==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 13-MAY-04 1T8M . COMPND 2 MOLECULE: CHYMOTRYPSIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR H.CZAPINSKA,R.HELLAND,J.OTLEWSKI,A.O.SMALAS . 594 8 16 12 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 176 29.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 . 53 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 4 2 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 . 10 6 2 8 6 4 2 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 2 0 0 2 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 a 0 0 103 0, 0.0 117,-0.2 0, 0.0 118,-0.1 0.000 360.0 360.0 360.0 162.9 13.3 -50.5 -7.6 2 2 A G + 0 0 1 115,-2.1 201,-2.4 200,-0.2 116,-0.1 0.541 360.0 106.7 65.1 10.1 15.1 -47.2 -7.3 3 3 A V - 0 0 101 114,-0.4 2,-0.2 199,-0.2 -1,-0.1 -0.880 59.1-149.9-125.5 99.8 16.1 -47.0 -10.9 4 4 A P - 0 0 4 0, 0.0 19,-0.1 0, 0.0 110,-0.1 -0.436 12.6-143.2 -67.8 135.2 14.2 -44.4 -13.0 5 5 A A S S+ 0 0 69 108,-0.5 2,-0.6 107,-0.2 109,-0.1 0.829 100.6 51.1 -65.2 -29.7 13.7 -45.3 -16.7 6 6 A I S S- 0 0 40 16,-0.4 -1,-0.2 107,-0.4 14,-0.1 -0.937 96.8-131.3-111.0 111.3 14.2 -41.6 -17.2 7 7 A Q - 0 0 122 -2,-0.6 16,-0.1 1,-0.1 17,-0.1 -0.384 20.1-126.0 -65.4 133.0 17.3 -40.3 -15.5 8 8 A P - 0 0 19 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.392 12.6-134.0 -76.0 156.6 16.9 -37.2 -13.3 9 9 A V - 0 0 92 -2,-0.1 2,-0.1 2,-0.0 11,-0.1 -0.932 25.8-162.8-115.7 107.3 19.0 -34.2 -13.8 10 10 A L 0 0 59 -2,-0.6 124,-0.0 9,-0.1 9,-0.0 -0.417 360.0 360.0 -88.5 163.8 20.3 -32.8 -10.5 11 11 A S 0 0 136 -2,-0.1 -2,-0.0 6,-0.0 5,-0.0 0.076 360.0 360.0 62.8 360.0 21.8 -29.4 -9.6 12 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 13 16 A I > 0 0 1 0, 0.0 3,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 121.3 10.1 -27.2 -2.1 14 17 A V B 3 -A 185 0A 16 171,-2.9 171,-1.1 1,-0.2 128,-0.1 -0.718 360.0 -0.2 -89.1 132.3 11.6 -23.8 -1.7 15 18 A N T 3 S+ 0 0 106 126,-0.7 -1,-0.2 -2,-0.4 2,-0.1 0.769 101.8 123.2 63.1 29.4 14.6 -22.9 -3.8 16 19 A G < - 0 0 23 -3,-0.7 2,-0.3 169,-0.1 138,-0.2 -0.066 56.8-113.1 -97.5-156.7 14.6 -26.3 -5.6 17 20 A E E -B 153 0B 55 136,-2.8 136,-2.5 -2,-0.1 2,-0.1 -0.950 28.6 -87.8-141.6 161.3 14.3 -26.9 -9.3 18 21 A E E -B 152 0B 94 -2,-0.3 134,-0.2 134,-0.2 2,-0.2 -0.465 47.6-129.4 -68.7 138.0 11.9 -28.3 -11.8 19 22 A A - 0 0 2 132,-2.5 -1,-0.1 -2,-0.1 132,-0.1 -0.537 24.6 -97.5 -88.8 156.0 12.4 -32.1 -12.3 20 23 A V > - 0 0 46 -2,-0.2 3,-2.4 1,-0.1 4,-0.2 -0.569 59.0 -92.7 -68.7 131.5 12.8 -33.8 -15.6 21 24 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.225 106.8 1.9 -50.8 125.5 9.3 -35.2 -16.4 22 25 A G T 3 S+ 0 0 15 45,-0.2 -16,-0.4 2,-0.1 -17,-0.2 0.469 91.6 122.6 76.1 3.3 8.9 -38.8 -15.1 23 26 A S S < S+ 0 0 0 -3,-2.4 -1,-0.1 1,-0.3 3,-0.1 0.506 75.3 47.5 -76.1 -4.3 12.4 -38.9 -13.5 24 27 A W S > S+ 0 0 7 -4,-0.2 3,-2.0 90,-0.1 -1,-0.3 -0.576 72.0 172.4-132.8 67.0 11.0 -39.7 -10.1 25 28 A P T 3 S+ 0 0 1 0, 0.0 91,-1.0 0, 0.0 41,-0.3 0.583 71.8 59.0 -53.1 -19.3 8.5 -42.5 -11.1 26 29 A W T 3 S+ 0 0 0 89,-0.2 17,-2.0 91,-0.1 2,-0.3 0.651 79.4 106.6 -88.0 -16.2 7.7 -43.4 -7.5 27 30 A Q E < +K 42 0C 4 -3,-2.0 39,-0.5 15,-0.2 40,-0.4 -0.460 49.0 179.9 -66.6 124.6 6.4 -39.9 -6.6 28 31 A V E -KL 41 65C 0 13,-2.2 13,-1.3 -2,-0.3 2,-0.5 -0.852 24.9-130.1-122.7 161.3 2.6 -39.9 -6.3 29 32 A S E -KL 40 64C 0 35,-2.2 35,-2.5 -2,-0.3 2,-0.6 -0.948 15.6-146.2-111.6 128.8 0.2 -37.1 -5.5 30 33 A L E +KL 39 63C 1 9,-3.3 8,-2.4 -2,-0.5 9,-1.3 -0.877 30.0 173.2 -97.2 122.2 -2.4 -37.8 -2.9 31 34 A Q E -KL 37 62C 13 31,-2.4 31,-3.0 -2,-0.6 6,-0.2 -0.885 30.3-118.7-129.8 158.1 -5.7 -36.0 -3.7 32 35 A D > - 0 0 35 4,-1.5 3,-2.2 -2,-0.3 29,-0.1 -0.288 53.6 -81.3 -83.9 178.9 -9.3 -35.8 -2.5 33 36 A K T 3 S+ 0 0 126 1,-0.3 -1,-0.1 2,-0.1 28,-0.1 0.671 130.6 53.9 -55.4 -18.5 -12.2 -36.8 -4.7 34 37 A T T 3 S- 0 0 20 2,-0.1 -1,-0.3 563,-0.0 565,-0.1 0.549 122.0-100.8 -94.6 -8.4 -12.1 -33.4 -6.4 35 38 A G < + 0 0 37 -3,-2.2 2,-0.6 1,-0.3 -2,-0.1 0.535 68.2 153.1 100.9 9.4 -8.5 -33.6 -7.4 36 39 A F - 0 0 16 -4,-0.1 -4,-1.5 1,-0.1 2,-0.4 -0.637 41.1-134.9 -80.0 116.6 -7.1 -31.4 -4.7 37 40 A H E +K 31 0C 3 -2,-0.6 -6,-0.2 -6,-0.2 3,-0.1 -0.552 38.5 156.3 -71.9 120.1 -3.5 -32.2 -3.9 38 41 A F E + 0 0 15 -8,-2.4 221,-2.4 -2,-0.4 2,-0.3 0.556 62.8 3.4-119.5 -14.8 -2.9 -32.4 -0.1 39 42 A b E -K 30 0C 0 -9,-1.3 -9,-3.3 219,-0.2 -1,-0.3 -0.985 61.2-124.8-163.7 164.2 0.2 -34.6 0.2 40 43 A G E -K 29 0C 1 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.516 26.7-178.1-106.2 178.3 2.8 -36.6 -1.7 41 44 A G E -K 28 0C 0 -13,-1.3 -13,-2.2 -2,-0.2 2,-0.4 -0.967 21.0-120.6-165.8 173.4 3.7 -40.2 -1.4 42 45 A S E -KM 27 50C 1 8,-2.2 8,-2.9 -2,-0.3 2,-0.3 -0.993 18.4-131.5-133.8 129.8 6.0 -42.9 -2.7 43 46 A L E + M 0 49C 0 -17,-2.0 75,-2.5 -2,-0.4 6,-0.2 -0.613 21.3 179.0 -75.1 130.5 5.2 -46.2 -4.5 44 47 A I E S- 0 0 17 4,-2.2 2,-0.3 1,-0.4 -1,-0.2 0.514 72.0 -21.0-107.7 -11.1 7.1 -49.1 -2.9 45 48 A N E > S- M 0 48C 38 3,-1.0 3,-0.5 71,-0.1 -1,-0.4 -0.925 88.8 -70.6-175.2-178.1 5.5 -51.7 -5.3 46 49 A E T 3 S+ 0 0 89 -2,-0.3 63,-3.0 1,-0.2 3,-0.1 0.654 127.9 33.6 -66.9 -15.2 2.5 -52.0 -7.5 47 50 A N T 3 S+ 0 0 64 61,-0.2 58,-2.5 1,-0.1 2,-0.4 0.456 110.0 63.6-119.4 -2.4 -0.0 -52.2 -4.7 48 51 A W E < -MN 45 104C 14 -3,-0.5 -4,-2.2 56,-0.2 -3,-1.0 -0.971 48.5-170.9-133.7 144.4 1.3 -50.1 -1.9 49 52 A V E -MN 43 103C 0 54,-2.1 54,-3.1 -2,-0.4 2,-0.4 -0.980 13.8-148.9-127.4 137.3 2.2 -46.4 -1.3 50 53 A V E +MN 42 102C 2 -8,-2.9 -8,-2.2 -2,-0.4 2,-0.2 -0.900 31.4 147.9-107.3 135.1 4.1 -45.1 1.8 51 54 A T E - N 0 101C 0 50,-2.9 50,-2.3 -2,-0.4 2,-0.3 -0.764 48.6 -65.4-146.1-169.1 3.2 -41.6 3.0 52 55 A A > - 0 0 0 -12,-0.4 3,-0.9 48,-0.3 5,-0.4 -0.653 30.6-136.7 -90.5 147.2 3.1 -39.6 6.3 53 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.7 1,-0.2 -1,-0.1 0.867 102.8 61.8 -68.1 -35.7 0.6 -40.4 9.0 54 57 A H G 3 S+ 0 0 8 1,-0.3 -1,-0.2 2,-0.1 204,-0.1 0.625 84.4 78.3 -68.2 -10.3 -0.2 -36.7 9.6 55 58 A b G < S- 0 0 4 -3,-0.9 -1,-0.3 1,-0.1 -2,-0.2 0.721 90.1-147.0 -69.1 -19.5 -1.5 -36.5 6.0 56 59 A G < - 0 0 50 -3,-1.7 -2,-0.1 -4,-0.2 -3,-0.1 0.827 21.9-171.2 56.9 38.8 -4.7 -38.2 7.3 57 60 A V - 0 0 13 -5,-0.4 2,-0.3 -4,-0.1 -1,-0.1 -0.251 3.0-171.5 -61.0 145.3 -5.4 -40.1 4.1 58 61 A T > - 0 0 64 26,-0.0 3,-1.5 45,-0.0 24,-0.1 -0.824 41.2 -98.1-131.0 172.0 -8.7 -42.0 3.9 59 62 A T T 3 S+ 0 0 86 -2,-0.3 23,-0.5 1,-0.3 -2,-0.1 0.581 119.4 65.7 -69.1 -8.0 -10.3 -44.5 1.5 60 63 A S T 3 S+ 0 0 79 21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.664 89.9 81.4 -85.3 -18.5 -12.1 -41.5 -0.1 61 64 A D S < S- 0 0 20 -3,-1.5 21,-0.8 -29,-0.1 2,-0.3 -0.300 73.4-135.7 -81.4 170.3 -8.8 -40.0 -1.3 62 65 A V E -LO 31 81C 30 -31,-3.0 -31,-2.4 19,-0.2 2,-0.5 -0.954 5.4-131.0-133.4 151.4 -6.9 -41.1 -4.4 63 66 A V E -LO 30 80C 0 17,-3.1 17,-3.8 -2,-0.3 2,-0.6 -0.870 20.1-160.8 -99.4 125.1 -3.4 -41.9 -5.5 64 67 A V E -LO 29 79C 0 -35,-2.5 -35,-2.2 -2,-0.5 3,-0.3 -0.923 13.9-176.9-111.3 111.8 -2.3 -40.2 -8.7 65 68 A A E +LO 28 78C 0 13,-2.4 13,-2.4 -2,-0.6 -37,-0.1 -0.731 58.1 29.6-107.7 156.4 0.8 -41.8 -10.3 66 69 A G S S+ 0 0 13 -39,-0.5 2,-0.3 48,-0.4 -1,-0.2 0.659 83.8 143.6 74.7 17.9 2.8 -40.9 -13.4 67 70 A E + 0 0 21 -40,-0.4 -1,-0.2 -3,-0.3 -45,-0.2 -0.630 18.4 153.1 -94.4 148.1 2.0 -37.2 -12.9 68 71 A F S S+ 0 0 16 -2,-0.3 83,-1.9 1,-0.2 2,-0.7 0.525 72.4 38.7-130.8 -56.1 4.4 -34.3 -13.7 69 72 A D B > -Q 150 0D 26 81,-0.2 3,-1.8 1,-0.1 81,-0.3 -0.885 57.9-172.3-107.7 102.7 2.3 -31.2 -14.5 70 73 A Q T 3 S+ 0 0 41 79,-3.0 -1,-0.1 -2,-0.7 80,-0.1 0.618 86.2 62.8 -69.6 -10.3 -0.8 -31.0 -12.3 71 74 A G T 3 S+ 0 0 44 78,-0.1 2,-0.7 1,-0.1 -1,-0.3 0.466 84.2 90.5 -91.5 -2.5 -2.0 -28.1 -14.5 72 75 A S < - 0 0 38 -3,-1.8 -4,-0.1 77,-0.2 -3,-0.1 -0.846 50.5-176.8 -99.1 110.2 -2.1 -30.3 -17.6 73 76 A S S S+ 0 0 132 -2,-0.7 -1,-0.1 1,-0.2 -3,-0.0 0.655 85.6 53.4 -77.8 -15.0 -5.6 -31.9 -18.0 74 77 A S S S+ 0 0 100 2,-0.1 -1,-0.2 0, 0.0 3,-0.1 0.760 79.3 112.2 -89.4 -28.8 -4.3 -33.8 -21.0 75 78 A E S S- 0 0 48 -6,-0.2 2,-0.5 1,-0.1 -8,-0.0 -0.149 74.8-115.7 -47.8 133.9 -1.3 -35.4 -19.4 76 79 A K + 0 0 197 -10,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.642 50.6 153.4 -79.6 124.3 -1.7 -39.2 -19.0 77 80 A I - 0 0 58 -2,-0.5 2,-0.5 -3,-0.1 -11,-0.2 -0.827 42.8-113.2-140.1 177.5 -1.8 -40.4 -15.4 78 81 A Q E -O 65 0C 41 -13,-2.4 -13,-2.4 -2,-0.3 2,-0.9 -0.954 17.3-160.9-122.7 111.9 -3.2 -43.1 -13.2 79 82 A K E -O 64 0C 151 -2,-0.5 2,-0.5 -15,-0.2 -15,-0.2 -0.819 20.3-169.2 -91.7 105.3 -5.9 -42.3 -10.7 80 83 A L E -O 63 0C 12 -17,-3.8 -17,-3.1 -2,-0.9 2,-0.1 -0.838 14.8-134.4-103.9 131.0 -5.8 -45.2 -8.3 81 84 A K E -O 62 0C 152 -2,-0.5 25,-2.6 -19,-0.2 2,-0.6 -0.465 20.2-123.2 -78.7 152.1 -8.4 -45.8 -5.6 82 85 A I E -P 105 0C 6 -21,-0.8 23,-0.3 -23,-0.5 3,-0.1 -0.869 21.5-174.0-100.3 122.3 -7.3 -46.7 -2.1 83 86 A A E - 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