==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEINASE) 05-MAY-94 1GCD . COMPND 2 MOLECULE: GAMMA-CHYMOTRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.HAREL,J.L.SUSSMAN,I.SILMAN . 237 3 5 3 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10436.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 65.4 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 . 75 31.6 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 . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 0.8 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 . 19 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 6.8 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 0 0 0 0 1 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 . 4 2 1 4 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 0 105 0, 0.0 116,-0.2 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 175.6 13.8 18.8 23.3 2 2 A G + 0 0 0 114,-2.4 199,-2.3 198,-0.2 115,-0.1 0.526 360.0 109.2 55.1 17.8 13.1 17.7 26.9 3 3 A V - 0 0 97 113,-0.3 -1,-0.1 197,-0.2 197,-0.1 -0.846 59.3-146.5-122.5 94.2 9.3 17.7 26.9 4 4 A P - 0 0 16 0, 0.0 3,-0.1 0, 0.0 18,-0.1 -0.305 10.1-143.8 -59.1 140.4 7.9 14.2 27.0 5 5 A A S S+ 0 0 63 107,-0.6 2,-0.8 1,-0.2 108,-0.1 0.858 100.2 51.8 -69.4 -38.5 4.7 13.5 25.1 6 6 A I S S- 0 0 41 106,-0.6 -1,-0.2 15,-0.4 13,-0.1 -0.902 101.1-129.3-102.8 103.2 3.7 11.1 28.0 7 7 A Q - 0 0 150 -2,-0.8 15,-0.1 1,-0.1 16,-0.1 -0.326 15.6-124.4 -62.8 121.3 4.2 13.2 31.1 8 8 A P - 0 0 14 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.397 19.8-150.3 -65.2 140.2 6.3 11.6 33.8 9 9 A V 0 0 93 -2,-0.1 10,-0.1 10,-0.0 13,-0.1 -0.981 360.0 360.0-118.5 120.6 4.5 11.4 37.2 10 10 A L 0 0 113 -2,-0.5 8,-0.0 8,-0.1 142,-0.0 -0.793 360.0 360.0 -92.4 360.0 6.8 11.6 40.2 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 A I > 0 0 0 0, 0.0 2,-0.6 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 124.3 17.9 2.5 41.3 13 17 A V B 3 +A 183 0A 20 170,-3.5 170,-1.7 1,-0.2 128,-0.1 -0.889 360.0 7.6 -96.4 121.5 17.4 1.6 44.9 14 18 A N T 3 S+ 0 0 104 -2,-0.6 -1,-0.2 126,-0.4 126,-0.1 0.604 100.6 127.9 87.7 14.0 14.3 3.0 46.6 15 19 A G < - 0 0 21 -3,-0.5 2,-0.3 168,-0.1 137,-0.2 0.115 52.1-120.9 -83.0-161.2 13.0 4.3 43.3 16 20 A E E -B 151 0B 111 135,-2.2 135,-2.3 -3,-0.1 2,-0.2 -0.979 29.4 -90.0-147.4 152.6 9.6 3.8 41.8 17 21 A E E -B 150 0B 89 -2,-0.3 133,-0.2 133,-0.2 132,-0.1 -0.455 46.7-131.9 -67.1 134.3 8.2 2.4 38.6 18 22 A A - 0 0 3 131,-2.8 -8,-0.1 -2,-0.2 -1,-0.1 -0.360 26.1 -95.4 -80.3 164.4 7.9 5.1 36.0 19 23 A V > - 0 0 50 -10,-0.1 3,-1.9 1,-0.1 4,-0.2 -0.734 60.5 -91.3 -78.5 132.2 4.8 5.7 33.8 20 24 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.178 107.0 4.2 -50.3 130.0 5.5 3.8 30.5 21 25 A G T 3 S+ 0 0 13 45,-0.2 -15,-0.4 2,-0.1 -16,-0.2 0.455 91.6 122.0 73.0 7.0 7.2 6.0 27.9 22 26 A S S < S+ 0 0 1 -3,-1.9 3,-0.1 1,-0.2 -1,-0.1 0.474 71.7 49.7 -75.6 -13.1 7.6 9.0 30.2 23 27 A W S > S+ 0 0 6 -4,-0.2 3,-1.5 90,-0.1 -1,-0.2 -0.765 72.9 174.4-127.2 70.2 11.4 9.3 29.9 24 28 A P T 3 S+ 0 0 2 0, 0.0 91,-0.8 0, 0.0 41,-0.2 0.667 71.8 56.2 -56.9 -24.4 11.5 9.1 26.1 25 29 A W T 3 S+ 0 0 0 89,-0.2 17,-1.7 91,-0.1 2,-0.3 0.680 80.5 108.9 -84.4 -17.7 15.2 9.7 25.8 26 30 A Q E < +J 41 0C 6 -3,-1.5 39,-0.5 15,-0.2 40,-0.3 -0.403 46.3 174.0 -67.0 123.7 16.1 6.8 28.1 27 31 A V E -JK 40 64C 0 13,-2.3 13,-1.2 -2,-0.3 2,-0.4 -0.729 25.4-126.4-122.5 171.0 17.7 4.0 26.0 28 32 A S E -JK 39 63C 0 35,-2.3 35,-2.8 -2,-0.2 2,-0.6 -0.985 10.0-141.1-125.9 133.4 19.2 0.7 27.0 29 33 A L E -JK 38 62C 0 9,-4.1 8,-2.4 -2,-0.4 9,-1.3 -0.868 29.5-176.6 -93.4 121.5 22.6 -0.5 26.0 30 34 A Q E -JK 36 61C 24 31,-2.0 31,-2.4 -2,-0.6 6,-0.2 -0.946 19.0-134.8-123.6 141.8 22.5 -4.2 25.3 31 35 A D > - 0 0 51 4,-2.0 3,-2.1 -2,-0.4 29,-0.1 -0.195 47.1 -84.6 -83.2 179.7 25.2 -6.8 24.3 32 36 A K T 3 S+ 0 0 187 1,-0.3 -1,-0.1 2,-0.1 28,-0.1 0.793 130.7 59.8 -51.3 -33.4 24.8 -9.4 21.5 33 37 A T T 3 S- 0 0 122 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.505 118.2-109.6 -73.5 -14.9 23.1 -11.5 24.1 34 38 A G < + 0 0 44 -3,-2.1 2,-0.5 1,-0.3 -2,-0.1 0.456 69.3 148.1 91.6 2.5 20.2 -9.0 24.8 35 39 A F - 0 0 128 1,-0.1 -4,-2.0 2,-0.0 2,-0.5 -0.612 46.5-135.1 -75.2 119.8 21.7 -8.2 28.3 36 40 A H E +J 30 0C 20 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.627 36.8 159.5 -73.5 118.8 21.1 -4.6 29.4 37 41 A F E + 0 0 44 -8,-2.4 2,-0.3 -2,-0.5 150,-0.2 0.549 59.7 12.2-118.7 -18.0 24.4 -3.4 30.9 38 42 A b E -J 29 0C 5 -9,-1.3 -9,-4.1 150,-0.1 -1,-0.4 -0.982 63.1-123.4-161.3 160.3 24.0 0.4 30.7 39 43 A G E -J 28 0C 1 150,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.364 26.0-175.7 -95.0 174.3 21.6 3.3 30.2 40 44 A G E -J 27 0C 0 -13,-1.2 -13,-2.3 -2,-0.1 2,-0.3 -0.932 18.3-132.2-163.8 166.7 21.9 6.1 27.6 41 45 A S E -JL 26 49C 1 8,-2.0 8,-3.7 -2,-0.3 2,-0.2 -0.991 17.4-132.0-135.7 127.4 20.1 9.3 26.5 42 46 A L E + L 0 48C 0 -17,-1.7 75,-2.0 -2,-0.3 6,-0.2 -0.564 21.4 179.1 -72.7 136.6 19.1 10.2 23.0 43 47 A I E S- 0 0 19 4,-2.2 2,-0.3 1,-0.6 73,-0.2 0.422 73.6 -16.9-115.5 -17.0 20.1 13.9 22.2 44 48 A N E > S- L 0 47C 51 3,-1.1 3,-0.7 71,-0.1 -1,-0.6 -0.907 89.3 -75.4-171.1 178.6 18.7 13.7 18.6 45 49 A E T 3 S+ 0 0 73 -2,-0.3 63,-3.4 1,-0.2 3,-0.1 0.617 127.7 36.8 -66.2 -14.8 17.7 10.9 16.2 46 50 A N T 3 S+ 0 0 65 61,-0.2 58,-2.8 1,-0.1 2,-0.4 0.526 108.9 64.5-116.2 -4.7 21.3 10.0 15.4 47 51 A W E < -LM 44 103C 13 -3,-0.7 -4,-2.2 56,-0.2 -3,-1.1 -0.986 49.3-170.3-133.3 139.2 23.2 10.4 18.7 48 52 A V E -LM 42 102C 0 54,-3.0 54,-2.3 -2,-0.4 2,-0.5 -0.937 13.7-148.4-120.7 135.8 23.1 8.8 22.1 49 53 A V E +LM 41 101C 2 -8,-3.7 -8,-2.0 -2,-0.4 2,-0.2 -0.907 32.6 148.0-106.8 135.9 25.0 10.1 25.2 50 54 A T E - M 0 100C 0 50,-2.6 50,-1.7 -2,-0.5 2,-0.3 -0.753 50.6 -70.1-144.9-170.4 26.3 7.5 27.7 51 55 A A > - 0 0 1 -12,-0.4 3,-0.9 48,-0.3 5,-0.3 -0.711 31.3-136.5 -92.4 141.3 29.1 7.0 30.2 52 56 A A G > S+ 0 0 5 -2,-0.3 3,-1.6 1,-0.2 -1,-0.1 0.868 104.5 63.9 -64.5 -32.9 32.6 6.3 28.8 53 57 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.2 2,-0.1 155,-0.0 0.676 80.6 78.8 -66.3 -19.3 33.0 3.5 31.4 54 58 A b G < S- 0 0 15 -3,-0.9 -1,-0.3 1,-0.1 -2,-0.2 0.679 90.5-147.4 -60.4 -21.8 30.1 1.6 29.9 55 59 A G < - 0 0 51 -3,-1.6 -2,-0.1 -4,-0.2 -3,-0.1 0.697 23.6-173.5 54.9 39.4 32.7 0.5 27.3 56 60 A V - 0 0 11 -5,-0.3 2,-0.2 -4,-0.1 -1,-0.2 -0.109 4.7-171.0 -59.7 145.9 30.3 0.3 24.4 57 61 A T > - 0 0 70 26,-0.0 3,-1.2 4,-0.0 24,-0.1 -0.725 42.8 -95.9-128.6 177.1 31.4 -1.1 21.1 58 62 A T T 3 S+ 0 0 86 1,-0.3 23,-0.4 -2,-0.2 -2,-0.1 0.442 121.3 66.0 -75.6 -3.6 29.9 -1.2 17.6 59 63 A S T 3 S+ 0 0 67 21,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.477 88.5 79.8 -94.6 -4.8 28.8 -4.8 18.5 60 64 A D S < S- 0 0 20 -3,-1.2 21,-0.6 -29,-0.1 2,-0.4 -0.566 76.3-134.1 -90.3 166.3 26.4 -3.5 21.2 61 65 A V E -KN 30 80C 43 -31,-2.4 -31,-2.0 -2,-0.2 2,-0.5 -0.942 4.5-131.9-125.5 148.3 23.0 -2.1 20.3 62 66 A V E -KN 29 79C 0 17,-2.6 17,-3.9 -2,-0.4 2,-0.5 -0.830 25.1-159.1 -92.0 125.9 21.1 1.0 21.4 63 67 A V E -KN 28 78C 1 -35,-2.8 -35,-2.3 -2,-0.5 2,-0.3 -0.947 10.0-173.5-113.7 127.3 17.5 0.0 22.4 64 68 A A E +KN 27 77C 1 13,-3.1 13,-3.2 -2,-0.5 -37,-0.1 -0.883 56.4 27.0-117.5 150.8 14.8 2.7 22.4 65 69 A G S S+ 0 0 13 -39,-0.5 2,-0.2 -2,-0.3 10,-0.1 0.552 76.9 137.7 83.6 8.1 11.2 2.7 23.5 66 70 A E + 0 0 23 -40,-0.3 -1,-0.3 -3,-0.2 -45,-0.2 -0.595 18.3 158.5 -87.5 156.0 11.3 0.0 26.2 67 71 A F S S+ 0 0 21 -2,-0.2 82,-1.6 1,-0.1 2,-0.8 0.375 80.4 38.5-130.7 -60.7 9.5 0.2 29.5 68 72 A D B > -P 148 0D 38 80,-0.2 3,-1.5 1,-0.1 80,-0.3 -0.858 64.6-169.5-101.9 104.4 9.3 -3.5 30.3 69 73 A Q T 3 S+ 0 0 47 78,-3.3 -1,-0.1 -2,-0.8 79,-0.1 0.697 89.0 58.5 -66.8 -15.7 12.5 -5.3 29.2 70 74 A G T 3 S+ 0 0 56 -3,-0.1 -1,-0.3 77,-0.1 2,-0.2 0.591 92.2 99.1 -87.1 -10.9 10.8 -8.6 29.9 71 75 A S < - 0 0 39 -3,-1.5 3,-0.2 76,-0.1 -4,-0.0 -0.540 49.5-172.6 -85.5 146.4 8.1 -7.7 27.4 72 76 A S S S+ 0 0 126 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.0 0.352 78.5 73.8-111.0 1.9 7.6 -8.8 23.8 73 77 A S + 0 0 104 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.335 69.3 100.0-103.0 7.4 4.7 -6.4 23.2 74 78 A E S S- 0 0 50 -6,-0.2 2,-1.2 -3,-0.2 -8,-0.1 -0.698 74.7-124.1 -94.4 146.7 6.3 -3.0 23.0 75 79 A K + 0 0 188 -2,-0.3 2,-0.2 -10,-0.1 -2,-0.1 -0.812 51.9 168.1 -87.4 95.9 7.1 -1.2 19.7 76 80 A I - 0 0 52 -2,-1.2 2,-0.5 2,-0.0 -11,-0.2 -0.730 33.7-131.4-110.4 163.8 10.8 -0.8 20.5 77 81 A Q E -N 64 0C 35 -13,-3.2 -13,-3.1 -2,-0.2 2,-0.8 -0.965 10.5-165.9-123.3 113.5 13.8 0.2 18.3 78 82 A K E -N 63 0C 145 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.892 23.0-166.5 -96.1 107.4 17.0 -1.8 18.3 79 83 A L E -N 62 0C 17 -17,-3.9 -17,-2.6 -2,-0.8 2,-0.2 -0.820 17.1-128.6-106.2 137.7 19.5 0.5 16.6 80 84 A K E -N 61 0C 151 -2,-0.4 25,-2.6 -19,-0.2 26,-0.7 -0.558 23.8-126.0 -77.9 148.4 22.9 -0.4 15.3 81 85 A I E -O 104 0C 6 -21,-0.6 23,-0.3 -23,-0.4 3,-0.1 -0.896 16.2-166.8 -99.2 115.6 25.8 1.9 16.4 82 86 A A E S- 0 0 48 21,-2.0 2,-0.3 -2,-0.6 22,-0.2 0.840 70.1 -16.2 -69.5 -38.1 27.9 3.3 13.6 83 87 A K E -O 103 0C 93 20,-1.7 20,-2.2 -26,-0.1 2,-0.5 -0.959 56.0-121.3-173.7 152.0 30.7 4.4 15.9 84 88 A V E -O 102 0C 49 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.871 17.1-167.8 -99.8 123.0 31.8 5.1 19.4 85 89 A F E -O 101 0C 37 16,-3.1 16,-2.5 -2,-0.5 2,-0.4 -0.866 7.6-172.8-113.6 88.4 33.2 8.5 20.4 86 90 A K E -O 100 0C 122 -2,-0.6 14,-0.2 14,-0.2 2,-0.1 -0.690 36.2-109.0 -82.3 127.4 34.8 8.3 23.8 87 91 A N > - 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