==== 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 09-MAY-04 1T7C . 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) . 24212.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 372 62.6 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 . 172 29.0 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 . 55 9.3 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 . 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 . 9 6 4 6 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 0 102 0, 0.0 117,-0.2 0, 0.0 43,-0.1 0.000 360.0 360.0 360.0 162.6 13.5 -50.5 -7.6 2 2 A G + 0 0 1 115,-2.2 201,-2.4 200,-0.2 116,-0.1 0.499 360.0 104.8 65.7 5.8 15.4 -47.2 -7.2 3 3 A V - 0 0 100 114,-0.3 2,-0.1 199,-0.2 -1,-0.1 -0.879 60.3-150.1-123.5 99.7 16.4 -47.0 -10.9 4 4 A P - 0 0 4 0, 0.0 19,-0.1 0, 0.0 110,-0.1 -0.422 13.1-142.5 -67.6 137.5 14.4 -44.5 -13.0 5 5 A A S S+ 0 0 66 108,-0.5 2,-0.6 107,-0.2 109,-0.1 0.834 100.6 51.1 -66.5 -31.5 13.9 -45.3 -16.7 6 6 A I S S- 0 0 41 107,-0.5 -1,-0.2 16,-0.5 14,-0.1 -0.932 96.1-132.2-109.2 112.3 14.3 -41.5 -17.1 7 7 A Q - 0 0 119 -2,-0.6 16,-0.1 1,-0.1 17,-0.1 -0.411 19.9-126.5 -66.8 132.2 17.5 -40.3 -15.4 8 8 A P - 0 0 19 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.371 12.0-134.0 -75.4 159.1 17.0 -37.2 -13.3 9 9 A V - 0 0 91 -2,-0.1 2,-0.2 2,-0.0 11,-0.1 -0.950 24.4-160.5-117.3 109.3 19.2 -34.1 -13.7 10 10 A L 0 0 59 -2,-0.6 124,-0.0 9,-0.1 9,-0.0 -0.585 360.0 360.0 -92.9 153.5 20.5 -32.7 -10.4 11 11 A S 0 0 134 -2,-0.2 -2,-0.0 6,-0.0 5,-0.0 -0.063 360.0 360.0 72.3 360.0 21.8 -29.2 -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 1 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 123.7 10.1 -27.2 -2.1 14 17 A V B 3 -A 185 0A 16 171,-3.3 171,-1.3 1,-0.2 128,-0.1 -0.745 360.0 -1.0 -91.2 132.4 11.7 -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 0.768 102.2 122.7 62.3 28.8 14.7 -22.8 -3.8 16 19 A G < - 0 0 23 -3,-0.6 2,-0.3 169,-0.1 138,-0.2 -0.091 57.4-112.3 -98.5-157.5 14.7 -26.2 -5.5 17 20 A E E -B 153 0B 57 136,-3.0 136,-2.4 -2,-0.1 2,-0.1 -0.949 28.7 -88.0-140.5 161.4 14.4 -26.8 -9.3 18 21 A E E -B 152 0B 93 -2,-0.3 134,-0.2 134,-0.2 2,-0.2 -0.428 47.5-126.6 -67.3 140.4 12.0 -28.3 -11.8 19 22 A A - 0 0 2 132,-2.5 -1,-0.1 -2,-0.1 132,-0.1 -0.562 23.5-100.2 -89.6 153.9 12.4 -32.0 -12.2 20 23 A V > - 0 0 46 -2,-0.2 3,-2.3 1,-0.1 4,-0.2 -0.575 59.5 -93.1 -67.7 129.8 12.9 -33.8 -15.6 21 24 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.208 105.8 2.1 -50.2 128.4 9.5 -35.2 -16.3 22 25 A G T 3 S+ 0 0 14 45,-0.2 -16,-0.5 2,-0.1 -17,-0.2 0.460 91.7 122.0 74.0 2.6 9.1 -38.7 -15.0 23 26 A S S < S+ 0 0 0 -3,-2.3 -1,-0.1 1,-0.3 3,-0.1 0.529 75.4 47.6 -75.1 -6.7 12.6 -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 -0.585 72.3 172.2-130.6 66.8 11.2 -39.6 -10.0 25 28 A P T 3 S+ 0 0 1 0, 0.0 91,-1.0 0, 0.0 41,-0.3 0.579 71.6 58.8 -53.6 -18.7 8.7 -42.5 -11.0 26 29 A W T 3 S+ 0 0 0 89,-0.2 17,-2.0 91,-0.1 2,-0.3 0.635 79.5 107.0 -88.7 -14.9 7.9 -43.4 -7.4 27 30 A Q E < -K 42 0C 4 -3,-2.0 39,-0.5 15,-0.2 40,-0.3 -0.469 49.3-179.8 -66.8 123.9 6.6 -39.9 -6.6 28 31 A V E -K 41 0C 0 13,-2.2 13,-1.3 -2,-0.3 2,-0.5 -0.854 24.4-131.1-122.7 161.7 2.8 -39.9 -6.3 29 32 A S E -KL 40 64C 0 35,-2.3 35,-2.6 -2,-0.3 2,-0.6 -0.951 14.9-146.5-112.3 129.4 0.3 -37.2 -5.5 30 33 A L E +KL 39 63C 0 9,-3.2 8,-2.5 -2,-0.5 9,-1.2 -0.877 29.1 174.1 -97.5 122.1 -2.3 -37.9 -2.9 31 34 A Q E -KL 37 62C 12 31,-2.4 31,-3.0 -2,-0.6 6,-0.2 -0.882 29.5-120.6-128.9 157.7 -5.6 -36.1 -3.8 32 35 A D > - 0 0 36 4,-1.6 3,-2.2 -2,-0.3 29,-0.1 -0.294 53.5 -80.9 -84.4 179.3 -9.2 -35.9 -2.5 33 36 A K T 3 S+ 0 0 126 1,-0.3 -1,-0.1 2,-0.1 28,-0.1 0.691 130.6 54.8 -55.3 -20.6 -12.1 -36.8 -4.7 34 37 A T T 3 S- 0 0 21 2,-0.1 -1,-0.3 563,-0.0 565,-0.1 0.550 121.9-101.8 -91.6 -7.9 -12.0 -33.4 -6.4 35 38 A G < + 0 0 35 -3,-2.2 2,-0.6 1,-0.3 -2,-0.1 0.560 68.2 153.8 98.6 11.2 -8.4 -33.7 -7.5 36 39 A F - 0 0 16 -4,-0.1 -4,-1.6 1,-0.1 2,-0.4 -0.652 40.7-134.6 -80.6 118.4 -7.0 -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 -0.575 38.2 156.5 -73.4 121.5 -3.4 -32.3 -3.8 38 41 A F E + 0 0 14 -8,-2.5 221,-2.4 -2,-0.4 2,-0.3 0.536 62.3 2.8-121.4 -13.1 -2.8 -32.5 -0.1 39 42 A b E -K 30 0C 0 -9,-1.2 -9,-3.2 219,-0.2 -1,-0.4 -0.986 61.1-123.7-166.0 163.4 0.3 -34.7 0.3 40 43 A G E -K 29 0C 1 151,-3.6 12,-0.4 -2,-0.3 2,-0.3 -0.502 26.7-179.1-105.5 179.2 2.9 -36.6 -1.6 41 44 A G E -K 28 0C 0 -13,-1.3 -13,-2.2 -2,-0.2 2,-0.4 -0.967 21.5-120.7-166.8 173.8 3.9 -40.3 -1.4 42 45 A S E -KM 27 50C 1 8,-2.2 8,-2.8 -2,-0.3 2,-0.3 -0.992 18.5-131.7-134.4 128.7 6.2 -43.0 -2.7 43 46 A L E + M 0 49C 0 -17,-2.0 75,-2.4 -2,-0.4 6,-0.2 -0.601 21.1 179.2 -74.2 131.1 5.4 -46.2 -4.4 44 47 A I E S- 0 0 17 4,-2.3 2,-0.3 1,-0.4 -1,-0.2 0.509 72.3 -19.7-107.9 -11.2 7.3 -49.1 -2.9 45 48 A N E > S- M 0 48C 37 3,-1.0 3,-0.5 71,-0.1 -1,-0.4 -0.920 89.2 -71.8-174.2-178.3 5.8 -51.7 -5.2 46 49 A E T 3 S+ 0 0 85 -2,-0.3 63,-3.0 1,-0.2 3,-0.1 0.625 127.7 34.0 -68.4 -12.4 2.7 -52.0 -7.5 47 50 A N T 3 S+ 0 0 63 61,-0.2 58,-2.5 1,-0.1 2,-0.4 0.460 109.5 63.6-121.3 -2.7 0.2 -52.3 -4.7 48 51 A W E < -MN 45 104C 14 -3,-0.5 -4,-2.3 56,-0.2 -3,-1.0 -0.974 49.2-169.9-133.3 142.5 1.6 -50.1 -1.9 49 52 A V E -MN 43 103C 0 54,-2.3 54,-3.0 -2,-0.4 2,-0.5 -0.972 13.2-149.2-125.0 137.0 2.3 -46.5 -1.2 50 53 A V E +MN 42 102C 1 -8,-2.8 -8,-2.2 -2,-0.4 2,-0.2 -0.909 32.1 146.3-107.4 133.5 4.3 -45.1 1.8 51 54 A T E - N 0 101C 0 50,-2.7 50,-2.3 -2,-0.5 2,-0.3 -0.763 48.9 -65.0-146.4-169.3 3.4 -41.6 3.1 52 55 A A > - 0 0 1 -12,-0.4 3,-0.8 48,-0.3 5,-0.4 -0.640 30.2-136.7 -90.6 148.3 3.2 -39.6 6.3 53 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.7 1,-0.2 -1,-0.1 0.858 102.4 62.0 -68.9 -35.3 0.8 -40.4 9.1 54 57 A H G 3 S+ 0 0 8 1,-0.3 -1,-0.2 42,-0.1 204,-0.1 0.646 84.3 78.0 -68.3 -11.8 -0.1 -36.7 9.6 55 58 A b G < S- 0 0 3 -3,-0.8 -1,-0.3 1,-0.1 -2,-0.2 0.729 90.1-147.0 -67.8 -19.9 -1.5 -36.5 6.0 56 59 A G < - 0 0 49 -3,-1.7 -2,-0.1 -4,-0.2 -3,-0.1 0.828 22.0-171.7 57.2 37.9 -4.6 -38.3 7.4 57 60 A V - 0 0 13 -5,-0.4 2,-0.3 -4,-0.1 -1,-0.1 -0.279 3.0-172.6 -61.1 143.5 -5.3 -40.2 4.1 58 61 A T > - 0 0 65 26,-0.0 3,-1.6 4,-0.0 24,-0.1 -0.798 42.1 -96.2-129.8 173.2 -8.6 -42.1 4.0 59 62 A T T 3 S+ 0 0 85 1,-0.3 23,-0.4 -2,-0.3 -2,-0.1 0.547 119.5 66.5 -70.0 -5.4 -10.1 -44.6 1.5 60 63 A S T 3 S+ 0 0 82 21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.624 89.2 81.5 -88.0 -15.7 -12.0 -41.7 -0.1 61 64 A D S < S- 0 0 21 -3,-1.6 21,-0.7 -29,-0.1 2,-0.3 -0.393 73.2-136.3 -85.0 167.1 -8.7 -40.1 -1.3 62 65 A V E -LO 31 81C 30 -31,-3.0 -31,-2.4 19,-0.1 2,-0.5 -0.926 5.5-131.0-129.2 152.3 -6.8 -41.3 -4.4 63 66 A V E -LO 30 80C 0 17,-3.2 17,-3.9 -2,-0.3 2,-0.6 -0.877 20.2-159.6-100.0 126.4 -3.2 -42.0 -5.4 64 67 A V E -LO 29 79C 0 -35,-2.6 -35,-2.3 -2,-0.5 3,-0.3 -0.925 14.0-176.9-112.6 111.8 -2.1 -40.3 -8.6 65 68 A A E + O 0 78C 0 13,-2.5 13,-2.5 -2,-0.6 -37,-0.1 -0.724 58.1 30.2-107.1 156.2 0.9 -41.9 -10.2 66 69 A G S S+ 0 0 13 -39,-0.5 2,-0.2 48,-0.4 -1,-0.2 0.612 83.2 144.3 76.3 14.8 2.9 -40.9 -13.3 67 70 A E + 0 0 21 -40,-0.3 -1,-0.2 -3,-0.3 -45,-0.2 -0.565 18.5 152.7 -91.5 149.3 2.2 -37.2 -12.9 68 71 A F S S+ 0 0 17 -2,-0.2 83,-2.0 1,-0.2 2,-0.7 0.507 72.6 38.8-131.4 -57.0 4.5 -34.3 -13.6 69 72 A D B > -Q 150 0D 27 81,-0.2 3,-1.9 1,-0.1 81,-0.3 -0.876 57.5-172.3-107.2 102.0 2.4 -31.2 -14.4 70 73 A Q T 3 S+ 0 0 41 79,-3.1 -1,-0.1 -2,-0.7 80,-0.1 0.611 86.3 62.5 -69.1 -9.9 -0.7 -31.0 -12.3 71 74 A G T 3 S+ 0 0 44 78,-0.1 2,-0.7 -3,-0.0 -1,-0.3 0.405 84.1 93.0 -93.7 2.1 -1.9 -28.1 -14.4 72 75 A S < - 0 0 39 -3,-1.9 -4,-0.1 77,-0.2 -3,-0.1 -0.863 50.0-175.6-101.4 112.2 -2.1 -30.3 -17.5 73 76 A S S S+ 0 0 133 -2,-0.7 -1,-0.1 1,-0.2 -3,-0.0 0.665 86.4 51.4 -77.9 -16.3 -5.5 -31.9 -18.1 74 77 A S S S+ 0 0 101 2,-0.1 -1,-0.2 0, 0.0 3,-0.1 0.725 79.3 114.2 -91.9 -25.0 -4.1 -33.9 -21.0 75 78 A E S S- 0 0 48 -6,-0.2 2,-0.5 1,-0.1 -8,-0.0 -0.189 73.2-117.2 -49.8 131.7 -1.1 -35.5 -19.3 76 79 A K + 0 0 197 -10,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.627 49.6 155.0 -78.3 123.2 -1.5 -39.2 -19.0 77 80 A I - 0 0 58 -2,-0.5 2,-0.5 -3,-0.1 -11,-0.2 -0.840 42.3-115.4-139.2 174.8 -1.7 -40.4 -15.4 78 81 A Q E -O 65 0C 44 -13,-2.5 -13,-2.5 -2,-0.3 2,-0.9 -0.955 17.7-160.5-121.0 112.0 -3.0 -43.2 -13.2 79 82 A K E -O 64 0C 150 -2,-0.5 2,-0.5 -15,-0.2 -15,-0.2 -0.828 19.5-167.6 -91.6 107.5 -5.7 -42.4 -10.7 80 83 A L E -O 63 0C 12 -17,-3.9 -17,-3.2 -2,-0.9 2,-0.1 -0.844 13.7-134.8-104.6 130.3 -5.5 -45.3 -8.2 81 84 A K E -O 62 0C 154 -2,-0.5 25,-2.3 -19,-0.2 2,-0.6 -0.453 20.0-123.8 -78.0 152.9 -8.2 -46.0 -5.6 82 85 A I E -P 105 0C 6 -21,-0.7 23,-0.3 -23,-0.4 3,-0.1 -0.878 21.6-174.7-101.9 122.7 -7.1 -46.8 -2.0 83 86 A A E S- 0 0 51 21,-2.4 2,-0.3 -2,-0.6 22,-0.2 0.896 70.3 -2.2 -81.6 -43.7 -8.4 -50.1 -0.6 84 87 A K E -P 104 0C 111 20,-1.7 20,-2.9 -26,-0.1 2,-0.5 -0.997 59.4-139.8-152.8 146.5 -7.1 -49.7 2.9 85 88 A V E -P 103 0C 40 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.921 10.2-163.8-110.4 127.6 -5.1 -47.3 5.0 86 89 A F E -P 102 0C 27 16,-3.6 16,-2.9 -2,-0.5 2,-0.4 -0.823 8.1-172.9-114.1 93.3 -2.5 -48.5 7.5 87 90 A K E -P 101 0C 121 -2,-0.7 2,-0.3 14,-0.3 14,-0.2 -0.686 37.0-107.6 -83.7 132.1 -1.5 -45.8 9.9 88 91 A N > - 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