==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 19-SEP-91 1BBI . COMPND 2 MOLECULE: TRYPSIN/CHYMOTRYPSIN BOWMAN-BIRK INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR M.H.WERNER,D.E.WEMMER . 71 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6210.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 26 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 21.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 1.4 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 . 5 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 2.8 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+4), 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 . 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 1 A D 0 0 183 0, 0.0 2,-1.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -26.7 14.3 6.4 -11.8 2 2 A D > + 0 0 109 1,-0.2 3,-0.7 2,-0.1 4,-0.3 -0.527 360.0 146.5 -90.7 71.9 16.7 6.6 -8.9 3 3 A E T 3 + 0 0 152 -2,-1.5 -1,-0.2 1,-0.2 0, 0.0 0.354 58.8 76.8 -87.2 8.2 17.4 2.9 -8.5 4 4 A S T 3 S+ 0 0 116 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.652 93.5 48.5 -90.3 -16.0 20.9 3.7 -7.4 5 5 A S S < S+ 0 0 59 -3,-0.7 29,-0.2 2,-0.1 -1,-0.2 0.592 77.5 126.3 -96.8 -13.5 19.9 4.8 -3.9 6 6 A K - 0 0 152 -4,-0.3 29,-0.1 1,-0.1 -3,-0.0 -0.217 70.0-113.4 -46.4 120.8 17.8 1.7 -3.4 7 7 A P + 0 0 66 0, 0.0 53,-0.3 0, 0.0 2,-0.2 -0.261 46.7 170.3 -59.0 146.6 19.1 0.2 -0.1 8 8 A a - 0 0 26 51,-0.1 2,-0.3 -3,-0.1 51,-0.2 -0.458 18.5-130.4-135.0-151.1 20.7 -3.1 -0.4 9 9 A b B +a 61 0A 2 51,-0.5 53,-1.8 -2,-0.2 3,-0.1 -0.994 22.6 170.4-165.4 166.5 22.8 -5.6 1.5 10 10 A D S S+ 0 0 70 -2,-0.3 2,-0.9 51,-0.2 -1,-0.1 0.276 79.6 30.0-143.9 -76.6 25.9 -7.8 1.6 11 11 A Q S S- 0 0 118 16,-0.2 15,-1.0 50,-0.0 14,-0.6 -0.826 76.1-170.8 -99.0 101.5 26.7 -9.5 4.9 12 12 A c E +B 24 0B 61 -2,-0.9 2,-0.3 12,-0.2 12,-0.2 -0.636 9.7 168.3 -93.3 151.7 23.4 -10.0 6.6 13 13 A A E -B 23 0B 54 10,-1.7 10,-1.4 -2,-0.2 2,-0.4 -0.972 17.6-152.9-160.8 144.8 23.1 -11.2 10.2 14 14 A d E -B 22 0B 77 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.946 11.7-138.8-125.6 145.5 20.3 -11.5 12.9 15 15 A T E -B 21 0B 74 6,-1.7 6,-1.6 -2,-0.4 2,-0.7 -0.762 34.6 -99.2-100.8 145.9 20.5 -11.4 16.7 16 16 A K S S+ 0 0 207 -2,-0.3 2,-0.2 4,-0.2 -1,-0.0 -0.463 74.4 119.3 -64.9 106.5 18.4 -13.7 18.9 17 17 A S - 0 0 60 -2,-0.7 -3,-0.0 4,-0.1 0, 0.0 -0.816 66.5 -82.8-151.0-169.5 15.5 -11.6 20.0 18 18 A N S S+ 0 0 155 1,-0.7 -2,-0.0 -2,-0.2 3,-0.0 -0.707 129.5 16.6-151.8 97.3 11.7 -11.4 19.8 19 19 A P S S- 0 0 96 0, 0.0 -1,-0.7 0, 0.0 0, 0.0 0.586 120.5-112.2 -64.6 164.4 11.0 -10.2 17.2 20 20 A P - 0 0 74 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 -0.260 26.4-127.9 -65.2 154.1 14.5 -11.0 16.0 21 21 A Q E -B 15 0B 88 -6,-1.6 -6,-1.7 36,-0.0 2,-0.3 -0.721 23.4-165.8-101.0 154.9 16.9 -8.1 15.3 22 22 A d E +BC 14 55B 8 33,-1.3 33,-3.1 -2,-0.3 36,-0.3 -0.819 14.0 171.9-154.1 115.2 18.7 -7.8 12.0 23 23 A R E +B 13 0B 85 -10,-1.4 -10,-1.7 -2,-0.3 2,-0.3 -0.806 14.1 179.9-111.4 152.6 21.6 -5.6 10.9 24 24 A b E +B 12 0B 5 29,-0.4 -12,-0.2 -2,-0.3 27,-0.1 -0.872 54.6 44.9-144.5 178.9 23.4 -6.0 7.5 25 25 A S - 0 0 14 -14,-0.6 26,-0.2 -2,-0.3 -1,-0.2 0.918 69.2-179.5 47.9 42.2 26.2 -4.6 5.4 26 26 A D + 0 0 26 -15,-1.0 25,-1.4 -3,-0.2 2,-0.3 0.900 56.0 23.7 -37.6 -73.2 28.1 -4.7 8.6 27 27 A M E -D 50 0C 116 23,-0.2 2,-0.4 2,-0.0 23,-0.2 -0.676 63.7-168.1-103.2 158.1 31.4 -3.3 7.4 28 28 A R E -D 49 0C 33 21,-1.7 21,-1.4 -2,-0.3 2,-0.2 -0.990 21.1-145.7-143.4 129.9 32.2 -1.1 4.4 29 29 A L S S+ 0 0 123 -2,-0.4 18,-0.3 19,-0.2 19,-0.1 -0.041 96.3 13.6 -86.8 36.6 35.6 -0.2 2.9 30 30 A N S S- 0 0 121 -2,-0.2 2,-0.3 16,-0.1 18,-0.2 -0.085 112.8 -53.8-162.7 -88.3 34.5 3.2 2.1 31 31 A S - 0 0 70 16,-0.1 18,-0.1 18,-0.1 -2,-0.1 -0.940 44.4-102.3-160.5 179.7 31.3 4.8 3.4 32 32 A e - 0 0 35 -2,-0.3 2,-0.1 1,-0.1 19,-0.0 -0.089 25.8-139.7 -98.3-159.5 27.5 4.3 3.7 33 33 A H - 0 0 79 -2,-0.1 3,-0.5 -28,-0.0 -1,-0.1 -0.352 50.5 -52.6-137.4-142.0 24.6 5.7 1.9 34 34 A S S S+ 0 0 93 -29,-0.2 3,-0.1 1,-0.2 -29,-0.0 -0.130 116.3 71.8-100.2 39.6 21.0 7.0 2.7 35 35 A A S S+ 0 0 24 1,-0.2 2,-0.3 -29,-0.1 -1,-0.2 0.096 81.7 71.7-137.6 23.3 19.9 3.9 4.7 36 36 A f > + 0 0 18 -3,-0.5 3,-0.6 1,-0.1 -1,-0.2 -0.823 43.9 175.2-144.7 100.5 22.0 4.2 7.9 37 37 A K T 3 S+ 0 0 197 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.826 86.6 44.8 -73.7 -31.1 21.1 6.9 10.4 38 38 A S T 3 S+ 0 0 70 2,-0.0 14,-1.7 0, 0.0 2,-0.4 -0.549 80.0 150.1-112.3 64.7 23.6 5.7 12.8 39 39 A e E < -E 51 0C 40 -3,-0.6 2,-0.4 -2,-0.5 12,-0.2 -0.828 32.3-150.6-101.5 136.0 26.7 5.0 10.6 40 40 A I E -E 50 0C 95 10,-1.8 10,-2.8 -2,-0.4 2,-0.4 -0.825 18.0-177.9-102.1 140.1 30.2 5.4 11.9 41 41 A g E -E 49 0C 63 -2,-0.4 2,-0.8 8,-0.2 8,-0.2 -0.979 23.4-153.4-147.6 135.6 33.0 6.4 9.6 42 42 A A E -E 48 0C 42 6,-3.2 2,-1.9 -2,-0.4 6,-1.5 -0.880 21.2-141.4-104.1 104.2 36.7 6.9 9.8 43 43 A L + 0 0 176 -2,-0.8 2,-0.2 4,-0.2 4,-0.1 -0.457 61.0 108.7 -67.3 87.2 37.9 9.4 7.2 44 44 A S S S- 0 0 64 -2,-1.9 3,-0.3 4,-0.1 -2,-0.0 -0.712 71.0 -71.7-143.2-166.0 41.1 7.6 6.3 45 45 A Y S S+ 0 0 233 1,-0.5 2,-0.1 -2,-0.2 -2,-0.0 -0.880 127.5 28.2-147.9 112.7 42.8 5.7 3.6 46 46 A P S S- 0 0 97 0, 0.0 -1,-0.5 0, 0.0 -16,-0.1 0.375 113.0-135.1 -64.0 134.3 41.8 2.9 3.1 47 47 A A - 0 0 20 -3,-0.3 2,-0.4 -18,-0.3 -4,-0.2 -0.097 17.8-151.9 -58.2 161.8 38.6 4.4 4.5 48 48 A Q E + E 0 42C 126 -6,-1.5 -6,-3.2 -18,-0.2 2,-0.3 -1.000 19.4 163.3-140.6 137.3 36.7 2.5 7.2 49 49 A g E -DE 28 41C 8 -21,-1.4 -21,-1.7 -2,-0.4 2,-0.3 -0.987 14.5-165.9-152.1 163.2 33.0 2.5 8.0 50 50 A F E -DE 27 40C 76 -10,-2.8 -10,-1.8 -2,-0.3 2,-0.5 -0.981 12.5-146.7-147.7 157.9 30.2 0.7 9.8 51 51 A f E + E 0 39C 10 -25,-1.4 -12,-0.2 -2,-0.3 -27,-0.1 -0.933 16.0 172.5-129.9 109.1 26.4 0.7 10.0 52 52 A V + 0 0 61 -14,-1.7 -13,-0.1 -2,-0.5 -1,-0.1 0.541 43.0 120.0 -92.8 -5.4 24.8 -0.1 13.3 53 53 A D - 0 0 53 -15,-0.3 -29,-0.4 -29,-0.1 2,-0.3 -0.171 51.2-152.4 -53.3 154.1 21.3 0.7 12.1 54 54 A I - 0 0 67 -31,-0.1 -31,-0.2 4,-0.0 2,-0.2 -0.976 17.7-179.1-137.1 150.6 18.9 -2.3 12.3 55 55 A T B -C 22 0B 10 -33,-3.1 -33,-1.3 -2,-0.3 0, 0.0 -0.654 32.8-120.2-130.1-173.8 15.9 -3.6 10.6 56 56 A D S S+ 0 0 110 -2,-0.2 -33,-0.1 -35,-0.2 -35,-0.0 0.040 102.8 35.5-122.0 26.2 13.5 -6.6 10.9 57 57 A F S S- 0 0 144 -35,-0.3 -34,-0.1 3,-0.0 -36,-0.0 0.409 94.7-123.2-153.3 -6.5 13.9 -8.2 7.4 58 58 A c - 0 0 26 -36,-0.3 -49,-0.1 -45,-0.1 -35,-0.1 0.878 34.1-108.0 55.4 103.0 17.5 -7.8 6.2 59 59 A Y - 0 0 65 -51,-0.2 -51,-0.1 1,-0.1 3,-0.1 0.171 43.5 -86.2 -47.9 178.7 17.5 -6.0 2.9 60 60 A E - 0 0 159 -53,-0.3 -51,-0.5 1,-0.2 -1,-0.1 -0.658 53.4 -80.3 -94.8 153.5 18.4 -8.0 -0.3 61 61 A P B -a 9 0A 111 0, 0.0 -51,-0.2 0, 0.0 -1,-0.2 0.087 50.0-129.6 -43.3 157.5 21.9 -8.6 -1.6 62 62 A a + 0 0 43 -53,-1.8 -52,-0.0 -54,-0.2 -54,-0.0 0.080 68.8 92.1 -94.6-153.4 23.5 -5.7 -3.5 63 63 A K - 0 0 106 6,-0.0 -1,-0.1 -2,-0.0 -53,-0.0 0.994 61.4-161.4 63.0 65.9 25.2 -5.5 -6.9 64 64 A P + 0 0 93 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.436 52.6 61.7 -56.1-155.7 22.2 -4.6 -9.0 65 65 A S S S- 0 0 104 4,-0.0 4,-0.0 0, 0.0 3,-0.0 -0.382 108.7 -5.4 68.1-146.3 22.1 -5.1 -12.8 66 66 A E S S- 0 0 142 -2,-0.1 3,-0.0 2,-0.0 0, 0.0 0.285 95.1 -80.8 -61.0-158.9 22.5 -8.6 -14.0 67 67 A D S S- 0 0 131 2,-0.1 -1,-0.0 0, 0.0 0, 0.0 0.633 94.4 -0.3 -78.6-121.3 23.3 -11.4 -11.5 68 68 A D - 0 0 107 1,-0.1 -2,-0.0 2,-0.0 -5,-0.0 0.210 57.6-174.9 -53.6-171.8 26.9 -11.9 -10.3 69 69 A K + 0 0 171 -4,-0.0 -1,-0.1 -3,-0.0 -2,-0.1 0.325 69.2 28.4-154.1 -55.5 29.7 -9.7 -11.5 70 70 A E 0 0 165 1,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.952 360.0 360.0 -82.7 -76.9 33.1 -10.6 -10.3 71 71 A N 0 0 176 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 0.917 360.0 360.0 -55.7 360.0 33.2 -14.3 -9.7