==== 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/PEPTIDE 27-MAR-91 8GCH . COMPND 2 MOLECULE: GAMMA-CHYMOTRYPSIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.HAREL,J.L.SUSSMAN,I.SILMAN . 240 4 5 3 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9933.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 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 . 77 32.1 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 1.2 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 . 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 . 19 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 5.8 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 1 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 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 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 0 107 0, 0.0 116,-0.2 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 163.7 13.8 18.5 23.1 2 2 E G + 0 0 0 114,-2.3 199,-2.5 198,-0.1 115,-0.1 0.413 360.0 106.1 63.6 8.3 13.0 17.7 26.8 3 3 E V - 0 0 98 113,-0.3 197,-0.1 197,-0.2 -1,-0.1 -0.840 60.3-145.3-121.5 97.5 9.2 17.5 26.6 4 4 E P - 0 0 14 0, 0.0 3,-0.1 0, 0.0 109,-0.1 -0.257 9.6-142.5 -58.1 140.6 7.9 14.0 26.8 5 5 E A S S+ 0 0 60 107,-0.7 2,-0.7 1,-0.2 108,-0.1 0.863 102.5 48.7 -67.9 -38.3 4.7 13.3 24.8 6 6 E I S S- 0 0 44 106,-0.6 -1,-0.2 15,-0.4 13,-0.0 -0.932 100.7-130.5-104.5 105.2 3.7 11.1 27.8 7 7 E Q - 0 0 142 -2,-0.7 15,-0.1 -3,-0.1 2,-0.1 -0.437 17.2-125.4 -66.5 127.5 4.2 13.2 30.9 8 8 E P - 0 0 6 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.450 17.1-146.7 -72.2 148.2 6.2 11.5 33.6 9 9 E V 0 0 88 -2,-0.1 10,-0.2 0, 0.0 13,-0.1 -0.992 360.0 360.0-123.7 113.5 4.5 11.3 37.0 10 10 E L 0 0 97 -2,-0.5 123,-0.0 8,-0.1 142,-0.0 -0.436 360.0 360.0 -83.8 360.0 6.9 11.5 40.0 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 F I > 0 0 0 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 126.2 17.9 2.4 41.0 13 17 F V B 3 +A 183 0A 18 170,-3.4 170,-1.5 1,-0.2 128,-0.1 -0.797 360.0 9.3 -90.3 133.0 17.3 1.4 44.7 14 18 F N T 3 S+ 0 0 108 126,-0.5 -1,-0.2 -2,-0.4 126,-0.1 0.704 99.4 130.4 71.8 25.2 14.2 2.8 46.3 15 19 F G < - 0 0 28 -3,-0.6 2,-0.3 168,-0.1 137,-0.2 0.092 50.3-126.7 -85.7-161.4 12.8 4.1 43.0 16 20 F E E -B 151 0B 81 135,-2.2 135,-2.5 -3,-0.1 2,-0.1 -0.976 31.2 -86.4-153.3 153.1 9.4 3.5 41.5 17 21 F E E -B 150 0B 88 -2,-0.3 133,-0.3 133,-0.2 2,-0.2 -0.414 46.6-128.2 -66.7 135.3 8.1 2.3 38.2 18 22 F A - 0 0 2 131,-2.9 131,-0.1 -2,-0.1 3,-0.1 -0.504 27.4 -94.6 -84.0 159.3 7.9 5.0 35.6 19 23 F V > - 0 0 49 -10,-0.2 3,-2.4 -2,-0.2 4,-0.2 -0.557 61.9 -92.8 -67.9 131.8 4.8 5.7 33.5 20 24 F P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.192 106.1 1.8 -54.7 131.5 5.5 3.7 30.3 21 25 F G T 3 S+ 0 0 12 45,-0.2 -15,-0.4 2,-0.1 -16,-0.2 0.525 91.6 121.8 68.5 12.2 7.2 5.8 27.7 22 26 F S S < S+ 0 0 0 -3,-2.4 -1,-0.1 1,-0.2 3,-0.1 0.465 72.7 52.3 -81.1 -7.8 7.4 9.0 29.9 23 27 F W S > S+ 0 0 6 -4,-0.2 3,-1.7 90,-0.1 -1,-0.2 -0.668 71.7 171.7-125.9 67.3 11.3 9.1 29.6 24 28 F P T 3 S+ 0 0 3 0, 0.0 91,-1.0 0, 0.0 41,-0.2 0.578 71.1 55.7 -55.9 -21.2 11.4 8.9 25.8 25 29 F W T 3 S+ 0 0 0 89,-0.2 17,-2.3 91,-0.1 2,-0.3 0.643 80.8 110.0 -87.5 -19.4 15.2 9.6 25.6 26 30 F Q E < +K 41 0C 4 -3,-1.7 39,-0.6 15,-0.2 2,-0.3 -0.445 46.5 175.8 -62.4 119.0 16.0 6.7 27.9 27 31 F V E -KL 40 64C 0 13,-2.6 13,-1.5 -2,-0.3 2,-0.4 -0.829 23.4-133.6-120.9 163.0 17.7 4.0 25.8 28 32 F S E -KL 39 63C 0 35,-2.8 35,-3.0 -2,-0.3 2,-0.6 -0.956 11.1-139.3-118.9 140.1 19.1 0.7 26.9 29 33 F L E -KL 38 62C 0 9,-3.1 8,-2.8 -2,-0.4 9,-1.1 -0.898 27.6-174.1-101.9 119.9 22.6 -0.6 25.8 30 34 F Q E -KL 36 61C 26 31,-2.3 31,-2.7 -2,-0.6 6,-0.2 -0.919 15.4-138.0-118.1 146.0 22.4 -4.4 25.0 31 35 F D > - 0 0 43 4,-1.9 3,-2.1 -2,-0.4 29,-0.1 -0.236 44.5 -84.3 -90.4-177.8 25.1 -6.9 24.1 32 36 F K T 3 S+ 0 0 179 1,-0.3 28,-0.0 2,-0.1 -1,-0.0 0.804 129.4 58.5 -57.9 -32.5 24.9 -9.6 21.5 33 37 F T T 3 S- 0 0 121 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.366 120.6-108.0 -79.4 1.4 23.2 -11.9 24.0 34 38 F G < + 0 0 47 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.528 69.3 151.2 80.9 12.6 20.4 -9.3 24.5 35 39 F F - 0 0 128 1,-0.0 -4,-1.9 2,-0.0 2,-0.6 -0.636 45.3-134.1 -79.0 126.3 21.8 -8.4 28.0 36 40 F H E +K 30 0C 20 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.733 36.9 160.3 -79.6 120.4 21.1 -4.8 29.2 37 41 F F E + 0 0 42 -8,-2.8 2,-0.3 -2,-0.6 150,-0.3 0.521 57.6 8.3-120.7 -12.3 24.4 -3.5 30.6 38 42 F b E -K 29 0C 4 -9,-1.1 -9,-3.1 150,-0.1 -1,-0.3 -0.971 63.8-120.5-162.0 164.4 24.0 0.3 30.6 39 43 F G E -K 28 0C 1 150,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.536 26.5-176.3-103.1 172.8 21.5 3.2 30.0 40 44 F G E -K 27 0C 0 -13,-1.5 -13,-2.6 -2,-0.2 2,-0.4 -0.941 18.2-132.4-159.7 170.8 21.8 6.0 27.4 41 45 F S E -KM 26 49C 1 8,-2.0 8,-2.9 -2,-0.3 2,-0.3 -0.996 18.0-129.7-139.7 124.5 19.9 9.1 26.4 42 46 F L E + M 0 48C 0 -17,-2.3 75,-2.6 -2,-0.4 6,-0.2 -0.596 24.0 176.7 -71.6 135.2 18.9 10.2 22.9 43 47 F I E S- 0 0 20 4,-2.3 2,-0.3 1,-0.5 73,-0.2 0.458 73.6 -14.1-114.7 -14.5 20.0 13.8 22.2 44 48 F N E > S- M 0 47C 49 3,-1.0 3,-0.6 71,-0.1 -1,-0.5 -0.897 88.9 -77.5-171.3 178.9 18.7 13.7 18.6 45 49 F E T 3 S+ 0 0 38 -2,-0.3 63,-3.2 1,-0.2 3,-0.1 0.672 127.1 36.2 -68.7 -16.3 17.7 11.0 16.1 46 50 F N T 3 S+ 0 0 68 61,-0.2 58,-2.4 1,-0.1 2,-0.4 0.415 108.8 62.1-116.6 -1.5 21.2 9.9 15.4 47 51 F W E < -MN 44 103C 12 -3,-0.6 -4,-2.3 56,-0.2 -3,-1.0 -0.997 49.7-167.9-138.3 139.2 23.1 10.2 18.6 48 52 F V E -MN 42 102C 0 54,-2.2 54,-2.9 -2,-0.4 2,-0.4 -0.944 14.7-145.6-121.3 136.4 23.0 8.7 22.1 49 53 F V E +MN 41 101C 1 -8,-2.9 -8,-2.0 -2,-0.4 2,-0.3 -0.853 34.5 148.2-101.8 135.1 24.9 10.0 25.1 50 54 F T E - N 0 100C 0 50,-2.4 50,-2.3 -2,-0.4 2,-0.4 -0.832 48.9 -70.6-150.5-173.2 26.2 7.4 27.6 51 55 F A > - 0 0 0 -12,-0.4 3,-1.5 48,-0.3 5,-0.4 -0.742 29.5-138.2 -94.1 139.3 29.0 6.8 30.0 52 56 F A G > S+ 0 0 3 -2,-0.4 3,-2.0 1,-0.3 4,-0.2 0.870 103.0 61.6 -59.8 -42.2 32.5 6.1 28.7 53 57 F H G 3 S+ 0 0 39 1,-0.3 -1,-0.3 2,-0.1 189,-0.0 0.494 82.3 82.9 -64.4 -5.0 33.1 3.3 31.3 54 58 F b G < S- 0 0 16 -3,-1.5 -1,-0.3 -15,-0.1 -2,-0.2 0.778 90.1-146.8 -70.3 -23.0 30.1 1.5 29.6 55 59 F G < - 0 0 46 -3,-2.0 -2,-0.1 -4,-0.3 -3,-0.1 0.826 22.6-170.2 59.9 39.3 32.7 0.3 27.2 56 60 F V - 0 0 12 -5,-0.4 2,-0.3 -4,-0.2 -1,-0.2 -0.276 5.4-171.1 -63.3 144.3 30.3 0.3 24.3 57 61 F T > - 0 0 67 26,-0.1 3,-2.3 4,-0.0 24,-0.1 -0.876 42.0-102.1-129.9 162.2 31.4 -1.3 21.0 58 62 F T T 3 S+ 0 0 86 -2,-0.3 23,-0.4 1,-0.3 -2,-0.1 0.418 118.9 69.4 -65.5 2.0 29.9 -1.3 17.6 59 63 F S T 3 S+ 0 0 69 21,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.474 87.5 80.2 -95.5 -9.9 28.8 -4.9 18.5 60 64 F D S < S- 0 0 23 -3,-2.3 21,-0.6 -29,-0.1 2,-0.4 -0.510 74.5-136.8 -91.1 165.6 26.3 -3.6 21.0 61 65 F V E -LO 30 80C 33 -31,-2.7 -31,-2.3 -2,-0.2 2,-0.5 -0.955 6.5-130.5-129.0 144.0 22.9 -2.3 20.1 62 66 F V E -LO 29 79C 0 17,-3.1 17,-3.8 -2,-0.4 2,-0.6 -0.846 22.2-159.4 -90.5 129.1 20.9 0.8 21.3 63 67 F V E -LO 28 78C 1 -35,-3.0 -35,-2.8 -2,-0.5 2,-0.3 -0.970 12.6-176.4-114.9 116.1 17.4 -0.2 22.3 64 68 F A E +LO 27 77C 0 13,-2.3 13,-2.2 -2,-0.6 -37,-0.1 -0.792 56.7 28.6-110.1 153.4 14.8 2.7 22.3 65 69 F G S S+ 0 0 13 -39,-0.6 2,-0.2 48,-0.3 10,-0.2 0.555 78.6 141.4 75.7 14.2 11.2 2.8 23.4 66 70 F E + 0 0 18 -40,-0.3 -1,-0.3 -3,-0.2 -45,-0.2 -0.550 19.5 160.4 -85.8 150.9 11.3 0.1 25.9 67 71 F F S S+ 0 0 21 -2,-0.2 82,-1.7 1,-0.2 2,-0.7 0.495 79.2 33.8-126.6 -64.9 9.4 0.1 29.2 68 72 F D B > -Q 148 0D 38 80,-0.2 3,-1.7 1,-0.1 80,-0.3 -0.854 64.3-164.9-103.3 101.2 9.3 -3.6 30.2 69 73 F Q T 3 S+ 0 0 48 78,-3.4 -1,-0.1 -2,-0.7 79,-0.1 0.595 92.5 56.7 -62.2 -8.1 12.5 -5.3 29.1 70 74 F G T 3 S+ 0 0 50 77,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.608 88.1 94.4 -97.6 -17.6 10.6 -8.5 29.7 71 75 F S < - 0 0 39 -3,-1.7 3,-0.1 76,-0.1 -4,-0.1 -0.497 50.8-169.0 -79.1 145.0 7.7 -7.7 27.4 72 76 F S S S+ 0 0 127 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.0 0.276 80.8 70.5-110.5 -0.5 7.7 -8.9 23.7 73 77 F S S S+ 0 0 107 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.257 71.1 105.7-103.6 10.6 4.7 -6.7 22.9 74 78 F E S S- 0 0 50 -6,-0.2 2,-1.4 -3,-0.1 -8,-0.1 -0.626 75.0-121.3 -92.2 151.0 6.3 -3.3 23.0 75 79 F K + 0 0 138 -2,-0.3 2,-0.2 -10,-0.2 -2,-0.1 -0.721 51.9 166.5 -91.3 87.0 7.1 -1.4 19.8 76 80 F I - 0 0 51 -2,-1.4 2,-0.5 2,-0.0 -11,-0.2 -0.537 33.4-135.5 -99.4 166.3 10.8 -1.0 20.4 77 81 F Q E -O 64 0C 23 -13,-2.2 -13,-2.3 -2,-0.2 2,-1.0 -0.961 7.7-160.2-128.2 109.7 13.7 0.0 18.1 78 82 F K E -O 63 0C 148 -2,-0.5 2,-0.5 -15,-0.2 -15,-0.2 -0.829 22.7-164.4 -93.6 104.2 17.0 -2.0 18.1 79 83 F L E -O 62 0C 15 -17,-3.8 -17,-3.1 -2,-1.0 2,-0.1 -0.816 14.2-131.4-101.4 127.5 19.4 0.4 16.6 80 84 F K E -O 61 0C 156 -2,-0.5 25,-2.0 -19,-0.2 2,-0.6 -0.337 21.7-126.4 -70.3 149.7 22.9 -0.5 15.3 81 85 F I E -P 104 0C 7 -21,-0.6 23,-0.3 -23,-0.4 3,-0.1 -0.931 19.9-173.0-105.1 121.1 25.8 1.6 16.4 82 86 F A E - 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