 2,-0.2 -0.879 50.0 -54.0-153.6-174.1 3.3 29.4 22.6 31 55 E A >> - 0 0 0 -16,-0.4 4,-1.6 -2,-0.2 3,-0.8 -0.510 38.1-133.4 -73.2 145.2 6.8 29.6 24.1 32 56 E G H 3> S+ 0 0 0 26,-0.3 4,-1.9 1,-0.3 27,-0.2 0.782 107.3 59.5 -57.8 -45.5 9.8 30.1 21.8 33 57 E H H 34 S+ 0 0 24 1,-0.2 -1,-0.3 2,-0.2 26,-0.1 0.779 106.8 48.1 -67.9 -15.9 11.8 27.3 23.5 34 58 E a H <4 S+ 0 0 7 -3,-0.8 -2,-0.2 1,-0.1 -1,-0.2 0.820 114.8 44.5 -84.8 -42.7 8.9 24.9 22.5 35 59 E T H >< S+ 0 0 3 -4,-1.6 3,-1.1 2,-0.1 -2,-0.2 0.707 87.2 103.6 -80.0 -16.5 8.9 26.1 18.9 36 60 E D T 3< S+ 0 0 97 -4,-1.9 3,-0.1 1,-0.3 22,-0.0 -0.463 102.3 0.2 -64.8 124.3 12.7 26.2 18.5 37 62 E G T 3 S+ 0 0 80 1,-0.2 2,-0.3 -2,-0.2 -1,-0.3 0.228 108.7 117.0 78.6 -14.3 13.5 23.1 16.4 38 63 E A < + 0 0 13 -3,-1.1 -1,-0.2 1,-0.2 3,-0.1 -0.629 30.8 167.6 -87.7 141.2 9.8 22.1 16.1 39 64 E T + 0 0 103 1,-0.4 15,-2.5 -2,-0.3 2,-0.3 0.733 62.9 35.5-114.4 -65.5 8.1 21.9 12.8 40 65 E T E - I 0 53B 38 13,-0.2 -1,-0.4 27,-0.0 2,-0.3 -0.749 62.8-161.1 -98.1 146.2 4.7 20.1 13.2 41 66 E W E - I 0 52B 0 11,-2.3 10,-2.9 -2,-0.3 11,-1.2 -0.961 5.5-168.7-123.2 145.6 2.3 20.2 16.2 42 67 E W E -DI 8 50B 44 -34,-2.4 -34,-3.0 -2,-0.3 8,-0.2 -0.868 26.5-132.5-127.9 159.8 -0.5 17.8 17.1 43 68 E A S S+ 0 0 28 6,-2.5 2,-0.3 -2,-0.3 7,-0.1 0.477 85.9 46.5 -87.8 -12.1 -3.3 17.9 19.6 44 78 E N S > S- 0 0 43 5,-0.4 3,-1.6 -36,-0.1 5,-0.1 -0.916 80.0-117.5-135.1 159.0 -2.8 14.4 21.1 45 79 E S T 3 S+ 0 0 79 -2,-0.3 -1,-0.0 1,-0.3 -38,-0.0 0.768 114.3 60.6 -62.1 -29.1 0.1 12.1 22.3 46 80 E A T 3 S- 0 0 67 3,-0.0 -1,-0.3 1,-0.0 -3,-0.0 0.533 105.5-132.5 -72.5 -13.8 -0.6 9.6 19.5 47 81 E R < + 0 0 84 -3,-1.6 -2,-0.1 2,-0.1 3,-0.1 0.902 69.3 124.6 58.5 47.5 0.2 12.5 17.1 48 82 E T + 0 0 105 1,-0.2 2,-0.6 2,-0.0 -1,-0.1 0.580 55.1 61.5-109.1 -18.9 -2.9 11.7 15.1 49 83 E T S S- 0 0 52 -5,-0.1 -6,-2.5 22,-0.0 -5,-0.4 -0.951 78.5-145.3-111.5 111.4 -4.7 15.1 15.0 50 84 E V E +I 42 0B 58 -2,-0.6 -8,-0.3 -8,-0.2 3,-0.1 -0.370 20.8 179.2 -75.8 147.4 -2.6 17.8 13.3 51 85 E L E - 0 0 0 -10,-2.9 19,-2.9 1,-0.4 20,-1.8 0.710 50.4 -87.4-108.2 -59.2 -2.7 21.4 14.6 52 86 E G E -IJ 41 69B 0 -11,-1.2 -11,-2.3 17,-0.3 -1,-0.4 -0.956 41.1 -68.5 175.0-161.5 -0.3 23.1 12.3 53 87 E T E -IJ 40 68B 44 15,-1.6 15,-2.6 -2,-0.3 -13,-0.2 -0.952 47.4 -95.6-128.0 142.9 3.3 24.1 11.6 54 88 E T E + J 0 67B 36 -15,-2.5 13,-0.3 -2,-0.4 3,-0.1 -0.382 35.2 176.6 -56.9 128.0 5.7 26.6 13.2 55 89 E S E + 0 0 62 11,-2.6 2,-0.3 1,-0.4 12,-0.2 0.516 64.9 2.0-107.1 -20.2 5.7 29.9 11.5 56 90 E G E - J 0 66B 17 10,-1.7 10,-2.3 2,-0.0 -1,-0.4 -0.958 54.7-169.1-168.0 152.5 8.1 31.8 13.8 57 91 E S E - J 0 65B 54 -2,-0.3 2,-0.5 8,-0.2 8,-0.3 -0.956 5.4-175.3-152.7 133.5 10.3 31.4 16.9 58 93 E S E + J 0 64B 28 6,-3.1 6,-2.0 -2,-0.3 -26,-0.3 -0.883 25.7 164.4-130.7 97.4 12.1 33.8 19.1 59 94 E F + 0 0 26 -2,-0.5 2,-0.2 4,-0.2 4,-0.1 -0.846 46.4 22.8-161.9 138.6 14.3 32.1 21.8 60 99AE P S S+ 0 0 33 0, 0.0 2,-2.2 0, 0.0 66,-0.2 0.479 123.1 33.1 -78.7-154.2 16.5 32.9 23.7 61 100 E N B S+k 126 0C 97 64,-2.5 66,-2.4 -2,-0.2 2,-0.2 -0.461 135.9 23.9 79.8 -66.7 16.6 36.7 24.3 62 101 E N S S- 0 0 42 -2,-2.2 66,-0.1 64,-0.2 67,-0.0 -0.580 77.9-143.4-104.2-174.6 12.8 36.5 24.0 63 102 E D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.1 108,-0.2 -0.527 53.9 107.0-150.1 74.1 10.6 33.4 24.5 64 103 E Y E + J 0 58B 22 -6,-2.0 -6,-3.1 -33,-0.3 2,-0.3 -0.969 32.1 174.2-146.8 149.2 7.7 33.4 22.1 65 104 E G E -HJ 30 57B 0 -35,-1.9 -35,-2.0 -2,-0.3 2,-0.4 -0.942 16.7-143.9-144.7 168.7 6.8 31.3 18.9 66 105 E I E -HJ 29 56B 3 -10,-2.3 -11,-2.6 -2,-0.3 -10,-1.7 -0.992 5.2-157.2-146.8 137.9 3.7 31.1 16.7 67 106 E V E -HJ 28 54B 0 -39,-2.4 -39,-1.9 -2,-0.4 2,-0.5 -0.990 15.1-135.4-120.8 130.5 2.1 28.2 14.9 68 107 E R E -HJ 27 53B 96 -15,-2.6 -15,-1.6 -2,-0.4 -41,-0.3 -0.673 26.1-121.0 -89.0 124.0 -0.1 28.4 11.9 69 108 E Y E + J 0 52B 16 -43,-2.1 -17,-0.3 -2,-0.5 -43,-0.1 -0.448 35.6 169.2 -64.5 134.8 -3.2 26.3 12.0 70 109 E T + 0 0 65 -19,-2.9 2,-0.6 -2,-0.0 -18,-0.2 0.289 52.9 96.8-119.1 -11.8 -3.4 23.8 9.2 71 110 E N - 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