==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 15-MAR-12 4AN6 . COMPND 2 MOLECULE: TRYPSIN INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: TAMARINDUS INDICA; . AUTHOR D.N.PATIL,P.KUMAR . 343 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15707.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 204 59.5 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 . 129 37.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0.3 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 . 37 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 3 0 7 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 2 A Y 0 0 197 0, 0.0 70,-3.0 0, 0.0 71,-0.3 0.000 360.0 360.0 360.0 131.9 4.3 15.2 30.9 2 3 A T B -A 70 0A 58 68,-0.3 2,-0.5 69,-0.1 68,-0.3 -0.617 360.0-119.5 -74.6 135.9 7.4 15.0 28.6 3 4 A V - 0 0 0 66,-2.6 8,-2.8 -2,-0.3 2,-0.3 -0.704 31.9-158.3 -80.2 126.2 9.0 11.5 29.0 4 5 A H B -B 10 0B 79 -2,-0.5 164,-0.4 6,-0.2 2,-0.1 -0.788 8.4-132.0-107.2 148.5 12.6 11.8 30.2 5 6 A D > - 0 0 9 4,-2.3 3,-2.2 -2,-0.3 164,-0.2 -0.258 44.3 -85.2 -83.6-179.9 15.4 9.3 29.8 6 7 A T T 3 S+ 0 0 64 162,-2.6 163,-0.1 1,-0.3 -1,-0.1 0.666 131.7 56.1 -64.3 -17.2 17.7 8.1 32.7 7 8 A D T 3 S- 0 0 100 161,-0.3 -1,-0.3 2,-0.1 162,-0.1 0.315 121.7-108.0 -88.6 3.2 19.9 11.2 32.0 8 9 A G S < S+ 0 0 47 -3,-2.2 -2,-0.1 1,-0.2 3,-0.0 0.597 76.2 134.4 78.7 13.5 16.9 13.5 32.4 9 10 A K - 0 0 117 1,-0.1 -4,-2.3 3,-0.0 -1,-0.2 -0.718 64.9 -96.7-100.5 143.9 16.6 14.3 28.7 10 11 A P B -B 4 0B 51 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.281 42.6-115.2 -54.7 139.2 13.4 14.4 26.7 11 12 A V - 0 0 0 -8,-2.8 58,-3.0 58,-0.4 -8,-0.2 -0.634 35.0-114.9 -79.3 132.8 12.9 11.1 24.8 12 13 A L B -C 68 0C 33 -2,-0.3 2,-0.5 56,-0.3 48,-0.4 -0.323 15.8-130.1 -71.2 147.5 13.0 11.5 21.0 13 14 A N S S- 0 0 18 54,-2.3 48,-0.2 1,-0.2 3,-0.1 -0.877 86.2 -13.7 -95.2 124.7 10.1 10.9 18.7 14 15 A N S S+ 0 0 99 46,-3.8 2,-0.3 -2,-0.5 -1,-0.2 0.733 124.2 76.6 56.4 29.6 10.8 8.7 15.7 15 16 A A S S+ 0 0 36 45,-0.4 45,-0.4 -3,-0.2 -1,-0.1 -0.977 70.9 24.6-160.4 165.5 14.6 9.0 16.2 16 17 A G S S- 0 0 2 -2,-0.3 2,-0.3 43,-0.1 157,-0.3 0.006 74.7 -90.1 65.8-173.8 17.4 7.7 18.4 17 18 A Q E -D 172 0D 35 155,-2.4 154,-3.1 42,-0.1 155,-0.6 -0.998 36.4-177.0-140.4 137.8 17.5 4.4 20.4 18 19 A Y E -DE 170 58D 0 40,-2.3 40,-3.2 -2,-0.3 2,-0.4 -0.995 21.2-135.8-135.5 140.5 16.5 3.6 24.0 19 20 A Y E -D 169 0D 49 150,-2.7 150,-2.2 -2,-0.3 2,-0.8 -0.794 18.5-139.2 -85.0 137.7 16.6 0.6 26.2 20 21 A I E -D 168 0D 2 36,-0.4 11,-2.3 -2,-0.4 148,-0.2 -0.909 33.5-177.5 -90.6 107.4 13.4 -0.1 28.2 21 22 A L E -D 167 0D 29 146,-2.7 146,-2.3 -2,-0.8 9,-0.1 -0.786 33.5 -99.5-106.3 152.7 14.8 -1.1 31.6 22 23 A P E -D 166 0D 22 0, 0.0 144,-0.3 0, 0.0 8,-0.1 -0.446 22.9-151.4 -61.3 141.3 13.0 -2.2 34.7 23 24 A A S S+ 0 0 20 142,-2.7 2,-0.4 105,-0.2 143,-0.2 0.785 79.9 59.4 -81.9 -27.1 12.7 0.7 37.1 24 25 A K S S- 0 0 129 141,-0.6 2,-0.4 -3,-0.0 -1,-0.1 -0.813 93.8-107.8-108.6 138.8 12.7 -1.7 40.0 25 26 A Q + 0 0 177 -2,-0.4 2,-0.2 2,-0.1 4,-0.1 -0.458 64.1 132.8 -64.0 119.0 15.3 -4.2 41.1 26 27 A G - 0 0 41 2,-0.4 -1,-0.1 -2,-0.4 0, 0.0 -0.458 67.4 -61.1-145.1-148.4 13.9 -7.6 40.2 27 28 A K S S+ 0 0 144 -2,-0.2 23,-0.6 2,-0.1 2,-0.3 0.271 105.6 37.2-102.9 8.3 14.7 -11.0 38.6 28 29 A G E -F 49 0D 5 21,-0.2 -2,-0.4 22,-0.1 3,-0.1 -0.923 67.3-128.1-150.4 173.6 15.4 -9.8 35.0 29 30 A G E - 0 0 6 19,-2.5 25,-0.2 1,-0.3 21,-0.1 -0.003 55.4 -30.2-106.6-150.3 17.0 -7.0 32.9 30 31 A G E S- 0 0 0 23,-3.2 18,-2.1 17,-0.2 -1,-0.3 -0.139 75.1 -81.7 -67.9 165.0 15.8 -4.8 30.0 31 32 A L E +F 47 0D 3 -11,-2.3 25,-2.1 16,-0.2 -11,-0.3 -0.441 61.5 146.4 -72.0 134.3 13.4 -5.8 27.4 32 33 A G E -F 46 0D 3 14,-3.6 14,-1.7 23,-0.3 2,-0.4 -0.562 46.8 -77.1-138.1-152.9 14.7 -7.9 24.5 33 34 A L E +F 45 0D 29 12,-0.2 2,-0.3 -2,-0.2 12,-0.2 -0.961 40.9 172.4-121.8 140.3 13.4 -10.7 22.3 34 35 A S E -F 44 0D 13 10,-2.4 10,-2.7 -2,-0.4 2,-1.0 -0.903 38.8-104.7-137.4 167.1 13.0 -14.4 23.0 35 36 A N + 0 0 78 7,-0.3 2,-0.6 -2,-0.3 4,-0.0 -0.823 43.2 165.2-100.5 98.7 11.4 -17.3 21.2 36 37 A D S S- 0 0 34 -2,-1.0 -2,-0.1 1,-0.1 7,-0.0 -0.899 80.6 -38.8-115.5 96.0 8.1 -18.1 22.9 37 38 A D S S+ 0 0 156 -2,-0.6 -1,-0.1 1,-0.1 -2,-0.1 0.769 107.3 122.1 58.9 28.9 6.1 -20.4 20.6 38 39 A D > - 0 0 27 1,-0.3 2,-0.6 3,-0.0 3,-0.5 0.451 62.2-139.3-102.5 -5.6 7.4 -18.4 17.6 39 40 A G T 3 S- 0 0 60 1,-0.2 -1,-0.3 -4,-0.0 -2,-0.1 -0.709 72.1 -1.4 86.8-121.3 9.1 -21.1 15.6 40 41 A N T 3 S+ 0 0 144 -2,-0.6 -1,-0.2 45,-0.1 45,-0.1 0.531 124.7 53.5 -88.5 -6.3 12.4 -20.3 13.9 41 42 A a S < S- 0 0 4 -3,-0.5 2,-0.8 44,-0.1 -7,-0.1 -0.980 83.4-115.8-135.0 137.5 12.7 -16.6 15.1 42 43 A P + 0 0 36 0, 0.0 -7,-0.3 0, 0.0 44,-0.1 -0.652 47.1 154.9 -77.1 109.2 12.6 -14.9 18.5 43 44 A L + 0 0 38 -2,-0.8 66,-2.5 -9,-0.3 2,-0.4 0.394 35.0 99.6-114.4 -0.1 9.5 -12.7 18.2 44 45 A T E S-FG 34 108D 0 -10,-2.7 -10,-2.4 64,-0.2 2,-0.5 -0.777 70.0-127.9-102.5 130.9 8.3 -12.3 21.9 45 46 A V E +F 33 0D 0 62,-2.6 111,-2.6 -2,-0.4 62,-0.3 -0.659 47.8 158.2 -77.6 124.1 9.1 -9.2 23.9 46 47 A S E -FH 32 155D 1 -14,-1.7 -14,-3.6 -2,-0.5 109,-0.2 -0.965 46.0 -98.2-148.5 151.1 10.7 -10.5 27.1 47 48 A Q E -F 31 0D 4 107,-3.3 107,-0.3 -2,-0.3 -16,-0.2 -0.539 43.0-121.8 -69.1 141.7 13.0 -9.5 30.0 48 49 A T E - 0 0 19 -18,-2.1 -19,-2.5 -2,-0.2 106,-0.1 -0.403 37.1 -90.2 -75.7 161.5 16.6 -10.5 29.5 49 50 A P E > -F 28 0D 56 0, 0.0 3,-1.8 0, 0.0 -21,-0.2 -0.405 38.4-108.9 -72.4 156.9 18.1 -12.8 32.2 50 51 A I T 3 S+ 0 0 96 -23,-0.6 -22,-0.1 1,-0.3 -20,-0.1 0.788 117.5 60.2 -61.6 -28.7 19.8 -11.0 35.1 51 52 A D T 3 S+ 0 0 121 1,-0.3 -1,-0.3 2,-0.1 -23,-0.0 0.688 114.0 37.2 -70.6 -22.8 23.3 -12.1 33.8 52 53 A L S < S+ 0 0 109 -3,-1.8 -1,-0.3 1,-0.1 -23,-0.2 -0.600 75.7 171.8-122.1 73.2 22.7 -10.2 30.6 53 54 A P + 0 0 61 0, 0.0 -23,-3.2 0, 0.0 2,-0.5 0.524 53.3 80.7 -68.4 -6.6 20.7 -7.2 31.8 54 55 A I + 0 0 91 -25,-0.2 -22,-0.1 1,-0.1 -33,-0.1 -0.880 54.7 174.8-104.9 125.5 20.7 -5.3 28.5 55 56 A G - 0 0 15 -2,-0.5 -23,-0.3 -24,-0.2 -24,-0.1 0.423 44.9 -49.1 -93.9-126.0 18.1 -6.3 25.9 56 57 A L - 0 0 40 -25,-2.1 -36,-0.4 -36,-0.1 -1,-0.2 -0.908 52.2-109.4-121.3 144.8 17.6 -4.5 22.6 57 58 A P - 0 0 2 0, 0.0 23,-2.3 0, 0.0 24,-0.8 -0.393 32.2-158.5 -70.7 150.0 17.1 -0.8 21.8 58 59 A V E -EI 18 79D 1 -40,-3.2 -40,-2.3 21,-0.3 2,-0.4 -0.850 10.4-144.0-121.6 161.3 13.8 0.6 20.7 59 60 A R E - I 0 78D 76 19,-2.7 19,-2.0 -2,-0.3 2,-0.4 -0.982 16.1-142.1-120.8 136.9 12.6 3.6 18.8 60 61 A F E - I 0 77D 0 -48,-0.4 -46,-3.8 -2,-0.4 2,-0.4 -0.844 18.6-167.9-100.2 133.6 9.3 5.3 19.7 61 62 A S E + I 0 76D 13 15,-2.8 15,-2.9 -2,-0.4 2,-0.3 -0.989 12.2 166.3-131.6 128.4 7.1 6.7 16.9 62 63 A S - 0 0 24 -2,-0.4 4,-0.2 13,-0.2 13,-0.1 -0.925 41.5-128.1-130.3 154.4 4.1 9.0 17.0 63 64 A R S S+ 0 0 101 11,-0.4 12,-0.1 -2,-0.3 -1,-0.0 0.619 72.8 123.2 -66.9 -17.3 2.3 11.0 14.3 64 65 A A S S- 0 0 26 10,-0.3 2,-2.6 1,-0.2 -2,-0.2 -0.209 71.9-126.7 -61.8 134.4 2.7 14.0 16.6 65 66 A R S S+ 0 0 200 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.449 76.7 101.1 -81.8 68.5 4.5 16.9 14.9 66 67 A I S S- 0 0 82 -2,-2.6 -4,-0.2 -4,-0.2 -53,-0.0 -0.983 73.3-131.5-151.4 155.0 7.0 17.1 17.7 67 68 A S S S+ 0 0 75 -2,-0.3 -54,-2.3 -55,-0.1 2,-0.3 0.546 88.2 44.2 -86.8 -11.7 10.6 16.0 18.2 68 69 A H B S-C 12 0C 65 -56,-0.3 2,-0.3 -54,-0.1 -56,-0.3 -0.943 79.7-111.2-137.4 160.2 10.0 14.4 21.6 69 70 A I - 0 0 0 -58,-3.0 -66,-2.6 -2,-0.3 -58,-0.4 -0.631 25.4-173.4 -97.8 141.9 7.5 12.1 23.3 70 71 A T B > -A 2 0A 31 -2,-0.3 3,-1.2 -68,-0.3 51,-0.4 -0.790 43.1-103.1-118.4 171.2 5.0 13.0 26.1 71 72 A T T 3 S+ 0 0 18 -70,-3.0 -69,-0.1 -2,-0.3 -2,-0.0 0.589 116.8 65.3 -70.5 -9.2 2.7 10.8 28.2 72 73 A A T 3 S+ 0 0 75 -71,-0.3 -1,-0.2 48,-0.1 2,-0.2 0.639 82.2 100.3 -82.3 -15.6 -0.2 12.1 25.9 73 74 A L < - 0 0 21 -3,-1.2 2,-0.5 48,-0.1 48,-0.4 -0.430 69.6-130.8 -85.0 144.3 1.0 10.5 22.6 74 75 A S - 0 0 39 -2,-0.2 -11,-0.4 46,-0.1 2,-0.3 -0.795 42.4-165.4 -80.8 128.8 -0.2 7.4 20.9 75 76 A L B -J 119 0D 0 44,-3.1 44,-1.9 -2,-0.5 2,-0.3 -0.889 28.9-153.3-122.6 145.3 3.0 5.4 20.1 76 77 A N E -I 61 0D 11 -15,-2.9 -15,-2.8 -2,-0.3 2,-0.4 -0.866 22.0-154.4-100.7 153.4 4.4 2.6 18.0 77 78 A I E +I 60 0D 0 -2,-0.3 15,-3.2 15,-0.3 2,-0.4 -0.996 14.7 176.7-131.5 129.0 7.5 0.9 19.4 78 79 A E E -IK 59 91D 41 -19,-2.0 -19,-2.7 -2,-0.4 2,-0.4 -1.000 31.6-120.2-136.2 141.8 10.1 -0.9 17.3 79 80 A F E -IK 58 90D 5 11,-1.8 11,-0.5 -2,-0.4 -21,-0.3 -0.623 17.2-160.2 -73.4 129.5 13.3 -2.7 18.1 80 81 A T S S+ 0 0 42 -23,-2.3 2,-0.5 -2,-0.4 -22,-0.1 0.598 83.1 47.4 -89.3 -15.3 16.1 -1.0 16.1 81 82 A I S S+ 0 0 90 -24,-0.8 -1,-0.2 9,-0.1 0, 0.0 -0.998 77.4 153.0-123.3 124.7 18.4 -4.0 16.4 82 83 A A - 0 0 41 -2,-0.5 8,-0.0 -3,-0.1 -2,-0.0 -0.973 48.0 -80.6-148.4 160.4 16.7 -7.4 15.7 83 84 A P > - 0 0 42 0, 0.0 3,-1.8 0, 0.0 -42,-0.0 -0.262 40.0-119.2 -63.1 151.4 17.6 -10.9 14.4 84 85 A A T 3 S+ 0 0 115 1,-0.3 -43,-0.0 -43,-0.0 0, 0.0 0.679 113.1 61.7 -65.2 -18.5 17.9 -11.2 10.7 85 86 A a T 3 S+ 0 0 64 -45,-0.1 -1,-0.3 2,-0.0 -44,-0.1 0.605 89.2 99.8 -77.5 -13.2 15.1 -13.7 10.7 86 87 A A S < S- 0 0 10 -3,-1.8 4,-0.1 1,-0.1 -4,-0.1 -0.278 79.2 -99.2 -86.1 162.2 12.7 -11.1 12.0 87 88 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 128,-0.1 -0.327 45.4 -94.7 -76.3 156.2 10.1 -9.0 10.1 88 89 A K S S+ 0 0 106 126,-1.5 2,-0.1 2,-0.1 171,-0.1 -0.984 110.7 29.4-119.8 122.0 10.8 -5.4 9.1 89 90 A P S S- 0 0 20 0, 0.0 2,-1.7 0, 0.0 -1,-0.1 0.573 83.8-143.1 -75.8 161.5 9.9 -3.2 10.9 90 91 A A E +K 79 0D 6 -11,-0.5 -11,-1.8 -2,-0.1 2,-0.3 -0.518 39.5 173.7 -87.3 66.8 10.2 -5.1 14.2 91 92 A R E -KL 78 110D 20 -2,-1.7 19,-2.4 19,-1.4 -13,-0.2 -0.618 32.6-116.3 -88.5 132.4 7.1 -3.4 15.5 92 93 A W E + L 0 109D 3 -15,-3.2 2,-0.3 -2,-0.3 -15,-0.3 -0.363 47.7 148.8 -66.4 139.5 5.4 -4.3 18.8 93 94 A R E - 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