==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 12-MAR-97 1AFQ . COMPND 2 MOLECULE: BOVINE GAMMA-CHYMOTRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.SUGIO,A.KASHIMA,Y.INOUE,I.MAEDA,T.NOSE,Y.SHIMOHIGASHI . 239 5 5 3 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10547.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 64.0 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 . 74 31.0 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 . 21 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.5 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 3 1 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 69 0, 0.0 116,-0.2 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 169.8 14.2 18.9 23.6 2 2 A G + 0 0 0 114,-2.9 199,-2.6 198,-0.2 115,-0.1 0.542 360.0 107.8 60.3 17.8 13.4 18.0 27.2 3 3 A V - 0 0 106 113,-0.3 -1,-0.1 197,-0.2 113,-0.1 -0.881 59.1-147.9-127.6 94.7 9.6 18.0 27.1 4 4 A P - 0 0 13 0, 0.0 109,-0.1 0, 0.0 18,-0.1 -0.307 11.5-142.4 -59.8 143.9 8.1 14.4 27.2 5 5 A A S S+ 0 0 69 107,-0.6 2,-0.7 16,-0.2 108,-0.1 0.825 99.1 53.2 -74.9 -31.9 4.9 13.7 25.4 6 6 A I S S- 0 0 36 106,-0.5 -1,-0.2 15,-0.4 13,-0.1 -0.911 98.6-128.0-105.2 111.7 3.9 11.4 28.2 7 7 A Q - 0 0 159 -2,-0.7 15,-0.1 1,-0.1 16,-0.1 -0.354 16.3-125.2 -65.7 129.6 4.3 13.4 31.5 8 8 A P - 0 0 22 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.445 18.4-146.3 -70.9 148.0 6.3 11.8 34.2 9 9 A V 0 0 95 -2,-0.1 10,-0.2 10,-0.0 13,-0.0 -0.986 360.0 360.0-118.9 115.6 4.5 11.5 37.5 10 10 A L 0 0 104 -2,-0.5 8,-0.0 8,-0.1 142,-0.0 -0.901 360.0 360.0-107.0 360.0 6.8 11.9 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 1 0, 0.0 3,-0.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 122.4 18.1 2.5 41.7 13 17 B V B 3 +A 183 0A 18 170,-3.1 170,-1.6 1,-0.2 128,-0.1 -0.761 360.0 2.4 -87.3 131.4 17.7 1.6 45.4 14 18 B N T 3 S+ 0 0 110 126,-0.7 -1,-0.2 -2,-0.5 126,-0.1 0.726 100.2 128.0 66.3 27.2 14.4 2.8 47.0 15 19 B G < - 0 0 29 -3,-0.7 2,-0.3 168,-0.1 137,-0.2 0.029 52.1-121.8 -89.8-156.3 13.1 4.3 43.7 16 20 B E E -B 151 0B 96 135,-2.2 135,-2.8 -3,-0.1 2,-0.2 -0.959 29.3 -86.8-148.2 159.2 9.8 3.7 42.1 17 21 B E E -B 150 0B 92 -2,-0.3 133,-0.2 133,-0.2 2,-0.2 -0.489 48.0-129.4 -68.1 137.7 8.5 2.4 38.8 18 22 B A - 0 0 3 131,-2.7 131,-0.1 -2,-0.2 -1,-0.1 -0.500 26.0 -94.8 -87.5 159.2 8.2 5.1 36.2 19 23 B V > - 0 0 50 -10,-0.2 3,-2.2 -2,-0.2 4,-0.2 -0.599 60.3 -95.1 -69.0 129.6 5.1 5.9 34.1 20 24 B P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.211 104.1 3.1 -53.4 127.3 5.8 4.0 30.9 21 25 B G T 3 S+ 0 0 17 45,-0.2 -15,-0.4 2,-0.1 -16,-0.2 0.407 91.6 119.5 78.0 2.5 7.5 6.2 28.2 22 26 B S S < S+ 0 0 0 -3,-2.2 -1,-0.1 1,-0.3 3,-0.1 0.527 74.7 49.5 -77.1 -9.1 7.7 9.3 30.4 23 27 B W S > S+ 0 0 7 -4,-0.2 3,-1.9 90,-0.1 -1,-0.3 -0.619 72.6 172.1-126.3 69.2 11.5 9.5 30.2 24 28 B P T 3 S+ 0 0 4 0, 0.0 91,-1.0 0, 0.0 41,-0.3 0.540 70.6 58.3 -56.7 -19.1 11.7 9.2 26.3 25 29 B W T 3 S+ 0 0 0 89,-0.2 17,-2.0 91,-0.1 2,-0.4 0.578 80.2 109.7 -87.5 -13.8 15.5 9.9 26.1 26 30 B Q E < +J 41 0C 6 -3,-1.9 39,-0.5 15,-0.2 40,-0.3 -0.499 46.7 178.3 -68.8 120.0 16.3 6.9 28.4 27 31 B V E -J 40 0C 0 13,-2.4 13,-1.2 -2,-0.4 2,-0.4 -0.769 22.9-133.5-119.1 163.0 18.0 4.1 26.5 28 32 B S E -JK 39 63C 0 35,-2.2 35,-2.9 -2,-0.3 2,-0.6 -0.943 10.6-144.6-115.1 135.0 19.4 0.8 27.6 29 33 B L E +JK 38 62C 0 9,-3.2 8,-2.6 -2,-0.4 9,-1.2 -0.932 28.0 177.7-100.8 118.9 22.8 -0.5 26.4 30 34 B Q E -JK 36 61C 27 31,-2.6 31,-3.3 -2,-0.6 6,-0.2 -0.956 23.7-129.7-123.3 141.7 22.6 -4.2 25.9 31 35 B D > - 0 0 44 4,-1.8 3,-2.5 -2,-0.4 29,-0.1 -0.338 44.8 -87.0 -79.2 177.8 25.3 -6.7 24.7 32 36 B K T 3 S+ 0 0 174 1,-0.3 -1,-0.1 2,-0.1 28,-0.1 0.703 128.1 59.5 -59.3 -20.6 24.6 -9.2 21.9 33 37 B T T 3 S- 0 0 116 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.490 120.6-106.8 -84.8 -5.3 23.2 -11.7 24.5 34 38 B G < + 0 0 45 -3,-2.5 2,-0.5 1,-0.3 -2,-0.1 0.560 69.1 148.8 90.9 12.7 20.5 -9.2 25.6 35 39 B F - 0 0 123 -4,-0.1 -4,-1.8 1,-0.0 2,-0.4 -0.682 44.7-134.7 -85.5 121.5 22.1 -8.3 28.9 36 40 B H E +J 30 0C 7 -2,-0.5 -6,-0.2 -6,-0.2 109,-0.1 -0.620 37.0 158.6 -74.2 124.7 21.5 -4.8 30.1 37 41 B F E + 0 0 45 -8,-2.6 150,-0.3 -2,-0.4 2,-0.3 0.586 57.9 6.7-122.9 -15.3 24.7 -3.3 31.4 38 42 B b E -J 29 0C 5 -9,-1.2 -9,-3.2 150,-0.1 -1,-0.3 -0.984 59.1-127.3-161.3 163.8 24.3 0.5 31.2 39 43 B G E +J 28 0C 2 150,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.522 25.4 176.9-106.8 178.7 21.9 3.3 30.6 40 44 B G E -J 27 0C 0 -13,-1.2 -13,-2.4 -2,-0.2 2,-0.4 -0.958 22.2-121.4-170.2 171.3 22.3 6.3 28.3 41 45 B S E -JL 26 49C 1 8,-2.3 8,-2.6 -2,-0.3 2,-0.4 -0.997 18.5-127.8-133.9 134.0 20.4 9.4 27.0 42 46 B L E + L 0 48C 0 -17,-2.0 75,-2.2 -2,-0.4 6,-0.2 -0.640 23.2 177.3 -76.3 127.2 19.4 10.4 23.5 43 47 B I S S- 0 0 5 4,-2.4 2,-0.3 -2,-0.4 5,-0.2 0.517 72.5 -19.8-105.6 -11.1 20.6 13.9 22.7 44 48 B N S S- 0 0 37 3,-1.1 3,-0.4 71,-0.1 -1,-0.4 -0.936 87.4 -72.5-174.7-179.6 19.3 13.8 19.1 45 49 B E S S+ 0 0 82 -2,-0.3 63,-2.8 1,-0.2 3,-0.0 0.731 128.6 32.9 -62.7 -23.1 18.3 11.1 16.5 46 50 B N S S+ 0 0 62 61,-0.2 58,-2.9 1,-0.1 2,-0.4 0.502 109.9 66.8-114.0 -2.7 21.9 10.1 15.9 47 51 B W E - M 0 103C 13 -3,-0.4 -4,-2.4 56,-0.2 -3,-1.1 -0.966 47.2-175.0-132.6 139.9 23.7 10.5 19.2 48 52 B V E -LM 42 102C 0 54,-2.1 54,-2.8 -2,-0.4 2,-0.4 -0.956 15.0-148.8-126.2 138.3 23.5 8.9 22.6 49 53 B V E +LM 41 101C 4 -8,-2.6 -8,-2.3 -2,-0.4 2,-0.2 -0.904 30.3 148.6-109.5 135.3 25.5 10.1 25.6 50 54 B T E - M 0 100C 0 50,-2.7 50,-2.4 -2,-0.4 2,-0.3 -0.811 49.5 -68.1-147.0-172.4 26.7 7.6 28.3 51 55 B A > - 0 0 1 -12,-0.4 3,-1.1 48,-0.3 5,-0.3 -0.655 31.4-135.6 -88.2 143.0 29.5 7.0 30.7 52 56 B A G > S+ 0 0 7 -2,-0.3 3,-1.7 1,-0.2 4,-0.2 0.879 103.7 63.7 -63.4 -34.3 33.0 6.2 29.4 53 57 B H G 3 S+ 0 0 33 1,-0.3 -1,-0.2 2,-0.1 136,-0.0 0.615 80.5 81.8 -68.9 -8.4 33.4 3.5 32.0 54 58 B b G < S- 0 0 14 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.1 0.711 89.2-144.6 -67.4 -20.2 30.5 1.5 30.4 55 59 B G < - 0 0 53 -3,-1.7 -2,-0.1 -4,-0.2 -3,-0.1 0.843 23.5-170.6 59.6 41.7 33.1 0.3 27.9 56 60 B V - 0 0 14 -5,-0.3 2,-0.3 -4,-0.2 -1,-0.1 -0.281 4.8-169.6 -66.1 142.3 30.7 0.2 25.0 57 61 B T > - 0 0 71 26,-0.0 3,-1.4 4,-0.0 24,-0.1 -0.782 40.4-100.7-123.0 173.0 31.9 -1.4 21.7 58 62 B T T 3 S+ 0 0 85 -2,-0.3 23,-0.4 1,-0.3 -2,-0.1 0.482 118.5 66.0 -74.6 -3.2 30.3 -1.4 18.3 59 63 B S T 3 S+ 0 0 73 21,-0.1 -1,-0.3 2,-0.1 -27,-0.1 0.471 85.6 89.2 -92.5 -9.4 28.9 -4.9 19.0 60 64 B D S < S- 0 0 19 -3,-1.4 21,-0.6 -29,-0.1 2,-0.4 -0.474 73.0-128.9 -84.3 165.5 26.6 -3.6 21.7 61 65 B V E -KN 30 80C 41 -31,-3.3 -31,-2.6 -2,-0.1 2,-0.6 -0.930 1.2-141.6-124.4 141.4 23.1 -2.4 21.1 62 66 B V E -KN 29 79C 0 17,-2.5 17,-3.4 -2,-0.4 2,-0.6 -0.869 19.9-161.5 -98.2 120.9 21.2 0.8 22.0 63 67 B V E -KN 28 78C 2 -35,-2.9 -35,-2.2 -2,-0.6 2,-0.3 -0.929 10.6-176.3-109.4 119.1 17.6 0.0 22.9 64 68 B A E + N 0 77C 1 13,-2.7 13,-2.7 -2,-0.6 -37,-0.1 -0.824 59.8 27.4-113.2 155.2 15.2 3.0 22.8 65 69 B G S S+ 0 0 17 -39,-0.5 2,-0.3 48,-0.3 -1,-0.2 0.617 83.8 138.9 75.0 13.7 11.5 3.2 23.7 66 70 B E + 0 0 22 -40,-0.3 -1,-0.2 -3,-0.2 -45,-0.2 -0.650 18.8 156.7 -93.7 147.9 11.7 0.3 26.2 67 71 B F S S+ 0 0 21 1,-0.3 82,-1.6 -2,-0.3 2,-0.7 0.535 73.0 36.6-126.9 -57.7 10.0 0.3 29.6 68 72 B D B > -P 148 0D 26 80,-0.2 3,-1.5 1,-0.1 -1,-0.3 -0.908 62.3-164.7-106.8 109.1 9.6 -3.4 30.6 69 73 B Q T 3 S+ 0 0 46 78,-2.9 -1,-0.1 -2,-0.7 79,-0.1 0.566 89.6 57.6 -70.5 -8.3 12.6 -5.5 29.6 70 74 B G T 3 S+ 0 0 56 77,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.461 88.8 96.7 -98.8 -3.2 10.6 -8.7 30.2 71 75 B S < - 0 0 40 -3,-1.5 3,-0.2 76,-0.1 -4,-0.1 -0.678 51.0-168.4 -91.5 143.9 7.8 -7.7 27.7 72 76 B S S S+ 0 0 126 -2,-0.3 -1,-0.1 1,-0.1 -3,-0.0 0.467 80.4 66.5-104.6 -4.7 7.6 -8.8 24.1 73 77 B S + 0 0 104 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.326 69.6 108.8-103.0 8.6 4.9 -6.4 23.1 74 78 B E S S- 0 0 47 -3,-0.2 2,-1.5 -6,-0.2 -8,-0.1 -0.659 71.1-129.1 -83.7 138.5 6.7 -3.1 23.3 75 79 B K + 0 0 204 -2,-0.3 2,-0.2 -10,-0.1 -2,-0.1 -0.716 46.8 170.7 -88.3 82.3 7.5 -1.5 20.0 76 80 B I - 0 0 53 -2,-1.5 2,-0.5 -13,-0.0 -11,-0.2 -0.484 31.9-128.5 -89.4 166.6 11.2 -0.9 20.9 77 81 B Q E -N 64 0C 42 -13,-2.7 -13,-2.7 -2,-0.2 2,-0.8 -0.973 11.9-160.0-121.7 118.6 14.0 0.3 18.6 78 82 B K E -N 63 0C 146 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.875 18.9-168.0 -99.1 104.9 17.2 -1.7 18.5 79 83 B L E -N 62 0C 8 -17,-3.4 -17,-2.5 -2,-0.8 2,-0.2 -0.814 14.0-135.7-102.0 132.3 19.9 0.6 17.1 80 84 B K E -N 61 0C 148 -2,-0.4 25,-2.8 -19,-0.2 26,-0.8 -0.505 20.9-124.1 -81.7 150.3 23.3 -0.3 16.0 81 85 B I E -O 104 0C 8 -21,-0.6 23,-0.2 -23,-0.4 3,-0.1 -0.853 22.4-176.2-101.1 123.4 26.3 1.7 17.0 82 86 B A E + 0 0 43 21,-2.3 2,-0.3 -2,-0.5 22,-0.2 0.909 69.3 3.8 -82.7 -46.3 28.6 3.1 14.2 83 87 B K E -O 103 0C 103 20,-1.6 20,-2.4 -26,-0.1 2,-0.6 -0.998 58.2-140.8-146.2 146.0 31.3 4.7 16.3 84 88 B V E -O 102 0C 54 -2,-0.3 2,-0.8 18,-0.2 18,-0.2 -0.931 14.3-165.6-108.5 121.1 32.3 5.1 20.0 85 89 B F E -O 101 0C 44 16,-3.5 16,-2.4 -2,-0.6 2,-0.5 -0.806 5.6-172.2-110.2 89.8 33.7 8.5 21.0 86 90 B K E -O 100 0C 135 -2,-0.8 14,-0.2 14,-0.2 12,-0.1 -0.729 36.0-108.3 -82.1 125.0 35.4 8.2 24.4 87 91 B N > - 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