==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE INHIBITOR 30-NOV-95 1WBC . COMPND 2 MOLECULE: CHYMOTRYPSIN INHIBITOR (WCI); . SOURCE 2 ORGANISM_SCIENTIFIC: PSOPHOCARPUS TETRAGONOLOBUS; . AUTHOR J.K.DATTAGUPTA,A.PODDER,C.CHAKRABARTI,U.SEN,S.K.DUTTA, . 183 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 31.1 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 32 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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 . 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 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 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 1 1 2 4 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 0 0 0 0 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 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 0 130 0, 0.0 120,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 144.2 21.2 -43.3 19.2 2 2 A D + 0 0 114 2,-0.1 69,-3.2 68,-0.1 0, 0.0 0.829 360.0 64.3 -91.1 -36.6 23.8 -45.0 17.0 3 3 A D B S-A 70 0A 42 67,-0.3 2,-0.5 1,-0.1 69,-0.0 -0.223 96.5 -99.8 -74.1 172.3 21.2 -46.3 14.4 4 4 A L - 0 0 3 65,-1.9 8,-2.5 8,-0.2 2,-0.4 -0.831 39.2-165.6 -97.5 135.0 19.2 -44.0 12.2 5 5 A V B -B 11 0B 5 -2,-0.5 167,-0.3 6,-0.3 6,-0.2 -0.958 5.1-146.0-122.7 135.6 15.6 -43.4 13.3 6 6 A D > - 0 0 1 4,-2.8 3,-0.7 -2,-0.4 122,-0.3 0.193 38.1 -78.4 -82.4-157.9 12.8 -41.9 11.4 7 7 A A T 3 S+ 0 0 34 165,-1.7 166,-0.1 1,-0.2 -1,-0.0 0.737 124.8 51.8 -77.9 -30.0 9.8 -39.7 12.3 8 8 A E T 3 S- 0 0 122 2,-0.1 -1,-0.2 119,-0.1 3,-0.1 -0.042 121.5-107.1 -97.6 28.1 7.4 -42.2 13.8 9 9 A G S < S+ 0 0 46 -3,-0.7 -2,-0.1 1,-0.2 2,-0.1 0.427 80.7 129.6 61.1 6.7 10.4 -43.2 16.0 10 10 A N - 0 0 89 1,-0.1 -4,-2.8 -5,-0.1 2,-0.2 -0.372 67.1 -89.8 -85.6 164.9 10.9 -46.4 14.1 11 11 A L B -B 5 0B 71 -6,-0.2 2,-1.1 -2,-0.1 -6,-0.3 -0.561 40.6-107.1 -80.8 141.5 14.3 -47.5 12.6 12 12 A V - 0 0 0 -8,-2.5 57,-1.2 57,-0.2 -8,-0.2 -0.561 39.2-130.6 -71.7 99.0 15.3 -46.4 9.1 13 13 A E B > -C 68 0C 125 -2,-1.1 3,-1.1 55,-0.2 2,-0.6 -0.049 28.3-100.0 -46.9 144.5 15.0 -49.7 7.1 14 14 A N T 3 S- 0 0 34 53,-2.9 47,-0.2 1,-0.3 -1,-0.1 -0.566 102.3 -2.4 -79.9 118.1 18.0 -50.4 4.9 15 15 A G T 3 S+ 0 0 20 45,-3.0 -1,-0.3 -2,-0.6 2,-0.2 0.935 99.3 147.1 72.3 41.1 17.5 -49.4 1.3 16 16 A G E < -D 60 0D 12 -3,-1.1 44,-2.0 44,-0.7 2,-0.5 -0.650 52.8-106.0-103.4 164.7 13.9 -48.4 2.1 17 17 A T E +D 59 0D 14 -2,-0.2 158,-2.9 42,-0.2 42,-0.2 -0.850 45.9 172.8 -99.2 127.5 12.1 -45.6 0.3 18 18 A Y E -DE 58 174D 8 40,-1.8 40,-2.3 -2,-0.5 2,-0.5 -0.731 35.5-122.2-127.3 173.8 11.6 -42.3 2.2 19 19 A Y E - E 0 173D 40 154,-2.3 154,-1.7 -2,-0.2 2,-1.0 -0.977 23.6-148.0-115.9 125.2 10.4 -38.7 2.0 20 20 A L E + E 0 172D 1 36,-0.5 10,-0.3 -2,-0.5 152,-0.2 -0.579 31.5 167.6 -99.7 72.0 13.1 -36.2 3.0 21 21 A L E - E 0 171D 22 150,-1.0 150,-2.4 -2,-1.0 2,-0.2 -0.244 33.8-101.9 -79.4 165.1 11.1 -33.4 4.6 22 22 A P - 0 0 11 0, 0.0 148,-0.2 0, 0.0 -1,-0.1 -0.614 16.8-124.5 -93.5 155.3 12.4 -30.5 6.6 23 23 A H S S+ 0 0 62 -2,-0.2 2,-0.3 107,-0.2 147,-0.1 0.981 98.0 59.0 -51.5 -70.0 12.4 -30.0 10.4 24 24 A I S S- 0 0 83 1,-0.1 3,-0.3 2,-0.1 4,-0.2 -0.502 83.5-137.1 -69.4 128.3 10.7 -26.6 10.3 25 25 A W S > S+ 0 0 240 -2,-0.3 2,-1.9 1,-0.2 3,-0.9 0.921 93.4 60.5 -51.8 -51.5 7.2 -26.8 8.7 26 26 A A T 3 S+ 0 0 69 1,-0.2 -1,-0.2 -3,-0.0 3,-0.1 -0.387 80.9 81.4 -81.8 63.8 7.5 -23.7 6.7 27 27 A H T 3 S- 0 0 95 -2,-1.9 2,-0.3 1,-0.7 -1,-0.2 0.436 102.3 -89.2-137.1 -7.5 10.6 -24.4 4.4 28 28 A G < - 0 0 3 -3,-0.9 -1,-0.7 -4,-0.2 23,-0.1 -0.791 39.6-130.0 121.4-165.4 9.2 -26.4 1.6 29 29 A G + 0 0 2 19,-1.8 24,-0.2 -2,-0.3 2,-0.2 -0.006 59.1 54.9 174.1 76.5 9.0 -30.1 1.7 30 30 A G - 0 0 0 -10,-0.3 18,-1.2 18,-0.1 2,-0.4 -0.728 59.5-126.3 160.0 138.5 10.1 -32.6 -0.9 31 31 A I E +Kl 47 55E 2 23,-0.5 25,-1.5 25,-0.4 16,-0.3 -0.868 45.9 156.1-101.7 141.3 13.3 -33.3 -2.7 32 32 A E E -K 46 0E 50 14,-2.1 14,-1.4 -2,-0.4 2,-0.4 -0.723 40.9 -93.0-142.8-160.6 12.7 -33.3 -6.5 33 33 A T E +K 45 0E 32 12,-0.3 2,-0.4 -2,-0.2 12,-0.2 -0.964 32.7 176.5-136.6 112.4 14.3 -33.0 -9.8 34 34 A A E -K 44 0E 22 10,-3.3 10,-1.4 -2,-0.4 2,-0.8 -0.910 28.6-128.6-114.2 145.7 14.4 -29.7 -11.8 35 35 A K + 0 0 110 -2,-0.4 2,-0.2 7,-0.2 -2,-0.0 -0.841 42.2 158.9 -94.5 106.4 16.1 -29.2 -15.1 36 36 A T > + 0 0 19 -2,-0.8 3,-1.5 5,-0.2 5,-0.2 -0.673 48.0 13.0-119.9 177.8 18.4 -26.2 -14.9 37 37 A G T 3 S- 0 0 76 1,-0.2 -2,-0.0 -2,-0.2 7,-0.0 -0.287 123.4 -46.1 54.3-135.9 21.5 -25.1 -16.9 38 38 A N T 3 S+ 0 0 144 2,-0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.356 82.3 146.1-125.9 54.6 21.5 -27.2 -20.0 39 39 A E < - 0 0 19 -3,-1.5 5,-0.0 1,-0.1 4,-0.0 -0.713 58.2-126.3 -79.9 133.8 20.9 -30.6 -18.8 40 40 A P S S- 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.518 86.7 -5.0 -66.4 8.4 18.9 -32.1 -21.6 41 41 A a S S- 0 0 16 -5,-0.2 2,-1.0 -7,-0.1 3,-0.2 -0.934 108.3 -41.1-176.0-176.9 16.3 -33.0 -18.9 42 42 A P S S+ 0 0 46 0, 0.0 -7,-0.2 0, 0.0 43,-0.0 -0.527 70.1 127.6 -74.0 99.1 15.7 -33.0 -15.0 43 43 A L + 0 0 9 -2,-1.0 61,-0.9 -9,-0.4 2,-0.8 0.475 41.2 101.8-124.1 -16.2 18.9 -34.0 -13.2 44 44 A T E S-KM 34 103E 4 -10,-1.4 -10,-3.3 -3,-0.2 2,-0.5 -0.640 72.4-134.8 -78.2 114.1 19.3 -31.1 -10.8 45 45 A V E +K 33 0E 0 57,-0.8 115,-1.3 -2,-0.8 -12,-0.3 -0.578 37.8 170.7 -68.5 113.6 18.1 -32.3 -7.4 46 46 A V E -K 32 0E 13 -14,-1.4 -14,-2.1 -2,-0.5 2,-0.4 -0.364 34.2-109.5-113.1-168.4 15.8 -29.5 -6.0 47 47 A R E -K 31 0E 5 -16,-0.3 -16,-0.3 -2,-0.1 111,-0.1 -0.907 37.9-109.1-135.5 105.5 13.4 -29.0 -3.0 48 48 A S - 0 0 0 -18,-1.2 -19,-1.8 -2,-0.4 5,-0.2 0.032 20.2-149.2 -32.9 120.5 9.5 -28.8 -3.7 49 49 A P S S+ 0 0 81 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.825 76.7 86.0 -66.8 -35.0 8.3 -25.2 -3.1 50 50 A N S > S- 0 0 79 1,-0.2 3,-0.7 3,-0.1 -21,-0.1 -0.609 72.9-148.9 -75.0 112.7 4.9 -26.3 -2.0 51 51 A E T 3 S+ 0 0 115 -2,-0.7 2,-2.0 1,-0.3 -1,-0.2 0.901 97.3 51.3 -45.5 -54.5 5.1 -27.0 1.8 52 52 A V T 3 S+ 0 0 126 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 -0.298 86.8 103.2 -82.6 53.7 2.5 -29.7 1.6 53 53 A S < - 0 0 32 -2,-2.0 -24,-0.2 -3,-0.7 -1,-0.2 -0.539 55.8-165.7-136.4 71.0 4.3 -31.4 -1.2 54 54 A K - 0 0 111 -2,-0.1 -23,-0.5 -24,-0.1 -34,-0.3 0.599 29.7-153.5 -26.8 -27.2 6.1 -34.4 0.2 55 55 A G B -l 31 0E 13 -25,-0.3 -23,-0.2 -36,-0.1 -1,-0.1 -0.012 39.5 -22.7 67.2-179.9 8.1 -34.5 -3.1 56 56 A E - 0 0 60 -25,-1.5 -36,-0.5 1,-0.1 -25,-0.4 -0.051 64.2-107.5 -68.3 155.8 9.6 -37.7 -4.3 57 57 A P - 0 0 7 0, 0.0 23,-1.1 0, 0.0 2,-0.4 -0.501 33.3-152.3 -74.7 150.6 10.5 -41.0 -2.5 58 58 A I E -DF 18 79D 0 -40,-2.3 -40,-1.8 21,-0.2 2,-0.2 -0.955 10.0-134.9-137.4 119.6 14.2 -41.7 -2.0 59 59 A R E -DF 17 78D 100 19,-1.7 19,-0.8 -2,-0.4 2,-0.6 -0.478 19.4-160.2 -67.1 131.6 16.0 -45.0 -1.6 60 60 A I E +DF 16 77D 0 -44,-2.0 -45,-3.0 -2,-0.2 -44,-0.7 -0.886 19.4 167.5-121.0 100.2 18.4 -44.9 1.2 61 61 A S E - F 0 76D 29 15,-1.7 15,-1.8 -2,-0.6 2,-0.2 -0.738 15.9-157.2-111.6 162.1 21.1 -47.6 1.0 62 62 A S E - F 0 75D 21 -2,-0.3 13,-0.2 2,-0.3 4,-0.1 -0.691 31.8-108.2-125.2-177.4 24.3 -48.2 2.8 63 63 A Q S S+ 0 0 119 11,-0.6 12,-0.1 -2,-0.2 6,-0.0 0.648 91.7 82.4 -84.7 -21.8 27.6 -50.1 2.2 64 64 A F S S- 0 0 102 1,-0.1 2,-0.7 0, 0.0 -2,-0.3 -0.129 84.1-120.0 -80.8 174.0 26.8 -52.7 4.8 65 65 A L + 0 0 179 3,-0.0 2,-0.3 0, 0.0 -2,-0.1 -0.856 68.6 135.6-111.4 76.2 24.7 -55.9 4.8 66 66 A S - 0 0 39 -2,-0.7 -4,-0.1 1,-0.1 3,-0.1 -0.895 62.2-140.8-122.6 158.5 22.4 -54.6 7.5 67 67 A L S S+ 0 0 138 -2,-0.3 -53,-2.9 1,-0.1 2,-0.3 0.694 97.8 32.9 -89.1 -19.8 18.7 -54.6 7.9 68 68 A F B S-C 13 0C 93 -55,-0.2 -55,-0.2 -54,-0.1 -1,-0.1 -0.889 84.0-123.8-130.9 157.8 19.1 -51.1 9.3 69 69 A I - 0 0 1 -57,-1.2 -65,-1.9 -2,-0.3 2,-0.3 -0.919 25.0-149.5-108.4 116.4 21.6 -48.2 8.6 70 70 A P B > -A 3 0A 27 0, 0.0 3,-2.4 0, 0.0 -67,-0.3 -0.725 30.5 -94.4 -88.4 142.6 23.6 -46.9 11.6 71 71 A R T 3 S+ 0 0 115 -69,-3.2 3,-0.1 -2,-0.3 49,-0.1 -0.186 114.0 47.6 -51.5 144.9 24.8 -43.3 11.9 72 72 A G T 3 S+ 0 0 40 47,-0.6 -1,-0.3 1,-0.4 -69,-0.1 -0.333 81.5 123.3 112.0 -44.2 28.3 -43.1 10.6 73 73 A S < - 0 0 10 -3,-2.4 46,-0.5 1,-0.1 -1,-0.4 -0.208 63.5-130.1 -56.2 126.8 27.5 -45.1 7.5 74 74 A L - 0 0 24 44,-0.1 -11,-0.6 -3,-0.1 2,-0.3 -0.500 39.4-163.8 -66.9 152.1 28.3 -43.4 4.3 75 75 A V E -FG 62 117D 0 42,-0.7 42,-0.9 -2,-0.2 2,-0.5 -0.948 25.9-137.3-146.6 160.3 25.2 -43.6 2.2 76 76 A A E -F 61 0D 5 -15,-1.8 -15,-1.7 -2,-0.3 2,-0.2 -0.972 21.0-164.4-121.8 116.4 23.8 -43.3 -1.3 77 77 A L E +F 60 0D 0 -2,-0.5 14,-2.0 37,-0.3 -17,-0.2 -0.610 14.4 171.5 -94.9 159.3 20.5 -41.6 -1.8 78 78 A G E -FH 59 90D 0 -19,-0.8 -19,-1.7 12,-0.3 12,-0.3 -0.585 42.6-104.4-178.8 121.4 18.5 -41.8 -4.9 79 79 A F E -F 58 0D 0 10,-0.7 -21,-0.2 -21,-0.2 9,-0.1 -0.073 30.7-148.6 -41.2 107.6 15.2 -41.0 -6.6 80 80 A A S S+ 0 0 25 -23,-1.1 -1,-0.2 1,-0.3 -22,-0.1 0.585 98.5 40.7 -57.5 -18.0 13.5 -44.4 -6.5 81 81 A N S S- 0 0 48 -24,-0.4 -1,-0.3 8,-0.1 -2,-0.1 -0.805 91.3-169.3-130.5 80.0 11.8 -43.3 -9.8 82 82 A P - 0 0 45 0, 0.0 4,-0.1 0, 0.0 2,-0.1 -0.465 29.2 -96.8 -74.3 151.1 14.6 -41.5 -11.6 83 83 A P - 0 0 25 0, 0.0 4,-0.3 0, 0.0 -42,-0.0 -0.438 41.4-102.6 -68.6 140.2 13.9 -39.4 -14.7 84 84 A S S S+ 0 0 124 1,-0.2 2,-2.4 2,-0.1 -43,-0.0 0.760 116.6 63.9 -30.4 -55.2 14.6 -41.2 -18.1 85 85 A a S S+ 0 0 25 1,-0.1 -1,-0.2 2,-0.1 22,-0.1 -0.565 97.1 63.3 -77.3 78.4 17.9 -39.5 -18.7 86 86 A A - 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