==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-MAR-07 2P8O . COMPND 2 MOLECULE: CHYMOTRYPSIN A CHAIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR A.MOULIN,J.H.BELL,R.F.PRATT,D.RINGE . 236 3 5 3 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10535.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 32.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 22 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 5 2 2 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 0 1 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 0 107 0, 0.0 116,-0.2 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 164.8 14.0 18.6 23.3 2 2 A G + 0 0 0 114,-2.6 198,-3.0 197,-0.1 115,-0.1 0.446 360.0 103.0 80.5 -1.5 13.1 17.9 26.9 3 3 A V - 0 0 100 113,-0.3 -1,-0.1 196,-0.2 196,-0.1 -0.851 60.3-146.6-123.4 94.9 9.3 17.7 26.8 4 4 A P - 0 0 8 0, 0.0 109,-0.1 0, 0.0 18,-0.1 -0.327 10.0-142.7 -58.1 137.4 7.9 14.2 27.0 5 5 A A S S+ 0 0 61 107,-0.6 2,-0.7 106,-0.2 108,-0.1 0.772 100.9 51.5 -65.6 -31.1 4.7 13.5 25.0 6 6 A I S S- 0 0 46 106,-0.5 -1,-0.2 15,-0.4 13,-0.1 -0.927 100.3-130.5-108.2 111.7 3.7 11.3 27.9 7 7 A Q - 0 0 152 -2,-0.7 15,-0.1 1,-0.1 16,-0.1 -0.396 16.2-122.9 -74.4 131.9 4.2 13.3 31.1 8 8 A P - 0 0 32 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.380 21.5-146.8 -67.9 152.8 6.2 11.8 33.9 9 9 A V 0 0 85 -2,-0.0 10,-0.3 10,-0.0 13,-0.1 -0.993 360.0 360.0-132.3 120.2 4.5 11.5 37.2 10 10 A L 0 0 152 -2,-0.4 142,-0.1 8,-0.1 140,-0.1 0.298 360.0 360.0 18.4 360.0 6.4 11.8 40.6 11 !* 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 12 16 B I > 0 0 0 0, 0.0 3,-0.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 128.8 17.8 2.4 41.4 13 17 B V B 3 +A 182 0A 18 169,-3.3 169,-1.7 1,-0.2 128,-0.1 -0.786 360.0 1.4 -89.7 130.3 17.3 1.6 45.0 14 18 B N T 3 S+ 0 0 114 126,-0.6 -1,-0.2 -2,-0.5 2,-0.1 0.692 101.1 120.6 67.5 27.1 14.1 2.9 46.6 15 19 B G < - 0 0 28 -3,-0.6 2,-0.3 167,-0.1 136,-0.2 0.004 55.0-125.4 -89.5-155.0 12.8 4.4 43.5 16 20 B E E -B 150 0B 73 134,-2.4 134,-2.6 -3,-0.1 2,-0.1 -0.978 28.9 -75.8-152.3 165.8 9.6 3.5 41.8 17 21 B E E -B 149 0B 102 -2,-0.3 132,-0.3 132,-0.2 2,-0.1 -0.457 49.4-127.0 -67.0 136.7 8.2 2.4 38.5 18 22 B A - 0 0 2 130,-2.6 -8,-0.1 -2,-0.1 -1,-0.1 -0.416 26.9 -96.5 -78.2 155.0 7.9 5.1 35.8 19 23 B V > - 0 0 48 -10,-0.3 3,-2.2 1,-0.1 4,-0.2 -0.562 62.3 -95.8 -60.8 129.1 4.9 6.0 33.8 20 24 B P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.256 103.9 2.9 -57.8 132.7 5.5 3.9 30.6 21 25 B G T 3 S+ 0 0 16 45,-0.2 -15,-0.4 2,-0.1 -16,-0.2 0.472 92.7 121.0 74.4 5.7 7.2 6.0 27.9 22 26 B S S < S+ 0 0 0 -3,-2.2 3,-0.1 1,-0.2 -1,-0.1 0.430 73.0 50.4 -83.4 -3.6 7.4 9.1 30.1 23 27 B W S > S+ 0 0 10 -4,-0.2 3,-2.0 90,-0.1 -1,-0.2 -0.670 71.3 170.8-124.2 70.0 11.3 9.3 29.8 24 28 B P T 3 S+ 0 0 3 0, 0.0 91,-1.1 0, 0.0 41,-0.3 0.600 70.1 57.9 -71.4 -9.3 11.5 9.0 26.0 25 29 B W T 3 S+ 0 0 0 89,-0.2 17,-2.1 91,-0.1 2,-0.3 0.613 81.6 107.5 -87.4 -17.1 15.2 9.7 25.7 26 30 B Q E < +J 41 0C 5 -3,-2.0 39,-0.5 15,-0.2 40,-0.3 -0.410 48.3 179.1 -70.0 127.0 16.1 6.8 28.0 27 31 B V E -J 40 0C 0 13,-2.4 13,-1.1 -2,-0.3 2,-0.4 -0.834 25.0-129.2-120.0 163.6 17.6 3.9 26.1 28 32 B S E -JK 39 63C 0 35,-2.4 35,-2.6 -2,-0.3 2,-0.6 -0.948 14.4-146.3-109.1 129.1 19.0 0.5 27.2 29 33 B L E -JK 38 62C 1 9,-3.0 8,-2.7 -2,-0.4 9,-1.3 -0.894 26.8-178.4 -97.0 121.3 22.5 -0.5 26.1 30 34 B Q E -JK 36 61C 28 31,-2.6 31,-2.8 -2,-0.6 6,-0.2 -0.923 21.2-131.5-120.6 144.4 22.4 -4.3 25.5 31 35 B D > - 0 0 45 4,-1.9 3,-2.3 -2,-0.4 29,-0.1 -0.216 46.0 -84.3 -83.1-174.3 25.1 -6.6 24.5 32 36 B K T 3 S+ 0 0 174 1,-0.3 -1,-0.1 2,-0.1 28,-0.1 0.727 128.8 58.6 -70.0 -18.0 24.7 -9.2 21.7 33 37 B T T 3 S- 0 0 116 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.407 120.0-108.1 -84.3 0.9 23.1 -11.7 24.1 34 38 B G < + 0 0 42 -3,-2.3 2,-0.4 1,-0.3 -2,-0.1 0.554 68.6 149.9 84.5 10.5 20.4 -9.1 24.9 35 39 B F - 0 0 119 1,-0.0 -4,-1.9 2,-0.0 2,-0.5 -0.654 46.3-130.5 -79.6 122.5 21.7 -8.4 28.4 36 40 B H E +J 30 0C 8 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.645 40.1 157.4 -69.1 123.1 21.0 -4.9 29.6 37 41 B F E + 0 0 43 -8,-2.7 149,-0.3 -2,-0.5 2,-0.3 0.573 57.5 6.9-123.2 -16.5 24.3 -3.5 31.0 38 42 B b E -J 29 0C 5 -9,-1.3 -9,-3.0 149,-0.1 -1,-0.3 -0.982 61.0-125.3-152.7 164.9 24.0 0.4 30.9 39 43 B G E +J 28 0C 2 149,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.475 25.2 178.2-100.7-178.4 21.6 3.2 30.2 40 44 B G E -J 27 0C 0 -13,-1.1 -13,-2.4 -2,-0.2 2,-0.4 -0.960 21.1-124.9-167.9 172.2 22.0 6.2 27.8 41 45 B S E -JL 26 49C 0 8,-2.3 8,-2.8 -2,-0.3 2,-0.3 -0.993 17.7-127.7-132.9 129.9 20.0 9.2 26.6 42 46 B L E + L 0 48C 0 -17,-2.1 75,-2.6 -2,-0.4 6,-0.2 -0.608 21.7 179.3 -70.2 133.8 19.1 10.3 23.1 43 47 B I E S- 0 0 19 4,-2.3 2,-0.3 1,-0.4 5,-0.1 0.445 73.6 -17.4-109.7 -7.4 20.1 13.8 22.3 44 48 B N E > S- L 0 47C 40 3,-1.0 3,-0.7 71,-0.1 -1,-0.4 -0.920 88.8 -73.8-174.7-175.2 18.8 13.7 18.7 45 49 B E T 3 S+ 0 0 86 -2,-0.3 63,-3.2 1,-0.2 3,-0.1 0.660 127.2 37.1 -70.1 -12.5 17.7 11.0 16.2 46 50 B N T 3 S+ 0 0 64 61,-0.2 58,-2.8 1,-0.1 2,-0.4 0.468 109.0 59.0-117.0 -4.3 21.3 10.0 15.5 47 51 B W E < -LM 44 103C 12 -3,-0.7 -4,-2.3 56,-0.2 -3,-1.0 -0.989 49.1-167.8-141.2 138.5 23.2 10.2 18.8 48 52 B V E -LM 42 102C 0 54,-2.2 54,-2.8 -2,-0.4 2,-0.5 -0.959 14.1-147.6-120.5 136.4 23.1 8.8 22.3 49 53 B V E +LM 41 101C 1 -8,-2.8 -8,-2.3 -2,-0.4 2,-0.2 -0.892 32.3 149.1-104.9 134.8 25.1 10.0 25.2 50 54 B T E - M 0 100C 0 50,-2.9 50,-2.2 -2,-0.5 2,-0.3 -0.757 48.7 -68.2-144.2-170.8 26.2 7.5 27.8 51 55 B A > - 0 0 1 -12,-0.4 3,-1.5 48,-0.3 5,-0.4 -0.679 30.1-137.1 -89.0 143.2 29.1 6.9 30.3 52 56 B A G > S+ 0 0 7 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.882 103.8 62.3 -64.8 -35.5 32.6 6.2 29.1 53 57 B H G 3 S+ 0 0 62 1,-0.3 -1,-0.3 2,-0.1 135,-0.0 0.585 82.2 81.8 -69.0 -6.6 33.1 3.5 31.7 54 58 B b G < S- 0 0 15 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.672 89.8-144.9 -69.2 -16.0 30.1 1.5 30.1 55 59 B G < - 0 0 51 -3,-1.8 -2,-0.1 -4,-0.3 -3,-0.1 0.838 23.6-170.7 63.0 29.9 32.7 0.3 27.6 56 60 B V - 0 0 14 -5,-0.4 2,-0.3 -4,-0.1 -1,-0.1 -0.216 5.0-170.4 -55.8 140.7 30.3 0.2 24.7 57 61 B T > - 0 0 71 26,-0.0 3,-1.9 4,-0.0 24,-0.1 -0.816 39.7-103.4-122.4 167.7 31.4 -1.4 21.4 58 62 B T T 3 S+ 0 0 81 1,-0.3 23,-0.4 -2,-0.3 -2,-0.1 0.527 118.1 67.5 -74.2 -1.6 29.9 -1.4 18.0 59 63 B S T 3 S+ 0 0 69 21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.540 87.7 87.4 -88.3 -5.6 28.7 -5.0 18.7 60 64 B D S < S- 0 0 18 -3,-1.9 21,-0.6 -29,-0.1 2,-0.4 -0.460 73.1-132.5 -85.2 168.3 26.3 -3.6 21.3 61 65 B V E -KN 30 80C 39 -31,-2.8 -31,-2.6 19,-0.1 2,-0.5 -0.959 1.9-139.2-127.4 137.2 22.8 -2.3 20.6 62 66 B V E -KN 29 79C 0 17,-2.6 17,-3.4 -2,-0.4 2,-0.6 -0.880 20.0-159.8 -91.6 123.4 20.9 0.8 21.6 63 67 B V E -KN 28 78C 0 -35,-2.6 -35,-2.4 -2,-0.5 2,-0.3 -0.946 11.4-174.2-111.4 114.9 17.3 -0.1 22.5 64 68 B A E + N 0 77C 0 13,-2.7 13,-2.4 -2,-0.6 -37,-0.1 -0.723 59.4 28.0-103.4 153.3 14.8 2.9 22.3 65 69 B G S S+ 0 0 14 -39,-0.5 2,-0.3 48,-0.4 -1,-0.2 0.622 82.0 143.2 79.6 13.1 11.2 3.0 23.3 66 70 B E + 0 0 20 -40,-0.3 -1,-0.2 -3,-0.3 -45,-0.2 -0.630 18.9 156.2 -94.6 144.2 11.3 0.3 26.0 67 71 B F S S+ 0 0 18 1,-0.3 81,-1.8 -2,-0.3 2,-0.6 0.597 74.6 34.3-118.7 -58.9 9.5 0.2 29.3 68 72 B D B > -P 147 0D 21 79,-0.2 3,-1.8 1,-0.1 -1,-0.3 -0.898 59.7-166.7-107.9 109.2 9.2 -3.5 30.4 69 73 B Q T 3 S+ 0 0 42 77,-3.0 -1,-0.1 -2,-0.6 78,-0.1 0.601 90.9 60.0 -76.7 -7.0 12.3 -5.5 29.4 70 74 B G T 3 S+ 0 0 54 76,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.381 90.3 91.6 -92.6 -1.5 10.3 -8.6 30.2 71 75 B S < - 0 0 37 -3,-1.8 3,-0.2 75,-0.2 -4,-0.1 -0.771 50.5-171.6 -99.2 139.5 7.6 -7.7 27.6 72 76 B S S S+ 0 0 129 -2,-0.3 -1,-0.1 1,-0.1 -3,-0.0 0.353 78.9 71.5-102.6 2.5 7.6 -8.8 23.9 73 77 B S + 0 0 99 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.386 69.6 107.4-102.1 7.6 4.7 -6.6 22.9 74 78 B E S S- 0 0 46 -6,-0.2 2,-1.6 -3,-0.2 -8,-0.1 -0.625 72.8-125.7 -84.8 145.2 6.4 -3.2 23.0 75 79 B K + 0 0 183 -2,-0.3 2,-0.2 -10,-0.1 -1,-0.1 -0.676 49.0 167.8 -87.7 87.9 7.2 -1.4 19.8 76 80 B I - 0 0 52 -2,-1.6 2,-0.5 -13,-0.0 -11,-0.2 -0.585 33.4-132.1 -97.7 164.4 10.9 -0.9 20.5 77 81 B Q E -N 64 0C 40 -13,-2.4 -13,-2.7 -2,-0.2 2,-0.7 -0.987 10.4-158.8-119.6 116.7 13.6 0.2 18.2 78 82 B K E -N 63 0C 152 -2,-0.5 2,-0.5 -15,-0.2 -15,-0.2 -0.889 20.8-165.3 -94.2 109.7 16.9 -1.9 18.2 79 83 B L E -N 62 0C 13 -17,-3.4 -17,-2.6 -2,-0.7 2,-0.1 -0.863 13.3-134.0-111.9 123.8 19.5 0.5 16.8 80 84 B K E -N 61 0C 154 -2,-0.5 25,-2.7 -19,-0.2 26,-0.6 -0.366 20.4-126.5 -67.3 150.0 22.9 -0.5 15.5 81 85 B I E -O 104 0C 9 -21,-0.6 23,-0.2 -23,-0.4 3,-0.1 -0.931 19.8-173.5-105.8 119.3 26.0 1.6 16.6 82 86 B A E - 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