==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/PEPTIDE 04-SEP-90 3GCT . COMPND 2 MOLECULE: GAMMA-CHYMOTRYPSIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.M.DIXON,B.W.MATTHEWS . 240 4 5 3 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10272.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 67.1 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 . 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 . 25 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.2 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 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 0 101 0, 0.0 116,-0.2 0, 0.0 42,-0.0 0.000 360.0 360.0 360.0 163.0 14.0 18.5 24.1 2 2 E G + 0 0 1 114,-2.7 198,-3.7 197,-0.2 115,-0.1 0.520 360.0 103.7 69.8 13.5 13.2 17.8 27.8 3 3 E V - 0 0 106 113,-0.3 -1,-0.1 196,-0.2 113,-0.1 -0.847 61.5-152.5-130.5 83.7 9.5 17.9 27.3 4 4 E P - 0 0 11 0, 0.0 109,-0.1 0, 0.0 108,-0.1 -0.370 16.9-138.6 -66.6 141.9 8.1 14.3 27.4 5 5 E A S S+ 0 0 61 107,-0.8 2,-0.6 106,-0.2 108,-0.1 0.810 100.6 50.0 -63.8 -32.4 4.8 13.6 25.5 6 6 E I S S- 0 0 51 106,-0.6 -1,-0.1 15,-0.5 13,-0.1 -0.932 97.5-126.1-112.4 116.4 3.8 11.4 28.6 7 7 E Q - 0 0 155 -2,-0.6 15,-0.1 1,-0.1 16,-0.1 -0.448 17.3-123.4 -68.5 130.6 4.2 13.3 31.7 8 8 E P - 0 0 22 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.368 18.2-144.4 -66.4 151.3 6.3 11.8 34.5 9 9 E V 0 0 98 1,-0.1 10,-0.2 -2,-0.1 13,-0.0 -0.982 360.0 360.0-123.3 115.7 4.6 11.4 37.8 10 10 E L 0 0 94 -2,-0.5 142,-0.2 8,-0.1 -1,-0.1 0.672 360.0 360.0 -96.3 360.0 6.9 12.0 40.9 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 0 0, 0.0 3,-0.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 126.2 18.0 2.5 42.0 13 17 F V B 3 +A 182 0A 18 169,-3.4 169,-1.4 1,-0.2 128,-0.1 -0.715 360.0 0.1 -86.6 127.1 17.6 1.6 45.6 14 18 F N T 3 S+ 0 0 106 126,-0.8 -1,-0.2 -2,-0.5 2,-0.1 0.808 98.6 131.5 64.6 35.9 14.3 2.8 47.0 15 19 F G < - 0 0 27 -3,-0.8 2,-0.3 167,-0.1 136,-0.2 -0.040 50.2-123.4 -91.5-154.9 13.1 4.3 43.8 16 20 F E E -B 150 0B 89 134,-2.2 134,-2.5 -2,-0.1 2,-0.1 -0.953 29.7 -86.2-148.8 159.8 9.6 3.7 42.3 17 21 F E E -B 149 0B 100 -2,-0.3 132,-0.2 132,-0.2 2,-0.2 -0.484 46.7-129.7 -69.6 141.5 8.4 2.5 39.0 18 22 F A - 0 0 4 130,-2.3 -1,-0.1 -2,-0.1 130,-0.1 -0.482 26.5 -96.4 -87.6 162.4 8.1 5.2 36.4 19 23 F V > - 0 0 48 -10,-0.2 3,-2.1 -2,-0.2 4,-0.2 -0.654 59.3 -96.5 -73.8 133.0 5.0 5.9 34.3 20 24 F P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.276 105.6 8.0 -57.8 130.9 5.8 4.0 31.0 21 25 F G T 3 S+ 0 0 16 45,-0.2 -15,-0.5 2,-0.1 -16,-0.2 0.405 93.4 118.6 80.8 0.0 7.2 6.2 28.4 22 26 F S S < S+ 0 0 0 -3,-2.1 3,-0.1 1,-0.3 -1,-0.1 0.574 75.5 43.9 -77.4 -9.7 7.6 9.2 30.7 23 27 F W S > S+ 0 0 6 -4,-0.2 3,-1.8 90,-0.1 -1,-0.3 -0.683 73.1 171.4-129.1 73.0 11.4 9.5 30.5 24 28 F P T 3 + 0 0 4 0, 0.0 91,-1.3 0, 0.0 41,-0.2 0.584 67.2 61.5 -67.1 -13.2 11.7 9.1 26.8 25 29 F W T 3 S+ 0 0 0 89,-0.2 17,-2.0 91,-0.1 2,-0.4 0.531 79.4 107.8 -85.8 -10.8 15.4 9.9 26.4 26 30 F Q E < -K 41 0C 7 -3,-1.8 39,-0.5 15,-0.2 2,-0.2 -0.543 48.2-178.6 -76.0 125.1 16.3 6.9 28.6 27 31 F V E -KL 40 64C 0 13,-2.2 13,-1.1 -2,-0.4 2,-0.5 -0.745 23.3-129.4-114.9 162.0 17.9 4.1 26.7 28 32 F S E -KL 39 63C 0 35,-2.4 35,-3.0 -2,-0.2 2,-0.6 -0.969 13.0-147.4-112.9 128.0 19.2 0.7 27.8 29 33 F L E +KL 38 62C 0 9,-3.0 8,-2.9 -2,-0.5 9,-1.2 -0.863 29.2 175.8 -93.9 117.4 22.7 -0.4 26.7 30 34 F Q E -KL 36 61C 21 31,-2.9 31,-3.0 -2,-0.6 6,-0.2 -0.959 27.8-123.8-124.6 151.0 22.6 -4.2 26.2 31 35 F D > - 0 0 46 4,-2.0 3,-1.8 -2,-0.4 29,-0.1 -0.131 47.4 -86.6 -79.8-176.1 25.1 -6.7 25.0 32 36 F K T 3 S+ 0 0 171 1,-0.3 -1,-0.1 2,-0.1 28,-0.1 0.807 129.6 58.6 -65.4 -25.3 24.4 -9.0 22.1 33 37 F T T 3 S- 0 0 114 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.454 121.0-107.1 -79.8 -4.5 22.8 -11.5 24.4 34 38 F G < + 0 0 41 -3,-1.8 2,-0.6 1,-0.3 -2,-0.1 0.541 67.6 150.3 91.4 12.9 20.2 -8.8 25.6 35 39 F F - 0 0 125 1,-0.1 -4,-2.0 2,-0.0 2,-0.4 -0.716 45.4-132.3 -83.8 122.8 21.7 -8.3 28.9 36 40 F H E +K 30 0C 6 -2,-0.6 -6,-0.2 -6,-0.2 3,-0.1 -0.484 38.5 158.3 -70.2 118.5 21.2 -4.7 30.3 37 41 F F E + 0 0 42 -8,-2.9 2,-0.3 -2,-0.4 149,-0.3 0.639 60.2 0.6-118.8 -19.6 24.6 -3.4 31.6 38 42 F b E -K 29 0C 5 -9,-1.2 -9,-3.0 149,-0.1 -1,-0.4 -0.991 61.7-123.7-159.0 165.4 24.2 0.5 31.6 39 43 F G E +K 28 0C 1 149,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.526 25.3 179.4-105.5 179.7 21.8 3.3 30.8 40 44 F G E -K 27 0C 0 -13,-1.1 -13,-2.2 -2,-0.2 2,-0.4 -0.922 21.3-121.3-166.0 174.0 22.2 6.3 28.4 41 45 F S E -KM 26 49C 1 8,-2.3 8,-2.4 -2,-0.3 2,-0.3 -0.998 17.7-127.9-133.5 134.6 20.3 9.3 27.2 42 46 F L E + M 0 48C 0 -17,-2.0 75,-2.5 -2,-0.4 6,-0.2 -0.549 24.3 176.8 -73.6 131.7 19.3 10.3 23.7 43 47 F I E S- 0 0 15 4,-2.2 2,-0.3 1,-0.4 -1,-0.2 0.489 72.8 -16.0-111.5 -9.2 20.5 13.8 23.0 44 48 F N E > S- M 0 47C 42 3,-1.1 3,-0.6 71,-0.1 -1,-0.4 -0.924 88.3 -74.8-173.6-177.0 19.2 13.7 19.4 45 49 F E T 3 S+ 0 0 85 -2,-0.3 63,-3.4 1,-0.2 3,-0.1 0.731 126.5 33.5 -69.5 -19.4 18.2 11.1 16.9 46 50 F N T 3 S+ 0 0 66 61,-0.2 58,-2.5 1,-0.1 2,-0.4 0.341 109.5 60.9-115.4 1.7 21.7 10.0 16.2 47 51 F W E < -MN 44 103C 13 -3,-0.6 -4,-2.2 56,-0.2 -3,-1.1 -0.999 49.3-167.8-141.1 142.5 23.6 10.2 19.4 48 52 F V E -MN 42 102C 0 54,-2.1 54,-3.0 -2,-0.4 2,-0.4 -0.951 13.3-146.9-123.8 139.1 23.5 8.8 22.9 49 53 F V E +MN 41 101C 2 -8,-2.4 -8,-2.3 -2,-0.3 2,-0.2 -0.891 32.6 149.0-107.5 137.3 25.5 10.0 25.9 50 54 F T E - N 0 100C 0 50,-2.6 50,-2.5 -2,-0.4 2,-0.3 -0.809 49.2 -69.7-150.0-175.9 26.5 7.4 28.5 51 55 F A > - 0 0 0 -12,-0.4 3,-1.2 48,-0.3 5,-0.3 -0.655 30.1-134.1 -87.7 145.7 29.5 6.9 30.9 52 56 F A G > S+ 0 0 6 -2,-0.3 3,-1.7 1,-0.3 4,-0.1 0.888 105.5 61.5 -64.8 -37.7 33.0 6.2 29.7 53 57 F H G 3 S+ 0 0 45 1,-0.3 -1,-0.3 2,-0.1 135,-0.0 0.592 80.8 82.3 -68.6 -9.7 33.3 3.4 32.3 54 58 F b G < S- 0 0 14 -3,-1.2 -1,-0.3 -15,-0.1 -2,-0.2 0.689 89.8-144.9 -60.8 -25.3 30.4 1.5 30.7 55 59 F G < - 0 0 53 -3,-1.7 -2,-0.1 -4,-0.2 -3,-0.1 0.857 23.4-169.3 63.4 38.4 33.0 0.2 28.2 56 60 F V - 0 0 15 -5,-0.3 2,-0.3 -4,-0.1 -1,-0.1 -0.233 6.3-170.6 -60.7 141.8 30.6 0.2 25.2 57 61 F T > - 0 0 69 26,-0.0 3,-1.8 4,-0.0 24,-0.1 -0.859 40.2-104.1-125.0 167.4 31.7 -1.5 22.0 58 62 F T T 3 S+ 0 0 81 -2,-0.3 23,-0.4 1,-0.3 -2,-0.0 0.520 117.4 68.2 -75.1 1.7 30.1 -1.4 18.5 59 63 F S T 3 S+ 0 0 72 21,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.461 86.7 90.3 -86.9 -13.1 28.8 -5.1 19.2 60 64 F D S < S- 0 0 21 -3,-1.8 21,-0.7 -29,-0.1 2,-0.4 -0.503 73.8-130.6 -85.3 163.9 26.5 -3.6 21.9 61 65 F V E -LO 30 80C 31 -31,-3.0 -31,-2.9 -2,-0.2 2,-0.6 -0.937 0.2-140.5-121.1 137.9 22.9 -2.5 21.2 62 66 F V E -LO 29 79C 0 17,-2.8 17,-3.9 -2,-0.4 2,-0.6 -0.840 19.4-162.6 -95.0 120.4 21.1 0.7 22.1 63 67 F V E -LO 28 78C 1 -35,-3.0 -35,-2.4 -2,-0.6 2,-0.3 -0.902 11.1-179.3-111.3 115.9 17.5 -0.1 23.1 64 68 F A E +LO 27 77C 1 13,-2.8 13,-2.8 -2,-0.6 -37,-0.1 -0.830 60.3 30.9-109.6 151.0 15.2 2.9 23.0 65 69 F G S S+ 0 0 18 -39,-0.5 2,-0.2 -2,-0.3 10,-0.2 0.520 82.6 136.9 87.1 -3.5 11.5 3.0 23.9 66 70 F E + 0 0 22 -40,-0.2 -1,-0.3 -3,-0.2 -45,-0.2 -0.473 18.7 157.5 -80.4 148.0 11.6 0.2 26.5 67 71 F F S S+ 0 0 19 1,-0.3 81,-1.8 -2,-0.2 2,-0.7 0.534 73.8 36.5-128.2 -51.7 9.9 0.2 29.9 68 72 F D B > -Q 147 0D 25 79,-0.2 3,-1.4 1,-0.1 -1,-0.3 -0.941 62.3-163.0-117.8 108.2 9.6 -3.4 30.9 69 73 F Q T 3 S+ 0 0 42 77,-3.2 -1,-0.1 -2,-0.7 78,-0.1 0.627 88.0 60.7 -63.9 -19.6 12.5 -5.3 29.9 70 74 F G T 3 S+ 0 0 60 76,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.477 86.0 98.6 -86.6 -4.2 10.5 -8.6 30.4 71 75 F S < - 0 0 38 -3,-1.4 3,-0.2 75,-0.1 -4,-0.1 -0.707 47.7-172.2 -92.7 134.7 7.8 -7.7 27.7 72 76 F S S S+ 0 0 125 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.342 83.4 63.7-101.0 -0.8 7.8 -9.0 24.1 73 77 F S S S+ 0 0 104 2,-0.1 2,-0.2 0, 0.0 -1,-0.2 0.464 71.5 104.6-108.2 0.8 5.0 -6.8 23.1 74 78 F E S S- 0 0 54 -6,-0.2 2,-1.3 -3,-0.2 -8,-0.1 -0.552 74.7-124.7 -77.5 146.8 6.5 -3.3 23.6 75 79 F K + 0 0 208 -2,-0.2 2,-0.1 -10,-0.2 -1,-0.1 -0.702 48.0 169.3 -89.5 82.5 7.5 -1.5 20.3 76 80 F I - 0 0 59 -2,-1.3 2,-0.5 -13,-0.0 -11,-0.2 -0.524 33.3-127.6 -91.2 169.5 11.1 -0.9 21.3 77 81 F Q E -O 64 0C 40 -13,-2.8 -13,-2.8 -2,-0.1 2,-0.7 -0.978 15.1-161.1-120.2 116.4 13.8 0.3 18.9 78 82 F K E -O 63 0C 146 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.856 20.2-170.1 -97.1 112.8 17.1 -1.8 18.8 79 83 F L E -O 62 0C 8 -17,-3.9 -17,-2.8 -2,-0.7 2,-0.2 -0.878 16.3-130.9-117.5 141.7 19.7 0.4 17.4 80 84 F K E -O 61 0C 147 -2,-0.4 25,-3.2 -19,-0.2 26,-1.0 -0.560 19.8-124.2 -86.6 149.1 23.2 -0.3 16.3 81 85 F I E -P 104 0C 9 -21,-0.7 23,-0.2 -23,-0.4 3,-0.1 -0.787 20.5-176.2 -95.8 123.7 26.2 1.6 17.2 82 86 F A E S- 0 0 54 21,-2.8 2,-0.3 -2,-0.5 22,-0.2 0.916 70.2 -3.2 -81.5 -48.7 28.4 3.1 14.5 83 87 F K E -P 103 0C 108 20,-1.4 20,-2.2 -26,-0.1 2,-0.5 -0.994 57.2-138.9-151.9 145.5 31.2 4.6 16.6 84 88 F V E -P 102 0C 48 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.948 14.2-164.5-106.0 131.1 32.1 5.0 20.3 85 89 F F E -P 101 0C 30 16,-3.2 16,-2.9 -2,-0.5 2,-0.5 -0.895 4.2-170.8-120.4 97.1 33.7 8.4 21.3 86 90 F K E -P 100 0C 137 -2,-0.6 14,-0.2 14,-0.2 2,-0.1 -0.785 34.9-111.3 -86.7 126.2 35.3 8.1 24.6 87 91 F N > - 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