==== 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 HYDROLASE INHIBITOR 07-MAY-00 1EYL . COMPND 2 MOLECULE: CHYMOTRYPSIN INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: PSOPHOCARPUS TETRAGONOLOBUS; . AUTHOR J.K.DATTAGUPTA,C.CHAKRABARTI,S.RAVICHANDRAN,S.GHOSH . 179 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10086.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 58.1 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 . 65 36.3 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 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 17 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.7 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 . 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 . 8 3 1 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 E 0 0 158 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-159.3 30.6 -49.4 19.3 2 3 A F - 0 0 164 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.993 360.0-146.9-129.4 119.3 27.0 -48.3 19.4 3 4 A D - 0 0 93 -2,-0.4 70,-1.1 69,-0.1 71,-0.4 0.823 15.3-164.9 -58.2 -39.3 25.3 -48.1 16.0 4 5 A D - 0 0 48 68,-0.2 69,-1.3 69,-0.1 3,-0.1 0.944 24.6-145.4 49.2 63.5 23.0 -45.2 17.0 5 6 A D B -A 72 0A 29 67,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.055 14.9 -92.8 -64.8 153.3 20.8 -45.8 13.9 6 7 A L - 0 0 2 65,-2.7 8,-2.6 8,-0.2 2,-0.4 -0.375 41.9-149.2 -62.3 141.4 19.0 -43.1 11.9 7 8 A V B -B 13 0B 15 6,-0.3 167,-0.3 -3,-0.1 6,-0.2 -0.945 6.5-131.5-120.1 138.5 15.5 -42.6 13.1 8 9 A D > - 0 0 6 4,-3.4 3,-1.8 -2,-0.4 122,-0.4 -0.154 35.5 -91.0 -83.2 178.3 12.5 -41.5 10.9 9 10 A A T 3 S+ 0 0 25 165,-3.4 166,-0.1 1,-0.3 -1,-0.1 0.646 124.6 51.4 -61.2 -25.4 10.0 -38.8 11.6 10 11 A E T 3 S- 0 0 129 164,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.261 122.6 -99.0 -97.2 8.2 7.6 -41.1 13.3 11 12 A G S < S+ 0 0 51 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.447 84.1 123.3 90.6 7.3 10.2 -42.5 15.8 12 13 A N S S- 0 0 100 1,-0.1 -4,-3.4 -5,-0.0 -1,-0.3 -0.756 70.6 -97.1-103.2 144.9 11.0 -45.7 13.9 13 14 A L B -B 7 0B 69 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.3 -0.300 44.0-108.0 -58.5 140.4 14.5 -46.8 12.7 14 15 A V - 0 0 0 -8,-2.6 57,-0.5 57,-0.2 2,-0.4 -0.509 33.0-125.7 -64.1 130.7 15.1 -45.9 9.1 15 16 A E B > -C 70 0C 104 -2,-0.3 3,-2.5 55,-0.2 47,-0.3 -0.646 22.3-115.5 -83.2 130.2 15.2 -49.0 6.9 16 17 A N T 3 S+ 0 0 36 53,-2.8 47,-0.2 -2,-0.4 3,-0.1 -0.391 104.3 11.3 -65.2 121.1 18.4 -49.4 4.8 17 18 A G T 3 S+ 0 0 28 45,-3.0 -1,-0.3 1,-0.3 46,-0.2 0.449 102.8 133.5 86.7 -0.3 17.3 -49.2 1.2 18 19 A G < - 0 0 10 -3,-2.5 44,-2.2 44,-0.5 2,-0.4 -0.344 58.3-111.8 -78.8 168.0 13.9 -47.9 2.2 19 20 A T E +D 61 0D 17 158,-0.2 158,-2.4 42,-0.2 2,-0.3 -0.792 39.4 168.6-108.9 127.4 12.1 -44.9 0.6 20 21 A Y E -DE 60 176D 2 40,-2.7 40,-3.0 -2,-0.4 2,-0.4 -0.973 35.7-119.7-131.7 154.1 11.6 -41.7 2.6 21 22 A Y E - E 0 175D 20 154,-3.3 154,-2.5 -2,-0.3 2,-1.0 -0.831 26.4-138.9 -91.4 134.1 10.5 -38.1 1.9 22 23 A L E + E 0 174D 0 36,-0.4 152,-0.2 -2,-0.4 36,-0.1 -0.829 33.7 176.6 -98.0 93.3 13.2 -35.7 2.9 23 24 A L E - E 0 173D 31 150,-2.1 150,-2.4 -2,-1.0 9,-0.1 -0.696 33.0-103.5-103.0 148.1 11.3 -32.9 4.5 24 25 A P E - E 0 172D 10 0, 0.0 148,-0.2 0, 0.0 6,-0.1 -0.413 21.2-132.3 -62.2 144.5 12.5 -29.7 6.2 25 26 A H S S+ 0 0 56 146,-1.6 2,-0.6 107,-0.1 147,-0.1 0.971 98.5 63.7 -58.0 -49.5 12.5 -29.7 10.0 26 27 A I S > S- 0 0 77 145,-0.2 3,-2.1 1,-0.2 -1,-0.1 -0.637 81.0-147.1 -82.0 120.4 10.8 -26.2 9.9 27 28 A W G > S+ 0 0 231 -2,-0.6 3,-0.9 1,-0.3 -1,-0.2 0.846 94.3 56.9 -56.1 -38.0 7.4 -26.5 8.2 28 29 A A G 3 S+ 0 0 72 1,-0.2 -1,-0.3 -3,-0.0 3,-0.1 0.525 85.9 82.2 -73.7 -9.4 7.6 -23.1 6.7 29 30 A H G < S- 0 0 107 -3,-2.1 2,-0.3 1,-0.2 -1,-0.2 0.366 103.8 -90.4 -87.7 15.5 10.8 -23.8 4.8 30 31 A G < - 0 0 2 -3,-0.9 -1,-0.2 -4,-0.1 2,-0.1 -0.826 47.1 -74.7 118.9-161.1 9.3 -25.6 1.8 31 32 A G - 0 0 1 19,-3.4 25,-0.2 1,-0.3 22,-0.1 -0.195 59.9 -46.7-119.2-150.9 8.5 -29.1 0.9 32 33 A G - 0 0 0 23,-1.7 18,-3.6 20,-0.2 25,-0.4 0.136 68.6 -70.9 -77.0-173.4 10.3 -32.3 -0.1 33 34 A I E +F 49 0D 2 23,-0.5 25,-3.3 25,-0.4 16,-0.2 -0.661 55.4 155.2 -91.0 142.3 13.0 -33.0 -2.7 34 35 A E E -F 48 0D 63 14,-3.3 14,-2.7 -2,-0.3 2,-0.3 -0.744 35.0-104.6-142.5-168.2 12.4 -32.8 -6.4 35 36 A T E -F 47 0D 41 12,-0.2 2,-0.3 -2,-0.2 12,-0.2 -0.889 25.8-174.4-127.9 157.8 14.3 -32.2 -9.6 36 37 A A E -F 46 0D 16 10,-2.1 10,-2.3 -2,-0.3 2,-0.6 -0.984 29.7-116.9-145.0 156.7 14.6 -29.2 -12.0 37 38 A K + 0 0 135 -2,-0.3 2,-0.3 7,-0.3 -2,-0.0 -0.849 47.0 169.4 -93.3 113.0 16.2 -28.5 -15.4 38 39 A T > - 0 0 9 -2,-0.6 3,-2.5 5,-0.3 5,-0.1 -0.829 41.3 -8.9-122.7 172.2 18.8 -25.7 -14.9 39 40 A G T 3 S- 0 0 70 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.144 125.8 -25.2 44.2-132.8 21.6 -24.1 -16.8 40 41 A N T 3 S+ 0 0 173 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.196 94.8 140.9 -93.7 12.7 22.4 -26.0 -20.0 41 42 A E < - 0 0 33 -3,-2.5 5,-0.0 1,-0.1 -4,-0.0 -0.341 51.0-142.5 -58.8 141.9 21.1 -29.3 -18.8 42 43 A P S S- 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.607 80.9 -1.1 -78.3 -16.6 19.2 -31.3 -21.4 43 44 A a S S- 0 0 15 -5,-0.1 2,-1.2 -7,-0.1 -5,-0.3 -0.923 107.4 -50.6-163.1 171.7 16.7 -32.5 -18.8 44 45 A P + 0 0 46 0, 0.0 -7,-0.3 0, 0.0 44,-0.1 -0.467 69.3 138.9 -60.0 100.5 15.9 -32.2 -15.1 45 46 A L + 0 0 13 -2,-1.2 61,-2.4 -9,-0.6 2,-0.5 0.276 39.0 97.9-124.8 4.3 19.2 -33.1 -13.5 46 47 A T E -FG 36 105D 2 -10,-2.3 -10,-2.1 59,-0.2 2,-0.5 -0.871 67.2-137.6 -99.4 131.5 19.4 -30.6 -10.7 47 48 A V E +F 35 0D 0 57,-1.9 115,-2.5 -2,-0.5 2,-0.3 -0.791 36.8 163.7 -88.4 128.4 18.3 -31.7 -7.2 48 49 A V E -FH 34 161D 7 -14,-2.7 -14,-3.3 -2,-0.5 2,-0.4 -0.866 40.0-107.2-139.6 167.2 16.1 -29.1 -5.5 49 50 A R E -FH 33 160D 18 111,-2.6 111,-0.6 -2,-0.3 -16,-0.2 -0.860 40.0-116.3 -94.5 131.7 13.7 -28.5 -2.6 50 51 A S - 0 0 3 -18,-3.6 -19,-3.4 -2,-0.4 109,-0.0 -0.437 11.2-146.4 -61.0 140.3 10.0 -28.0 -3.6 51 52 A P S S+ 0 0 77 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.537 74.3 98.4 -83.3 -13.4 8.6 -24.6 -2.7 52 53 A N > - 0 0 85 1,-0.2 3,-1.2 -20,-0.1 -20,-0.2 -0.722 63.6-156.5 -79.2 112.4 5.2 -26.1 -1.9 53 54 A E T 3 S+ 0 0 110 -2,-0.7 -1,-0.2 1,-0.3 -24,-0.1 0.715 93.1 51.3 -62.6 -23.0 5.0 -26.5 1.9 54 55 A V T 3 S+ 0 0 124 -23,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.625 88.6 101.2 -88.7 -11.0 2.4 -29.2 1.6 55 56 A S < - 0 0 35 -3,-1.2 -23,-1.7 1,-0.2 -5,-0.1 -0.586 55.9-161.4 -81.3 130.6 4.4 -31.2 -1.0 56 57 A K - 0 0 84 -2,-0.4 -23,-0.5 1,-0.3 -34,-0.3 0.522 35.6-148.4 -80.5 -6.9 6.3 -34.3 0.4 57 58 A G - 0 0 13 -25,-0.4 -1,-0.3 -36,-0.1 -23,-0.2 -0.316 44.4 -23.1 68.8-155.5 8.4 -34.1 -2.8 58 59 A E - 0 0 66 -25,-3.3 -36,-0.4 -36,-0.1 -25,-0.4 -0.676 67.7-105.8 -90.8 152.2 9.7 -37.4 -4.2 59 60 A P - 0 0 24 0, 0.0 23,-2.3 0, 0.0 24,-0.5 -0.417 40.1-154.0 -71.6 133.9 10.3 -40.6 -2.4 60 61 A I E -DI 20 81D 0 -40,-3.0 -40,-2.7 21,-0.2 2,-0.4 -0.968 9.1-136.5-118.8 129.2 14.0 -41.0 -1.8 61 62 A R E -DI 19 80D 86 19,-3.3 19,-2.0 -2,-0.5 2,-0.6 -0.655 17.1-159.3 -81.3 127.9 15.8 -44.3 -1.4 62 63 A I E + I 0 79D 0 -44,-2.2 -45,-3.0 -2,-0.4 -44,-0.5 -0.962 15.8 177.3-112.8 111.9 18.4 -44.1 1.4 63 64 A S E - I 0 78D 27 15,-2.4 15,-2.6 -2,-0.6 2,-0.1 -0.958 14.8-151.0-123.4 131.6 21.1 -46.8 1.1 64 65 A S E - I 0 77D 13 -2,-0.5 13,-0.2 13,-0.2 7,-0.0 -0.331 32.3-109.4 -89.9 172.9 24.1 -47.4 3.2 65 66 A Q S S+ 0 0 87 11,-1.1 2,-0.1 -2,-0.1 -1,-0.1 0.694 97.5 74.3 -71.3 -17.5 27.4 -49.0 2.3 66 67 A F S S- 0 0 108 1,-0.1 -2,-0.2 2,-0.0 9,-0.0 -0.449 81.8-125.9 -97.8 168.1 26.4 -52.0 4.4 67 68 A L + 0 0 179 -2,-0.1 -1,-0.1 2,-0.0 -51,-0.0 0.510 68.1 126.3 -82.4 -9.1 24.1 -55.0 4.2 68 69 A S - 0 0 44 1,-0.1 -4,-0.2 2,-0.1 -52,-0.1 -0.010 68.9-124.3 -55.4 158.4 22.4 -54.1 7.5 69 70 A L S S+ 0 0 138 -54,-0.1 -53,-2.8 -52,-0.0 2,-0.2 0.788 94.4 30.0 -73.7 -29.2 18.7 -53.7 8.0 70 71 A F B S-C 15 0C 74 -55,-0.3 -55,-0.2 -53,-0.1 -6,-0.1 -0.553 86.7-106.9-119.6-174.2 19.1 -50.2 9.5 71 72 A I - 0 0 1 -57,-0.5 -65,-2.7 -65,-0.3 -57,-0.2 -0.876 18.4-140.2-128.8 107.3 21.6 -47.4 9.1 72 73 A P B > -A 5 0A 20 0, 0.0 3,-2.4 0, 0.0 -67,-0.2 -0.368 29.0-121.8 -57.1 139.3 24.2 -46.5 11.8 73 74 A R T 3 S+ 0 0 85 -69,-1.3 48,-0.2 -70,-1.1 -69,-0.1 0.679 110.0 56.5 -67.7 -17.9 24.4 -42.7 11.8 74 75 A G T 3 S+ 0 0 51 -71,-0.4 -1,-0.3 46,-0.1 2,-0.2 0.301 86.6 115.2 -90.2 10.9 28.1 -42.6 11.1 75 76 A S S < S- 0 0 4 -3,-2.4 46,-0.4 46,-0.1 2,-0.2 -0.498 70.7-121.7 -77.2 145.3 27.5 -44.6 7.9 76 77 A L - 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