==== 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 20-AUG-93 1GMC . COMPND 2 MOLECULE: GAMMA-CHYMOTRYPSIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR N.H.YENNAWAR,H.P.YENNAWAR,S.BANERJEE,G.K.FARBER . 240 4 5 3 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10018.0 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 . 78 32.5 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 . 1 0.4 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 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.4 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 1 0 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 . 6 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 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 99 0, 0.0 116,-0.2 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 162.2 53.4 90.3 73.1 2 2 E G + 0 0 1 114,-2.9 198,-2.9 197,-0.2 115,-0.1 0.531 360.0 100.5 69.6 8.9 52.5 91.1 76.7 3 3 E V - 0 0 91 113,-0.3 -1,-0.1 196,-0.2 113,-0.1 -0.802 63.1-148.2-130.8 91.3 52.6 94.8 76.6 4 4 E P - 0 0 2 0, 0.0 3,-0.2 0, 0.0 18,-0.1 -0.104 15.4-135.7 -52.5 149.2 49.0 96.3 76.4 5 5 E A S S+ 0 0 53 107,-0.7 2,-0.6 16,-0.3 108,-0.1 0.782 106.0 48.4 -77.7 -24.9 48.3 99.5 74.5 6 6 E I S S- 0 0 41 106,-0.5 -1,-0.3 15,-0.4 13,-0.1 -0.941 98.7-136.1-117.1 101.2 46.2 100.6 77.5 7 7 E Q - 0 0 110 -2,-0.6 15,-0.1 -3,-0.2 2,-0.1 -0.234 18.4-108.1 -64.9 144.4 48.3 99.9 80.5 8 8 E P - 0 0 26 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.422 21.1-147.7 -71.0 149.8 46.8 98.2 83.6 9 9 E V 0 0 97 -2,-0.1 10,-0.1 10,-0.0 13,-0.0 -0.974 360.0 360.0-123.1 109.8 46.1 100.1 86.8 10 10 E L 0 0 104 -2,-0.5 8,-0.0 8,-0.1 141,-0.0 -0.837 360.0 360.0 -99.7 360.0 46.6 98.0 89.9 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 1 0, 0.0 3,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 126.2 37.1 86.5 91.0 13 17 F V B 3 +A 182 0A 18 169,-3.7 169,-1.8 1,-0.2 128,-0.1 -0.736 360.0 2.7 -86.9 132.4 36.2 86.9 94.7 14 18 F N T 3 S+ 0 0 105 126,-0.7 -1,-0.2 -2,-0.4 2,-0.1 0.728 99.9 132.5 65.6 25.6 37.5 90.2 96.2 15 19 F G < - 0 0 25 -3,-0.7 2,-0.3 167,-0.1 136,-0.2 -0.147 47.5-130.8 -88.3-167.3 38.9 91.4 92.8 16 20 F E E -B 150 0B 92 134,-2.9 134,-2.5 -3,-0.1 2,-0.2 -0.904 29.0 -81.6-142.1 168.4 38.3 94.8 91.4 17 21 F E E -B 149 0B 111 -2,-0.3 132,-0.2 132,-0.2 2,-0.1 -0.541 45.9-133.7 -76.3 137.2 37.2 96.2 88.1 18 22 F A - 0 0 5 130,-2.5 -1,-0.1 -2,-0.2 -8,-0.1 -0.417 26.3 -96.0 -86.0 163.1 39.9 96.5 85.4 19 23 F V > - 0 0 50 -10,-0.1 3,-1.7 -2,-0.1 4,-0.2 -0.590 58.1 -95.0 -73.9 137.1 40.6 99.5 83.2 20 24 F P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.391 104.9 4.5 -61.1 129.1 38.7 98.8 79.9 21 25 F G T 3 S+ 0 0 19 45,-0.1 -15,-0.4 2,-0.1 -16,-0.3 0.406 92.5 119.5 79.4 2.4 40.9 97.2 77.3 22 26 F S S < S+ 0 0 0 -3,-1.7 -1,-0.1 1,-0.3 3,-0.1 0.517 73.9 48.5 -77.7 -8.1 44.0 96.8 79.6 23 27 F W S > S+ 0 0 6 -4,-0.2 3,-1.7 90,-0.1 -1,-0.3 -0.614 72.6 174.4-129.3 70.4 44.1 93.0 79.3 24 28 F P T 3 S+ 0 0 3 0, 0.0 91,-0.8 0, 0.0 41,-0.3 0.615 71.3 56.0 -53.8 -26.3 43.9 92.8 75.5 25 29 F W T 3 S+ 0 0 0 89,-0.2 17,-2.0 91,-0.1 2,-0.2 0.623 77.4 110.2 -84.1 -17.6 44.4 89.0 75.3 26 30 F Q E < -K 41 0C 6 -3,-1.7 39,-0.5 15,-0.2 40,-0.3 -0.456 48.1-178.9 -62.9 119.4 41.6 88.1 77.6 27 31 F V E -K 40 0C 1 13,-2.5 13,-1.5 -2,-0.2 2,-0.5 -0.794 21.7-131.7-115.7 164.3 38.8 86.4 75.6 28 32 F S E -KL 39 63C 0 35,-2.4 35,-3.1 -2,-0.3 2,-0.6 -0.981 9.5-148.0-120.0 123.7 35.4 85.1 76.6 29 33 F L E +KL 38 62C 0 9,-3.1 8,-2.0 -2,-0.5 9,-1.3 -0.855 25.9 178.0 -90.4 121.8 34.2 81.7 75.6 30 34 F Q E -KL 36 61C 26 31,-2.8 31,-3.1 -2,-0.6 6,-0.2 -0.959 24.7-129.0-123.7 146.6 30.4 81.8 75.1 31 35 F D > - 0 0 46 4,-1.8 3,-2.4 -2,-0.3 29,-0.1 -0.343 44.8 -88.5 -82.1 178.9 28.1 79.0 74.0 32 36 F K T 3 S+ 0 0 168 1,-0.3 -1,-0.1 2,-0.1 28,-0.1 0.617 127.3 66.0 -64.5 -13.9 25.5 79.6 71.1 33 37 F T T 3 S- 0 0 115 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.611 118.3-111.7 -77.3 -21.7 23.1 80.9 73.7 34 38 F G < + 0 0 40 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.372 69.5 145.8 100.5 -0.5 25.4 83.8 74.5 35 39 F F - 0 0 122 1,-0.1 -4,-1.8 2,-0.0 2,-0.6 -0.516 49.7-131.6 -73.7 128.6 26.3 82.5 77.9 36 40 F H E +K 30 0C 12 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.715 39.5 158.0 -79.1 119.8 29.8 83.1 79.2 37 41 F F E + 0 0 44 -8,-2.0 2,-0.3 -2,-0.6 149,-0.2 0.658 59.3 5.4-117.6 -17.9 31.1 79.7 80.5 38 42 F b E -K 29 0C 6 -9,-1.3 -9,-3.1 149,-0.1 -1,-0.3 -0.984 61.9-130.1-161.9 153.4 34.9 80.0 80.4 39 43 F G E +K 28 0C 1 149,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.477 24.1 180.0 -99.8 179.4 37.7 82.5 79.8 40 44 F G E -K 27 0C 0 -13,-1.5 -13,-2.5 -2,-0.2 2,-0.4 -0.951 22.5-118.8-165.6 174.3 40.8 82.2 77.5 41 45 F S E -KM 26 49C 2 8,-2.3 8,-2.8 -2,-0.3 2,-0.4 -0.995 20.3-128.8-131.1 129.9 43.9 84.1 76.3 42 46 F L E + M 0 48C 0 -17,-2.0 75,-2.1 -2,-0.4 6,-0.3 -0.636 22.5 180.0 -73.4 125.0 44.9 85.1 72.7 43 47 F I E S- 0 0 17 4,-3.1 2,-0.3 1,-0.4 5,-0.2 0.495 70.7 -20.8-102.4 -6.4 48.4 83.9 72.0 44 48 F N E > S- M 0 47C 49 3,-1.1 3,-1.1 71,-0.1 -1,-0.4 -0.927 88.4 -70.2 179.8 176.8 48.4 85.2 68.4 45 49 F E T 3 S+ 0 0 95 -2,-0.3 63,-2.9 1,-0.2 3,-0.1 0.653 129.9 32.2 -59.9 -17.4 45.8 86.3 65.7 46 50 F N T 3 S+ 0 0 50 61,-0.2 58,-2.0 1,-0.1 2,-0.4 0.343 111.1 63.2-121.7 3.1 44.7 82.7 65.1 47 51 F W E < -MN 44 103C 11 -3,-1.1 -4,-3.1 56,-0.2 -3,-1.1 -0.978 46.9-178.0-142.3 133.4 45.1 80.9 68.4 48 52 F V E -MN 42 102C 0 54,-1.8 54,-2.7 -2,-0.4 2,-0.4 -0.895 18.3-144.1-121.5 146.0 43.5 81.2 71.9 49 53 F V E +MN 41 101C 2 -8,-2.8 -8,-2.3 -2,-0.3 2,-0.2 -0.956 29.7 150.9-114.5 136.2 44.5 79.1 74.9 50 54 F T E - N 0 100C 0 50,-2.6 50,-2.2 -2,-0.4 2,-0.3 -0.691 47.2 -64.2-144.5-169.6 42.0 77.9 77.5 51 55 F A > - 0 0 1 -12,-0.4 3,-1.4 48,-0.2 5,-0.3 -0.705 31.6-137.2 -88.5 142.2 41.4 75.0 80.0 52 56 F A G > S+ 0 0 6 -2,-0.3 3,-1.4 1,-0.3 4,-0.1 0.882 102.5 62.0 -64.6 -34.1 40.8 71.5 78.7 53 57 F H G 3 S+ 0 0 44 1,-0.3 -1,-0.3 2,-0.1 189,-0.1 0.478 80.9 81.7 -74.0 -2.4 38.0 71.0 81.2 54 58 F b G < S- 0 0 18 -3,-1.4 -1,-0.3 -15,-0.1 -2,-0.2 0.794 89.0-143.2 -71.7 -25.2 35.9 73.9 79.7 55 59 F G < - 0 0 52 -3,-1.4 -2,-0.1 -4,-0.3 -3,-0.1 0.836 24.6-172.0 66.6 35.1 34.8 71.4 77.0 56 60 F V - 0 0 12 -5,-0.3 2,-0.2 -4,-0.1 -1,-0.2 -0.266 2.8-172.5 -61.8 138.8 34.8 73.9 74.2 57 61 F T > - 0 0 70 26,-0.0 3,-1.3 4,-0.0 24,-0.1 -0.752 40.0 -96.9-122.4 176.8 33.3 72.6 70.9 58 62 F T T 3 S+ 0 0 89 1,-0.3 23,-0.4 -2,-0.2 -2,-0.1 0.494 118.9 63.7 -78.2 -5.5 33.2 74.2 67.5 59 63 F S T 3 S+ 0 0 59 21,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.474 86.8 93.1 -93.8 -2.6 29.7 75.6 68.0 60 64 F D S < S- 0 0 15 -3,-1.3 21,-0.6 -29,-0.1 2,-0.3 -0.530 71.3-133.8 -84.1 158.1 31.0 77.8 70.8 61 65 F V E -LO 30 80C 37 -31,-3.1 -31,-2.8 -2,-0.2 2,-0.6 -0.873 1.7-141.8-120.0 146.4 32.2 81.3 70.1 62 66 F V E -LO 29 79C 0 17,-2.4 17,-2.8 -2,-0.3 2,-0.5 -0.932 16.9-160.0-106.7 117.6 35.3 83.3 71.2 63 67 F V E -LO 28 78C 1 -35,-3.1 -35,-2.4 -2,-0.6 2,-0.3 -0.875 11.3-176.0-102.9 128.2 34.6 87.0 72.0 64 68 F A E + O 0 77C 1 13,-2.1 13,-2.3 -2,-0.5 -37,-0.1 -0.834 60.4 29.2-118.9 157.6 37.6 89.4 72.0 65 69 F G S S+ 0 0 18 -39,-0.5 2,-0.3 48,-0.4 -1,-0.1 0.700 84.9 140.6 65.5 22.8 37.9 93.1 72.9 66 70 F E + 0 0 21 -40,-0.3 -1,-0.2 -3,-0.2 -45,-0.1 -0.752 20.4 156.3-101.8 139.6 35.1 92.8 75.4 67 71 F F S S+ 0 0 24 -2,-0.3 81,-1.8 1,-0.3 2,-0.6 0.619 72.2 38.7-121.2 -47.3 34.9 94.6 78.8 68 72 F D B > -Q 147 0D 45 79,-0.2 3,-1.3 1,-0.1 -1,-0.3 -0.936 60.3-162.9-112.5 113.5 31.3 94.9 79.7 69 73 F Q T 3 S+ 0 0 52 77,-3.5 78,-0.1 -2,-0.6 -1,-0.1 0.588 92.4 58.1 -68.5 -13.2 29.2 91.8 78.8 70 74 F G T 3 S+ 0 0 52 76,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.544 86.1 96.3 -92.6 -9.8 26.1 94.0 79.3 71 75 F S < - 0 0 34 -3,-1.3 3,-0.2 75,-0.2 -4,-0.1 -0.647 46.0-175.2 -85.6 138.3 27.1 96.6 76.7 72 76 F S S S+ 0 0 126 -2,-0.3 -1,-0.1 1,-0.1 -3,-0.0 0.434 80.0 67.0-106.4 -2.6 25.8 96.5 73.1 73 77 F S S S+ 0 0 105 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.146 71.5 108.9-104.6 14.8 27.9 99.4 72.0 74 78 F E S S- 0 0 51 -3,-0.2 2,-1.5 -6,-0.1 -8,-0.1 -0.720 73.5-124.2 -91.4 144.9 31.4 97.8 72.3 75 79 F K + 0 0 138 -2,-0.3 2,-0.2 -10,-0.1 -2,-0.1 -0.695 50.0 169.8 -85.6 82.7 33.3 97.0 69.1 76 80 F I - 0 0 49 -2,-1.5 2,-0.6 -13,-0.0 -11,-0.2 -0.626 32.9-129.0 -98.0 159.3 33.8 93.3 69.9 77 81 F Q E -O 64 0C 38 -13,-2.3 -13,-2.1 -2,-0.2 2,-0.9 -0.943 12.3-161.7-111.3 116.6 35.1 90.5 67.8 78 82 F K E -O 63 0C 144 -2,-0.6 2,-0.4 -15,-0.2 -15,-0.2 -0.828 19.9-170.9 -98.2 100.1 33.0 87.3 67.6 79 83 F L E -O 62 0C 6 -17,-2.8 -17,-2.4 -2,-0.9 2,-0.2 -0.717 14.9-133.8 -98.9 138.0 35.4 84.7 66.3 80 84 F K E -O 61 0C 129 -2,-0.4 25,-2.7 -19,-0.2 26,-0.9 -0.599 18.7-122.2 -89.2 149.6 34.5 81.1 65.1 81 85 F I E -P 104 0C 9 -21,-0.6 23,-0.3 -23,-0.4 3,-0.1 -0.770 21.4-175.5 -94.0 123.4 36.5 78.0 66.2 82 86 F A E S- 0 0 53 21,-3.0 2,-0.3 -2,-0.5 22,-0.2 0.943 71.1 -4.8 -80.5 -49.4 37.9 75.9 63.3 83 87 F K E -P 103 0C 104 20,-1.3 20,-2.5 -26,-0.1 2,-0.4 -0.998 59.7-136.4-150.8 143.5 39.3 73.1 65.5 84 88 F V E -P 102 0C 37 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.862 14.9-162.2-102.7 130.7 39.7 72.2 69.2 85 89 F F E -P 101 0C 26 16,-3.2 16,-2.8 -2,-0.4 2,-0.4 -0.877 5.6-165.4-118.4 98.9 43.1 70.7 70.3 86 90 F K E -P 100 0C 141 -2,-0.6 14,-0.2 14,-0.2 2,-0.1 -0.689 35.0-104.6 -86.6 126.8 42.8 69.0 73.7 87 91 F N > - 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