==== 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 06-APR-94 1GHA . COMPND 2 MOLECULE: GAMMA-CHYMOTRYPSIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR H.P.YENNAWAR,N.H.YENNAWAR,G.K.FARBER . 240 4 5 3 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 65.0 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 . 75 31.2 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 . 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 . 23 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.6 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 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 . 5 3 0 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 0 100 0, 0.0 116,-0.3 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 168.7 53.3 90.4 72.7 2 2 E G + 0 0 1 114,-2.2 198,-2.7 197,-0.2 115,-0.1 0.411 360.0 98.1 65.7 -0.3 52.7 91.1 76.3 3 3 E V - 0 0 93 113,-0.3 -1,-0.1 196,-0.2 113,-0.1 -0.869 63.7-148.5-125.4 94.5 52.6 94.9 76.1 4 4 E P - 0 0 2 0, 0.0 108,-0.1 0, 0.0 109,-0.1 -0.319 15.8-137.8 -59.5 139.1 49.1 96.4 75.9 5 5 E A S S+ 0 0 54 107,-0.3 2,-0.7 106,-0.2 108,-0.1 0.848 103.9 50.6 -64.5 -32.4 48.3 99.6 74.0 6 6 E I S S- 0 0 46 15,-0.5 -1,-0.2 106,-0.5 13,-0.1 -0.937 97.8-133.5-107.0 110.5 46.1 100.6 77.0 7 7 E Q - 0 0 134 -2,-0.7 15,-0.1 1,-0.1 16,-0.1 -0.457 17.5-122.2 -71.1 131.0 48.2 100.1 80.1 8 8 E P - 0 0 26 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.406 18.5-147.7 -72.5 150.7 46.5 98.2 83.0 9 9 E V 0 0 97 -2,-0.1 10,-0.1 0, 0.0 13,-0.0 -0.986 360.0 360.0-123.1 122.9 46.2 99.9 86.5 10 10 E L 0 0 107 -2,-0.4 8,-0.1 8,-0.1 141,-0.0 -0.839 360.0 360.0-107.0 360.0 46.3 97.8 89.7 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,-1.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 110.2 37.4 86.5 90.5 13 17 F V B 3 +A 182 0A 25 169,-3.2 169,-1.9 1,-0.2 128,-0.1 -0.625 360.0 8.8 -73.1 127.4 36.1 86.8 94.1 14 18 F N T 3 S+ 0 0 108 126,-0.7 -1,-0.2 -2,-0.4 2,-0.1 0.822 99.1 129.4 73.0 35.4 37.4 90.0 95.7 15 19 F G < - 0 0 23 -3,-1.0 2,-0.3 167,-0.1 136,-0.2 -0.261 50.9-118.3-103.1-166.1 38.8 91.6 92.5 16 20 F E E -B 150 0B 81 134,-2.4 134,-2.3 -2,-0.1 2,-0.1 -0.862 31.8 -90.7-130.6 168.7 38.4 95.0 91.0 17 21 F E E -B 149 0B 95 -2,-0.3 132,-0.2 132,-0.2 2,-0.2 -0.496 48.1-129.0 -77.5 145.3 37.1 96.2 87.7 18 22 F A - 0 0 6 130,-2.1 -1,-0.1 -2,-0.1 -8,-0.1 -0.528 24.7 -93.5 -93.4 165.0 39.8 96.5 85.0 19 23 F V > - 0 0 49 -2,-0.2 3,-2.3 -10,-0.1 4,-0.3 -0.687 57.3-101.5 -78.3 127.2 40.7 99.4 82.8 20 24 F P T 3 S+ 0 0 74 0, 0.0 47,-0.1 0, 0.0 -1,-0.1 -0.379 105.7 7.1 -52.5 117.3 38.7 98.8 79.5 21 25 F G T 3 S+ 0 0 19 45,-0.2 -15,-0.5 -2,-0.2 -16,-0.2 0.364 93.3 119.0 88.7 -3.8 41.1 97.3 76.9 22 26 F S S < S+ 0 0 0 -3,-2.3 91,-0.0 1,-0.3 -1,-0.0 0.697 76.1 45.8 -66.9 -25.5 44.0 97.0 79.4 23 27 F W S > S+ 0 0 9 -4,-0.3 3,-1.6 1,-0.1 -1,-0.3 -0.629 71.8 174.8-118.7 75.5 44.2 93.2 79.0 24 28 F P T 3 S+ 0 0 2 0, 0.0 91,-1.1 0, 0.0 41,-0.2 0.568 72.2 56.1 -57.4 -19.9 44.0 92.9 75.1 25 29 F W T 3 S+ 0 0 1 89,-0.2 17,-1.9 91,-0.1 92,-0.1 0.645 79.1 108.3 -89.3 -19.1 44.5 89.1 75.0 26 30 F Q E < +K 41 0C 5 -3,-1.6 39,-0.6 15,-0.2 40,-0.4 -0.390 47.5 179.6 -61.6 129.0 41.6 88.2 77.3 27 31 F V E -KL 40 64C 0 13,-2.2 13,-1.2 37,-0.1 2,-0.4 -0.856 23.0-132.1-127.3 168.0 38.7 86.5 75.4 28 32 F S E -KL 39 63C 0 35,-2.0 35,-2.7 -2,-0.3 2,-0.6 -0.989 11.1-146.7-125.1 124.4 35.4 85.2 76.3 29 33 F L E +KL 38 62C 0 9,-2.8 8,-2.4 -2,-0.4 9,-1.1 -0.836 26.2 178.3 -90.9 121.1 34.2 81.8 75.2 30 34 F Q E -KL 36 61C 27 31,-2.5 31,-2.2 -2,-0.6 6,-0.2 -0.981 24.1-130.5-127.2 140.2 30.4 81.9 74.7 31 35 F D > - 0 0 43 4,-2.0 3,-2.5 -2,-0.4 29,-0.1 -0.292 44.1 -90.6 -76.1 172.7 28.0 79.2 73.5 32 36 F K T 3 S+ 0 0 175 1,-0.3 -1,-0.1 27,-0.2 28,-0.1 0.467 127.2 66.0 -66.1 2.7 25.4 80.0 70.7 33 37 F T T 3 S- 0 0 124 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.607 118.8-112.0 -93.8 -19.2 23.0 80.9 73.5 34 38 F G < + 0 0 46 -3,-2.5 2,-0.4 1,-0.3 -2,-0.1 0.259 68.2 147.6 101.6 -4.8 25.3 83.9 74.3 35 39 F F - 0 0 121 -5,-0.1 -4,-2.0 1,-0.1 2,-0.5 -0.490 46.0-138.0 -73.4 115.4 26.3 82.3 77.6 36 40 F H E +K 30 0C 14 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.613 35.5 160.6 -68.7 117.5 29.9 83.1 78.7 37 41 F F E + 0 0 38 -8,-2.4 2,-0.3 -2,-0.5 151,-0.2 0.695 57.2 6.7-115.6 -24.8 31.2 79.8 80.1 38 42 F b E -K 29 0C 5 -9,-1.1 -9,-2.8 149,-0.1 -1,-0.3 -0.942 62.4-126.3-151.1 169.1 35.0 80.2 80.1 39 43 F G E -K 28 0C 2 149,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.469 25.2-175.9-109.2-176.7 37.9 82.6 79.4 40 44 F G E -K 27 0C 0 -13,-1.2 -13,-2.2 -2,-0.2 2,-0.4 -0.980 20.2-120.9-171.0 169.0 40.8 82.4 77.1 41 45 F S E -KM 26 49C 1 8,-2.8 8,-2.7 -2,-0.3 2,-0.4 -0.989 18.0-134.3-131.5 127.7 44.1 84.0 75.9 42 46 F L E + M 0 48C 0 -17,-1.9 75,-2.2 -2,-0.4 6,-0.2 -0.607 21.2 176.2 -75.6 125.0 45.1 85.1 72.4 43 47 F I S S- 0 0 17 4,-2.3 2,-0.3 1,-0.4 73,-0.2 0.490 72.7 -19.7-106.2 -9.2 48.6 84.0 71.5 44 48 F N S S- 0 0 36 3,-0.9 3,-0.5 71,-0.1 -1,-0.4 -0.931 86.8 -74.5-178.4 174.9 48.4 85.3 67.9 45 49 F E S S+ 0 0 87 -2,-0.3 63,-2.9 1,-0.2 3,-0.0 0.709 129.0 34.5 -62.6 -17.0 45.7 86.3 65.4 46 50 F N S S+ 0 0 55 61,-0.2 58,-2.9 1,-0.1 2,-0.4 0.559 108.5 69.0-113.6 -6.6 44.8 82.7 64.7 47 51 F W E - N 0 103C 9 -3,-0.5 -4,-2.3 56,-0.2 -3,-0.9 -0.936 49.6-173.1-125.9 135.8 45.3 80.9 68.0 48 52 F V E -MN 42 102C 0 54,-2.3 54,-2.5 -2,-0.4 2,-0.5 -0.935 11.4-151.0-121.4 142.7 43.5 80.9 71.4 49 53 F V E +MN 41 101C 2 -8,-2.7 -8,-2.8 -2,-0.4 2,-0.3 -0.954 30.1 144.5-116.8 130.6 44.6 79.2 74.6 50 54 F T E - N 0 100C 0 50,-2.1 50,-2.0 -2,-0.5 2,-0.3 -0.861 54.5 -66.8-147.3-179.1 42.0 78.0 77.2 51 55 F A > - 0 0 0 -12,-0.4 3,-1.0 -2,-0.3 5,-0.3 -0.578 33.4-139.9 -78.9 136.9 41.5 75.2 79.6 52 56 F A G > S+ 0 0 6 -2,-0.3 3,-1.4 1,-0.2 4,-0.2 0.826 102.0 63.9 -63.7 -28.2 40.8 71.7 78.0 53 57 F H G 3 S+ 0 0 40 1,-0.3 -1,-0.2 2,-0.1 189,-0.0 0.643 79.0 82.4 -72.4 -12.7 38.1 71.1 80.7 54 58 F b G < S- 0 0 18 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.767 93.2-140.7 -62.0 -23.2 36.1 74.0 79.3 55 59 F G < - 0 0 51 -3,-1.4 2,-0.1 -4,-0.2 -2,-0.1 0.945 26.1-169.5 61.2 46.7 34.9 71.4 76.8 56 60 F V - 0 0 13 -5,-0.3 2,-0.3 -4,-0.2 -1,-0.2 -0.433 4.2-168.8 -69.2 140.5 34.9 73.8 73.9 57 61 F T > - 0 0 70 -2,-0.1 3,-1.1 26,-0.0 24,-0.1 -0.756 38.0-106.8-121.2 171.9 33.3 72.7 70.6 58 62 F T T 3 S+ 0 0 82 -2,-0.3 23,-0.4 1,-0.2 -2,-0.0 0.633 115.1 70.8 -75.5 -12.2 33.4 74.2 67.1 59 63 F S T 3 S+ 0 0 73 21,-0.1 -1,-0.2 2,-0.1 -27,-0.2 0.565 89.2 82.6 -76.8 -10.7 29.7 75.3 67.7 60 64 F D S < S- 0 0 20 -3,-1.1 21,-0.8 -29,-0.1 2,-0.3 -0.224 71.9-131.8 -85.8 179.5 31.0 77.9 70.2 61 65 F V E -LO 30 80C 30 -31,-2.2 -31,-2.5 19,-0.1 2,-0.5 -0.979 3.0-137.6-140.9 145.9 32.4 81.4 69.6 62 66 F V E -LO 29 79C 0 17,-2.8 17,-3.8 -2,-0.3 2,-0.6 -0.915 18.5-155.2-102.3 125.3 35.4 83.4 70.8 63 67 F V E -LO 28 78C 1 -35,-2.7 -35,-2.0 -2,-0.5 2,-0.3 -0.916 14.1-177.8-108.1 122.4 34.8 87.0 71.8 64 68 F A E +LO 27 77C 0 13,-2.3 13,-3.0 -2,-0.6 -37,-0.1 -0.866 60.4 26.9-117.8 150.2 37.7 89.4 71.6 65 69 F G S S+ 0 0 20 -39,-0.6 2,-0.3 -2,-0.3 -1,-0.2 0.772 85.0 141.1 75.2 25.9 37.9 93.1 72.5 66 70 F E + 0 0 24 -40,-0.4 -1,-0.3 -3,-0.3 -45,-0.2 -0.744 19.6 156.6-102.9 144.8 35.1 92.8 75.0 67 71 F F S S+ 0 0 29 -2,-0.3 81,-2.0 1,-0.3 2,-0.6 0.516 73.8 36.7-128.4 -47.1 35.0 94.6 78.4 68 72 F D B > -Q 147 0D 32 79,-0.2 3,-1.8 1,-0.1 79,-0.3 -0.938 63.5-161.9-117.7 103.0 31.4 94.8 79.4 69 73 F Q T 3 S+ 0 0 49 77,-4.0 78,-0.1 -2,-0.6 -1,-0.1 0.611 92.3 54.1 -56.6 -15.8 29.5 91.7 78.3 70 74 F G T 3 S+ 0 0 49 76,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.454 85.9 99.7 -99.7 -3.2 26.3 93.8 78.8 71 75 F S < - 0 0 40 -3,-1.8 3,-0.1 75,-0.2 -4,-0.1 -0.565 49.5-166.9 -84.6 148.2 27.1 96.7 76.5 72 76 F S S S+ 0 0 125 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.0 0.643 81.3 64.3-106.2 -22.6 25.8 96.9 73.0 73 77 F S S S+ 0 0 117 2,-0.1 2,-0.6 0, 0.0 -1,-0.1 0.206 73.7 119.6 -86.7 13.3 28.0 99.7 71.6 74 78 F E - 0 0 50 -6,-0.1 2,-2.2 -3,-0.1 -8,-0.0 -0.741 63.5-140.8 -87.0 123.7 31.2 97.6 72.0 75 79 F K + 0 0 207 -2,-0.6 -1,-0.1 -10,-0.1 -2,-0.1 -0.468 45.3 164.7 -78.9 64.0 33.0 97.0 68.7 76 80 F I - 0 0 44 -2,-2.2 2,-0.6 1,-0.0 -11,-0.2 -0.232 37.6-120.8 -79.7 170.1 33.8 93.4 69.8 77 81 F Q E -O 64 0C 42 -13,-3.0 -13,-2.3 2,-0.0 2,-0.9 -0.924 14.8-159.5-121.7 107.9 35.0 90.5 67.6 78 82 F K E -O 63 0C 150 -2,-0.6 2,-0.5 -15,-0.2 -15,-0.2 -0.768 21.0-164.8 -85.7 106.1 32.9 87.4 67.4 79 83 F L E -O 62 0C 6 -17,-3.8 -17,-2.8 -2,-0.9 2,-0.3 -0.826 12.8-136.1-104.6 130.4 35.3 84.7 66.2 80 84 F K E -O 61 0C 141 -2,-0.5 25,-2.5 -19,-0.2 26,-1.0 -0.593 19.9-127.2 -82.3 135.5 34.5 81.3 64.8 81 85 F I E -P 104 0C 10 -21,-0.8 23,-0.3 -23,-0.4 3,-0.1 -0.720 22.9-179.0 -85.5 118.2 36.4 78.2 65.9 82 86 F A E + 0 0 44 21,-2.4 2,-0.4 -2,-0.6 22,-0.2 0.978 69.5 4.4 -78.8 -56.9 37.9 76.0 63.2 83 87 F K E -P 103 0C 116 20,-1.6 20,-3.0 -26,-0.1 2,-0.5 -0.978 56.1-143.4-138.4 138.6 39.5 73.3 65.4 84 88 F V E -P 102 0C 43 -2,-0.4 2,-0.7 18,-0.2 18,-0.2 -0.791 16.7-164.1 -95.7 122.9 39.8 72.3 69.0 85 89 F F E -P 101 0C 26 16,-3.5 16,-2.8 -2,-0.5 2,-0.5 -0.866 5.3-167.3-112.4 93.3 43.2 71.0 69.9 86 90 F K E -P 100 0C 132 -2,-0.7 14,-0.2 14,-0.2 2,-0.2 -0.701 32.4-109.7 -81.0 125.1 43.0 69.2 73.2 87 91 F N > - 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