==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEINASE) 01-JUL-94 1GMH . COMPND 2 MOLECULE: GAMMA-CHYMOTRYPSIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.HAREL,J.L.SUSSMAN,I.SILMAN . 237 3 5 3 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 63.7 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 . 74 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 . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 . 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 . 18 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.0 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 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 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 0 106 0, 0.0 116,-0.2 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 169.8 13.7 18.8 23.4 2 2 E G + 0 0 0 114,-2.5 199,-3.8 198,-0.2 115,-0.1 0.561 360.0 109.2 49.2 31.2 13.0 17.8 26.9 3 3 E V - 0 0 103 113,-0.3 -1,-0.1 197,-0.2 113,-0.1 -0.846 58.4-147.8-132.1 89.9 9.2 17.8 26.8 4 4 E P - 0 0 20 0, 0.0 109,-0.1 0, 0.0 18,-0.1 -0.178 12.0-143.0 -58.4 143.9 7.7 14.3 27.0 5 5 E A S S+ 0 0 65 107,-0.6 2,-0.6 16,-0.2 108,-0.1 0.821 99.7 51.2 -77.3 -28.5 4.5 13.6 25.1 6 6 E I S S- 0 0 39 106,-0.5 -1,-0.2 15,-0.4 13,-0.1 -0.947 99.1-127.2-111.9 114.6 3.6 11.3 28.1 7 7 E Q - 0 0 159 -2,-0.6 15,-0.1 1,-0.1 16,-0.1 -0.469 16.6-125.5 -72.5 126.1 4.0 13.2 31.3 8 8 E P - 0 0 15 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.320 16.9-148.1 -64.4 149.5 6.2 11.7 34.0 9 9 E V 0 0 98 10,-0.0 10,-0.2 0, 0.0 13,-0.1 -0.989 360.0 360.0-123.3 114.2 4.4 11.3 37.4 10 10 E L 0 0 98 -2,-0.5 8,-0.0 8,-0.1 123,-0.0 -0.701 360.0 360.0-100.2 360.0 6.9 11.6 40.3 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,-0.5 0.000 360.0 360.0 360.0 127.9 18.0 2.4 41.3 13 17 F V B 3 +A 183 0A 18 170,-2.8 170,-1.4 1,-0.2 128,-0.1 -0.813 360.0 7.2 -91.8 129.2 17.5 1.5 44.9 14 18 F N T 3 S+ 0 0 104 126,-0.6 -1,-0.2 -2,-0.5 126,-0.1 0.609 99.6 132.5 74.9 17.2 14.3 2.8 46.5 15 19 F G < - 0 0 26 -3,-0.6 2,-0.3 168,-0.1 137,-0.2 -0.082 50.3-124.0 -84.4-170.2 13.0 4.1 43.2 16 20 F E E -B 151 0B 93 135,-2.5 135,-3.0 -3,-0.1 2,-0.1 -0.958 28.9 -92.9-138.1 150.6 9.6 3.6 41.8 17 21 F E E -B 150 0B 89 -2,-0.3 133,-0.3 133,-0.2 2,-0.1 -0.479 48.2-129.0 -62.9 135.0 8.3 2.2 38.5 18 22 F A - 0 0 4 131,-2.9 -1,-0.1 -2,-0.1 131,-0.1 -0.388 24.6 -90.9 -87.1 166.5 7.9 5.0 35.9 19 23 F V > - 0 0 53 -10,-0.2 3,-2.6 -2,-0.1 4,-0.3 -0.642 60.1 -97.9 -75.1 126.5 4.9 5.8 33.7 20 24 F P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.260 104.7 3.1 -51.8 126.7 5.5 3.8 30.5 21 25 F G T 3 S+ 0 0 16 45,-0.2 -15,-0.4 2,-0.1 -16,-0.2 0.449 91.3 119.9 74.3 9.5 7.1 6.1 28.0 22 26 F S S < S+ 0 0 0 -3,-2.6 3,-0.1 1,-0.2 -1,-0.1 0.499 74.4 51.7 -83.1 -4.1 7.4 9.2 30.2 23 27 F W S > S+ 0 0 7 -4,-0.3 3,-1.1 1,-0.1 -1,-0.2 -0.679 70.6 172.2-130.0 67.4 11.2 9.3 29.8 24 28 F P T 3 S+ 0 0 3 0, 0.0 91,-0.7 0, 0.0 41,-0.3 0.616 71.8 55.9 -59.3 -17.9 11.3 9.1 26.0 25 29 F W T 3 S+ 0 0 0 89,-0.2 17,-1.5 91,-0.1 2,-0.1 0.718 80.3 109.4 -88.7 -23.5 15.1 9.8 25.8 26 30 F Q E < -J 41 0C 5 -3,-1.1 39,-0.4 15,-0.2 40,-0.4 -0.312 47.9-178.2 -60.1 121.0 16.0 6.9 28.1 27 31 F V E -J 40 0C 0 13,-2.6 13,-1.3 -2,-0.1 2,-0.4 -0.764 21.7-132.0-116.8 166.7 17.7 4.1 26.2 28 32 F S E -JK 39 63C 0 35,-1.9 35,-2.6 -2,-0.3 2,-0.6 -0.987 11.0-145.5-119.7 128.1 19.0 0.7 27.2 29 33 F L E +JK 38 62C 0 9,-3.1 8,-2.9 -2,-0.4 9,-1.0 -0.860 27.0 179.5 -93.5 123.6 22.5 -0.6 26.1 30 34 F Q E -JK 36 61C 21 31,-2.6 31,-3.6 -2,-0.6 6,-0.2 -0.972 21.6-132.7-127.7 145.3 22.3 -4.3 25.5 31 35 F D > - 0 0 48 4,-1.8 3,-1.6 -2,-0.4 29,-0.1 -0.150 45.8 -84.0 -81.7 179.6 25.1 -6.7 24.4 32 36 F K T 3 S+ 0 0 176 1,-0.3 28,-0.1 2,-0.1 -1,-0.1 0.626 128.0 58.9 -57.0 -28.1 24.6 -9.3 21.6 33 37 F T T 3 S- 0 0 118 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.551 120.9-103.1 -86.0 -9.9 23.0 -11.7 24.0 34 38 F G S < S+ 0 0 49 -3,-1.6 2,-0.5 1,-0.3 -2,-0.1 0.556 71.4 149.4 98.0 11.2 20.2 -9.3 25.0 35 39 F F - 0 0 130 1,-0.0 -4,-1.8 2,-0.0 2,-0.3 -0.687 45.0-135.3 -83.5 121.7 21.8 -8.4 28.4 36 40 F H E +J 30 0C 18 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.610 37.1 158.9 -75.7 126.8 21.1 -4.9 29.6 37 41 F F E + 0 0 43 -8,-2.9 2,-0.3 1,-0.4 150,-0.3 0.594 55.8 3.8-125.8 -17.7 24.4 -3.4 30.9 38 42 F b E -J 29 0C 7 -9,-1.0 -9,-3.1 150,-0.1 -1,-0.4 -0.988 63.3-117.9-161.2 162.8 24.1 0.4 30.9 39 43 F G E -J 28 0C 1 150,-4.5 12,-0.4 -2,-0.3 2,-0.3 -0.541 27.5-177.8 -99.9 174.3 21.7 3.3 30.3 40 44 F G E -J 27 0C 0 -13,-1.3 -13,-2.6 -2,-0.2 2,-0.4 -0.920 17.4-133.7-160.2 171.6 21.9 6.1 27.6 41 45 F S E -JL 26 49C 2 8,-1.7 8,-2.5 -2,-0.3 2,-0.3 -0.992 17.1-128.2-139.8 132.5 20.0 9.2 26.5 42 46 F L E + L 0 48C 0 -17,-1.5 75,-2.3 -2,-0.4 6,-0.2 -0.631 22.5 178.6 -77.8 134.7 19.0 10.3 23.0 43 47 F I E S- 0 0 20 4,-2.1 2,-0.3 1,-0.6 5,-0.1 0.330 75.1 -18.2-113.1 -6.1 20.1 13.9 22.3 44 48 F N E > S- L 0 47C 44 3,-0.9 3,-0.9 71,-0.1 -1,-0.6 -0.878 90.1 -73.8 177.0 175.1 18.8 13.8 18.8 45 49 F E T 3 S+ 0 0 62 -2,-0.3 63,-3.2 1,-0.2 3,-0.1 0.508 126.2 35.9 -61.7 -23.7 17.8 11.1 16.3 46 50 F N T 3 S+ 0 0 69 61,-0.2 58,-2.0 1,-0.1 2,-0.4 0.375 108.8 64.5-116.8 1.2 21.3 10.0 15.5 47 51 F W E < -LM 44 103C 13 -3,-0.9 -4,-2.1 56,-0.2 -3,-0.9 -0.997 49.1-171.1-139.5 143.9 23.2 10.3 18.7 48 52 F V E -LM 42 102C 0 54,-2.2 54,-3.1 -2,-0.4 2,-0.5 -0.938 14.8-146.4-129.8 134.3 23.2 8.8 22.2 49 53 F V E +LM 41 101C 3 -8,-2.5 -8,-1.7 -2,-0.3 2,-0.3 -0.928 32.7 146.9-108.8 135.5 25.2 10.0 25.2 50 54 F T E - M 0 100C 0 50,-3.0 50,-3.1 -2,-0.5 2,-0.4 -0.817 48.6 -64.6-150.6-174.2 26.5 7.5 27.7 51 55 F A > - 0 0 1 -12,-0.4 3,-1.5 48,-0.3 5,-0.3 -0.698 29.4-140.9 -89.4 132.9 29.3 6.7 30.1 52 56 F A G > S+ 0 0 5 -2,-0.4 3,-1.8 1,-0.3 4,-0.2 0.887 102.6 60.8 -56.1 -44.8 32.8 6.1 28.8 53 57 F H G 3 S+ 0 0 72 1,-0.3 -1,-0.3 2,-0.1 155,-0.0 0.646 80.9 82.1 -64.1 -13.0 33.2 3.4 31.4 54 58 F b G < S- 0 0 15 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.680 89.9-144.3 -63.9 -16.1 30.3 1.4 30.0 55 59 F G < - 0 0 55 -3,-1.8 -2,-0.1 -4,-0.2 -3,-0.1 0.857 25.3-173.2 54.1 44.9 32.8 0.1 27.4 56 60 F V - 0 0 13 -5,-0.3 2,-0.2 -4,-0.2 -1,-0.2 -0.423 5.0-171.1 -68.9 142.8 30.4 0.0 24.6 57 61 F T > - 0 0 70 -2,-0.1 3,-1.0 26,-0.0 26,-0.1 -0.649 41.1 -99.6-121.7 178.5 31.5 -1.5 21.3 58 62 F T T 3 S+ 0 0 88 1,-0.2 23,-0.5 -2,-0.2 -2,-0.1 0.514 119.0 68.2 -78.4 -11.7 29.9 -1.6 17.8 59 63 F S T 3 S+ 0 0 73 21,-0.1 -1,-0.2 2,-0.1 2,-0.2 0.541 87.6 86.5 -83.1 -12.5 28.7 -5.1 18.6 60 64 F D S < S- 0 0 22 -3,-1.0 21,-0.5 -29,-0.1 2,-0.3 -0.487 73.3-133.6 -84.4 159.8 26.4 -3.7 21.3 61 65 F V E -KN 30 80C 35 -31,-3.6 -31,-2.6 -2,-0.2 2,-0.5 -0.875 1.3-138.8-120.6 147.3 22.8 -2.5 20.5 62 66 F V E -KN 29 79C 0 17,-2.9 17,-3.4 -2,-0.3 2,-0.5 -0.912 20.1-158.9 -98.8 133.1 20.9 0.7 21.6 63 67 F V E -KN 28 78C 0 -35,-2.6 -35,-1.9 -2,-0.5 3,-0.3 -0.953 12.0-176.3-120.3 116.8 17.3 -0.0 22.5 64 68 F A E + N 0 77C 1 13,-2.8 13,-2.1 -2,-0.5 -37,-0.1 -0.689 58.2 26.9-110.5 161.6 14.8 2.8 22.4 65 69 F G S S+ 0 0 17 -39,-0.4 2,-0.3 48,-0.4 -1,-0.2 0.712 84.1 142.5 65.2 24.7 11.1 3.2 23.3 66 70 F E + 0 0 22 -40,-0.4 -1,-0.2 -3,-0.3 -45,-0.2 -0.688 21.0 158.0 -99.0 149.2 11.3 0.4 25.9 67 71 F F S S+ 0 0 19 -2,-0.3 82,-1.4 1,-0.2 2,-0.7 0.539 73.2 33.6-126.0 -63.6 9.5 0.2 29.3 68 72 F D B > -P 148 0D 36 80,-0.2 3,-1.1 1,-0.1 80,-0.3 -0.896 59.2-164.5-106.2 105.7 9.3 -3.5 30.3 69 73 F Q T 3 S+ 0 0 50 78,-3.4 79,-0.1 -2,-0.7 -1,-0.1 0.538 90.4 62.5 -65.6 -7.0 12.3 -5.6 29.2 70 74 F G T 3 S+ 0 0 44 77,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.786 86.5 88.5 -86.9 -34.6 10.1 -8.6 30.0 71 75 F S < - 0 0 43 -3,-1.1 -4,-0.1 1,-0.1 3,-0.0 -0.291 50.1-169.8 -74.3 149.1 7.4 -7.9 27.4 72 76 F S S S+ 0 0 124 1,-0.1 -1,-0.1 -2,-0.1 -3,-0.0 0.358 81.4 67.6-113.6 -2.3 7.5 -9.0 23.9 73 77 F S S S+ 0 0 109 2,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.362 72.9 106.0-101.8 1.9 4.5 -6.9 22.8 74 78 F E S S- 0 0 55 -6,-0.2 2,-1.2 1,-0.1 -8,-0.1 -0.606 73.9-123.6 -84.6 150.0 6.1 -3.5 23.1 75 79 F K + 0 0 195 -2,-0.2 2,-0.2 -10,-0.1 -1,-0.1 -0.707 46.9 167.7 -93.0 81.9 7.1 -1.6 19.9 76 80 F I - 0 0 48 -2,-1.2 2,-0.5 -13,-0.0 -11,-0.2 -0.516 32.9-130.3 -95.9 162.1 10.8 -1.0 20.6 77 81 F Q E -N 64 0C 39 -13,-2.1 -13,-2.8 -2,-0.2 2,-0.7 -0.981 11.5-158.4-115.2 122.0 13.5 0.2 18.2 78 82 F K E -N 63 0C 145 -2,-0.5 2,-0.5 -15,-0.2 -15,-0.2 -0.925 19.4-166.8-103.1 109.9 16.8 -1.9 18.2 79 83 F L E -N 62 0C 5 -17,-3.4 -17,-2.9 -2,-0.7 2,-0.1 -0.891 13.4-134.5-106.9 130.7 19.4 0.5 16.8 80 84 F K E -N 61 0C 142 -2,-0.5 25,-1.9 -19,-0.2 26,-0.5 -0.416 21.7-120.7 -76.9 155.1 22.8 -0.5 15.6 81 85 F I E -O 104 0C 9 -21,-0.5 23,-0.3 -23,-0.5 3,-0.1 -0.881 23.7-176.5-101.6 126.5 25.9 1.5 16.6 82 86 F A E - 0 0 38 21,-3.2 2,-0.3 -2,-0.5 22,-0.2 0.851 68.7 -1.1 -86.8 -41.3 27.9 3.1 13.8 83 87 F K E -O 103 0C 76 20,-1.7 20,-2.6 -26,-0.1 2,-0.5 -0.993 56.2-137.4-154.1 151.1 30.7 4.6 15.9 84 88 F V E -O 102 0C 55 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.958 16.0-168.4-113.5 118.3 31.9 5.0 19.5 85 89 F F E -O 101 0C 48 16,-3.4 16,-2.6 -2,-0.5 2,-0.4 -0.823 4.2-171.2-112.1 92.6 33.3 8.4 20.5 86 90 F K E -O 100 0C 125 -2,-0.7 14,-0.2 14,-0.2 2,-0.2 -0.659 34.5-110.0 -82.8 131.2 35.1 8.2 23.8 87 91 F N > - 0 0 3 12,-2.0 3,-1.9 -2,-0.4 12,-0.1 -0.455 20.7-138.9 -61.6 127.2 36.0 11.7 25.2 88 92 F S T 3 S+ 0 0 112 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.0 0.651 101.9 63.5 -64.7 -14.3 39.8 11.9 24.9 89 93 F K T 3 S+ 0 0 128 8,-0.1 -1,-0.3 2,-0.1 7,-0.1 0.627 74.7 120.3 -83.3 -13.2 39.8 13.6 28.3 90 94 F Y < - 0 0 44 -3,-1.9 2,-0.6 9,-0.2 7,-0.2 -0.361 47.7-164.3 -58.5 122.2 38.3 10.5 29.9 91 95 F N B >> -Q 96 0E 67 5,-1.9 4,-2.0 1,-0.1 5,-1.4 -0.961 7.1-168.0-115.9 100.8 40.7 9.3 32.6 92 96 F S T 45S+ 0 0 75 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.1 0.632 85.7 61.9 -63.8 -19.0 39.7 5.7 33.4 93 97 F L T 45S+ 0 0 151 1,-0.2 -1,-0.2 3,-0.1 -3,-0.0 0.865 121.5 20.2 -75.3 -41.1 42.0 5.9 36.5 94 98 F T T 45S- 0 0 55 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.469 99.1-128.7-105.2 -6.1 40.0 8.7 38.1 95 99 F I T ><5 + 0 0 50 -4,-2.0 3,-0.5 1,-0.2 2,-0.3 0.816 54.8 156.4 59.1 33.0 36.9 8.1 36.1 96 100 F N B 3 < +Q 91 0E 26 -5,-1.4 -5,-1.9 1,-0.2 -1,-0.2 -0.671 58.3 16.0 -90.9 148.8 36.9 11.8 35.3 97 101 F N T 3 S- 0 0 16 -2,-0.3 2,-1.8 1,-0.2 -1,-0.2 0.895 80.1-174.8 57.2 47.4 35.1 13.1 32.2 98 102 F D < + 0 0 1 -3,-0.5 2,-0.4 75,-0.2 125,-0.2 -0.550 31.0 124.3 -75.9 73.4 33.2 9.9 32.0 99 103 F I - 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