==== 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 (SERINE PROTEINASE) 25-SEP-89 4GCH . COMPND 2 MOLECULE: GAMMA-CHYMOTRYPSIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.L.STODDARD,D.RINGE,G.A.PETSKO . 237 4 5 3 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10284.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 59.5 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 31.6 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 . 3 1.3 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 . 15 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.5 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 . 4 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 1 0 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,-0.3 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 166.1 53.5 90.2 72.4 2 2 E G + 0 0 0 114,-2.5 198,-2.4 197,-0.1 115,-0.1 0.319 360.0 99.5 63.8 10.1 52.7 91.3 76.0 3 3 E V - 0 0 85 113,-0.3 113,-0.1 196,-0.2 196,-0.1 -0.846 65.2-135.6-129.5 101.0 52.6 95.1 76.2 4 4 E P - 0 0 3 0, 0.0 3,-0.1 0, 0.0 18,-0.1 0.083 9.1-139.4 -51.8 153.5 49.1 96.6 76.0 5 5 E A S S+ 0 0 55 107,-0.5 2,-0.6 16,-0.3 108,-0.1 0.850 106.4 47.7 -81.7 -28.4 48.3 99.6 73.9 6 6 E I S S- 0 0 46 15,-0.5 -1,-0.3 106,-0.5 13,-0.1 -0.941 100.3-130.8-105.6 106.4 46.2 100.7 76.8 7 7 E Q - 0 0 125 -2,-0.6 15,-0.1 -3,-0.1 16,-0.1 -0.336 20.4-119.5 -75.8 127.8 48.3 100.2 80.1 8 8 E P - 0 0 28 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.396 20.0-143.8 -66.1 142.8 46.7 98.4 83.0 9 9 E V 0 0 88 -2,-0.1 10,-0.1 10,-0.0 13,-0.0 -0.937 360.0 360.0-111.2 121.4 46.2 100.1 86.4 10 10 E L 0 0 114 -2,-0.5 8,-0.0 8,-0.1 142,-0.0 -0.411 360.0 360.0-110.2 360.0 46.6 98.2 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 2 0, 0.0 3,-0.6 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 115.6 37.4 86.6 90.9 13 17 F V B 3 +A 182 0A 30 169,-3.5 169,-1.5 1,-0.2 128,-0.2 -0.854 360.0 5.2 -89.1 119.2 36.3 87.1 94.6 14 18 F N T 3 S+ 0 0 112 126,-0.7 -1,-0.2 -2,-0.6 2,-0.1 0.767 92.7 135.9 78.9 28.0 37.7 90.5 95.5 15 19 F G < - 0 0 21 -3,-0.6 2,-0.3 125,-0.2 136,-0.3 -0.301 48.7-125.8 -94.2-178.5 39.1 91.7 92.2 16 20 F E E -B 150 0B 85 134,-2.5 134,-2.8 -2,-0.1 2,-0.2 -0.754 35.5 -87.1-126.3 163.9 38.5 95.3 90.9 17 21 F E E -B 149 0B 96 -2,-0.3 132,-0.3 132,-0.2 2,-0.2 -0.511 48.1-121.8 -63.2 138.5 37.1 96.2 87.6 18 22 F A - 0 0 3 130,-3.3 -1,-0.1 -2,-0.2 -8,-0.1 -0.487 24.6-103.8 -80.2 157.5 39.9 96.4 84.8 19 23 F V > - 0 0 53 -2,-0.2 3,-1.5 -10,-0.1 2,-0.3 -0.647 58.9 -92.2 -73.2 134.2 40.6 99.7 82.8 20 24 F P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.429 105.3 5.4 -69.3 126.5 39.0 98.9 79.4 21 25 F G T 3 S+ 0 0 18 -2,-0.3 -15,-0.5 45,-0.2 -16,-0.3 0.372 92.8 119.6 83.1 8.0 41.2 97.3 76.7 22 26 F S S < S+ 0 0 0 -3,-1.5 91,-0.0 1,-0.3 -3,-0.0 0.506 75.8 46.4 -73.9 -10.8 44.0 97.1 79.3 23 27 F W S > S+ 0 0 9 -4,-0.1 3,-1.2 90,-0.1 -1,-0.3 -0.680 71.4 171.8-131.5 72.7 44.0 93.3 78.9 24 28 F P T 3 S+ 0 0 2 0, 0.0 91,-1.7 0, 0.0 41,-0.1 0.504 70.5 54.4 -70.1 -8.5 44.0 92.9 75.1 25 29 F W T 3 S+ 0 0 0 89,-0.2 17,-2.2 91,-0.1 2,-0.3 0.509 80.5 107.3-103.4 -7.5 44.6 89.1 74.8 26 30 F Q E < +J 41 0C 5 -3,-1.2 39,-0.7 15,-0.2 40,-0.3 -0.522 46.8 174.9 -70.6 130.3 41.7 88.2 77.1 27 31 F V E -JK 40 64C 0 13,-1.8 13,-0.6 -2,-0.3 2,-0.4 -0.811 23.6-131.4-129.7 164.5 38.9 86.7 75.1 28 32 F S E -JK 39 63C 0 35,-2.0 35,-2.5 -2,-0.3 2,-0.5 -0.988 8.4-141.8-126.5 131.3 35.6 85.2 76.3 29 33 F L E +JK 38 62C 0 9,-2.2 8,-2.0 -2,-0.4 9,-1.0 -0.851 28.6 176.0 -84.8 125.8 34.2 81.8 75.1 30 34 F Q E -JK 36 61C 13 31,-1.8 31,-2.0 -2,-0.5 6,-0.2 -0.937 24.4-127.4-128.7 146.0 30.4 82.0 74.7 31 35 F D - 0 0 47 4,-1.4 3,-0.5 -2,-0.3 29,-0.1 -0.034 44.3 -87.7 -81.8-170.1 27.9 79.3 73.4 32 36 F K S S+ 0 0 182 1,-0.2 28,-0.1 2,-0.1 -1,-0.0 0.652 130.5 63.9 -79.7 -10.0 25.4 80.0 70.6 33 37 F T S S- 0 0 121 2,-0.1 -1,-0.2 1,-0.0 -3,-0.0 0.789 117.7-114.7 -77.2 -29.0 23.1 81.2 73.4 34 38 F G + 0 0 41 -3,-0.5 2,-0.4 1,-0.3 -2,-0.1 0.211 67.0 144.2 110.6 -9.0 25.6 84.0 74.2 35 39 F F - 0 0 116 -5,-0.1 -4,-1.4 1,-0.1 -1,-0.3 -0.483 46.9-135.8 -68.7 111.3 26.5 82.7 77.6 36 40 F H E +J 30 0C 13 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.580 35.5 158.6 -66.3 126.1 30.1 83.2 78.8 37 41 F F E + 0 0 41 -8,-2.0 2,-0.3 1,-0.5 151,-0.2 0.579 60.5 10.7-132.5 -13.3 31.4 80.0 80.3 38 42 F b E -J 29 0C 3 -9,-1.0 -9,-2.2 149,-0.1 -1,-0.5 -0.928 64.1-127.7-156.4 165.8 35.3 80.2 80.1 39 43 F G E -J 28 0C 3 149,-3.5 12,-0.3 -2,-0.3 2,-0.3 -0.111 22.8-170.3-104.4-164.6 38.0 82.8 79.3 40 44 F G E -J 27 0C 0 -13,-0.6 -13,-1.8 10,-0.1 2,-0.4 -0.859 16.6-127.2-176.9 160.2 40.9 82.3 76.8 41 45 F S E -JL 26 49C 1 8,-2.8 8,-3.6 -2,-0.3 2,-0.2 -0.996 19.9-125.0-132.3 131.7 44.2 84.2 75.8 42 46 F L E - L 0 48C 0 -17,-2.2 75,-2.3 -2,-0.4 6,-0.2 -0.540 22.9-178.8 -66.9 123.0 45.2 85.3 72.3 43 47 F I E S- 0 0 16 4,-3.1 2,-0.3 1,-0.5 5,-0.2 0.608 70.7 -38.2-104.4 -12.4 48.7 83.9 71.5 44 48 F N E > S- L 0 47C 38 3,-1.0 3,-0.8 71,-0.1 -1,-0.5 -0.910 89.2 -56.5 175.5-163.4 48.7 85.6 68.1 45 49 F E T 3 S+ 0 0 86 -2,-0.3 63,-2.7 1,-0.2 3,-0.1 0.641 129.1 28.5 -80.8 -7.5 46.1 86.3 65.4 46 50 F N T 3 S+ 0 0 59 61,-0.2 58,-2.4 1,-0.1 2,-0.5 0.346 110.0 72.3-120.7 6.0 44.8 82.7 64.6 47 51 F W E < -LM 44 103C 9 -3,-0.8 -4,-3.1 56,-0.2 -3,-1.0 -0.945 49.2-176.1-142.7 122.3 45.4 81.0 68.0 48 52 F V E -LM 42 102C 0 54,-2.8 54,-2.2 -2,-0.5 2,-0.4 -0.910 15.4-147.1-104.9 137.2 43.7 81.2 71.3 49 53 F V E +LM 41 101C 3 -8,-3.6 -8,-2.8 -2,-0.4 2,-0.2 -0.903 31.0 149.8-104.5 136.1 44.8 79.3 74.5 50 54 F T E - M 0 100C 0 50,-2.6 50,-1.8 -2,-0.4 2,-0.3 -0.702 48.7 -70.6-140.6-168.0 42.1 78.1 77.0 51 55 F A > - 0 0 1 -12,-0.3 3,-0.7 48,-0.2 4,-0.3 -0.703 30.2-135.1 -90.1 147.3 41.6 75.2 79.5 52 56 F A G > S+ 0 0 5 -2,-0.3 3,-1.6 1,-0.3 4,-0.2 0.893 105.2 57.7 -69.9 -35.5 41.0 71.6 78.4 53 57 F H G 3 S+ 0 0 49 1,-0.3 -1,-0.3 2,-0.1 154,-0.0 0.654 83.6 82.6 -68.5 -16.3 38.2 71.1 80.9 54 58 F b G < S- 0 0 17 -3,-0.7 -1,-0.3 1,-0.1 -2,-0.2 0.903 88.4-148.5 -57.9 -23.8 36.4 74.1 79.4 55 59 F G < - 0 0 53 -3,-1.6 2,-0.2 -4,-0.3 -2,-0.1 0.879 21.2-173.2 57.1 44.1 35.2 71.5 76.7 56 60 F V - 0 0 13 -5,-0.3 2,-0.2 -4,-0.2 -1,-0.2 -0.463 5.6-176.7 -66.0 132.9 35.0 74.0 73.9 57 61 F T - 0 0 71 -2,-0.2 3,-0.3 26,-0.0 24,-0.1 -0.461 42.7 -96.6-117.4-171.3 33.4 72.7 70.5 58 62 F T S S+ 0 0 74 1,-0.2 23,-0.3 -2,-0.2 -2,-0.1 0.402 114.9 74.8 -98.9 10.7 33.1 74.6 67.2 59 63 F S S S+ 0 0 62 21,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.589 90.3 86.7 -88.7 1.2 29.5 75.7 67.8 60 64 F D - 0 0 18 -3,-0.3 21,-0.9 -29,-0.1 2,-0.4 -0.258 70.0-142.2 -90.4 165.2 31.2 78.1 70.3 61 65 F V E -KN 30 80C 31 -31,-2.0 -31,-1.8 19,-0.2 2,-0.5 -0.996 10.1-133.1-140.8 148.9 32.8 81.5 69.6 62 66 F V E -KN 29 79C 0 17,-3.5 17,-3.8 -2,-0.4 2,-0.4 -0.765 23.5-163.3 -92.7 117.1 35.7 83.6 70.7 63 67 F V E +KN 28 78C 1 -35,-2.5 -35,-2.0 -2,-0.5 2,-0.4 -0.909 13.4 178.9-111.5 130.7 34.8 87.1 71.6 64 68 F A E +KN 27 77C 0 13,-1.0 13,-2.8 -2,-0.4 -37,-0.2 -0.995 55.3 34.9-133.9 150.1 37.6 89.7 71.8 65 69 F G S S+ 0 0 19 -39,-0.7 2,-0.4 -2,-0.4 -1,-0.2 0.826 82.2 143.6 81.9 20.5 37.9 93.3 72.5 66 70 F E + 0 0 27 -40,-0.3 -1,-0.3 -3,-0.2 -45,-0.2 -0.800 19.0 157.2 -92.9 143.2 35.1 93.0 75.1 67 71 F F S S+ 0 0 22 -2,-0.4 81,-0.8 1,-0.3 2,-0.7 0.466 72.7 37.6-121.4 -74.0 35.1 94.9 78.4 68 72 F D B > -P 147 0D 30 79,-0.2 3,-1.7 1,-0.2 79,-0.3 -0.732 64.0-159.6 -92.6 106.3 31.4 95.1 79.5 69 73 F Q T 3 S+ 0 0 48 77,-5.9 -1,-0.2 -2,-0.7 78,-0.1 0.722 94.5 49.9 -51.7 -29.4 29.6 91.9 78.7 70 74 F G T 3 S+ 0 0 49 -3,-0.0 2,-0.3 2,-0.0 -1,-0.3 0.476 86.8 98.5 -94.4 -7.9 26.4 93.9 78.9 71 75 F S < - 0 0 47 -3,-1.7 3,-0.2 75,-0.2 -4,-0.1 -0.739 48.5-167.0 -85.0 135.6 27.2 96.9 76.7 72 76 F S S S+ 0 0 125 -2,-0.3 -1,-0.1 1,-0.1 -3,-0.0 0.411 76.8 71.8 -94.6 -16.3 25.9 96.9 73.1 73 77 F S S S+ 0 0 114 2,-0.1 2,-0.5 0, 0.0 -1,-0.1 0.288 71.4 119.7 -94.3 17.0 28.0 99.8 71.8 74 78 F E - 0 0 52 -3,-0.2 2,-2.3 -6,-0.1 -8,-0.0 -0.700 64.6-135.8 -91.0 128.2 31.3 97.9 71.7 75 79 F K + 0 0 206 -2,-0.5 2,-0.2 2,-0.0 -1,-0.1 -0.465 50.6 159.1 -72.2 70.8 33.4 97.3 68.7 76 80 F I - 0 0 48 -2,-2.3 2,-0.6 -13,-0.0 -11,-0.2 -0.595 39.1-124.4 -93.2 165.2 34.0 93.6 69.6 77 81 F Q E -N 64 0C 39 -13,-2.8 -13,-1.0 -2,-0.2 2,-0.8 -0.922 10.6-157.1-115.2 111.6 35.0 90.7 67.4 78 82 F K E -N 63 0C 135 -2,-0.6 2,-0.5 -15,-0.2 -15,-0.2 -0.714 22.0-166.7 -87.3 110.1 33.0 87.5 67.3 79 83 F L E -N 62 0C 5 -17,-3.8 -17,-3.5 -2,-0.8 2,-0.2 -0.872 11.7-137.6-107.3 130.8 35.4 84.8 66.1 80 84 F K E -N 61 0C 132 -2,-0.5 25,-2.0 -19,-0.2 26,-0.7 -0.526 18.9-122.4 -83.9 134.1 34.5 81.3 64.9 81 85 F I E -O 104 0C 11 -21,-0.9 23,-0.2 -23,-0.3 3,-0.1 -0.701 23.5-177.9 -85.1 130.1 36.4 78.1 65.9 82 86 F A E - 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