==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE PROTEINASE) 01-JAN-75 2CHA . COMPND 2 MOLECULE: ALPHA-CHYMOTRYPSIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.J.BIRKTOFT,D.M.BLOW . 472 6 10 6 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19424.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 28.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 . 2 0.4 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 . 34 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 5.5 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 4 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 . 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 . 4 4 4 8 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 2 0 2 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 a 0 0 106 0, 0.0 114,-0.1 0, 0.0 115,-0.1 0.000 360.0 360.0 360.0 110.5 8.1 -5.8 30.4 2 2 A G + 0 0 4 112,-1.0 198,-1.2 1,-0.3 113,-0.1 0.978 360.0 122.7 86.8 46.5 9.3 -7.9 27.5 3 3 A V - 0 0 114 196,-0.2 -1,-0.3 111,-0.2 2,-0.2 -0.832 51.4-150.7-129.2 89.9 7.3 -11.1 28.4 4 4 A P - 0 0 14 0, 0.0 107,-0.1 0, 0.0 3,-0.1 -0.651 11.5-144.7 -60.5 137.2 5.0 -12.1 25.3 5 5 A A S S+ 0 0 56 105,-0.9 2,-1.0 1,-0.3 106,-0.1 0.988 102.9 57.4 -60.7 -50.1 1.9 -13.9 26.4 6 6 A I S S- 0 0 58 104,-0.4 -1,-0.3 13,-0.2 11,-0.0 -0.531 97.8-141.6 -77.4 113.0 2.5 -15.7 23.1 7 7 A Q 0 0 165 -2,-1.0 13,-0.1 1,-0.1 14,-0.1 -0.430 360.0 360.0 -72.8 131.0 5.9 -17.0 23.7 8 8 A P 0 0 67 0, 0.0 -1,-0.1 0, 0.0 11,-0.0 -0.534 360.0 360.0 -64.6 360.0 8.0 -16.7 20.4 9 !* 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 10 16 B I > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 150.0 14.2 -9.7 6.2 11 17 B V B 3 +A 182 0A 20 171,-2.5 171,-1.1 1,-0.2 127,-0.1 -0.776 360.0 10.0-103.8 138.3 16.1 -12.0 3.9 12 18 B N T 3 S+ 0 0 113 -2,-0.5 -1,-0.2 126,-0.4 126,-0.1 0.707 96.1 127.3 65.0 30.7 16.4 -15.6 5.2 13 19 B G < - 0 0 21 -3,-0.6 2,-0.3 138,-0.1 138,-0.2 0.243 48.9-128.9 -93.3-162.4 13.9 -15.3 8.1 14 20 B E E -B 150 0B 126 136,-1.7 136,-2.8 134,-0.0 0, 0.0 -0.926 35.9 -81.3-144.2 156.9 10.9 -17.4 9.0 15 21 B E E -B 149 0B 87 -2,-0.3 2,-0.3 134,-0.2 134,-0.2 -0.308 51.4-139.4 -59.6 113.6 7.2 -16.7 9.9 16 22 B A - 0 0 3 132,-1.8 5,-0.1 1,-0.1 -1,-0.1 -0.628 34.1 -83.6 -62.0 171.6 7.4 -15.7 13.5 17 23 B V > - 0 0 69 -2,-0.3 3,-2.3 3,-0.1 4,-0.2 -0.485 61.2 -98.4 -68.6 130.0 4.7 -17.0 15.8 18 24 B P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.379 110.6 6.4 -60.1 133.5 1.7 -14.5 15.3 19 25 B G T 3 S+ 0 0 14 1,-0.2 -13,-0.2 2,-0.2 -14,-0.2 0.393 95.0 129.4 71.5 8.7 1.7 -11.9 18.1 20 26 B S S < S+ 0 0 0 -3,-2.3 -1,-0.2 1,-0.3 -3,-0.1 0.495 71.1 50.1 -61.3 -27.8 4.9 -13.7 19.0 21 27 B W S > S- 0 0 13 90,-0.2 3,-2.6 -4,-0.2 -1,-0.3 -0.496 73.2-175.0-108.9 84.0 6.4 -10.2 19.1 22 28 B P T 3 S+ 0 0 1 0, 0.0 91,-0.8 0, 0.0 41,-0.4 0.597 81.3 51.5 -55.8 -33.8 3.9 -8.1 21.4 23 29 B W T 3 S+ 0 0 0 89,-0.2 17,-2.3 17,-0.1 2,-0.7 0.399 78.9 116.4 -75.1 -22.1 5.8 -4.8 20.7 24 30 B Q E < -J 39 0C 8 -3,-2.6 40,-0.4 15,-0.2 39,-0.3 -0.611 38.9-177.4 -70.1 128.8 6.0 -4.8 16.8 25 31 B V E -J 38 0C 0 13,-1.9 13,-1.3 -2,-0.7 2,-0.3 -0.735 17.5-142.0-110.8 164.7 4.3 -2.0 15.0 26 32 B S E -JK 37 61C 0 35,-2.2 35,-2.5 -2,-0.3 2,-0.5 -0.742 14.5-139.9-121.4 145.0 3.9 -1.2 11.3 27 33 B L E -JK 36 60C 0 9,-1.8 8,-2.2 -2,-0.3 9,-0.8 -0.960 21.4-178.1-115.9 110.8 4.0 2.3 9.9 28 34 B Q E -JK 34 59C 33 31,-2.5 31,-2.5 -2,-0.5 6,-0.2 -0.824 17.8-148.9 -98.0 149.6 1.6 3.3 7.2 29 35 B D - 0 0 9 4,-1.0 30,-0.1 -2,-0.3 -1,-0.1 0.055 46.6 -90.1 -82.0-141.6 1.3 6.5 5.4 30 36 B K S S+ 0 0 147 2,-0.1 28,-0.1 -2,-0.1 -2,-0.0 0.070 122.6 76.0-120.4 1.8 -2.3 7.4 4.3 31 37 B T S S- 0 0 51 2,-0.1 -1,-0.1 354,-0.0 -3,-0.0 0.540 123.1-112.4 -75.4 2.1 -2.1 5.7 0.9 32 38 B G S S+ 0 0 44 1,-0.2 2,-0.4 27,-0.0 -2,-0.1 0.764 71.6 142.2 68.9 43.8 -2.5 3.1 3.7 33 39 B F - 0 0 41 239,-0.0 -4,-1.0 0, 0.0 2,-0.2 -0.958 55.1-120.7-124.0 136.3 0.9 1.7 3.1 34 40 B H E +J 28 0C 13 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.272 39.3 156.2 -67.2 118.0 3.7 0.3 5.4 35 41 B F E + 0 0 31 -8,-2.2 2,-0.3 1,-0.3 151,-0.3 0.545 59.3 17.5-114.5 -33.3 6.9 2.2 5.0 36 42 B b E -J 27 0C 7 -9,-0.8 -9,-1.8 153,-0.1 -1,-0.3 -0.972 63.6-121.8-146.4 157.2 8.8 1.6 8.3 37 43 B G E +J 26 0C 4 151,-3.1 12,-0.5 -2,-0.3 2,-0.3 -0.705 29.1 174.2 -86.5 166.9 9.1 -0.5 11.5 38 44 B G E -JL 25 48C 0 -13,-1.3 -13,-1.9 -2,-0.3 2,-0.4 -0.956 21.6-127.7-169.6 164.9 8.9 0.6 15.1 39 45 B S E -JL 24 47C 2 8,-2.9 8,-2.7 -2,-0.3 2,-0.3 -0.989 19.7-124.6-131.9 134.9 8.8 -0.8 18.7 40 46 B L E + L 0 46C 0 -17,-2.3 75,-2.6 -2,-0.4 6,-0.2 -0.551 31.2 165.2 -81.4 121.4 6.3 -0.2 21.6 41 47 B I + 0 0 13 4,-0.8 2,-0.3 -2,-0.3 5,-0.2 0.423 68.4 10.6 -98.8 -38.9 7.9 1.1 24.8 42 48 B N S S- 0 0 67 3,-1.2 -1,-0.2 1,-0.1 73,-0.1 -0.899 74.2-107.4-131.4 174.3 4.7 2.2 26.5 43 49 B E S S+ 0 0 90 -2,-0.3 63,-1.9 1,-0.1 -1,-0.1 0.922 129.0 30.8 -68.9 -36.7 0.9 2.1 26.3 44 50 B N S S+ 0 0 77 61,-0.2 58,-1.3 -3,-0.1 2,-0.1 0.789 118.5 59.3 -84.1 -45.4 1.3 5.8 25.3 45 51 B W E - M 0 101C 12 56,-0.2 -3,-1.2 61,-0.1 -4,-0.8 -0.440 50.9-171.9-104.3 165.1 4.7 5.8 23.5 46 52 B V E -LM 40 100C 0 54,-1.6 54,-1.8 -6,-0.2 2,-0.4 -0.955 11.6-145.4-145.4 163.4 6.8 4.3 20.6 47 53 B V E +LM 39 99C 5 -8,-2.7 -8,-2.9 -2,-0.3 52,-0.2 -0.969 28.3 145.0-136.4 139.5 10.3 4.2 19.1 48 54 B T E -LM 38 98C 0 50,-2.9 50,-2.4 -2,-0.4 2,-0.4 -0.458 49.5 -70.8-148.0-169.6 11.4 4.1 15.4 49 55 B A > - 0 0 1 -12,-0.5 3,-1.0 48,-0.3 5,-0.3 -0.871 28.2-139.6 -98.9 148.6 14.2 5.3 13.1 50 56 B A G > S+ 0 0 18 -2,-0.4 3,-1.8 1,-0.3 4,-0.2 0.819 98.3 65.9 -77.3 -36.1 14.6 9.0 12.2 51 57 B H G 3 S+ 0 0 8 1,-0.3 -1,-0.3 42,-0.1 327,-0.0 0.742 84.3 83.1 -65.3 -6.2 15.6 8.4 8.5 52 58 B b G < S- 0 0 4 -3,-1.0 330,-0.5 1,-0.1 -1,-0.3 0.348 92.9-137.9 -71.6 -17.2 12.0 7.1 8.2 53 59 B G < - 0 0 16 -3,-1.8 2,-0.3 1,-0.2 330,-0.1 0.728 30.7-174.3 54.2 46.8 10.6 10.7 7.8 54 60 B V - 0 0 13 -5,-0.3 2,-0.2 -4,-0.2 -1,-0.2 -0.481 3.5-177.5 -72.8 138.5 7.6 10.0 10.1 55 61 B T > - 0 0 59 -2,-0.3 3,-2.2 27,-0.0 24,-0.1 -0.767 46.0 -96.4-126.0 171.7 5.0 12.8 10.4 56 62 B T T 3 S+ 0 0 88 1,-0.3 23,-0.3 -2,-0.2 -2,-0.1 0.509 120.2 66.1 -59.9 -17.1 1.8 13.4 12.4 57 63 B S T 3 S+ 0 0 80 21,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.339 84.6 84.5 -86.8 -17.9 0.0 12.1 9.2 58 64 B D S < S- 0 0 9 -3,-2.2 21,-0.8 -28,-0.1 2,-0.4 -0.440 71.8-127.4 -81.8 165.0 1.3 8.5 9.3 59 65 B V E -KN 28 78C 11 -31,-2.5 -31,-2.5 -2,-0.2 2,-0.4 -0.981 2.4-142.7-117.7 153.1 -0.2 5.6 11.3 60 66 B V E -KN 27 77C 0 17,-1.9 17,-3.3 -2,-0.4 2,-0.4 -0.652 18.3-164.5-108.4 132.1 1.0 3.1 13.8 61 67 B V E -KN 26 76C 1 -35,-2.5 -35,-2.2 -2,-0.4 2,-0.3 -0.968 10.6-176.4-119.2 138.7 -0.5 -0.4 13.5 62 68 B A E + N 0 75C 0 13,-2.0 13,-1.7 -2,-0.4 50,-0.1 -0.839 55.8 22.9-138.4 155.6 -0.2 -2.9 16.3 63 69 B G S S+ 0 0 12 -41,-0.4 2,-0.4 -39,-0.3 10,-0.2 0.692 88.9 137.6 61.5 22.1 -1.1 -6.6 17.1 64 70 B E + 0 0 21 -40,-0.4 -1,-0.2 1,-0.1 -45,-0.1 -0.869 33.8 177.4 -86.8 162.7 -1.2 -7.2 13.4 65 71 B F + 0 0 20 -2,-0.4 83,-1.6 1,-0.3 2,-0.3 0.862 62.0 27.9-122.3 -72.7 0.1 -10.1 11.5 66 72 B D - 0 0 31 81,-0.2 -1,-0.3 82,-0.0 3,-0.3 -0.886 51.4-150.3-103.8 154.7 -0.6 -10.0 7.8 67 73 B Q S S+ 0 0 47 -2,-0.3 80,-0.1 1,-0.2 -33,-0.1 0.207 95.0 68.5 -97.6 -8.3 -1.1 -7.1 5.4 68 74 B G S S+ 0 0 38 3,-0.0 -1,-0.2 0, 0.0 79,-0.0 0.470 71.5 135.3 -80.5 -27.0 -3.4 -9.1 3.1 69 75 B S - 0 0 44 -3,-0.3 3,-0.2 1,-0.2 0, 0.0 0.007 53.2-155.1 -27.5 132.1 -6.0 -9.1 5.9 70 76 B S S S- 0 0 133 1,-0.7 2,-0.2 0, 0.0 -1,-0.2 0.662 92.9 -29.5 -78.3 -24.6 -9.5 -8.3 4.6 71 77 B S S S- 0 0 110 2,-0.0 -1,-0.7 0, 0.0 2,-0.3 -0.696 70.7-172.1 172.1 127.1 -9.4 -7.4 8.3 72 78 B E - 0 0 73 -3,-0.2 2,-1.4 -2,-0.2 -8,-0.1 -0.710 49.6 -86.4-110.8 176.6 -7.5 -8.7 11.2 73 79 B K S S+ 0 0 199 -2,-0.3 2,-0.3 -10,-0.2 -2,-0.0 -0.861 78.1 152.5 -85.8 78.8 -8.0 -7.8 14.9 74 80 B I - 0 0 57 -2,-1.4 2,-0.5 -10,-0.1 -11,-0.2 -0.825 49.4-127.1 -98.0-172.3 -5.7 -4.8 14.7 75 81 B Q E -N 62 0C 36 -13,-1.7 -13,-2.0 -2,-0.3 2,-0.7 -0.995 15.2-166.7-142.1 98.4 -5.1 -1.4 16.2 76 82 B K E -N 61 0C 152 -2,-0.5 2,-0.5 -15,-0.2 -15,-0.2 -0.959 21.7-167.7 -85.9 102.3 -4.9 1.5 13.8 77 83 B L E -N 60 0C 15 -17,-3.3 -17,-1.9 -2,-0.7 2,-0.2 -0.979 14.2-135.0-107.5 126.8 -3.4 4.1 16.0 78 84 B K E -N 59 0C 138 -2,-0.5 25,-1.1 -19,-0.2 26,-0.5 -0.513 21.9-122.7 -79.0 136.0 -3.2 7.9 15.2 79 85 B I E -O 102 0C 10 -21,-0.8 23,-0.2 -23,-0.3 3,-0.1 -0.772 23.8-178.6 -80.7 146.3 -0.0 9.9 15.9 80 86 B A E + 0 0 45 21,-1.5 2,-0.4 -2,-0.5 22,-0.2 0.987 65.9 2.5-100.4 -78.0 0.1 12.9 18.1 81 87 B K E -O 101 0C 115 20,-0.8 20,-0.7 -26,-0.1 -1,-0.2 -0.893 59.0-139.0-131.2 128.4 3.6 14.4 18.1 82 88 B V E -O 100 0C 26 -2,-0.4 2,-0.5 18,-0.1 18,-0.2 -0.249 13.1-161.9 -76.1 126.2 6.8 13.3 16.3 83 89 B F E -O 99 0C 36 16,-2.7 16,-3.2 2,-0.0 -1,-0.1 -0.909 17.6-173.2-113.6 79.2 9.7 13.5 18.7 84 90 B K - 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