==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX(SERINE PROTEINASE-INHIBITOR) 21-SEP-89 4SGB . COMPND 2 MOLECULE: SERINE PROTEINASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR M.JAMES,H.GREENBLATT . 236 2 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9800.0 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 . 9 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 39.0 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 . 5 2.1 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 . 13 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 4 4 3 1 3 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 0.000 360.0 360.0 360.0 145.8 13.6 11.0 10.3 2 17 E S > - 0 0 9 74,-0.1 3,-2.1 76,-0.1 14,-0.3 -0.812 360.0 -43.4-143.5-176.6 14.2 7.3 10.6 3 18 E G B 3 S+a 80 0A 0 76,-2.7 78,-0.6 74,-0.3 14,-0.2 -0.255 121.6 20.5 -54.8 128.2 12.9 4.0 12.1 4 19 E G T 3 S+ 0 0 2 12,-3.6 -1,-0.3 1,-0.3 101,-0.2 0.240 88.9 130.3 96.6 -9.3 11.9 4.4 15.7 5 31 E D < - 0 0 46 -3,-2.1 11,-2.7 1,-0.1 -1,-0.3 -0.359 65.6 -92.1 -75.5 156.0 11.4 8.2 15.8 6 32 E A E -C 15 0B 23 9,-0.2 2,-0.4 96,-0.1 9,-0.2 -0.373 38.9-172.4 -68.8 146.7 8.2 9.7 17.2 7 33 E I E -C 14 0B 0 7,-2.0 7,-2.5 -2,-0.1 2,-0.4 -0.988 6.5-158.8-139.6 136.5 5.2 10.4 14.9 8 34 E Y E +CD 13 42B 42 34,-2.8 34,-3.4 -2,-0.4 2,-0.2 -0.932 21.6 145.7-123.3 145.8 2.1 12.2 16.1 9 35 E S E > -C 12 0B 0 3,-2.2 3,-1.5 -2,-0.4 32,-0.1 -0.821 66.2 -76.0-154.9-174.0 -1.5 12.4 14.8 10 38 E S T 3 S+ 0 0 77 30,-0.5 3,-0.1 1,-0.3 28,-0.1 0.733 127.0 63.6 -67.4 -24.1 -5.0 12.7 16.1 11 39 E T T 3 S- 0 0 28 1,-0.3 2,-0.3 23,-0.2 -1,-0.3 0.561 116.7-109.3 -78.8 -7.4 -4.7 9.0 17.2 12 40 E G E < -C 9 0B 2 -3,-1.5 -3,-2.2 215,-0.2 2,-0.4 -0.896 55.6 -30.6 118.8-147.6 -1.9 9.9 19.6 13 41 E R E +CE 8 226B 50 213,-0.9 213,-2.1 -2,-0.3 -5,-0.2 -0.950 57.7 154.5-121.7 133.9 1.8 9.1 19.4 14 42 E a E -C 7 0B 0 -7,-2.5 -7,-2.0 -2,-0.4 2,-0.3 -0.557 39.5-100.0-132.1-168.8 3.5 6.1 17.8 15 43 E S E -C 6 0B 0 126,-2.7 16,-0.4 -9,-0.2 2,-0.2 -0.944 33.2-108.6-122.8 150.2 6.9 5.3 16.3 16 44 E L - 0 0 0 -11,-2.7 -12,-3.6 -2,-0.3 14,-0.2 -0.612 27.5-161.7 -76.5 139.9 7.9 5.3 12.6 17 44AE G - 0 0 0 12,-3.5 2,-0.4 1,-0.3 13,-0.2 0.914 58.0 -26.5 -84.6 -81.9 8.6 1.7 11.4 18 45 E F E -F 29 0B 3 11,-0.5 11,-2.5 -15,-0.1 2,-0.5 -0.988 53.5-120.6-138.9 149.9 10.6 1.9 8.2 19 46 E N E +F 28 0B 3 -2,-0.4 166,-0.8 60,-0.3 2,-0.3 -0.771 45.0 170.8 -86.9 127.9 11.0 4.4 5.4 20 47 E V E -FG 27 184B 0 7,-2.4 7,-2.5 -2,-0.5 2,-0.3 -0.839 12.7-160.3-134.4 169.7 10.0 2.6 2.2 21 48 E R E -FG 26 183B 97 162,-2.4 162,-2.1 -2,-0.3 2,-0.4 -0.966 23.3-146.3-153.6 168.4 9.4 3.7 -1.4 22 48AE S E > S-F 25 0B 57 3,-2.3 3,-2.9 -2,-0.3 2,-0.3 -0.954 80.1 -53.5-138.6 104.3 7.8 2.9 -4.8 23 48BE G T 3 S- 0 0 51 -2,-0.4 159,-0.0 1,-0.3 0, 0.0 -0.354 125.2 -16.5 61.6-115.5 10.1 4.2 -7.5 24 48CE S T 3 S+ 0 0 102 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.231 116.3 100.9-103.0 13.5 10.6 7.9 -6.6 25 49 E T E < -F 22 0B 67 -3,-2.9 -3,-2.3 43,-0.0 2,-0.3 -0.910 59.5-149.2-107.4 126.8 7.6 8.1 -4.1 26 50 E Y E +F 21 0B 78 -2,-0.5 43,-2.1 -5,-0.2 2,-0.3 -0.748 23.4 155.9-102.6 143.5 8.3 7.8 -0.4 27 51 E Y E -FH 20 68B 49 -7,-2.5 -7,-2.4 -2,-0.3 2,-0.3 -0.833 27.3-133.7-144.8 173.9 6.2 6.5 2.5 28 52 E F E -FH 19 67B 0 39,-1.9 39,-2.6 -2,-0.3 2,-0.3 -0.973 14.1-137.3-137.2 149.9 6.7 5.1 6.0 29 53 E L E +FH 18 66B 0 -11,-2.5 -12,-3.5 -2,-0.3 -11,-0.5 -0.738 31.1 153.9-105.2 150.6 5.2 2.1 7.6 30 54 E T E - H 0 65B 0 35,-2.1 35,-2.0 -2,-0.3 112,-0.2 -0.840 51.5 -52.0-157.4-176.9 3.9 2.0 11.2 31 55 E A >> - 0 0 0 -16,-0.4 4,-1.4 -2,-0.3 3,-0.5 -0.393 39.3-134.0 -69.4 148.0 1.3 -0.0 13.2 32 56 E G H 3> S+ 0 0 0 26,-0.3 4,-1.8 1,-0.2 27,-0.2 0.823 106.9 60.9 -68.6 -33.2 -2.2 -0.4 11.8 33 57 E H H 34 S+ 0 0 19 1,-0.2 -1,-0.2 2,-0.2 26,-0.1 0.753 106.7 47.4 -67.2 -24.9 -3.7 0.4 15.2 34 58 E a H <4 S+ 0 0 1 -3,-0.5 -2,-0.2 1,-0.1 -1,-0.2 0.873 114.8 44.3 -81.8 -35.1 -1.9 3.8 15.0 35 59 E T H >< S+ 0 0 2 -4,-1.4 3,-2.3 2,-0.1 2,-0.4 0.681 84.5 109.3 -83.2 -20.0 -3.1 4.6 11.4 36 59AE D T 3< S- 0 0 92 -4,-1.8 3,-0.1 1,-0.3 29,-0.0 -0.409 100.5 -4.7 -61.8 110.2 -6.7 3.5 12.1 37 59BE G T 3 S+ 0 0 64 -2,-0.4 -1,-0.3 1,-0.3 2,-0.3 0.500 105.7 120.6 81.0 3.9 -8.6 6.7 12.0 38 60 E A < + 0 0 7 -3,-2.3 -1,-0.3 1,-0.2 3,-0.1 -0.711 30.8 172.6 -96.9 157.4 -5.6 9.1 11.6 39 61 E T + 0 0 101 1,-0.5 15,-2.8 -2,-0.3 2,-0.2 0.615 62.7 33.9-120.1 -81.3 -5.3 11.4 8.6 40 62 E T E - I 0 53B 38 13,-0.2 -30,-0.5 11,-0.0 -1,-0.5 -0.609 65.8-156.1 -84.4 142.7 -2.3 13.8 9.0 41 64 E W E - I 0 52B 0 11,-2.2 10,-2.8 -2,-0.2 11,-1.0 -0.929 7.9-164.3-115.4 140.9 1.0 12.8 10.7 42 65 E W E -DI 8 50B 60 -34,-3.4 -34,-2.8 -2,-0.4 8,-0.2 -0.906 22.1-139.5-126.8 154.4 3.4 15.4 12.3 43 66 E A S S+ 0 0 28 6,-2.9 2,-0.3 -2,-0.3 7,-0.1 0.515 83.5 50.3 -86.8 -9.8 7.0 15.0 13.3 44 67 E N S > S- 0 0 40 5,-0.4 3,-1.2 -36,-0.1 5,-0.2 -0.917 80.1-120.9-133.7 156.3 6.7 17.1 16.5 45 68 E S T 3 S+ 0 0 78 -2,-0.3 -1,-0.1 1,-0.3 -38,-0.0 0.772 114.4 61.3 -63.0 -26.1 4.4 17.2 19.6 46 69 E A T 3 S- 0 0 72 1,-0.0 -1,-0.3 -3,-0.0 -3,-0.0 0.710 103.9-137.2 -69.1 -17.7 3.6 20.8 18.6 47 80 E R < + 0 0 89 -3,-1.2 -2,-0.1 2,-0.1 3,-0.1 0.939 69.1 118.9 61.9 52.1 2.2 19.4 15.4 48 81 E T + 0 0 111 1,-0.2 2,-0.7 2,-0.0 -3,-0.1 0.512 55.3 71.1-118.5 -14.3 3.7 22.1 13.2 49 82 E T S S- 0 0 56 -5,-0.2 -6,-2.9 22,-0.0 -5,-0.4 -0.932 77.4-147.6-110.4 107.7 6.0 19.9 11.1 50 83 E V E +I 42 0B 54 -2,-0.7 -8,-0.2 -8,-0.2 3,-0.1 -0.402 21.5 177.9 -74.7 144.0 3.9 17.9 8.7 51 84 E L E - 0 0 0 -10,-2.8 19,-2.1 1,-0.4 20,-1.6 0.797 50.2 -80.3-105.6 -57.1 5.0 14.5 7.6 52 85 E G E -IJ 41 69B 0 -11,-1.0 -11,-2.2 17,-0.3 -1,-0.4 -0.951 44.5 -72.4 175.2-165.1 2.3 13.1 5.3 53 87 E T E -IJ 40 68B 43 15,-1.9 15,-2.9 -2,-0.3 -13,-0.2 -0.966 46.3 -96.6-127.2 142.3 -1.2 11.5 5.2 54 88 E T E + J 0 67B 36 -15,-2.8 13,-0.3 -2,-0.4 3,-0.1 -0.317 37.2 175.0 -56.6 132.2 -2.4 8.0 5.9 55 88AE S E + 0 0 62 11,-3.5 2,-0.3 1,-0.4 12,-0.2 0.638 63.5 3.8-115.2 -19.9 -2.6 5.9 2.8 56 89 E G E - J 0 66B 16 10,-1.8 10,-2.2 2,-0.0 -1,-0.4 -0.976 54.2-174.4-163.5 155.3 -3.6 2.5 4.2 57 90 E S E - J 0 65B 47 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.958 3.1-176.2-155.6 132.3 -4.4 0.7 7.5 58 91 E S E + J 0 64B 29 6,-2.9 6,-2.2 -2,-0.3 -26,-0.3 -0.916 23.6 166.4-137.0 102.3 -5.0 -2.9 8.3 59 94 E F + 0 0 30 -2,-0.4 2,-0.2 4,-0.2 4,-0.1 -0.833 45.5 25.9-166.3 137.9 -6.0 -3.6 11.9 60 95 E P S S+ 0 0 40 0, 0.0 2,-1.9 0, 0.0 66,-0.2 0.587 121.2 34.6 -79.4-153.6 -7.1 -5.8 13.6 61 100 E N B S+k 126 0C 96 64,-2.3 66,-2.8 -2,-0.2 2,-0.2 -0.490 135.4 22.4 82.7 -60.1 -6.3 -9.3 12.0 62 101 E N S S- 0 0 34 -2,-1.9 2,-0.1 64,-0.2 66,-0.1 -0.646 77.7-140.1-117.1-179.9 -3.0 -7.7 10.9 63 102 E D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.1 108,-0.2 -0.537 53.4 111.9-147.8 71.8 -1.3 -4.7 12.4 64 103 E Y E + J 0 58B 21 -6,-2.2 -6,-2.9 -33,-0.3 2,-0.3 -0.979 29.4 171.7-146.3 154.9 0.2 -2.5 9.6 65 104 E G E -HJ 30 57B 0 -35,-2.0 -35,-2.1 -2,-0.3 2,-0.4 -0.964 15.6-146.7-158.6 158.9 -0.3 0.9 8.1 66 105 E I E -HJ 29 56B 5 -10,-2.2 -11,-3.5 -2,-0.3 -10,-1.8 -0.995 3.6-160.9-138.6 144.0 1.4 3.3 5.6 67 106 E V E -HJ 28 54B 0 -39,-2.6 -39,-1.9 -2,-0.4 2,-0.5 -0.990 17.9-134.2-126.3 129.2 1.6 7.0 5.4 68 107 E R E -HJ 27 53B 117 -15,-2.9 -15,-1.9 -2,-0.4 -41,-0.3 -0.744 25.4-121.4 -87.4 124.0 2.5 8.9 2.2 69 108 E Y E + J 0 52B 20 -43,-2.1 -17,-0.3 -2,-0.5 -43,-0.2 -0.447 34.7 169.8 -68.6 134.5 5.1 11.7 2.7 70 109 E T + 0 0 64 -19,-2.1 2,-0.8 -2,-0.2 -18,-0.2 0.447 56.7 90.9-115.7 -12.2 3.9 15.1 1.6 71 110 E N - 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