==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE PROTEINASE) 22-JAN-85 5CHA . COMPND 2 MOLECULE: ALPHA-CHYMOTRYPSIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.A.BLEVINS,A.TULINSKY . 472 6 10 6 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 62.5 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 . 143 30.3 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 . 6 1.3 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 . 1 0.2 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 . 33 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 7.2 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 2 0 0 0 0 0 2 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 . 6 7 2 6 6 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 0 120 0, 0.0 116,-0.1 0, 0.0 198,-0.1 0.000 360.0 360.0 360.0 11.9 40.3 14.6 2.1 2 2 A G + 0 0 2 113,-0.2 198,-2.3 196,-0.1 113,-0.1 -0.330 360.0 116.8 162.2 30.2 38.3 12.5 4.9 3 3 A V - 0 0 98 111,-0.3 196,-0.1 196,-0.2 4,-0.1 -0.824 57.1-143.3-123.2 93.6 40.1 9.0 4.6 4 4 A P - 0 0 11 0, 0.0 107,-0.1 0, 0.0 16,-0.1 -0.384 6.9-144.9 -60.7 140.0 41.8 8.0 7.9 5 5 A A S S+ 0 0 68 105,-0.6 2,-0.7 1,-0.2 106,-0.1 0.711 101.8 54.2 -66.9 -36.2 45.1 6.2 7.3 6 6 A I S S- 0 0 56 104,-0.5 -1,-0.2 13,-0.5 11,-0.1 -0.937 101.1-133.6-101.8 103.4 44.0 4.2 10.5 7 7 A Q 0 0 162 -2,-0.7 13,-0.1 1,-0.1 14,-0.1 -0.338 360.0 360.0 -67.9 127.9 40.5 2.9 9.5 8 8 A P 0 0 62 0, 0.0 -1,-0.1 0, 0.0 8,-0.0 -0.177 360.0 360.0 -56.9 360.0 37.8 3.4 12.2 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,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 133.3 28.9 10.2 24.8 11 17 B V B +A 182 0A 19 171,-2.7 171,-1.3 1,-0.2 128,-0.2 -0.769 360.0 7.4 -91.2 129.8 26.7 7.9 26.9 12 18 B N S S+ 0 0 113 126,-0.7 -1,-0.2 -2,-0.4 2,-0.1 0.680 98.7 118.6 73.1 23.8 26.6 4.2 25.6 13 19 B G - 0 0 24 -3,-0.5 2,-0.3 169,-0.1 138,-0.2 -0.041 55.2-123.1 -97.3-164.6 29.4 4.5 23.0 14 20 B E E -B 150 0B 114 136,-2.5 136,-3.7 -2,-0.1 2,-0.2 -0.930 30.5 -80.7-148.3 163.1 32.7 2.7 22.9 15 21 B E E -B 149 0B 90 -2,-0.3 134,-0.3 134,-0.3 2,-0.1 -0.441 45.1-130.9 -65.5 135.6 36.3 3.5 22.8 16 22 B A - 0 0 3 132,-3.4 -1,-0.1 -2,-0.2 132,-0.1 -0.351 25.4-101.5 -81.5 162.3 37.8 4.4 19.4 17 23 B V > - 0 0 74 -2,-0.1 3,-1.7 -11,-0.1 4,-0.2 -0.744 54.8-103.9 -75.5 128.9 41.0 2.9 17.9 18 24 B P T 3 S+ 0 0 60 0, 0.0 47,-0.1 0, 0.0 -1,-0.1 -0.353 105.3 19.2 -60.6 143.2 43.5 5.7 18.5 19 25 B G T 3 S+ 0 0 18 2,-0.2 -13,-0.5 45,-0.2 -14,-0.2 0.200 93.2 107.0 84.6 -14.4 44.2 7.7 15.3 20 26 B S S < S+ 0 0 0 -3,-1.7 3,-0.1 1,-0.2 -1,-0.0 0.552 81.7 42.8 -72.6 -13.1 41.1 6.4 13.6 21 27 B W S > S+ 0 0 15 -4,-0.2 3,-1.4 90,-0.1 -1,-0.2 -0.749 75.8 170.3-132.9 71.7 39.2 9.9 13.9 22 28 B P T 3 + 0 0 5 0, 0.0 91,-1.1 0, 0.0 41,-0.2 0.646 67.2 58.7 -70.1 -11.8 42.2 12.0 12.9 23 29 B W T 3 S+ 0 0 0 89,-0.2 17,-2.0 91,-0.1 2,-0.3 0.567 79.0 111.9 -88.5 -14.6 40.4 15.3 12.5 24 30 B Q E < -J 39 0C 3 -3,-1.4 39,-0.5 15,-0.2 2,-0.3 -0.390 45.1-180.0 -65.7 126.7 39.1 15.2 16.2 25 31 B V E -J 38 0C 0 13,-2.4 13,-1.6 -2,-0.3 2,-0.4 -0.869 22.4-138.2-121.1 160.4 40.7 17.9 18.4 26 32 B S E -JK 37 61C 2 35,-1.5 35,-3.1 -2,-0.3 2,-0.5 -0.908 15.2-143.0-118.0 133.0 40.3 18.9 22.0 27 33 B L E -JK 36 60C 0 9,-2.5 8,-2.3 -2,-0.4 9,-1.2 -0.941 19.3-165.4 -99.3 128.4 40.1 22.6 23.0 28 34 B Q E -JK 34 59C 41 31,-2.2 31,-2.5 -2,-0.5 6,-0.2 -0.929 10.1-139.7-118.6 135.5 41.9 23.4 26.3 29 35 B D - 0 0 8 4,-1.8 30,-0.1 -2,-0.4 29,-0.0 -0.203 40.8 -88.2 -80.3-173.3 41.5 26.6 28.3 30 36 B K S S+ 0 0 153 1,-0.2 -1,-0.1 2,-0.2 28,-0.0 0.905 128.7 59.3 -71.0 -42.1 44.4 28.2 30.0 31 37 B T S S- 0 0 55 1,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.981 123.3-117.2 -44.8 -44.7 44.2 26.3 33.3 32 38 B G + 0 0 29 1,-0.3 2,-0.4 27,-0.0 -2,-0.2 0.770 66.5 120.9 117.0 35.5 44.7 23.7 30.7 33 39 B F - 0 0 46 238,-0.0 -4,-1.8 0, 0.0 -1,-0.3 -0.962 64.5 -83.3-140.0 159.6 41.8 21.3 30.4 34 40 B H E +J 28 0C 22 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.377 44.9 155.6 -46.3 120.4 39.2 20.1 27.9 35 41 B F E - 0 0 28 -8,-2.3 2,-0.3 1,-0.4 151,-0.2 0.285 68.0 -4.6-125.4 -10.9 36.1 22.3 27.4 36 42 B b E -J 27 0C 4 -9,-1.2 -9,-2.5 151,-0.1 -1,-0.4 -0.977 61.5-122.0-168.6 165.5 35.0 21.4 23.9 37 43 B G E +J 26 0C 3 151,-3.9 12,-0.4 -2,-0.3 2,-0.3 -0.575 27.7 178.4-106.0-176.7 35.9 19.3 20.8 38 44 B G E -J 25 0C 0 -13,-1.6 -13,-2.4 -2,-0.2 2,-0.4 -0.941 21.7-117.4-166.3 179.4 36.5 20.6 17.3 39 45 B S E -JL 24 47C 0 8,-2.5 8,-2.8 -2,-0.3 2,-0.4 -0.994 16.6-125.2-137.0 141.3 37.5 19.3 13.9 40 46 B L E + L 0 46C 0 -17,-2.0 75,-2.4 -2,-0.4 6,-0.2 -0.661 28.4 169.1 -81.0 131.0 40.4 19.9 11.6 41 47 B I S S+ 0 0 10 4,-2.4 2,-0.3 -2,-0.4 73,-0.2 0.610 73.0 1.2-108.3 -18.9 39.3 20.9 8.1 42 48 B N S S- 0 0 62 3,-1.3 3,-0.5 71,-0.1 -1,-0.4 -0.887 83.8 -92.1-152.7 174.4 42.8 22.0 7.0 43 49 B E S S+ 0 0 84 -2,-0.3 63,-2.7 1,-0.2 61,-0.1 0.450 128.1 36.0 -75.1 -4.8 46.3 22.1 8.4 44 50 B N S S+ 0 0 58 61,-0.2 58,-3.0 1,-0.2 2,-0.4 0.429 110.6 59.1-123.2 -7.2 45.4 25.7 9.4 45 51 B W E - M 0 101C 9 -3,-0.5 -4,-2.4 56,-0.2 -3,-1.3 -0.987 48.0-167.7-142.6 146.1 41.8 25.7 10.5 46 52 B V E -LM 40 100C 0 54,-2.9 54,-2.0 -2,-0.4 2,-0.5 -0.937 13.5-146.6-127.7 135.3 39.4 24.1 13.0 47 53 B V E +LM 39 99C 5 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.3 -0.881 31.5 153.0-101.1 138.8 35.6 24.2 13.1 48 54 B T E - M 0 98C 0 50,-3.0 50,-2.7 -2,-0.5 2,-0.3 -0.865 48.2 -74.2-147.9-176.8 33.9 24.2 16.4 49 55 B A > - 0 0 1 -12,-0.4 3,-0.8 48,-0.3 5,-0.3 -0.683 31.2-136.2 -84.4 145.8 30.6 25.4 18.0 50 56 B A G > S+ 0 0 9 -2,-0.3 3,-2.3 1,-0.2 4,-0.2 0.862 101.0 64.9 -63.5 -43.1 30.2 29.1 18.6 51 57 B H G 3 S+ 0 0 5 1,-0.3 -1,-0.2 42,-0.1 327,-0.1 0.765 80.9 80.8 -58.5 -16.7 28.7 28.5 22.2 52 58 B b G < S- 0 0 3 -3,-0.8 330,-0.4 1,-0.1 -1,-0.3 0.620 94.0-139.4 -63.5 -15.2 32.1 27.0 23.3 53 59 B G < - 0 0 23 -3,-2.3 -2,-0.1 1,-0.2 -3,-0.1 0.770 27.2-168.6 60.0 36.2 33.2 30.7 23.7 54 60 B V - 0 0 11 -5,-0.3 2,-0.2 -4,-0.2 -1,-0.2 -0.276 6.4-176.1 -62.0 138.1 36.8 30.1 22.3 55 61 B T > - 0 0 68 26,-0.0 3,-1.2 -2,-0.0 24,-0.1 -0.717 42.3 -95.2-127.0 174.6 39.3 32.8 22.7 56 62 B T T 3 S+ 0 0 76 1,-0.3 23,-0.5 -2,-0.2 -2,-0.1 0.594 120.4 58.7 -69.3 -8.2 42.8 33.3 21.6 57 63 B S T 3 S+ 0 0 73 21,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.683 85.2 95.5 -97.0 -10.7 44.2 32.0 24.8 58 64 B D S < S- 0 0 9 -3,-1.2 21,-0.6 1,-0.1 2,-0.3 -0.335 70.1-138.2 -69.6 161.5 42.5 28.6 24.4 59 65 B V E -KN 28 78C 22 -31,-2.5 -31,-2.2 19,-0.1 2,-0.5 -0.919 1.4-135.8-124.8 146.3 44.7 25.9 22.8 60 66 B V E -KN 27 77C 0 17,-2.9 17,-2.7 -2,-0.3 2,-0.5 -0.915 17.5-155.1 -99.0 131.7 43.9 23.4 20.2 61 67 B V E -KN 26 76C 8 -35,-3.1 -35,-1.5 -2,-0.5 2,-0.3 -0.912 14.2-179.0-112.5 118.6 45.2 19.8 20.9 62 68 B A E + N 0 75C 1 13,-3.0 13,-2.8 -2,-0.5 -37,-0.1 -0.868 59.3 28.1-115.3 148.1 45.7 17.4 17.9 63 69 B G S S+ 0 0 25 -39,-0.5 2,-0.3 -2,-0.3 -1,-0.2 0.368 83.7 144.3 87.0 8.0 46.9 13.8 17.7 64 70 B E + 0 0 25 -3,-0.3 -1,-0.3 -40,-0.2 -45,-0.2 -0.558 21.2 157.1 -82.9 133.1 45.5 13.0 21.2 65 71 B F + 0 0 25 1,-0.3 83,-1.1 -2,-0.3 2,-0.3 0.800 68.2 35.8-111.3 -58.7 43.9 9.7 22.3 66 72 B D B -P 147 0D 40 81,-0.2 3,-0.4 1,-0.1 -1,-0.3 -0.803 57.8-154.9-103.1 141.2 44.2 9.5 26.1 67 73 B Q S S+ 0 0 36 79,-1.6 80,-0.1 -2,-0.3 -1,-0.1 0.448 85.1 58.9 -96.0 2.0 44.0 12.4 28.7 68 74 B G + 0 0 46 78,-0.1 -1,-0.2 3,-0.0 2,-0.1 0.305 67.1 131.4-112.4 7.8 46.1 11.0 31.6 69 75 B S - 0 0 53 -3,-0.4 3,-0.2 1,-0.2 0, 0.0 -0.391 61.0-134.6 -65.5 133.7 49.5 10.4 30.0 70 76 B S S S- 0 0 138 1,-0.3 2,-0.2 -2,-0.1 -1,-0.2 0.772 95.0 -20.1 -55.3 -25.8 52.5 11.7 31.9 71 77 B S S S- 0 0 110 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 -0.746 75.0-177.2 176.9 135.5 53.4 12.9 28.4 72 78 B E - 0 0 74 -3,-0.2 2,-1.0 -2,-0.2 -8,-0.1 -0.853 38.8 -91.4-136.2 168.8 52.3 11.7 25.0 73 79 B K S S+ 0 0 204 -2,-0.3 2,-0.2 -10,-0.1 -2,-0.0 -0.767 71.2 120.7 -91.6 98.2 53.1 12.5 21.4 74 80 B I - 0 0 54 -2,-1.0 2,-0.4 -10,-0.1 -11,-0.2 -0.708 58.4-105.0-139.8-171.2 50.7 15.2 20.2 75 81 B Q E -N 62 0C 40 -13,-2.8 -13,-3.0 -2,-0.2 2,-0.8 -0.960 17.6-162.8-129.4 111.1 50.4 18.8 18.8 76 82 B K E -N 61 0C 151 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.839 21.4-163.1 -94.4 100.4 49.3 21.8 21.0 77 83 B L E -N 60 0C 8 -17,-2.7 -17,-2.9 -2,-0.8 2,-0.1 -0.717 12.1-133.9 -97.5 130.7 48.4 24.6 18.5 78 84 B K E -N 59 0C 151 -2,-0.4 25,-2.3 -19,-0.2 26,-0.6 -0.392 19.7-126.7 -75.5 151.7 48.0 28.2 19.2 79 85 B I E -O 102 0C 7 -21,-0.6 23,-0.3 -23,-0.5 3,-0.1 -0.851 21.7-176.7 -96.9 126.8 45.0 30.1 17.9 80 86 B A E S- 0 0 56 21,-2.9 2,-0.3 -2,-0.4 22,-0.2 0.851 70.9 -2.5 -93.7 -42.7 45.7 33.3 15.9 81 87 B K E -O 101 0C 115 20,-1.5 20,-2.4 -26,-0.1 -1,-0.4 -0.979 57.2-142.8-155.2 148.1 42.1 34.3 15.3 82 88 B V E -O 100 0C 15 -2,-0.3 2,-0.6 18,-0.2 18,-0.3 -0.868 9.8-161.6-105.9 137.2 38.5 33.2 16.0 83 89 B F E -O 99 0C 29 16,-3.9 16,-2.3 -2,-0.4 2,-0.2 -0.878 9.5-170.0-121.3 94.6 35.7 33.7 13.4 84 90 B K E -O 98 0C 129 -2,-0.6 2,-0.4 14,-0.2 14,-0.2 -0.645 35.7-105.5 -82.1 148.2 32.4 33.4 15.2 85 91 B N > - 0 0 9 12,-1.7 3,-2.0 10,-0.2 12,-0.1 -0.633 22.6-140.3 -67.2 125.8 29.5 33.3 12.7 86 92 B S T 3 S+ 0 0 102 -2,-0.4 -1,-0.2 1,-0.3 -2,-0.0 0.690 102.1 62.9 -59.1 -20.8 27.8 36.8 12.9 87 93 B K T 3 S+ 0 0 144 8,-0.1 -1,-0.3 2,-0.1 7,-0.1 0.605 75.0 122.8 -77.6 -14.4 24.5 34.9 12.6 88 94 B Y < - 0 0 52 -3,-2.0 2,-0.5 7,-0.2 7,-0.2 -0.230 49.5-155.9 -49.4 131.7 25.1 33.1 15.9 89 95 B N > - 0 0 62 5,-1.7 4,-1.5 1,-0.1 5,-0.3 -0.990 6.7-158.4-118.7 110.9 22.2 33.7 18.4 90 96 B S T 4 S+ 0 0 46 -2,-0.5 289,-0.2 1,-0.2 -1,-0.1 0.614 92.0 45.2 -68.8 -6.2 23.4 33.2 22.1 91 97 B L T 4 S+ 0 0 144 1,-0.1 -1,-0.2 3,-0.1 362,-0.1 0.734 122.9 31.9 -96.3 -33.0 19.7 32.6 23.3 92 98 B T T 4 S- 0 0 47 2,-0.1 -2,-0.2 -3,-0.0 78,-0.2 0.642 94.0-137.7 -98.3 -20.5 18.5 30.3 20.5 93 99 B I < + 0 0 3 -4,-1.5 3,-0.4 1,-0.2 2,-0.2 0.640 51.7 150.3 60.8 18.4 21.8 28.7 20.0 94 100 B N + 0 0 29 -5,-0.3 -5,-1.7 1,-0.2 -1,-0.2 -0.445 56.8 27.3 -78.3 150.6 21.1 28.8 16.2 95 101 B N S S- 0 0 29 -7,-0.2 2,-2.0 1,-0.2 -10,-0.2 0.934 79.6-178.8 63.1 46.5 24.0 29.2 13.8 96 102 B D + 0 0 1 -3,-0.4 2,-0.3 76,-0.2 126,-0.2 -0.330 30.4 112.3 -79.0 65.1 26.3 27.5 16.2 97 103 B I - 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