==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-AUG-93 1GMD . 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) . 9767.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 65.8 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 . 21 8.8 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 . 16 6.7 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 . 4 3 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 0 104 0, 0.0 116,-0.2 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 164.7 53.2 90.0 72.7 2 2 E G + 0 0 1 114,-2.4 198,-2.4 197,-0.2 115,-0.1 0.583 360.0 104.2 60.3 14.2 52.4 90.8 76.4 3 3 E V - 0 0 96 113,-0.3 -1,-0.1 196,-0.2 196,-0.1 -0.856 60.3-152.0-126.7 92.1 52.4 94.6 76.0 4 4 E P - 0 0 4 0, 0.0 3,-0.1 0, 0.0 18,-0.1 -0.349 14.8-141.7 -65.6 145.3 48.9 96.0 76.0 5 5 E A S S+ 0 0 54 107,-0.6 2,-0.6 16,-0.2 17,-0.1 0.665 101.2 53.7 -74.4 -21.7 48.3 99.3 74.1 6 6 E I S S- 0 0 44 15,-0.5 -1,-0.2 106,-0.4 13,-0.1 -0.960 97.9-132.5-114.1 110.2 46.0 100.2 77.0 7 7 E Q - 0 0 116 -2,-0.6 2,-0.1 -3,-0.1 15,-0.1 -0.396 15.6-120.9 -69.7 130.4 47.9 99.8 80.2 8 8 E P - 0 0 23 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.437 19.3-149.5 -69.7 144.8 46.4 97.9 83.1 9 9 E V 0 0 96 -2,-0.1 10,-0.2 1,-0.1 13,-0.0 -0.984 360.0 360.0-118.8 119.9 45.9 99.8 86.4 10 10 E L 0 0 92 -2,-0.5 142,-0.2 8,-0.1 -1,-0.1 0.473 360.0 360.0-116.9 360.0 46.1 97.6 89.6 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 0.000 360.0 360.0 360.0 120.5 37.0 86.3 90.5 13 17 F V B 3 +A 182 0A 20 169,-3.4 169,-1.8 1,-0.2 128,-0.1 -0.801 360.0 8.3 -90.4 132.6 36.0 86.8 94.1 14 18 F N T 3 S+ 0 0 111 126,-0.6 -1,-0.2 -2,-0.4 126,-0.1 0.693 100.7 131.6 73.1 17.6 37.4 89.9 95.7 15 19 F G < - 0 0 25 -3,-0.6 2,-0.3 167,-0.1 136,-0.2 0.026 49.5-128.1 -82.1-161.6 38.7 91.2 92.4 16 20 F E E -B 150 0B 82 134,-2.6 134,-2.8 -3,-0.1 2,-0.1 -0.969 29.1 -89.2-149.1 155.4 38.2 94.6 90.9 17 21 F E E -B 149 0B 109 -2,-0.3 132,-0.2 132,-0.2 2,-0.1 -0.470 46.7-135.2 -67.2 137.5 37.0 95.9 87.6 18 22 F A - 0 0 6 130,-2.4 -1,-0.1 -2,-0.1 -8,-0.1 -0.457 26.7 -89.3 -89.7 169.1 39.8 96.2 85.0 19 23 F V > - 0 0 48 -10,-0.2 3,-2.6 -2,-0.1 4,-0.2 -0.659 58.3 -96.8 -77.7 127.6 40.5 99.1 82.6 20 24 F P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.218 106.3 2.8 -49.4 115.7 38.6 98.3 79.4 21 25 F G T 3 S+ 0 0 17 45,-0.2 -15,-0.5 2,-0.1 -16,-0.2 0.570 92.0 119.9 84.7 8.3 41.0 96.7 76.9 22 26 F S S < S+ 0 0 0 -3,-2.6 91,-0.0 1,-0.3 -1,-0.0 0.524 79.1 44.8 -82.5 -6.8 43.9 96.6 79.2 23 27 F W S > S+ 0 0 8 -4,-0.2 3,-1.3 90,-0.1 -1,-0.3 -0.663 74.5 171.7-132.3 70.6 44.1 92.7 79.0 24 28 F P T 3 S+ 0 0 4 0, 0.0 91,-1.5 0, 0.0 41,-0.2 0.474 70.3 58.1 -62.9 -10.6 43.6 92.5 75.1 25 29 F W T 3 S+ 0 0 0 89,-0.2 17,-2.3 91,-0.1 2,-0.1 0.636 78.8 106.6 -94.3 -18.9 44.3 88.7 74.9 26 30 F Q E < -K 41 0C 8 -3,-1.3 39,-0.4 15,-0.2 2,-0.3 -0.404 51.8-176.0 -62.2 125.9 41.5 87.8 77.3 27 31 F V E -K 40 0C 0 13,-3.3 13,-1.2 -2,-0.1 2,-0.5 -0.812 22.3-125.7-121.9 165.9 38.7 86.2 75.3 28 32 F S E -KL 39 63C 0 35,-2.7 35,-3.2 -2,-0.3 2,-0.6 -0.944 12.8-150.3-111.7 130.5 35.2 85.0 76.2 29 33 F L E +KL 38 62C 2 9,-3.3 8,-2.5 -2,-0.5 9,-1.3 -0.915 25.5 173.3 -99.4 122.7 34.1 81.5 75.3 30 34 F Q E -KL 36 61C 27 31,-2.6 31,-3.3 -2,-0.6 6,-0.2 -0.998 26.2-133.5-132.6 138.2 30.3 81.5 74.8 31 35 F D > - 0 0 38 4,-1.8 3,-1.8 -2,-0.4 4,-0.2 -0.185 48.2 -83.0 -75.7-177.5 28.1 78.7 73.5 32 36 F K T 3 S+ 0 0 163 1,-0.3 -1,-0.1 2,-0.1 28,-0.1 0.603 125.4 65.8 -65.6 -14.3 25.4 79.4 70.8 33 37 F T T 3 S- 0 0 116 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.417 120.2-104.9 -85.8 0.9 22.9 80.8 73.3 34 38 F G S < S+ 0 0 49 -3,-1.8 2,-0.5 1,-0.2 -2,-0.1 0.580 72.5 149.1 85.9 12.9 25.2 83.7 74.0 35 39 F F - 0 0 122 -4,-0.2 -4,-1.8 1,-0.0 2,-0.5 -0.689 44.9-137.4 -87.1 119.1 26.2 82.2 77.4 36 40 F H E +K 30 0C 9 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.613 37.0 156.4 -73.2 122.0 29.8 82.9 78.7 37 41 F F E + 0 0 42 -8,-2.5 2,-0.3 -2,-0.5 149,-0.2 0.573 59.4 11.8-123.9 -15.0 31.1 79.6 80.2 38 42 F b E -K 29 0C 6 -9,-1.3 -9,-3.3 149,-0.1 -1,-0.4 -0.987 61.3-131.2-160.3 154.1 34.9 80.0 80.0 39 43 F G E -K 28 0C 0 149,-2.6 12,-0.4 148,-0.4 2,-0.3 -0.488 26.4-178.6 -97.5 177.5 37.7 82.5 79.5 40 44 F G E -K 27 0C 0 -13,-1.2 -13,-3.3 -2,-0.2 2,-0.4 -0.959 21.3-120.7-171.2 157.9 40.6 82.0 77.1 41 45 F S E -KM 26 49C 1 8,-3.2 8,-3.3 -2,-0.3 2,-0.4 -0.952 17.5-130.6-120.2 132.1 43.8 83.8 76.0 42 46 F L E + M 0 48C 0 -17,-2.3 75,-2.1 -2,-0.4 6,-0.3 -0.601 23.4 176.7 -73.3 123.6 44.7 84.8 72.5 43 47 F I E S- 0 0 18 4,-2.7 2,-0.3 1,-0.4 5,-0.2 0.509 71.8 -19.9-103.4 -12.4 48.3 83.7 71.7 44 48 F N E > S- M 0 47C 49 3,-1.3 3,-0.5 71,-0.1 -1,-0.4 -0.925 87.8 -72.9-173.2-178.1 48.2 84.9 68.1 45 49 F E T 3 S+ 0 0 88 -2,-0.3 63,-2.3 1,-0.2 3,-0.1 0.394 129.5 32.2 -75.2 3.7 45.6 85.8 65.5 46 50 F N T 3 S+ 0 0 44 61,-0.2 58,-1.8 1,-0.2 2,-0.4 0.353 111.5 68.5-135.6 -1.3 44.5 82.3 64.8 47 51 F W E < +MN 44 103C 11 -3,-0.5 -4,-2.7 56,-0.2 -3,-1.3 -0.983 47.4 179.7-135.4 133.2 45.1 80.6 68.1 48 52 F V E -MN 42 102C 1 54,-1.7 54,-2.3 -2,-0.4 2,-0.4 -0.940 18.9-144.2-123.9 142.2 43.4 80.9 71.5 49 53 F V E +MN 41 101C 2 -8,-3.3 -8,-3.2 -2,-0.4 2,-0.2 -0.934 30.7 152.4-110.9 134.4 44.5 78.9 74.6 50 54 F T E - N 0 100C 0 50,-2.4 50,-2.3 -2,-0.4 2,-0.4 -0.796 48.8 -71.8-146.4-178.5 41.9 77.7 77.1 51 55 F A > - 0 0 1 -12,-0.4 3,-1.3 48,-0.2 48,-0.3 -0.718 31.9-139.7 -84.0 137.1 41.3 74.9 79.6 52 56 F A G > S+ 0 0 3 -2,-0.4 3,-1.8 1,-0.3 4,-0.2 0.843 101.8 64.5 -64.7 -29.6 40.6 71.4 78.2 53 57 F H G 3 S+ 0 0 44 1,-0.3 -1,-0.3 2,-0.1 154,-0.0 0.728 80.6 79.4 -67.8 -17.3 38.0 70.9 80.8 54 58 F b G < S- 0 0 17 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.707 93.8-143.2 -61.7 -16.4 35.9 73.7 79.3 55 59 F G < - 0 0 50 -3,-1.8 -2,-0.1 -4,-0.2 -3,-0.1 0.910 23.4-166.8 53.2 54.1 34.9 71.1 76.8 56 60 F V - 0 0 17 -5,-0.3 2,-0.3 -4,-0.2 -1,-0.1 -0.259 8.7-174.7 -71.7 152.6 34.9 73.4 73.8 57 61 F T > - 0 0 71 26,-0.0 3,-1.4 4,-0.0 24,-0.1 -0.906 42.0 -97.0-137.5 169.0 33.3 72.3 70.4 58 62 F T T 3 S+ 0 0 89 -2,-0.3 23,-0.5 1,-0.3 -2,-0.0 0.536 117.9 63.5 -68.2 -13.1 33.1 74.0 67.1 59 63 F S T 3 S+ 0 0 60 21,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.653 85.8 92.8 -84.7 -16.4 29.6 75.4 67.7 60 64 F D S < S- 0 0 15 -3,-1.4 21,-0.7 -29,-0.1 2,-0.4 -0.262 71.8-135.8 -69.1 159.8 31.0 77.5 70.6 61 65 F V E -LO 30 80C 37 -31,-3.3 -31,-2.6 19,-0.1 2,-0.5 -0.941 1.0-139.7-125.2 144.5 32.1 81.1 69.8 62 66 F V E -LO 29 79C 1 17,-2.9 17,-2.7 -2,-0.4 2,-0.5 -0.911 18.2-159.7-101.5 123.4 35.2 83.1 70.8 63 67 F V E +LO 28 78C 2 -35,-3.2 -35,-2.7 -2,-0.5 2,-0.3 -0.915 13.0 177.4-108.5 129.7 34.5 86.7 71.7 64 68 F A E + O 0 77C 1 13,-1.7 13,-3.3 -2,-0.5 -37,-0.1 -0.908 58.9 37.3-125.2 159.3 37.4 89.2 71.6 65 69 F G S S+ 0 0 18 48,-0.4 2,-0.3 -39,-0.4 -1,-0.1 0.621 85.2 137.3 75.1 15.2 37.5 93.0 72.2 66 70 F E + 0 0 23 -40,-0.3 -1,-0.3 1,-0.1 -45,-0.2 -0.697 21.0 152.9-101.5 141.6 34.9 92.7 75.0 67 71 F F S S+ 0 0 28 1,-0.4 81,-2.2 -2,-0.3 2,-0.6 0.540 74.5 38.7-125.3 -52.4 34.8 94.4 78.4 68 72 F D B > -Q 147 0D 42 79,-0.2 3,-1.0 1,-0.1 -1,-0.4 -0.945 62.0-163.5-107.8 118.3 31.2 94.6 79.4 69 73 F Q T 3 S+ 0 0 43 77,-3.1 -1,-0.1 -2,-0.6 78,-0.1 0.831 91.3 56.4 -68.5 -32.4 29.1 91.5 78.4 70 74 F G T 3 S+ 0 0 54 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.425 88.2 97.7 -79.5 0.5 25.9 93.5 78.9 71 75 F S < - 0 0 35 -3,-1.0 3,-0.2 75,-0.2 -4,-0.1 -0.728 46.6-174.7 -94.3 141.3 26.9 96.3 76.4 72 76 F S S S+ 0 0 127 -2,-0.3 -1,-0.1 1,-0.1 -3,-0.0 0.430 78.2 71.4-105.9 -5.9 25.7 96.3 72.8 73 77 F S S S+ 0 0 106 2,-0.1 2,-0.4 0, 0.0 -1,-0.1 0.149 72.6 111.0 -96.9 17.6 27.8 99.3 71.8 74 78 F E S S- 0 0 50 -3,-0.2 2,-2.1 -6,-0.1 -8,-0.1 -0.796 70.0-131.7 -97.9 138.6 31.2 97.5 71.9 75 79 F K + 0 0 115 -2,-0.4 -1,-0.1 -10,-0.1 -2,-0.1 -0.385 48.6 165.3 -79.8 58.6 33.2 96.7 68.8 76 80 F I - 0 0 40 -2,-2.1 2,-0.6 1,-0.0 -11,-0.2 -0.337 35.5-128.3 -76.0 159.4 33.7 93.1 69.8 77 81 F Q E -O 64 0C 36 -13,-3.3 -13,-1.7 -2,-0.0 2,-1.2 -0.931 12.4-157.6-113.7 109.5 35.0 90.3 67.4 78 82 F K E -O 63 0C 128 -2,-0.6 2,-0.3 -15,-0.2 -15,-0.2 -0.686 20.0-170.2 -89.8 92.7 32.8 87.2 67.3 79 83 F L E -O 62 0C 9 -17,-2.7 -17,-2.9 -2,-1.2 2,-0.2 -0.627 13.7-137.4 -89.9 136.4 35.3 84.5 66.0 80 84 F K E -O 61 0C 134 -2,-0.3 25,-2.1 -19,-0.2 26,-1.0 -0.609 19.5-120.2 -92.0 148.6 34.3 81.0 64.9 81 85 F I E -P 104 0C 8 -21,-0.7 23,-0.3 -23,-0.5 3,-0.1 -0.826 22.7-176.2 -94.1 121.1 36.3 77.9 65.9 82 86 F A E S- 0 0 49 21,-2.6 2,-0.3 -2,-0.6 22,-0.2 0.902 71.2 -1.2 -79.2 -44.0 37.7 75.9 63.0 83 87 F K E -P 103 0C 117 20,-1.6 20,-2.8 -26,-0.1 2,-0.5 -0.997 59.7-136.5-154.2 141.3 39.2 73.0 65.1 84 88 F V E -P 102 0C 37 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.888 14.3-163.5-101.0 128.1 39.6 72.1 68.8 85 89 F F E -P 101 0C 28 16,-3.7 16,-2.4 -2,-0.5 2,-0.4 -0.800 6.3-169.8-115.8 85.2 43.0 70.7 69.9 86 90 F K E -P 100 0C 139 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.633 35.3-107.8 -77.0 123.1 42.6 69.0 73.3 87 91 F N > - 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