==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 12-APR-06 2GO2 . COMPND 2 MOLECULE: KUNITZ-TYPE SERINE PROTEASE INHIBITOR BBKI; . SOURCE 2 ORGANISM_SCIENTIFIC: BAUHINIA BAUHINIOIDES; . AUTHOR M.V.A.S.NAVARRO,R.C.GARRATT . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8526.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 38.7 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 . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 20 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 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 0 PARALLEL BRIDGES PER LADDER . 9 2 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 S 0 0 101 0, 0.0 71,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 163.8 52.6 61.6 -8.3 2 2 A S - 0 0 58 67,-0.1 68,-2.9 1,-0.1 69,-0.2 -0.240 360.0-109.2 -68.1 147.4 53.3 64.4 -5.9 3 3 A V B -A 69 0A 54 66,-0.3 2,-0.4 67,-0.1 66,-0.3 -0.455 36.0-121.6 -65.3 134.8 55.1 64.1 -2.5 4 4 A V - 0 0 2 64,-2.6 8,-2.9 8,-0.2 2,-0.3 -0.691 33.5-155.9 -83.0 131.3 52.6 64.6 0.3 5 5 A V B -B 11 0B 53 -2,-0.4 154,-0.4 6,-0.3 2,-0.1 -0.887 7.7-133.2-116.6 146.5 53.6 67.6 2.5 6 6 A D > - 0 0 8 4,-3.0 3,-2.5 -2,-0.3 154,-0.2 -0.204 46.2 -83.2 -82.4-180.0 53.0 68.5 6.1 7 7 A T T 3 S+ 0 0 67 152,-2.1 153,-0.1 1,-0.3 -1,-0.1 0.632 131.6 54.6 -65.0 -15.0 51.8 71.9 7.4 8 8 A N T 3 S- 0 0 121 2,-0.2 -1,-0.3 3,-0.0 152,-0.1 0.227 120.2-108.8 -94.5 11.6 55.5 73.1 7.4 9 9 A G S < S+ 0 0 48 -3,-2.5 -2,-0.1 1,-0.3 3,-0.0 0.577 76.5 134.1 74.0 12.1 55.9 72.1 3.7 10 10 A Q - 0 0 119 1,-0.1 -4,-3.0 3,-0.0 -1,-0.3 -0.737 66.7 -94.7 -92.0 145.2 58.1 69.1 4.5 11 11 A P B -B 5 0B 54 0, 0.0 2,-0.3 0, 0.0 -6,-0.3 -0.297 41.3-114.5 -56.6 137.0 57.6 65.6 2.9 12 12 A V - 0 0 0 -8,-2.9 56,-1.8 56,-0.3 -8,-0.2 -0.566 38.7-119.0 -71.6 132.0 55.4 63.4 5.1 13 13 A S B -C 67 0C 12 -2,-0.3 2,-1.2 54,-0.2 46,-0.5 -0.361 16.1-111.4 -81.5 151.3 57.6 60.5 6.2 14 14 A N B S-d 59 0D 29 52,-2.1 2,-0.7 1,-0.1 46,-0.2 -0.725 86.0 -45.2 -78.7 94.2 57.0 56.8 5.5 15 15 A G S S+ 0 0 7 44,-2.4 66,-0.2 -2,-1.2 -1,-0.1 0.013 119.6 96.1 78.3 -29.6 56.1 55.4 8.9 16 16 A A S S+ 0 0 74 -2,-0.7 2,-0.3 50,-0.2 -1,-0.1 0.794 84.2 38.7 -73.6 -33.6 58.9 57.1 10.9 17 17 A D S S- 0 0 52 42,-0.1 42,-0.4 -4,-0.0 2,-0.3 -0.870 75.2-132.4-116.3 147.4 57.0 60.2 12.1 18 18 A A - 0 0 14 -2,-0.3 144,-2.9 40,-0.1 145,-0.6 -0.684 22.9-165.0 -98.4 154.6 53.4 60.5 13.4 19 19 A Y E -EF 57 161D 1 38,-2.5 38,-3.1 142,-0.3 2,-0.4 -0.997 19.7-125.4-138.5 136.9 51.1 63.3 12.1 20 20 A Y E - F 0 160D 49 140,-3.5 140,-2.8 -2,-0.3 2,-0.9 -0.739 18.7-140.7 -80.0 134.7 47.8 64.9 13.2 21 21 A L E - F 0 159D 3 -2,-0.4 10,-0.3 34,-0.3 138,-0.2 -0.874 25.7-166.7 -89.0 103.7 45.1 64.9 10.6 22 22 A V E - F 0 158D 35 136,-2.7 136,-2.7 -2,-0.9 8,-0.1 -0.875 17.0-128.2-101.9 112.3 43.6 68.4 11.3 23 23 A P E - F 0 157D 13 0, 0.0 134,-0.3 0, 0.0 6,-0.1 -0.199 5.2-149.1 -58.6 138.3 40.2 69.1 9.6 24 24 A V S S+ 0 0 44 132,-2.6 133,-0.1 4,-0.1 2,-0.1 0.790 86.4 16.3 -81.9 -28.3 40.0 72.3 7.6 25 25 A S S S+ 0 0 87 131,-0.5 130,-0.0 1,-0.1 0, 0.0 -0.151 90.6 81.6-107.5-145.5 36.2 72.8 8.3 26 26 A H S S- 0 0 67 -2,-0.1 -1,-0.1 2,-0.1 129,-0.0 0.804 101.8-105.3 48.9 36.0 34.1 71.0 11.1 27 27 A G S S- 0 0 53 -3,-0.1 2,-0.5 2,-0.0 -2,-0.0 0.010 77.7 -18.7 38.6-150.3 35.5 73.6 13.5 28 28 A H S S+ 0 0 158 -6,-0.1 2,-0.3 -4,-0.0 23,-0.1 -0.643 85.0 137.9 -84.9 124.5 38.1 72.3 15.8 29 29 A A - 0 0 6 -2,-0.5 2,-0.3 -6,-0.1 23,-0.1 -0.968 28.8-158.9-160.0 154.8 38.1 68.5 16.1 30 30 A G E -G 48 0D 0 18,-2.3 18,-3.4 -2,-0.3 24,-0.3 -0.900 35.1 -78.5-137.5 169.9 40.6 65.7 16.2 31 31 A L E +Gh 47 54D 3 22,-0.6 24,-2.4 -2,-0.3 2,-0.3 -0.451 55.0 158.1 -74.3 136.9 40.7 62.0 15.6 32 32 A A E -G 46 0D 8 14,-2.6 14,-2.8 22,-0.2 2,-0.4 -0.929 39.9-108.6-145.5 167.3 39.4 59.7 18.3 33 33 A L E +G 45 0D 64 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.854 39.9 171.7-101.9 141.7 38.0 56.1 18.8 34 34 A A E -G 44 0D 5 10,-2.4 10,-2.7 -2,-0.4 9,-0.7 -0.943 35.0-109.4-138.3 161.4 34.3 55.7 19.5 35 35 A K - 0 0 98 -2,-0.3 3,-0.1 7,-0.3 5,-0.0 -0.592 19.8-143.9 -82.0 152.5 31.7 52.9 19.8 36 36 A I - 0 0 2 -2,-0.2 -1,-0.1 110,-0.0 108,-0.1 0.903 68.5 -63.7 -81.9 -49.2 29.2 52.7 17.0 37 37 A G S S+ 0 0 49 -3,-0.1 -2,-0.1 58,-0.0 0, 0.0 -0.096 117.9 16.9-150.1 -77.3 26.4 51.6 19.3 38 38 A N S S+ 0 0 169 -3,-0.1 -3,-0.0 -2,-0.0 0, 0.0 0.595 82.1 112.2 -95.8 -24.1 26.7 48.3 21.0 39 39 A E - 0 0 45 1,-0.1 -4,-0.0 2,-0.1 0, 0.0 -0.015 63.1-130.2 -43.4 152.8 30.4 47.0 21.0 40 40 A A S S+ 0 0 80 1,-0.1 -1,-0.1 -5,-0.0 -5,-0.1 0.731 89.8 47.0 -82.5 -28.5 32.4 46.8 24.2 41 41 A E S S- 0 0 109 -7,-0.1 2,-0.7 0, 0.0 -1,-0.1 -0.964 87.7-116.3-120.8 136.7 35.5 48.6 23.0 42 42 A P + 0 0 49 0, 0.0 -7,-0.3 0, 0.0 -9,-0.0 -0.568 52.9 144.9 -68.8 106.5 35.6 51.9 21.0 43 43 A R + 0 0 128 -9,-0.7 59,-2.6 -2,-0.7 2,-0.4 0.375 34.6 102.6-127.5 7.1 37.1 50.9 17.6 44 44 A A E S-GI 34 101D 0 -10,-2.7 -10,-2.4 57,-0.2 2,-0.4 -0.777 72.0-126.8 -89.2 133.9 35.3 53.3 15.1 45 45 A V E +G 33 0D 0 55,-2.7 102,-2.7 -2,-0.4 2,-0.3 -0.667 38.7 172.1 -78.5 127.3 37.5 56.2 14.0 46 46 A V E -GJ 32 146D 0 -14,-2.8 -14,-2.6 -2,-0.4 2,-0.6 -0.854 38.2-122.8-131.5 161.6 35.7 59.5 14.6 47 47 A L E -GJ 31 145D 1 98,-2.3 98,-0.6 -2,-0.3 -16,-0.2 -0.966 37.8-170.5-103.3 118.7 36.4 63.3 14.4 48 48 A D E > -G 30 0D 18 -18,-3.4 -18,-2.3 -2,-0.6 3,-1.7 -0.952 28.7-151.1-123.9 118.7 35.6 64.6 17.8 49 49 A P T 3 S+ 0 0 56 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.831 100.1 58.8 -51.3 -31.9 35.4 68.3 18.8 50 50 A H T 3 S+ 0 0 152 1,-0.2 2,-0.5 -20,-0.1 4,-0.1 0.546 96.8 64.0 -80.6 -5.5 36.5 67.2 22.4 51 51 A H S < S- 0 0 100 -3,-1.7 -3,-0.3 -21,-0.3 -1,-0.2 -0.725 74.7-170.7-124.0 87.2 39.7 65.6 21.3 52 52 A R S S+ 0 0 146 -2,-0.5 -22,-0.1 1,-0.3 -30,-0.0 -0.961 74.3 8.4-118.4 135.7 42.1 68.2 19.8 53 53 A P S S- 0 0 58 0, 0.0 -22,-0.6 0, 0.0 -1,-0.3 -0.998 104.0-168.3 -67.3 -10.9 44.8 67.6 18.4 54 54 A G B -h 31 0D 18 -24,-0.3 -22,-0.2 -4,-0.1 -2,-0.1 -0.359 36.8 -25.4 67.4-168.6 43.7 64.0 18.6 55 55 A L - 0 0 70 -24,-2.4 -34,-0.3 -4,-0.1 -24,-0.2 -0.652 68.6-135.3 -78.6 122.1 45.3 60.6 18.0 56 56 A P - 0 0 41 0, 0.0 23,-0.7 0, 0.0 2,-0.3 -0.473 19.4-144.3 -80.8 161.0 48.2 61.1 15.6 57 57 A V E -EK 19 78D 0 -38,-3.1 -38,-2.5 21,-0.2 2,-0.4 -0.771 9.0-143.4-119.8 161.0 48.7 58.8 12.7 58 58 A R E - K 0 77D 54 19,-2.2 19,-1.8 -2,-0.3 2,-0.5 -0.973 14.8-145.4-119.5 142.3 51.6 57.1 10.7 59 59 A F E -dK 14 76D 2 -46,-0.5 -44,-2.4 -42,-0.4 2,-0.4 -0.920 22.1-165.8-111.1 125.5 51.3 56.5 6.9 60 60 A E E + K 0 75D 25 15,-2.6 15,-2.3 -2,-0.5 50,-0.3 -0.970 18.5 173.5-127.0 134.2 53.0 53.4 5.8 61 61 A S - 0 0 12 -2,-0.4 13,-0.1 13,-0.2 48,-0.1 -0.976 31.8-137.8-128.3 142.5 54.1 52.0 2.4 62 62 A P S S+ 0 0 67 0, 0.0 47,-0.1 0, 0.0 12,-0.1 0.489 73.6 112.1 -77.7 -1.3 56.2 48.8 2.0 63 63 A L S S- 0 0 86 1,-0.1 -2,-0.2 2,-0.0 9,-0.0 -0.338 81.1-118.8 -65.8 151.8 58.2 50.7 -0.7 64 64 A R S S+ 0 0 258 2,-0.0 -1,-0.1 -2,-0.0 -50,-0.1 0.716 79.8 109.5 -70.3 -12.4 61.9 51.4 0.4 65 65 A I - 0 0 61 1,-0.1 -4,-0.2 2,-0.0 -2,-0.0 -0.149 66.0-141.3 -73.0 148.6 61.4 55.2 0.1 66 66 A N S S+ 0 0 124 -53,-0.1 -52,-2.1 -51,-0.1 2,-0.2 0.413 80.3 58.3 -95.9 7.6 61.4 57.3 3.4 67 67 A I B S-C 13 0C 33 -54,-0.3 2,-0.4 -52,-0.1 -54,-0.2 -0.805 78.7-119.1-129.8 167.3 58.6 59.7 2.2 68 68 A I - 0 0 1 -56,-1.8 -64,-2.6 -64,-0.3 -56,-0.3 -0.909 20.8-167.0-111.8 141.5 55.0 59.3 0.9 69 69 A K B > -A 3 0A 65 -2,-0.4 3,-1.7 -66,-0.3 45,-0.3 -0.844 35.7-112.6-122.0 158.2 53.5 60.3 -2.4 70 70 A E T 3 S+ 0 0 16 -68,-2.9 -67,-0.1 -2,-0.3 44,-0.1 0.719 114.4 61.6 -62.9 -24.1 49.9 60.6 -3.5 71 71 A S T 3 S+ 0 0 45 -69,-0.2 2,-0.3 42,-0.1 -1,-0.3 0.598 84.6 100.1 -72.2 -15.6 50.3 57.5 -5.8 72 72 A Y S < S- 0 0 31 -3,-1.7 42,-0.3 42,-0.1 2,-0.3 -0.566 72.7-129.2 -81.3 132.4 51.3 55.1 -2.9 73 73 A F - 0 0 29 -2,-0.3 2,-0.4 40,-0.1 40,-0.2 -0.673 40.3-162.2 -70.4 140.5 48.8 52.7 -1.4 74 74 A L B -L 112 0D 0 38,-3.2 38,-2.1 -2,-0.3 2,-0.4 -0.947 29.2-145.5-129.4 140.5 49.0 53.2 2.4 75 75 A N E -K 60 0D 7 -15,-2.3 -15,-2.6 -2,-0.4 2,-0.4 -0.799 24.5-159.7 -84.8 145.2 48.3 51.7 5.7 76 76 A I E +K 59 0D 0 -2,-0.4 12,-3.1 12,-0.3 2,-0.3 -0.996 17.6 172.4-124.7 139.5 47.3 54.4 8.2 77 77 A K E -KM 58 87D 0 -19,-1.8 -19,-2.2 -2,-0.4 10,-0.2 -0.998 32.0-129.2-149.4 151.1 47.6 53.5 11.9 78 78 A F E S+K 57 0D 12 8,-2.1 -21,-0.2 -2,-0.3 -23,-0.0 -0.545 76.8 22.5 -82.1 158.7 47.4 55.0 15.4 79 79 A G S S- 0 0 37 -23,-0.7 -2,-0.1 -2,-0.2 2,-0.1 -0.225 103.8 -23.2 81.6-172.6 50.2 54.2 17.7 80 80 A P > - 0 0 66 0, 0.0 3,-0.9 0, 0.0 -22,-0.1 -0.358 54.1-117.6 -70.4 154.4 53.9 53.1 17.1 81 81 A S T 3 S+ 0 0 57 1,-0.2 -65,-0.1 -66,-0.2 -3,-0.0 0.710 114.7 59.1 -52.8 -28.4 55.2 51.5 14.0 82 82 A S T 3 S+ 0 0 120 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.763 88.8 89.4 -81.7 -17.6 56.1 48.5 16.2 83 83 A S < - 0 0 29 -3,-0.9 0, 0.0 1,-0.1 0, 0.0 -0.577 64.4-151.1 -89.2 139.2 52.5 47.8 17.4 84 84 A D S S+ 0 0 116 -2,-0.3 3,-0.5 2,-0.1 -1,-0.1 0.712 75.2 76.0 -75.5 -19.5 50.1 45.6 15.5 85 85 A S S S+ 0 0 62 1,-0.2 19,-0.2 19,-0.1 3,-0.1 -0.284 71.0 50.8 -91.9 170.6 47.0 47.5 16.7 86 86 A G + 0 0 11 1,-0.3 -8,-2.1 17,-0.2 2,-0.3 0.446 69.5 148.2 87.1 -0.7 45.6 50.8 15.6 87 87 A V E -MN 77 103D 2 16,-2.0 16,-2.3 -3,-0.5 -1,-0.3 -0.535 46.3-126.8 -75.5 127.9 45.6 49.8 11.9 88 88 A W E + N 0 102D 2 -12,-3.1 -12,-0.3 -2,-0.3 2,-0.3 -0.477 35.4 168.2 -77.1 139.3 42.8 51.4 10.0 89 89 A D E - N 0 101D 59 12,-2.7 12,-2.4 -2,-0.2 2,-0.6 -0.934 36.0-116.7-137.6 169.2 40.5 49.3 7.9 90 90 A V E + N 0 100D 14 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.945 39.1 180.0-111.3 116.7 37.1 49.7 6.1 91 91 A I E - 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