==== 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 1T8O . 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) . 24135.0 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 . 175 29.5 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 . 50 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 10.1 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 . 1 0.2 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 3 7 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 43,-0.1 0.000 360.0 360.0 360.0 161.8 13.2 -50.9 -7.4 2 2 A G + 0 0 1 115,-2.2 201,-2.4 200,-0.2 116,-0.1 0.517 360.0 104.9 65.6 8.8 15.1 -47.6 -7.2 3 3 A V - 0 0 101 114,-0.3 -1,-0.1 199,-0.2 2,-0.1 -0.877 60.7-148.9-125.7 98.3 16.1 -47.5 -10.8 4 4 A P - 0 0 5 0, 0.0 19,-0.1 0, 0.0 110,-0.1 -0.386 12.5-142.3 -65.5 137.8 14.1 -44.9 -12.9 5 5 A A S S+ 0 0 69 108,-0.4 2,-0.6 107,-0.2 109,-0.1 0.832 100.9 49.6 -66.8 -30.7 13.6 -45.8 -16.6 6 6 A I S S- 0 0 39 16,-0.5 -1,-0.2 107,-0.4 14,-0.1 -0.940 96.3-132.0-111.6 111.2 14.1 -42.0 -17.1 7 7 A Q - 0 0 122 -2,-0.6 16,-0.1 -3,-0.1 2,-0.1 -0.363 19.5-125.3 -66.0 136.4 17.2 -40.8 -15.4 8 8 A P - 0 0 19 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.410 12.2-133.2 -78.9 158.4 16.9 -37.6 -13.3 9 9 A V - 0 0 94 -2,-0.1 2,-0.2 2,-0.0 11,-0.1 -0.957 26.3-161.3-115.2 112.3 19.1 -34.6 -13.8 10 10 A L 0 0 60 -2,-0.6 124,-0.0 9,-0.1 9,-0.0 -0.578 360.0 360.0 -96.4 157.8 20.4 -33.2 -10.5 11 11 A S 0 0 134 -2,-0.2 -2,-0.0 6,-0.0 5,-0.0 -0.000 360.0 360.0 68.2 360.0 21.9 -29.8 -9.7 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 0 0, 0.0 3,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 122.3 10.1 -27.5 -2.1 14 17 A V B 3 -A 185 0A 16 171,-3.3 171,-1.3 1,-0.2 128,-0.1 -0.715 360.0 -0.3 -89.3 132.2 11.7 -24.1 -1.7 15 18 A N T 3 S+ 0 0 105 126,-0.7 -1,-0.2 -2,-0.4 2,-0.1 0.770 101.8 122.5 63.6 29.0 14.8 -23.2 -3.9 16 19 A G < - 0 0 23 -3,-0.7 2,-0.3 169,-0.1 138,-0.2 -0.077 57.7-111.4 -98.5-156.7 14.7 -26.6 -5.6 17 20 A E E -B 153 0B 56 136,-3.0 136,-2.3 -2,-0.1 2,-0.1 -0.970 28.5 -89.5-141.8 157.7 14.4 -27.3 -9.3 18 21 A E E -B 152 0B 93 -2,-0.3 134,-0.2 134,-0.2 2,-0.1 -0.421 47.5-128.0 -65.0 136.5 11.9 -28.7 -11.8 19 22 A A - 0 0 3 132,-2.6 -1,-0.1 -2,-0.1 132,-0.1 -0.460 23.9 -98.2 -85.7 158.2 12.4 -32.5 -12.2 20 23 A V > - 0 0 43 -2,-0.1 3,-2.5 1,-0.1 4,-0.2 -0.622 59.3 -91.9 -72.0 129.8 12.8 -34.3 -15.5 21 24 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.183 106.9 0.8 -48.1 123.4 9.3 -35.6 -16.3 22 25 A G T 3 S+ 0 0 14 45,-0.2 -16,-0.5 2,-0.1 -17,-0.2 0.508 91.4 123.2 75.9 6.2 8.9 -39.1 -14.9 23 26 A S S < S+ 0 0 0 -3,-2.5 -1,-0.1 1,-0.3 3,-0.1 0.507 75.3 47.9 -78.2 -4.0 12.4 -39.3 -13.4 24 27 A W S > S+ 0 0 7 -4,-0.2 3,-2.0 90,-0.1 -1,-0.3 -0.578 72.6 172.4-132.2 66.7 11.0 -40.0 -9.9 25 28 A P T 3 S+ 0 0 2 0, 0.0 91,-1.2 0, 0.0 41,-0.3 0.559 71.6 57.5 -53.7 -17.8 8.5 -42.8 -10.9 26 29 A W T 3 S+ 0 0 0 89,-0.2 17,-2.0 91,-0.1 2,-0.3 0.630 79.9 107.4 -91.1 -15.2 7.6 -43.8 -7.3 27 30 A Q E < -K 42 0C 4 -3,-2.0 39,-0.5 15,-0.2 40,-0.4 -0.466 49.2-179.5 -66.2 124.2 6.5 -40.3 -6.4 28 31 A V E -KL 41 65C 0 13,-2.3 13,-1.3 -2,-0.3 2,-0.5 -0.837 24.5-130.3-122.0 162.3 2.7 -40.2 -6.2 29 32 A S E -KL 40 64C 0 35,-2.2 35,-2.6 -2,-0.3 2,-0.6 -0.956 15.0-146.4-113.0 128.0 0.2 -37.4 -5.4 30 33 A L E +KL 39 63C 1 9,-3.3 8,-2.5 -2,-0.5 9,-1.4 -0.868 29.8 173.1 -96.3 121.9 -2.4 -38.0 -2.7 31 34 A Q E -KL 37 62C 16 31,-2.3 31,-2.8 -2,-0.6 6,-0.2 -0.881 29.8-118.3-129.0 158.3 -5.6 -36.1 -3.6 32 35 A D > - 0 0 35 4,-1.7 3,-2.0 -2,-0.3 29,-0.1 -0.269 52.5 -81.0 -84.3-178.9 -9.1 -35.9 -2.3 33 36 A K T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 28,-0.1 0.676 130.9 53.1 -56.7 -19.3 -12.1 -36.9 -4.4 34 37 A T T 3 S- 0 0 21 2,-0.1 -1,-0.3 563,-0.0 565,-0.1 0.551 122.9-100.3 -94.2 -8.8 -12.1 -33.6 -6.2 35 38 A G < + 0 0 39 -3,-2.0 2,-0.6 1,-0.3 -2,-0.1 0.544 68.7 152.9 101.5 9.8 -8.4 -33.8 -7.3 36 39 A F - 0 0 16 1,-0.1 -4,-1.7 2,-0.0 2,-0.5 -0.647 41.3-134.6 -80.1 119.0 -7.0 -31.6 -4.6 37 40 A H E +K 31 0C 3 -2,-0.6 -6,-0.2 -6,-0.2 3,-0.1 -0.593 38.1 157.1 -74.1 120.0 -3.4 -32.5 -3.7 38 41 A F E + 0 0 14 -8,-2.5 221,-2.3 -2,-0.5 2,-0.3 0.560 62.2 2.0-118.8 -15.1 -2.8 -32.6 0.0 39 42 A b E -K 30 0C 0 -9,-1.4 -9,-3.3 219,-0.2 -1,-0.3 -0.987 61.2-122.1-164.3 165.0 0.3 -34.8 0.3 40 43 A G E -K 29 0C 1 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.525 26.7-178.4-105.5 177.2 2.9 -36.8 -1.5 41 44 A G E -K 28 0C 0 -13,-1.3 -13,-2.3 -2,-0.2 2,-0.4 -0.958 20.9-122.2-164.2 173.4 3.7 -40.5 -1.2 42 45 A S E -KM 27 50C 1 8,-2.2 8,-2.8 -2,-0.3 2,-0.3 -0.994 18.3-131.0-134.4 129.3 6.0 -43.2 -2.6 43 46 A L E + M 0 49C 0 -17,-2.0 75,-2.5 -2,-0.4 6,-0.2 -0.611 21.5 179.1 -74.9 131.3 5.2 -46.5 -4.3 44 47 A I E S- 0 0 17 4,-2.3 2,-0.3 1,-0.4 -1,-0.1 0.464 72.3 -20.4-109.2 -8.0 7.0 -49.4 -2.7 45 48 A N E > S- M 0 48C 37 3,-1.0 3,-0.5 71,-0.1 -1,-0.4 -0.924 88.9 -71.3-177.8-179.2 5.5 -52.0 -5.1 46 49 A E T 3 S+ 0 0 87 -2,-0.3 63,-3.3 1,-0.2 3,-0.1 0.658 128.0 34.0 -66.6 -15.7 2.4 -52.2 -7.3 47 50 A N T 3 S+ 0 0 66 61,-0.2 58,-2.7 1,-0.1 2,-0.4 0.468 109.9 63.5-118.7 -3.2 -0.1 -52.5 -4.4 48 51 A W E < -MN 45 104C 14 -3,-0.5 -4,-2.3 56,-0.2 -3,-1.0 -0.973 48.2-172.1-133.5 142.7 1.4 -50.3 -1.7 49 52 A V E -MN 43 103C 0 54,-2.2 54,-3.0 -2,-0.4 2,-0.4 -0.973 14.3-149.2-125.8 138.0 2.2 -46.7 -1.1 50 53 A V E +MN 42 102C 4 -8,-2.8 -8,-2.2 -2,-0.4 2,-0.2 -0.915 31.1 147.5-109.3 135.8 4.1 -45.3 1.9 51 54 A T E - N 0 101C 0 50,-2.8 50,-2.4 -2,-0.4 2,-0.3 -0.755 48.3 -64.8-146.7-168.0 3.3 -41.8 3.2 52 55 A A > - 0 0 1 -12,-0.4 3,-0.8 48,-0.3 5,-0.4 -0.655 30.3-136.3 -92.4 148.1 3.2 -39.8 6.4 53 56 A A G > S+ 0 0 4 -2,-0.3 3,-1.8 1,-0.2 -1,-0.1 0.863 102.8 61.8 -68.4 -35.5 0.7 -40.5 9.2 54 57 A H G 3 S+ 0 0 9 1,-0.3 -1,-0.2 42,-0.1 204,-0.1 0.631 84.6 77.6 -68.2 -11.0 -0.1 -36.8 9.7 55 58 A b G < S- 0 0 4 -3,-0.8 -1,-0.3 1,-0.1 -2,-0.2 0.718 90.5-147.3 -69.2 -18.6 -1.4 -36.6 6.1 56 59 A G < - 0 0 49 -3,-1.8 -2,-0.1 -4,-0.2 -3,-0.1 0.826 21.3-170.5 56.2 38.7 -4.5 -38.3 7.5 57 60 A V - 0 0 13 -5,-0.4 2,-0.3 -4,-0.1 -1,-0.1 -0.252 3.5-171.4 -60.5 144.5 -5.3 -40.3 4.3 58 61 A T > - 0 0 69 26,-0.0 3,-1.6 4,-0.0 24,-0.1 -0.823 41.4 -99.0-130.0 171.0 -8.7 -42.1 4.1 59 62 A T T 3 S+ 0 0 85 -2,-0.3 23,-0.4 1,-0.3 -2,-0.1 0.503 119.1 67.2 -70.9 -2.1 -10.2 -44.6 1.7 60 63 A S T 3 S+ 0 0 67 21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.644 89.8 80.4 -88.9 -17.4 -12.0 -41.6 0.1 61 64 A D S < S- 0 0 20 -3,-1.6 21,-0.7 -29,-0.1 2,-0.3 -0.339 73.3-137.1 -83.7 169.0 -8.8 -40.2 -1.1 62 65 A V E -LO 31 81C 31 -31,-2.8 -31,-2.3 19,-0.1 2,-0.5 -0.933 6.4-130.0-131.6 154.2 -6.9 -41.4 -4.2 63 66 A V E -LO 30 80C 0 17,-3.1 17,-3.7 -2,-0.3 2,-0.7 -0.893 19.9-160.0-102.0 124.4 -3.4 -42.1 -5.3 64 67 A V E -LO 29 79C 0 -35,-2.6 -35,-2.2 -2,-0.5 3,-0.3 -0.917 14.8-175.7-109.4 111.5 -2.3 -40.4 -8.5 65 68 A A E +LO 28 78C 0 13,-2.5 13,-2.4 -2,-0.7 -37,-0.1 -0.712 57.9 27.9-106.3 156.9 0.7 -42.1 -10.1 66 69 A G S S+ 0 0 15 -39,-0.5 2,-0.2 48,-0.3 -1,-0.2 0.693 84.1 145.0 71.5 21.2 2.8 -41.2 -13.1 67 70 A E + 0 0 22 -40,-0.4 -1,-0.2 -3,-0.3 -45,-0.2 -0.623 18.8 153.5 -95.0 150.4 2.1 -37.5 -12.8 68 71 A F S S+ 0 0 17 -2,-0.2 83,-1.7 1,-0.2 2,-0.7 0.504 72.0 38.8-132.7 -58.1 4.4 -34.6 -13.6 69 72 A D B > -Q 150 0D 26 81,-0.2 3,-1.7 1,-0.1 81,-0.2 -0.881 57.4-172.7-106.0 103.4 2.3 -31.5 -14.4 70 73 A Q T 3 S+ 0 0 41 79,-2.9 -1,-0.1 -2,-0.7 80,-0.1 0.621 86.4 61.9 -70.4 -10.4 -0.8 -31.3 -12.2 71 74 A G T 3 S+ 0 0 45 78,-0.1 2,-0.6 -3,-0.0 -1,-0.3 0.396 84.4 92.7 -94.1 2.0 -1.9 -28.4 -14.4 72 75 A S < - 0 0 38 -3,-1.7 -4,-0.1 77,-0.2 -3,-0.1 -0.871 50.7-174.1-102.0 115.7 -2.1 -30.6 -17.5 73 76 A S S S+ 0 0 131 -2,-0.6 -1,-0.1 1,-0.2 -3,-0.0 0.719 86.4 51.3 -78.0 -21.7 -5.5 -32.1 -18.1 74 77 A S S S+ 0 0 102 2,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.770 79.6 113.3 -86.1 -28.8 -4.2 -34.2 -21.0 75 78 A E S S- 0 0 48 -6,-0.2 2,-0.4 1,-0.1 -8,-0.0 -0.154 72.7-118.9 -47.8 131.2 -1.2 -35.8 -19.2 76 79 A K + 0 0 194 -10,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.637 48.4 153.6 -79.7 125.7 -1.7 -39.5 -18.8 77 80 A I - 0 0 56 -2,-0.4 2,-0.5 -10,-0.1 -11,-0.2 -0.829 42.9-112.3-140.8 177.5 -1.8 -40.7 -15.2 78 81 A Q E -O 65 0C 43 -13,-2.4 -13,-2.5 -2,-0.3 2,-0.9 -0.951 18.2-161.4-122.6 110.9 -3.2 -43.4 -13.0 79 82 A K E -O 64 0C 157 -2,-0.5 2,-0.5 -15,-0.2 -15,-0.2 -0.822 20.5-168.9 -91.4 106.5 -5.9 -42.5 -10.5 80 83 A L E -O 63 0C 13 -17,-3.7 -17,-3.1 -2,-0.9 2,-0.1 -0.852 15.1-133.8-106.0 130.0 -5.8 -45.4 -8.0 81 84 A K E -O 62 0C 156 -2,-0.5 25,-2.3 -19,-0.2 26,-0.6 -0.415 20.7-123.8 -76.0 152.8 -8.4 -46.0 -5.4 82 85 A I E -P 105 0C 6 -21,-0.7 23,-0.3 -23,-0.4 3,-0.1 -0.881 20.4-172.9-102.0 123.0 -7.3 -46.9 -1.8 83 86 A A E - 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