==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE/INHIBITOR COMPLEX 08-OCT-91 1CGI . COMPND 2 MOLECULE: ALPHA-CHYMOTRYPSINOGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR H.J.HECHT,M.SZARDENINGS,J.COLLINS,D.SCHOMBURG . 301 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12760.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 26.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 26 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 1 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 . 1 6 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 1 0 0 0 1 0 0 1 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 E a 0 0 113 0, 0.0 120,-0.2 0, 0.0 46,-0.1 0.000 360.0 360.0 360.0 146.0 12.0 22.0 13.0 2 2 E G + 0 0 1 118,-1.8 205,-1.2 204,-0.2 119,-0.1 0.749 360.0 107.4 47.3 54.4 12.4 20.7 16.6 3 3 E V - 0 0 100 117,-0.4 2,-0.2 203,-0.2 117,-0.1 -0.734 57.2-141.5-151.0 99.7 11.5 17.1 16.6 4 4 E P - 0 0 13 0, 0.0 113,-0.1 0, 0.0 22,-0.1 -0.404 10.5-145.8 -69.8 132.0 14.2 14.5 17.1 5 5 E A S S+ 0 0 65 111,-0.6 2,-0.5 -2,-0.2 112,-0.1 0.886 100.7 56.4 -56.6 -43.2 13.9 11.3 15.1 6 6 E I S S- 0 0 41 110,-0.7 -1,-0.1 19,-0.6 19,-0.0 -0.782 95.9-130.3 -98.7 125.6 15.5 10.1 18.3 7 7 E Q - 0 0 148 -2,-0.5 19,-0.1 -4,-0.1 20,-0.1 -0.768 15.2-130.0 -86.5 125.6 13.7 10.9 21.4 8 8 E P - 0 0 15 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.185 9.8-148.6 -70.3 155.0 15.4 12.5 24.4 9 9 E V - 0 0 93 2,-0.0 2,-0.7 -2,-0.0 14,-0.1 -0.883 11.8-171.3-132.3 98.4 15.0 11.0 27.8 10 10 E L - 0 0 60 -2,-0.4 2,-0.2 12,-0.1 12,-0.0 -0.865 12.2-178.2 -94.7 107.9 15.2 13.7 30.5 11 11 E S > - 0 0 45 -2,-0.7 3,-4.3 1,-0.0 4,-0.3 -0.681 47.2 -93.7-102.1 162.8 15.4 12.1 34.0 12 12 E G T 3 S+ 0 0 50 1,-0.3 3,-0.2 -2,-0.2 4,-0.2 0.484 123.7 68.9 -53.6 -6.7 15.5 13.7 37.4 13 13 E L T > S+ 0 0 109 1,-0.2 3,-0.6 2,-0.2 -1,-0.3 0.669 86.7 67.4 -86.1 -19.8 19.3 13.5 37.1 14 14 E S T < S+ 0 0 1 -3,-4.3 145,-4.7 1,-0.2 5,-0.3 0.522 100.4 51.1 -73.4 -9.7 19.0 16.1 34.4 15 15 E R T 3 S+ 0 0 127 -4,-0.3 2,-0.3 -3,-0.2 -1,-0.2 0.562 101.6 65.6-104.5 -11.5 17.9 18.4 37.2 16 16 E I S < S- 0 0 98 -3,-0.6 171,-0.1 -4,-0.2 172,-0.1 -0.817 100.7 -18.6-123.1 159.1 20.7 18.0 39.8 17 17 E V S S- 0 0 84 -2,-0.3 -1,-0.2 1,-0.2 171,-0.2 0.651 128.0 -22.4 -10.7 99.2 24.4 18.7 40.1 18 18 E N S S- 0 0 19 169,-0.9 -1,-0.2 -3,-0.1 170,-0.1 0.924 95.6-109.0 42.0 78.8 25.5 19.1 36.7 19 19 E G - 0 0 16 -5,-0.3 2,-0.3 168,-0.1 139,-0.2 0.627 39.2 -76.6 21.6-153.9 23.0 17.3 34.6 20 20 E E E -A 157 0A 24 137,-3.0 137,-3.4 -6,-0.2 2,-0.5 -0.773 35.2 -91.0-131.5 174.5 23.2 14.1 32.7 21 21 E E E -A 156 0A 83 135,-0.3 135,-0.3 -2,-0.3 134,-0.1 -0.809 47.3-129.4 -91.5 130.3 24.4 12.4 29.7 22 22 E A - 0 0 5 133,-1.6 -1,-0.1 -2,-0.5 -12,-0.1 -0.122 23.0 -94.4 -75.0 163.5 22.0 12.4 26.8 23 23 E V > - 0 0 52 1,-0.1 3,-1.7 -14,-0.1 4,-0.2 -0.660 57.4-101.9 -78.1 129.9 20.7 9.7 24.6 24 24 E P T 3 S+ 0 0 67 0, 0.0 47,-0.1 0, 0.0 -1,-0.1 -0.444 104.5 14.5 -58.9 131.8 23.0 9.7 21.5 25 25 E G T 3 S+ 0 0 18 45,-0.2 -19,-0.6 92,-0.1 -20,-0.2 0.388 89.2 115.1 81.0 4.7 21.3 11.5 18.6 26 26 E S S < S+ 0 0 1 -3,-1.7 3,-0.1 1,-0.2 91,-0.0 0.423 75.9 46.2 -79.3 -8.8 18.4 13.2 20.6 27 27 E W > + 0 0 6 90,-0.2 3,-2.4 -4,-0.2 -1,-0.2 -0.706 69.0 171.6-136.0 71.9 19.5 16.9 20.0 28 28 E P T 3 S+ 0 0 2 0, 0.0 91,-0.7 0, 0.0 41,-0.3 0.676 73.9 59.0 -58.3 -25.6 20.2 16.7 16.3 29 29 E W T 3 S+ 0 0 0 89,-0.2 17,-2.3 91,-0.1 2,-0.4 0.465 81.9 110.2 -83.3 -5.2 20.6 20.5 16.0 30 30 E Q E < +J 45 0B 7 -3,-2.4 39,-0.4 15,-0.2 2,-0.3 -0.694 46.6 175.8 -76.4 122.2 23.5 20.3 18.5 31 31 E V E -J 44 0B 0 13,-2.8 13,-2.1 -2,-0.4 2,-0.4 -0.898 25.2-133.7-133.7 159.2 26.9 21.0 16.9 32 32 E S E -JK 43 67B 0 35,-1.5 35,-2.6 -2,-0.3 2,-0.3 -0.958 12.7-142.4-110.9 125.6 30.4 21.3 18.2 33 33 E L E +JK 42 66B 1 9,-2.7 8,-1.8 -2,-0.4 9,-1.1 -0.688 33.0 176.6 -89.1 131.4 32.7 24.2 17.0 34 34 E Q E -JK 40 65B 22 31,-2.0 31,-2.5 -2,-0.3 6,-0.2 -0.949 29.9-113.4-143.3 158.2 36.3 22.9 16.6 35 35 E D > - 0 0 43 4,-1.1 3,-0.7 -2,-0.3 30,-0.3 -0.092 44.7-100.8 -69.5 179.1 39.8 24.0 15.6 36 36 E K T 3 S+ 0 0 187 1,-0.2 28,-0.1 2,-0.1 -1,-0.1 0.749 129.1 64.8 -77.8 -23.0 41.5 22.5 12.5 37 37 E T T 3 S- 0 0 106 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.573 121.4-109.9 -66.4 -19.2 43.0 20.6 15.4 38 38 E G < + 0 0 49 -3,-0.7 2,-0.6 1,-0.3 -2,-0.1 0.870 68.0 149.3 83.4 42.1 39.8 18.9 16.3 39 39 E F - 0 0 64 -4,-0.1 -4,-1.1 2,-0.0 2,-0.3 -0.953 44.4-136.6-114.4 115.7 39.5 20.9 19.5 40 40 E H E +J 34 0B 10 -2,-0.6 -6,-0.2 -6,-0.2 111,-0.1 -0.508 36.8 156.4 -68.4 121.3 36.0 21.7 20.8 41 41 E F E - 0 0 0 -8,-1.8 225,-1.6 -2,-0.3 2,-0.3 0.382 66.6 -3.1-121.8 -10.9 35.9 25.4 22.0 42 42 E b E -J 33 0B 0 -9,-1.1 -9,-2.7 223,-0.2 -1,-0.3 -0.996 61.2-124.7-168.9 171.6 32.2 26.0 21.7 43 43 E G E -J 32 0B 2 152,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.652 22.2-175.3-118.9-179.8 28.8 24.5 20.6 44 44 E G E -J 31 0B 0 -13,-2.1 -13,-2.8 -2,-0.2 2,-0.4 -0.938 20.6-122.4-166.8 171.2 26.2 25.8 18.2 45 45 E S E -JL 30 53B 0 8,-2.1 8,-3.5 -2,-0.3 2,-0.5 -0.970 20.7-126.6-131.6 139.0 22.7 24.9 17.0 46 46 E L E + L 0 52B 0 -17,-2.3 75,-2.2 -2,-0.4 6,-0.2 -0.869 25.9 174.4 -88.7 122.6 21.7 24.2 13.4 47 47 E I S S+ 0 0 19 4,-1.3 2,-0.2 -2,-0.5 76,-0.1 0.513 72.9 1.5-101.4 -15.2 18.7 26.3 12.2 48 48 E N S S- 0 0 41 3,-1.0 73,-0.1 71,-0.1 71,-0.1 -0.757 88.7 -89.3-150.0-174.8 18.8 25.1 8.5 49 49 E E S S+ 0 0 82 -2,-0.2 63,-3.8 1,-0.2 3,-0.1 0.444 126.7 36.2 -89.4 -1.8 20.9 22.7 6.5 50 50 E N S S+ 0 0 63 61,-0.2 58,-3.3 1,-0.1 2,-0.4 0.535 107.1 59.1-119.7 -26.9 23.2 25.7 5.8 51 51 E W E - M 0 107B 8 56,-0.2 -4,-1.3 61,-0.1 -3,-1.0 -0.891 52.2-163.1-119.3 152.2 23.4 28.0 8.8 52 52 E V E -LM 46 106B 0 54,-2.1 54,-3.8 -2,-0.4 2,-0.4 -0.980 12.3-144.6-130.4 139.1 24.5 27.6 12.4 53 53 E V E +LM 45 105B 0 -8,-3.5 -8,-2.1 -2,-0.4 2,-0.2 -0.909 32.3 152.0-108.6 132.6 23.7 29.9 15.2 54 54 E T E - M 0 104B 0 50,-2.8 50,-1.7 -2,-0.4 2,-0.4 -0.733 46.8 -75.3-142.8-171.9 26.3 30.5 17.9 55 55 E A > - 0 0 1 -12,-0.4 3,-0.6 -2,-0.2 5,-0.3 -0.827 31.6-140.8 -94.9 137.4 27.6 33.0 20.5 56 56 E A T 3 S+ 0 0 5 -2,-0.4 3,-0.4 1,-0.2 47,-0.1 0.466 97.1 65.3 -76.1 -14.7 29.7 35.9 19.2 57 57 E H T 3 S+ 0 0 18 1,-0.2 -1,-0.2 45,-0.2 208,-0.1 0.459 85.5 76.8 -86.2 -5.2 32.2 35.8 22.1 58 58 E b S < S- 0 0 1 -3,-0.6 -1,-0.2 2,-0.0 -2,-0.2 0.804 91.2-143.1 -76.3 -28.2 33.3 32.4 20.8 59 59 E G - 0 0 42 -3,-0.4 2,-0.2 1,-0.2 -3,-0.1 0.932 20.4-167.7 66.6 53.4 35.3 33.9 17.9 60 60 E V - 0 0 15 -5,-0.3 2,-0.3 2,-0.0 -1,-0.2 -0.525 1.7-160.8 -75.1 138.3 34.7 31.4 15.2 61 61 E T > - 0 0 78 -2,-0.2 3,-2.1 1,-0.0 24,-0.1 -0.741 34.2-110.0-110.3 160.1 36.9 31.7 12.1 62 62 E T T 3 S+ 0 0 81 1,-0.3 23,-0.8 -2,-0.3 25,-0.1 0.772 120.1 64.8 -62.1 -20.6 36.3 30.3 8.6 63 63 E S T 3 S+ 0 0 83 21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.607 87.4 89.0 -73.4 -20.4 39.2 28.1 9.5 64 64 E D S < S- 0 0 15 -3,-2.1 21,-0.6 -29,-0.1 2,-0.3 -0.475 72.5-131.5 -83.8 163.2 37.1 26.4 12.2 65 65 E V E -KN 34 84B 18 -31,-2.5 -31,-2.0 -30,-0.3 2,-0.5 -0.945 1.4-142.7-120.0 139.3 35.0 23.4 11.7 66 66 E V E -KN 33 83B 0 17,-2.0 17,-2.3 -2,-0.3 2,-0.6 -0.895 20.1-154.8-102.9 120.9 31.3 22.6 12.6 67 67 E V E -KN 32 82B 2 -35,-2.6 -35,-1.5 -2,-0.5 3,-0.4 -0.912 11.2-164.0-105.7 117.3 31.0 18.9 13.5 68 68 E A E + N 0 81B 1 13,-3.9 13,-3.4 -2,-0.6 -37,-0.1 -0.733 61.4 21.8-105.4 150.0 27.5 17.4 13.1 69 69 E G S S+ 0 0 15 -39,-0.4 2,-0.3 -2,-0.3 -1,-0.2 0.718 80.2 154.4 71.3 39.1 26.1 14.3 14.4 70 70 E E + 0 0 34 -3,-0.4 -1,-0.2 -40,-0.3 -45,-0.2 -0.701 18.2 152.1-101.0 143.9 28.4 13.8 17.4 71 71 E F S S+ 0 0 23 1,-0.4 2,-0.7 -2,-0.3 84,-0.5 0.621 77.1 30.6-112.3 -85.6 27.7 12.0 20.7 72 72 E D > - 0 0 40 82,-0.2 3,-0.6 1,-0.2 -1,-0.4 -0.840 57.7-174.1 -86.9 110.8 31.0 10.7 22.0 73 73 E Q T 3 S+ 0 0 44 80,-2.9 -1,-0.2 -2,-0.7 81,-0.1 0.578 87.6 65.6 -77.4 -20.3 33.8 13.0 20.9 74 74 E G T 3 S+ 0 0 42 2,-0.0 -1,-0.2 3,-0.0 80,-0.1 0.377 89.4 85.8 -81.8 -1.4 36.1 10.4 22.5 75 75 E S < - 0 0 36 -3,-0.6 -2,-0.1 78,-0.2 78,-0.0 0.513 55.2-169.3 -65.6-139.0 35.0 8.0 19.8 76 76 E S S S+ 0 0 131 -4,-0.2 -1,-0.1 0, 0.0 -3,-0.1 0.101 79.8 77.1 150.5 7.6 36.6 7.8 16.4 77 77 E S + 0 0 112 -5,-0.2 2,-0.3 2,-0.0 -3,-0.0 -0.060 65.6 103.0-132.2 34.4 33.7 5.6 15.3 78 78 E E S S- 0 0 66 -6,-0.1 2,-1.2 -5,-0.1 -8,-0.1 -0.805 72.8-113.0-116.9 155.3 30.7 7.8 14.7 79 79 E K + 0 0 201 -2,-0.3 2,-0.3 -10,-0.1 -2,-0.0 -0.776 55.7 164.6 -90.3 91.6 29.1 9.0 11.5 80 80 E I - 0 0 55 -2,-1.2 2,-0.6 -10,-0.0 -11,-0.2 -0.815 37.7-129.3-120.4 157.1 29.7 12.7 11.7 81 81 E Q E -N 68 0B 38 -13,-3.4 -13,-3.9 -2,-0.3 2,-0.9 -0.859 11.1-167.9-106.7 114.4 29.7 15.7 9.5 82 82 E K E -N 67 0B 141 -2,-0.6 2,-0.3 -15,-0.2 -15,-0.2 -0.845 20.5-173.1-103.2 91.3 32.6 18.0 9.4 83 83 E L E -N 66 0B 8 -17,-2.3 -17,-2.0 -2,-0.9 2,-0.2 -0.695 16.6-132.3 -86.6 142.5 31.2 21.0 7.6 84 84 E K E -N 65 0B 116 -2,-0.3 25,-1.7 -19,-0.2 26,-0.8 -0.444 19.0-122.9 -91.0 164.5 33.4 23.9 6.5 85 85 E I E +O 108 0B 10 -23,-0.8 23,-0.3 -21,-0.6 3,-0.1 -0.904 25.8 176.9-105.2 138.4 32.5 27.6 7.1 86 86 E A E S+ 0 0 47 21,-4.4 2,-0.3 1,-0.4 22,-0.2 0.654 70.7 11.5-105.2 -35.5 32.2 30.1 4.3 87 87 E K E -O 107 0B 98 20,-1.6 20,-6.0 -26,-0.1 2,-0.5 -0.959 54.4-154.5-158.7 133.9 31.0 33.1 6.2 88 88 E V E -O 106 0B 30 -2,-0.3 2,-0.5 18,-0.3 18,-0.2 -0.934 11.7-165.9-103.7 120.0 30.7 34.2 9.8 89 89 E F E -O 105 0B 36 16,-4.8 16,-3.0 -2,-0.5 2,-0.4 -0.862 11.7-175.4-121.3 87.1 28.0 36.9 10.3 90 90 E K E -O 104 0B 110 -2,-0.5 14,-0.2 14,-0.3 12,-0.1 -0.732 34.3-101.5 -89.2 126.6 28.5 38.3 13.8 91 91 E N > - 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