==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE INHIBITOR 19-SEP-91 2BBI . 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) . 6024.0 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 . 0 0.0 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 . 2 2.8 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 . 7 9.9 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+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 . 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 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 0 176 0, 0.0 3,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 118.0 9.4 2.1 -1.6 2 2 A D + 0 0 144 1,-0.3 4,-0.1 0, 0.0 0, 0.0 0.442 360.0 4.0-111.4-109.9 10.0 5.4 -3.3 3 3 A E S S- 0 0 139 1,-0.1 3,-0.3 2,-0.1 -1,-0.3 0.028 86.6 -90.2 -68.7-175.1 12.8 6.2 -5.8 4 4 A S S S+ 0 0 111 1,-0.2 -1,-0.1 -3,-0.1 0, 0.0 0.402 106.5 96.0 -80.3 5.9 15.3 3.6 -7.0 5 5 A S + 0 0 99 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.074 55.0 160.4 -83.5 28.5 17.5 4.5 -4.1 6 6 A K - 0 0 111 -3,-0.3 2,-0.8 1,-0.2 29,-0.1 -0.213 54.5-100.0 -50.4 136.2 16.1 1.6 -2.1 7 7 A P - 0 0 66 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.450 53.2-176.7 -63.5 103.6 18.5 0.7 0.8 8 8 A a - 0 0 39 -2,-0.8 2,-0.3 -3,-0.1 51,-0.1 -0.014 6.3-146.1 -86.8-163.0 20.3 -2.4 -0.6 9 9 A b - 0 0 0 51,-0.5 53,-1.7 1,-0.1 3,-0.1 -0.923 27.8-172.5-155.8-179.0 22.8 -4.5 1.1 10 10 A D S S+ 0 0 110 1,-0.6 2,-0.2 -2,-0.3 -1,-0.1 0.382 76.9 36.9-145.1 -55.3 25.9 -6.7 0.9 11 11 A Q - 0 0 81 16,-0.1 14,-2.9 50,-0.0 -1,-0.6 -0.686 65.1-159.6-105.3 160.9 26.6 -8.5 4.2 12 12 A c E +A 24 0A 75 12,-0.3 2,-0.3 -2,-0.2 12,-0.2 -0.982 16.2 161.9-146.4 133.2 23.9 -9.9 6.6 13 13 A A E -A 23 0A 47 10,-1.3 10,-1.9 -2,-0.4 2,-0.3 -0.937 8.7-177.3-153.0 126.7 24.0 -10.8 10.3 14 14 A d E -A 22 0A 74 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.863 12.5-146.2-124.1 159.6 21.2 -11.3 12.8 15 15 A T E -A 21 0A 66 6,-1.5 6,-1.7 -2,-0.3 2,-1.0 -0.944 26.9-110.7-124.8 145.4 21.0 -12.1 16.5 16 16 A K + 0 0 196 -2,-0.4 2,-0.1 4,-0.2 6,-0.0 -0.613 64.2 129.3 -77.0 103.2 18.4 -14.2 18.4 17 17 A S - 0 0 46 -2,-1.0 -1,-0.0 4,-0.1 0, 0.0 -0.205 65.5 -65.6-127.2-141.5 16.5 -11.7 20.5 18 18 A N S S+ 0 0 165 1,-1.2 -2,-0.0 -2,-0.1 3,-0.0 -0.569 135.0 8.6-160.9 91.2 12.8 -11.0 21.1 19 19 A P S S- 0 0 98 0, 0.0 -1,-1.2 0, 0.0 0, 0.0 0.634 118.0-110.6 -69.6 164.5 11.8 -10.0 18.5 20 20 A P - 0 0 76 0, 0.0 2,-0.3 0, 0.0 -4,-0.2 -0.124 29.6-134.9 -59.0 158.7 15.1 -11.0 16.7 21 21 A Q E -A 15 0A 95 -6,-1.7 -6,-1.5 35,-0.0 2,-0.3 -0.754 15.7-164.1-113.0 162.1 17.3 -8.1 15.5 22 22 A d E -AB 14 55A 11 33,-1.2 33,-3.2 -2,-0.3 2,-0.6 -0.771 8.5-174.8-156.0 109.9 19.0 -7.9 12.2 23 23 A R E -A 13 0A 80 -10,-1.9 -10,-1.3 -2,-0.3 3,-0.3 -0.893 15.4-178.8-105.4 121.2 21.8 -5.6 11.1 24 24 A b E +A 12 0A 3 -2,-0.6 -12,-0.3 29,-0.3 27,-0.1 -0.627 61.8 35.1-111.4 172.8 22.8 -5.8 7.4 25 25 A S S S+ 0 0 8 -14,-2.9 26,-0.4 -2,-0.2 -1,-0.2 0.916 78.3 170.2 48.9 40.4 25.4 -4.1 5.4 26 26 A D + 0 0 24 -3,-0.3 25,-1.5 24,-0.1 2,-0.2 0.953 49.4 10.5 -47.0 -81.8 27.4 -4.3 8.6 27 27 A M E -C 50 0B 96 23,-0.2 2,-0.3 2,-0.0 23,-0.2 -0.662 57.8-177.5-106.8 162.3 30.9 -3.3 7.6 28 28 A R E -C 49 0B 44 21,-1.4 2,-1.7 -2,-0.2 21,-1.5 -0.889 26.6-140.3-158.2 122.1 32.5 -1.7 4.5 29 29 A L S S+ 0 0 128 -2,-0.3 18,-0.2 19,-0.2 19,-0.2 -0.145 95.5 26.7 -78.3 47.1 36.1 -0.9 3.8 30 30 A N S S- 0 0 100 -2,-1.7 2,-0.3 16,-0.1 18,-0.2 -0.136 111.8 -46.4-161.3 -97.4 35.2 2.4 2.2 31 31 A S - 0 0 58 16,-0.1 18,-0.1 18,-0.1 -2,-0.1 -0.989 38.0-135.6-158.3 150.3 32.1 4.5 2.8 32 32 A e - 0 0 27 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.328 24.7-131.2 -84.0-142.0 28.4 4.0 3.3 33 33 A H > - 0 0 84 0, 0.0 3,-0.5 0, 0.0 6,-0.2 -0.818 33.3 -79.2-155.8-165.2 25.6 6.2 1.8 34 34 A S T 3 S+ 0 0 127 -2,-0.2 -2,-0.0 1,-0.2 0, 0.0 0.006 103.9 87.1 -99.8 29.9 22.4 8.0 2.6 35 35 A A T 3 S+ 0 0 28 -29,-0.1 -1,-0.2 -27,-0.0 2,-0.1 0.435 81.4 61.4-105.9 -1.0 20.3 4.9 2.6 36 36 A f S < S- 0 0 34 -3,-0.5 3,-0.1 1,-0.1 15,-0.0 -0.109 87.7-110.8-104.4-155.5 20.9 3.9 6.2 37 37 A K S S- 0 0 161 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.805 91.0 -14.4-104.1 -60.5 20.1 5.6 9.4 38 38 A S - 0 0 76 -3,-0.0 14,-1.6 2,-0.0 2,-0.5 -0.872 64.8-164.6-151.7 110.6 23.4 6.6 10.8 39 39 A e E -D 51 0B 41 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.862 12.2-142.7-104.3 132.0 26.7 5.3 9.6 40 40 A I E -D 50 0B 95 10,-1.8 10,-2.7 -2,-0.5 2,-0.4 -0.641 26.5-176.5 -85.8 144.5 29.8 5.6 11.5 41 41 A g E -D 49 0B 61 -2,-0.3 2,-0.8 8,-0.2 8,-0.2 -0.981 30.1-148.3-153.6 141.9 33.0 6.3 9.5 42 42 A A E -D 48 0B 43 6,-2.7 6,-1.4 -2,-0.4 2,-1.2 -0.875 10.4-160.9-103.9 101.9 36.7 6.7 9.8 43 43 A L + 0 0 167 -2,-0.8 2,-0.4 4,-0.2 4,-0.1 0.024 62.8 104.0 -73.0 35.4 37.9 9.0 7.1 44 44 A S S S- 0 0 72 -2,-1.2 -2,-0.1 2,-0.2 4,-0.0 -0.902 81.3 -70.0-118.5 146.5 41.3 7.6 7.7 45 45 A Y S S+ 0 0 220 -2,-0.4 -2,-0.1 1,-0.2 3,-0.0 -0.626 126.1 43.6 -79.0 133.3 43.2 5.1 5.5 46 46 A P S S- 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.274 105.4-137.2 -73.5 121.7 42.3 2.3 5.3 47 47 A A - 0 0 28 -18,-0.2 2,-0.3 -4,-0.1 -4,-0.2 -0.038 27.5-173.7 -43.3 147.1 38.9 4.0 5.1 48 48 A Q E + D 0 42B 60 -6,-1.4 -6,-2.7 -18,-0.2 2,-0.3 -0.999 11.0 177.4-149.6 147.3 36.2 2.3 7.2 49 49 A g E -CD 28 41B 4 -21,-1.5 -21,-1.4 -2,-0.3 2,-0.3 -0.990 6.9-168.3-149.7 157.4 32.5 2.5 7.7 50 50 A F E -CD 27 40B 75 -10,-2.7 -10,-1.8 -2,-0.3 2,-0.6 -0.998 16.7-141.0-146.5 148.7 29.7 0.9 9.6 51 51 A f E - D 0 39B 0 -25,-1.5 -12,-0.2 -26,-0.4 -2,-0.0 -0.920 9.2-172.4-112.5 109.7 25.9 1.1 9.6 52 52 A V + 0 0 66 -14,-1.6 2,-0.2 -2,-0.6 -13,-0.1 0.396 51.5 118.8 -81.3 8.2 24.3 0.9 13.1 53 53 A D - 0 0 18 -15,-0.2 2,-0.4 -29,-0.1 -29,-0.3 -0.479 45.3-170.3 -73.5 142.8 21.0 0.7 11.4 54 54 A I + 0 0 50 -31,-0.2 -31,-0.2 -2,-0.2 2,-0.2 -0.987 11.5 171.1-138.0 147.7 19.0 -2.5 12.2 55 55 A T B -B 22 0A 11 -33,-3.2 -33,-1.2 -2,-0.4 0, 0.0 -0.560 39.6-109.2-133.4-162.8 15.9 -4.1 10.8 56 56 A D S S+ 0 0 100 -2,-0.2 -33,-0.1 -35,-0.2 -35,-0.0 0.018 105.1 34.5-126.7 28.5 14.0 -7.4 11.2 57 57 A F S S- 0 0 143 -35,-0.3 -34,-0.1 3,-0.0 -43,-0.0 0.390 96.6-117.5-157.7 -2.8 14.5 -9.0 7.8 58 58 A c - 0 0 23 -36,-0.3 -35,-0.1 -45,-0.1 -49,-0.1 0.867 35.5-104.2 58.0 104.6 18.0 -8.2 6.4 59 59 A Y - 0 0 50 -51,-0.1 -34,-0.2 1,-0.1 -49,-0.1 -0.269 44.3 -99.8 -57.1 144.6 17.7 -6.2 3.2 60 60 A E - 0 0 112 1,-0.1 -51,-0.5 -51,-0.1 -1,-0.1 -0.243 48.0 -85.1 -65.1 156.2 18.5 -8.4 0.2 61 61 A P - 0 0 93 0, 0.0 -51,-0.2 0, 0.0 -1,-0.1 -0.013 57.9 -86.5 -53.7 166.4 22.0 -8.1 -1.4 62 62 A a S S+ 0 0 56 -53,-1.7 -52,-0.0 -54,-0.1 0, 0.0 -0.282 101.6 48.7 -75.6 164.8 22.5 -5.4 -3.9 63 63 A K S S- 0 0 182 -3,-0.1 -1,-0.1 -2,-0.0 0, 0.0 0.996 76.8-155.7 69.8 68.7 21.8 -5.8 -7.6 64 64 A P - 0 0 109 0, 0.0 2,-0.3 0, 0.0 6,-0.1 -0.090 14.8-179.5 -67.3 171.2 18.2 -7.2 -7.5 65 65 A S - 0 0 38 4,-0.1 4,-0.4 1,-0.1 3,-0.2 -0.857 34.5-142.8-174.0 136.5 16.8 -9.2 -10.4 66 66 A E S S+ 0 0 148 -2,-0.3 4,-0.3 1,-0.2 5,-0.1 0.558 98.9 67.9 -81.8 -6.2 13.5 -10.9 -11.2 67 67 A D S S+ 0 0 132 2,-0.1 -1,-0.2 4,-0.1 3,-0.1 0.890 100.4 45.8 -79.7 -40.0 15.3 -13.8 -12.9 68 68 A D S S- 0 0 138 -3,-0.2 2,-0.3 1,-0.1 -2,-0.1 0.929 128.1 -42.9 -66.1 -94.8 16.9 -15.1 -9.7 69 69 A K S S+ 0 0 179 -4,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.848 86.6 110.9-146.8 107.4 14.3 -15.4 -7.0 70 70 A E 0 0 82 -4,-0.3 -1,-0.1 -2,-0.3 -4,-0.1 0.170 360.0 360.0-161.3 21.9 11.7 -12.7 -6.3 71 71 A N 0 0 219 -3,-0.1 -2,-0.1 -5,-0.1 -4,-0.1 0.912 360.0 360.0 47.9 360.0 8.4 -14.1 -7.3