==== 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 5GCH . COMPND 2 MOLECULE: GAMMA-CHYMOTRYPSIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.L.STODDARD,D.RINGE,G.A.PETSKO . 236 3 5 3 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 64.8 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 . 75 31.8 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 . 23 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.4 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 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 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 98 0, 0.0 116,-0.2 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 158.7 53.4 90.6 72.7 2 2 E G + 0 0 0 114,-2.6 198,-2.1 197,-0.2 115,-0.1 0.329 360.0 99.4 60.9 0.6 52.5 91.1 76.4 3 3 E V - 0 0 92 113,-0.2 196,-0.1 196,-0.2 -1,-0.1 -0.803 65.2-149.2-121.7 93.1 52.8 95.0 76.2 4 4 E P - 0 0 6 0, 0.0 3,-0.1 0, 0.0 18,-0.1 0.097 19.5-133.1 -52.9 164.6 49.4 96.5 75.9 5 5 E A S S+ 0 0 46 107,-0.5 2,-0.6 16,-0.3 17,-0.1 0.799 105.3 46.2 -86.7 -33.8 48.2 99.7 74.2 6 6 E I S S- 0 0 45 15,-0.6 -1,-0.3 106,-0.4 13,-0.1 -0.988 98.3-129.5-108.0 110.0 46.2 100.7 77.2 7 7 E Q - 0 0 127 -2,-0.6 15,-0.1 -3,-0.1 16,-0.1 -0.572 24.0-117.0 -71.2 125.0 48.5 100.2 80.3 8 8 E P - 0 0 26 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.233 25.3-134.6 -60.9 148.8 46.7 98.1 83.0 9 9 E V 0 0 86 10,-0.0 10,-0.1 0, 0.0 13,-0.0 -0.972 360.0 360.0-118.4 121.3 46.1 99.9 86.3 10 10 E L 0 0 117 -2,-0.5 8,-0.1 8,-0.1 141,-0.0 -0.678 360.0 360.0 -99.0 360.0 46.9 98.2 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 2 0, 0.0 3,-0.6 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 107.7 37.5 86.2 90.6 13 17 F V B 3 +A 182 0A 24 169,-5.6 169,-2.0 1,-0.2 128,-0.1 -0.838 360.0 11.8 -90.4 123.3 36.2 86.8 94.2 14 18 F N T 3 S+ 0 0 105 126,-0.7 -1,-0.2 -2,-0.6 2,-0.2 0.740 94.0 122.3 85.3 31.6 37.7 90.0 95.5 15 19 F G < - 0 0 25 -3,-0.6 2,-0.3 167,-0.1 -1,-0.2 -0.413 52.6-124.6-107.6-174.5 39.2 91.6 92.4 16 20 F E E -B 150 0B 89 134,-1.9 134,-1.8 -2,-0.2 2,-0.1 -0.818 37.4 -77.0-128.8 164.2 38.4 95.0 90.9 17 21 F E E -B 149 0B 95 -2,-0.3 132,-0.3 132,-0.2 131,-0.1 -0.426 49.7-128.4 -59.5 134.2 37.2 96.2 87.5 18 22 F A - 0 0 4 130,-3.4 -1,-0.1 -2,-0.1 -8,-0.1 -0.300 29.6 -92.4 -76.0 163.4 40.1 96.2 84.9 19 23 F V > - 0 0 48 1,-0.1 3,-2.3 -10,-0.1 2,-0.5 -0.687 56.7 -94.2 -81.5 131.7 40.9 99.3 82.7 20 24 F P T 3 S- 0 0 76 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.333 106.9 -0.9 -51.1 104.5 38.9 98.9 79.4 21 25 F G T 3 S+ 0 0 18 -2,-0.5 -15,-0.6 45,-0.2 -16,-0.3 0.573 92.7 121.4 89.8 14.1 41.2 97.3 76.9 22 26 F S S < S+ 0 0 1 -3,-2.3 91,-0.1 1,-0.2 -3,-0.0 0.402 75.5 49.0 -83.3 -8.7 44.2 97.0 79.2 23 27 F W > + 0 0 10 -4,-0.2 3,-1.5 90,-0.1 -1,-0.2 -0.716 69.6 171.8-135.9 79.5 44.2 93.2 78.8 24 28 F P T 3 + 0 0 2 0, 0.0 91,-2.9 0, 0.0 87,-0.1 0.478 69.8 58.1 -70.5 -3.4 44.1 92.8 75.1 25 29 F W T 3 S+ 0 0 0 89,-0.2 17,-2.3 91,-0.1 2,-0.4 0.451 77.1 108.4-107.3 -7.1 44.7 89.1 74.9 26 30 F Q E < +J 41 0C 9 -3,-1.5 39,-0.6 15,-0.2 2,-0.3 -0.564 45.3 177.6 -68.5 125.4 41.7 88.2 77.1 27 31 F V E -JK 40 64C 0 13,-2.0 13,-1.5 -2,-0.4 2,-0.4 -0.798 19.8-136.8-119.1 176.0 39.0 86.5 75.0 28 32 F S E -JK 39 63C 0 35,-1.8 35,-2.1 -2,-0.3 2,-0.6 -0.965 8.0-141.2-131.1 136.7 35.7 85.1 76.2 29 33 F L E +JK 38 62C 0 9,-2.5 8,-1.9 -2,-0.4 9,-1.2 -0.923 27.2 174.3 -97.6 123.1 34.2 81.7 75.1 30 34 F Q E -JK 36 61C 23 31,-2.2 31,-2.4 -2,-0.6 6,-0.2 -0.946 25.8-127.6-130.2 146.1 30.4 81.9 74.7 31 35 F D > - 0 0 49 4,-1.5 3,-3.4 -2,-0.3 4,-0.2 -0.396 47.8 -85.0 -79.9 170.2 28.0 79.2 73.3 32 36 F K T 3 S+ 0 0 177 1,-0.3 28,-0.1 27,-0.3 -1,-0.1 0.425 132.3 63.9 -53.9 -10.2 25.5 80.0 70.6 33 37 F T T 3 S- 0 0 115 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.592 116.1-118.0 -89.7 -25.8 23.3 81.3 73.4 34 38 F G < + 0 0 42 -3,-3.4 2,-0.5 1,-0.3 -2,-0.2 0.622 62.8 150.5 94.6 12.1 25.9 84.0 74.1 35 39 F F - 0 0 120 -4,-0.2 -4,-1.5 1,-0.0 2,-0.4 -0.719 43.8-136.4 -80.2 121.3 26.6 82.6 77.6 36 40 F H E +J 30 0C 15 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.645 40.1 153.2 -80.9 124.9 30.1 83.2 78.8 37 41 F F E + 0 0 43 -8,-1.9 149,-0.3 -2,-0.4 2,-0.3 0.440 61.4 18.8-131.2 -16.9 31.4 80.0 80.4 38 42 F b E -J 29 0C 4 -9,-1.2 -9,-2.5 147,-0.1 -1,-0.4 -0.956 60.2-138.1-153.7 165.9 35.2 80.3 80.0 39 43 F G E -J 28 0C 2 149,-3.9 12,-0.5 -2,-0.3 2,-0.3 -0.783 21.3-177.2-122.4 162.5 38.0 82.7 79.2 40 44 F G E -J 27 0C 0 -13,-1.5 -13,-2.0 -2,-0.3 2,-0.4 -0.806 19.8-120.1-147.6-178.5 41.0 82.2 76.8 41 45 F S E -JL 26 49C 2 8,-1.6 8,-2.3 -2,-0.3 2,-0.4 -0.993 17.6-124.0-143.8 134.4 44.2 84.1 75.8 42 46 F L E + L 0 48C 0 -17,-2.3 75,-3.0 -2,-0.4 6,-0.2 -0.557 24.5 176.3 -75.6 120.8 45.3 85.3 72.3 43 47 F I E S- 0 0 20 4,-1.8 2,-0.3 1,-0.5 73,-0.2 0.621 74.4 -29.3 -99.9 -10.1 48.8 84.0 71.5 44 48 F N E > S- L 0 47C 43 3,-0.8 3,-0.8 71,-0.2 -1,-0.5 -0.909 87.1 -68.5 173.1 176.5 48.7 85.5 68.0 45 49 F E T 3 S+ 0 0 87 -2,-0.3 63,-2.6 1,-0.2 3,-0.1 0.394 125.2 38.1 -80.5 18.8 46.0 86.4 65.5 46 50 F N T 3 S+ 0 0 59 1,-0.2 58,-2.9 61,-0.2 2,-0.4 0.421 107.6 53.5-134.0 -12.4 45.0 82.9 64.6 47 51 F W E < -LM 44 103C 9 -3,-0.8 -4,-1.8 56,-0.2 -3,-0.8 -0.998 56.1-160.0-132.8 133.6 45.1 80.7 67.8 48 52 F V E -LM 42 102C 0 54,-3.4 54,-3.2 -2,-0.4 2,-0.4 -0.810 9.5-147.0-110.9 158.9 43.5 81.0 71.2 49 53 F V E +LM 41 101C 3 -8,-2.3 -8,-1.6 -2,-0.3 2,-0.2 -0.989 34.1 139.1-124.2 122.1 44.7 79.2 74.5 50 54 F T E - M 0 100C 0 50,-1.5 50,-1.8 -2,-0.4 2,-0.3 -0.707 53.8 -63.2-141.9-170.5 42.2 78.2 77.1 51 55 F A > - 0 0 0 -12,-0.5 3,-1.6 -2,-0.2 4,-0.4 -0.680 28.5-135.5 -93.7 145.1 41.7 75.1 79.3 52 56 F A G > S+ 0 0 7 -2,-0.3 3,-0.9 1,-0.3 -1,-0.1 0.757 106.1 58.7 -53.8 -39.5 41.0 71.6 78.2 53 57 F H G 3 S+ 0 0 69 1,-0.3 -1,-0.3 2,-0.1 154,-0.1 0.759 84.4 81.1 -71.1 -20.8 38.4 71.1 80.8 54 58 F b G < S- 0 0 19 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.875 89.1-146.6 -53.0 -40.1 36.5 74.1 79.3 55 59 F G < - 0 0 51 -3,-0.9 -2,-0.1 -4,-0.4 -1,-0.1 0.855 21.7-171.7 77.3 38.7 35.2 71.6 76.7 56 60 F V - 0 0 12 -5,-0.3 2,-0.2 -4,-0.1 -1,-0.2 -0.342 4.5-170.5 -66.1 134.5 35.1 74.1 73.8 57 61 F T > - 0 0 74 -2,-0.1 3,-0.5 26,-0.0 24,-0.1 -0.637 37.4-107.2-114.0 177.8 33.4 72.9 70.6 58 62 F T T 3 S+ 0 0 73 -2,-0.2 23,-0.4 1,-0.2 -2,-0.1 0.304 115.4 71.4 -93.1 0.1 33.4 74.7 67.3 59 63 F S T 3 S+ 0 0 69 21,-0.1 -27,-0.3 2,-0.1 -1,-0.2 0.406 88.6 87.4 -90.0 -2.0 29.7 75.6 67.7 60 64 F D S < S- 0 0 21 -3,-0.5 21,-1.1 -29,-0.1 2,-0.4 -0.469 73.3-142.6 -89.0 154.6 31.2 77.9 70.3 61 65 F V E -KN 30 80C 35 -31,-2.4 -31,-2.2 -2,-0.2 2,-0.3 -0.971 5.3-136.5-121.8 139.4 32.5 81.5 69.4 62 66 F V E -KN 29 79C 0 17,-2.7 17,-1.8 -2,-0.4 2,-0.4 -0.752 20.2-157.0 -87.3 143.9 35.6 83.3 70.8 63 67 F V E +KN 28 78C 2 -35,-2.1 -35,-1.8 -2,-0.3 2,-0.3 -0.997 14.0 175.5-132.2 129.1 35.0 87.0 71.7 64 68 F A E +KN 27 77C 0 13,-1.2 13,-3.1 -2,-0.4 -37,-0.1 -0.953 60.2 38.2-129.3 151.3 37.8 89.6 71.8 65 69 F G S S+ 0 0 20 -39,-0.6 -1,-0.1 1,-0.4 -38,-0.1 0.327 84.8 133.1 90.0 -7.0 37.8 93.4 72.4 66 70 F E + 0 0 29 -40,-0.2 -1,-0.4 1,-0.2 -45,-0.2 -0.390 18.9 153.7 -70.4 156.0 35.0 92.9 74.9 67 71 F F S S+ 0 0 19 1,-0.3 81,-0.9 4,-0.1 2,-0.9 0.313 71.8 39.6-139.3 -66.4 35.1 94.5 78.4 68 72 F D B > S-P 147 0D 29 79,-0.3 3,-1.8 1,-0.2 79,-0.4 -0.891 71.6-157.1 -93.6 102.8 31.5 95.0 79.7 69 73 F Q T 3 S+ 0 0 38 77,-8.2 -1,-0.2 -2,-0.9 78,-0.1 0.642 89.2 55.0 -56.4 -15.4 29.8 91.8 78.6 70 74 F G T 3 S+ 0 0 51 76,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.355 82.7 97.6-101.6 3.1 26.5 93.7 78.8 71 75 F S < - 0 0 45 -3,-1.8 3,-0.2 75,-0.2 -4,-0.1 -0.743 48.0-166.8 -98.0 140.4 27.1 96.7 76.5 72 76 F S S S+ 0 0 128 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.471 82.3 68.1-101.1 -10.6 25.8 96.7 73.0 73 77 F S S S+ 0 0 113 2,-0.1 2,-0.6 0, 0.0 -1,-0.2 0.341 75.3 112.0 -93.5 16.3 27.8 99.7 71.8 74 78 F E - 0 0 52 -3,-0.2 2,-2.9 -6,-0.1 -8,-0.0 -0.737 69.9-132.4 -98.9 122.2 31.1 97.9 72.2 75 79 F K + 0 0 205 -2,-0.6 2,-0.1 -10,-0.1 -1,-0.1 -0.313 46.5 164.3 -66.0 65.7 33.2 97.1 69.0 76 80 F I - 0 0 41 -2,-2.9 2,-0.5 -13,-0.0 -11,-0.2 -0.452 35.2-127.4 -86.9 161.1 33.8 93.5 69.9 77 81 F Q E -N 64 0C 44 -13,-3.1 -13,-1.2 -2,-0.1 2,-1.1 -0.911 11.7-156.5-116.6 109.0 35.1 90.8 67.5 78 82 F K E -N 63 0C 145 -2,-0.5 2,-0.3 -15,-0.2 -15,-0.2 -0.604 19.1-169.5 -84.0 93.7 33.1 87.5 67.3 79 83 F L E -N 62 0C 8 -17,-1.8 -17,-2.7 -2,-1.1 2,-0.2 -0.660 14.0-129.7 -88.7 138.1 35.6 84.9 66.0 80 84 F K E -N 61 0C 136 -2,-0.3 25,-2.0 -19,-0.2 2,-0.9 -0.561 19.9-114.8 -90.0 145.7 34.6 81.3 64.8 81 85 F I E +O 104 0C 8 -21,-1.1 23,-0.2 -23,-0.4 3,-0.1 -0.666 28.8 177.5 -85.9 111.7 36.2 78.0 65.9 82 86 F A E - 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