==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER INHIBITOR 21-AUG-02 1H34 . COMPND 2 MOLECULE: BOWMAN-BIRK TYPE PROTEINASE INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: PHASEOLUS LUNATUS; . AUTHOR J.E.DEBRECZENI,G.BUNKOCZI,B.GIRMANN,G.M.SHELDRICK . 57 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4089.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 27 47.4 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 . 14 24.6 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 . 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 . 10 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 1.8 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 . 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 0 3 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 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 16 A K 0 0 172 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 111.6 14.4 73.2 12.3 2 17 A P + 0 0 29 0, 0.0 53,-0.4 0, 0.0 2,-0.3 -0.556 360.0 122.7 -84.8 108.5 17.5 71.0 12.5 3 18 A a - 0 0 22 -2,-0.8 2,-0.3 51,-0.2 25,-0.2 -0.932 36.9-157.1-150.0 165.0 17.5 68.0 10.2 4 19 A b - 0 0 5 51,-2.2 3,-0.2 -2,-0.3 53,-0.1 -0.967 10.4-166.7-150.0 130.4 19.8 66.8 7.5 5 20 A D S S+ 0 0 109 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.805 86.0 30.8 -90.8 -29.8 19.1 64.5 4.6 6 21 A H S S- 0 0 104 2,-0.0 14,-2.4 50,-0.0 15,-0.5 -0.890 70.2-178.9-129.6 110.5 22.6 63.8 3.6 7 22 A c E -A 19 0A 39 -2,-0.5 2,-0.5 12,-0.2 12,-0.2 -0.886 10.1-160.0-105.9 133.9 25.4 63.9 6.2 8 23 A S E +A 18 0A 53 10,-2.7 10,-2.7 -2,-0.4 2,-0.3 -0.967 15.8 179.3-109.4 127.6 29.1 63.3 5.3 9 24 A d E -A 17 0A 59 -2,-0.5 8,-0.3 8,-0.3 2,-0.1 -0.957 27.5-122.3-127.2 141.4 31.5 62.2 8.2 10 25 A T - 0 0 60 6,-2.3 6,-0.0 -2,-0.3 0, 0.0 -0.412 26.6-123.0 -71.7 166.1 35.2 61.4 8.4 11 26 A K S S+ 0 0 213 4,-0.1 2,-0.1 -2,-0.1 -1,-0.1 0.128 78.6 95.6 -98.5 22.2 36.0 57.9 9.7 12 27 A S S S- 0 0 59 2,-0.2 4,-0.0 4,-0.1 -2,-0.0 -0.410 80.7 -74.2-104.4-179.0 38.2 59.2 12.5 13 28 A I S S+ 0 0 161 1,-0.2 -2,-0.1 -2,-0.1 3,-0.0 -0.994 121.9 28.4-121.3 122.4 37.8 60.0 16.2 14 29 A P S S- 0 0 88 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.636 105.9-130.6 -72.9 153.0 36.3 62.4 17.0 15 30 A P - 0 0 42 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 -0.444 9.0-140.3 -71.6 151.4 34.3 62.2 13.7 16 31 A Q + 0 0 115 35,-0.1 -6,-2.3 -4,-0.0 2,-0.4 -0.962 29.1 179.6-112.6 115.2 34.0 65.3 11.5 17 32 A d E +AB 9 50A 3 33,-3.6 33,-2.9 -2,-0.6 2,-0.3 -0.920 11.5 175.3-119.7 140.1 30.5 65.6 10.1 18 33 A R E -A 8 0A 115 -10,-2.7 -10,-2.7 -2,-0.4 2,-0.5 -0.971 30.4-121.6-135.0 158.7 28.8 68.1 7.8 19 34 A b E -A 7 0A 15 29,-0.5 -12,-0.2 -2,-0.3 27,-0.2 -0.834 17.4-170.2 -91.1 125.4 25.4 68.4 6.1 20 35 A T + 0 0 47 -14,-2.4 -13,-0.1 -2,-0.5 -1,-0.1 0.430 41.1 132.6 -93.2 4.0 25.7 68.7 2.3 21 36 A D - 0 0 22 -15,-0.5 25,-0.5 1,-0.1 2,-0.5 -0.204 48.8-148.3 -55.9 142.0 22.1 69.5 1.9 22 37 A L E -C 45 0B 105 23,-0.1 2,-0.3 5,-0.0 23,-0.2 -0.981 26.9-170.7-102.6 121.1 21.2 72.5 -0.4 23 38 A R E -C 44 0B 69 21,-3.1 21,-3.0 -2,-0.5 2,-0.3 -0.824 23.5-106.1-120.3 155.1 17.9 74.0 1.1 24 39 A L E S-C 43 0B 111 -2,-0.3 2,-2.0 19,-0.2 19,-0.2 -0.603 88.9 -16.1 -81.9 139.4 15.5 76.6 -0.1 25 40 A D S S+ 0 0 103 17,-2.7 2,-0.3 -2,-0.3 -1,-0.2 -0.145 125.9 6.0 73.7 -39.5 15.5 80.1 1.5 26 41 A S S S- 0 0 66 -2,-2.0 18,-0.2 16,-0.2 3,-0.1 -0.988 70.8-102.3-166.7 161.2 17.5 79.2 4.7 27 42 A e - 0 0 14 -2,-0.3 7,-0.1 1,-0.2 18,-0.1 -0.312 59.0 -75.7 -79.4 168.2 19.5 76.7 6.6 28 43 A H > - 0 0 11 -25,-0.2 3,-1.6 1,-0.1 -1,-0.2 -0.137 52.9 -99.1 -58.7 167.7 18.1 74.7 9.6 29 44 A S T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.712 119.2 54.4 -65.3 -20.8 17.7 76.7 12.8 30 45 A A T 3 S+ 0 0 38 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.460 79.8 119.2 -95.7 7.1 20.9 75.3 14.4 31 46 A f < - 0 0 24 -3,-1.6 3,-0.2 1,-0.2 -4,-0.1 -0.518 37.2-178.3 -78.5 132.6 23.1 76.4 11.6 32 47 A K S S+ 0 0 181 -2,-0.3 2,-0.6 1,-0.3 -1,-0.2 0.832 77.2 39.1 -96.4 -35.2 25.8 78.8 12.4 33 48 A S S S+ 0 0 49 2,-0.0 14,-2.7 0, 0.0 2,-0.5 -0.896 71.7 169.4-117.9 98.8 27.5 79.3 9.1 34 49 A e E -D 46 0B 53 -2,-0.6 2,-0.4 12,-0.2 12,-0.2 -0.938 10.4-171.2-108.4 117.6 24.8 79.4 6.4 35 50 A I E -D 45 0B 96 10,-2.9 10,-3.1 -2,-0.5 2,-0.3 -0.906 9.8-176.3-113.8 147.3 25.8 80.5 2.9 36 51 A g E -D 44 0B 57 -2,-0.4 8,-0.2 8,-0.2 2,-0.1 -0.935 29.6-102.5-141.7 154.2 23.2 81.2 0.1 37 52 A T - 0 0 61 6,-1.9 2,-1.6 -2,-0.3 6,-0.0 -0.453 37.6-117.6 -71.7 153.5 22.8 82.1 -3.5 38 53 A L S S+ 0 0 177 -2,-0.1 2,-0.3 4,-0.1 -1,-0.1 -0.510 84.2 84.2 -86.8 65.9 21.9 85.7 -4.2 39 54 A S S S- 0 0 55 -2,-1.6 4,-0.1 4,-0.0 -2,-0.0 -0.927 82.4 -75.6-152.2 175.2 18.6 84.9 -5.9 40 55 A I S S+ 0 0 157 -2,-0.3 2,-0.2 1,-0.2 -2,-0.1 -0.998 117.7 31.8-125.0 129.9 15.0 84.1 -4.9 41 56 A P S S- 0 0 67 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.625 103.5-136.5 -75.1 147.3 14.2 81.5 -3.7 42 57 A A - 0 0 14 -2,-0.2 -17,-2.7 -4,-0.1 2,-0.6 -0.450 5.2-142.7 -72.1 144.8 17.6 81.4 -2.2 43 58 A Q E -C 24 0B 92 -19,-0.2 -6,-1.9 -2,-0.1 2,-0.3 -0.950 28.0-168.2-110.2 122.3 19.5 78.1 -2.3 44 59 A g E -CD 23 36B 0 -21,-3.0 -21,-3.1 -2,-0.6 2,-0.4 -0.861 17.9-165.1-120.9 142.1 21.4 77.7 1.0 45 60 A V E -CD 22 35B 40 -10,-3.1 -10,-2.9 -2,-0.3 2,-0.6 -0.971 13.4-145.7-120.4 132.3 24.2 75.4 2.4 46 61 A f E - D 0 34B 11 -25,-0.5 -27,-0.3 -2,-0.4 -12,-0.2 -0.807 13.9-176.6 -87.0 123.8 25.2 75.0 6.1 47 62 A D + 0 0 62 -14,-2.7 -13,-0.1 -2,-0.6 -1,-0.1 0.342 30.9 136.9-111.9 29.3 28.9 74.4 6.3 48 63 A D - 0 0 19 -15,-0.4 -29,-0.5 1,-0.0 2,-0.5 -0.287 45.9-142.1 -56.1 139.7 29.1 73.8 10.0 49 64 A I + 0 0 95 -31,-0.1 2,-0.3 -33,-0.0 -31,-0.2 -0.924 29.4 166.4-101.7 136.0 31.4 71.0 11.0 50 65 A D B -B 17 0A 38 -33,-2.9 -33,-3.6 -2,-0.5 0, 0.0 -0.878 48.2-117.4-138.6 171.4 30.2 68.9 14.0 51 66 A D S S+ 0 0 98 -2,-0.3 2,-0.3 -35,-0.2 -35,-0.1 0.153 98.5 43.0 -96.7 21.1 31.0 65.5 15.6 52 67 A F S S- 0 0 91 -35,-0.2 2,-0.4 0, 0.0 -2,-0.2 -0.964 78.8-118.3-150.8 163.3 27.4 64.3 14.8 53 68 A c - 0 0 58 -2,-0.3 -49,-0.1 -46,-0.1 -46,-0.1 -0.859 30.6-118.9 -98.0 139.0 24.8 64.3 12.1 54 69 A Y - 0 0 49 -2,-0.4 -50,-0.2 1,-0.1 -51,-0.2 -0.415 46.1 -90.8 -68.3 156.7 21.4 66.0 12.5 55 70 A E - 0 0 130 -53,-0.4 -51,-2.2 1,-0.1 -1,-0.1 -0.285 55.8 -79.5 -66.0 156.8 18.5 63.5 12.2 56 71 A P 0 0 97 0, 0.0 -51,-0.2 0, 0.0 -1,-0.1 -0.069 360.0 360.0 -54.6 156.9 17.0 62.9 8.8 57 72 A a 0 0 82 -54,-0.1 -53,-0.1 -53,-0.1 0, 0.0 0.128 360.0 360.0 -88.5 360.0 14.5 65.4 7.4