==== 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/HYDROLASE INHIBITOR 06-APR-94 1GHB . COMPND 2 MOLECULE: GAMMA-CHYMOTRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR H.P.YENNAWAR,N.H.YENNAWAR,G.K.FARBER . 240 5 5 3 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10319.0 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 . 22 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.2 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 0 0 0 0 1 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,-0.2 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 172.1 53.5 90.4 72.7 2 2 E G + 0 0 1 114,-2.1 198,-2.5 197,-0.2 115,-0.1 0.370 360.0 98.7 65.6 0.6 52.8 91.2 76.3 3 3 E V - 0 0 98 113,-0.3 -1,-0.1 196,-0.2 113,-0.1 -0.768 61.9-152.2-124.0 86.6 52.7 95.0 76.1 4 4 E P - 0 0 3 0, 0.0 18,-0.1 0, 0.0 109,-0.1 -0.088 16.9-136.5 -55.8 149.5 49.1 96.4 75.8 5 5 E A S S+ 0 0 48 107,-0.5 2,-0.5 16,-0.2 108,-0.1 0.870 102.4 50.6 -73.4 -37.8 48.3 99.7 74.1 6 6 E I S S- 0 0 52 106,-0.6 -1,-0.1 15,-0.5 13,-0.1 -0.890 99.0-130.3 -96.8 127.3 46.0 100.6 77.0 7 7 E Q - 0 0 118 -2,-0.5 15,-0.2 1,-0.1 16,-0.1 -0.606 14.3-117.0 -89.9 137.7 48.0 100.2 80.2 8 8 E P - 0 0 27 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.303 20.8-159.8 -64.2 156.1 46.7 98.2 83.2 9 9 E V 0 0 98 10,-0.0 10,-0.1 -2,-0.0 13,-0.0 -0.986 360.0 360.0-140.0 117.6 46.2 99.9 86.6 10 10 E L 0 0 109 -2,-0.4 8,-0.0 8,-0.1 141,-0.0 -0.946 360.0 360.0-107.3 360.0 46.2 97.7 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 2,-0.6 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 119.1 37.3 86.8 90.7 13 17 F V B 3 +A 182 0A 27 169,-3.0 169,-1.4 1,-0.2 128,-0.2 -0.888 360.0 6.6 -88.8 120.4 36.0 86.9 94.2 14 18 F N T 3 S+ 0 0 110 126,-0.8 -1,-0.2 -2,-0.6 2,-0.1 0.748 101.9 133.7 78.5 28.2 37.3 90.2 95.7 15 19 F G < - 0 0 22 -3,-0.6 2,-0.3 125,-0.1 136,-0.2 -0.220 50.6-113.0 -95.2-170.2 38.8 91.5 92.5 16 20 F E E -B 150 0B 71 134,-3.0 134,-2.4 -2,-0.1 2,-0.3 -0.904 30.9 -95.6-127.1 157.5 38.7 94.9 90.9 17 21 F E E -B 149 0B 109 -2,-0.3 132,-0.3 132,-0.3 131,-0.1 -0.520 46.6-128.5 -71.8 125.0 37.1 96.2 87.7 18 22 F A - 0 0 4 130,-3.4 -1,-0.1 -2,-0.3 -8,-0.1 -0.252 23.1-100.1 -73.0 163.2 39.8 96.2 84.9 19 23 F V > - 0 0 50 -10,-0.1 3,-1.8 1,-0.1 4,-0.4 -0.718 50.7 -97.2 -83.7 131.2 40.6 99.2 82.8 20 24 F P T 3 S+ 0 0 74 0, 0.0 47,-0.1 0, 0.0 -1,-0.1 -0.317 105.9 4.3 -52.7 125.0 38.9 98.9 79.3 21 25 F G T 3 S+ 0 0 16 45,-0.2 -15,-0.5 2,-0.1 -16,-0.2 0.229 97.5 112.8 83.9 -11.7 41.3 97.5 76.7 22 26 F S S < S+ 0 0 0 -3,-1.8 -1,-0.1 1,-0.3 91,-0.0 0.701 75.1 48.4 -68.9 -22.5 44.1 97.0 79.2 23 27 F W S > S+ 0 0 8 -4,-0.4 3,-1.9 1,-0.1 -1,-0.3 -0.526 72.1 172.4-118.2 69.7 44.0 93.2 79.0 24 28 F P T 3 S+ 0 0 3 0, 0.0 91,-0.5 0, 0.0 41,-0.4 0.699 70.5 52.9 -42.4 -47.5 44.0 92.8 75.2 25 29 F W T 3 S+ 0 0 0 89,-0.2 17,-1.7 39,-0.1 2,-0.2 0.618 81.1 109.6 -73.4 -16.3 44.5 89.0 75.0 26 30 F Q E < +J 41 0C 5 -3,-1.9 39,-0.5 15,-0.2 40,-0.4 -0.485 46.2 176.3 -68.2 126.6 41.6 88.2 77.2 27 31 F V E -JK 40 64C 0 13,-1.5 13,-0.9 -2,-0.2 2,-0.4 -0.878 25.4-128.0-127.1 159.8 38.7 86.7 75.2 28 32 F S E -JK 39 63C 0 35,-1.9 35,-2.5 -2,-0.3 2,-0.5 -0.926 13.1-146.9-112.8 129.4 35.3 85.3 76.3 29 33 F L E +JK 38 62C 0 9,-2.9 8,-1.8 -2,-0.4 9,-1.1 -0.901 27.2 171.7 -97.9 127.6 34.2 81.9 75.2 30 34 F Q E -JK 36 61C 28 31,-2.0 31,-2.9 -2,-0.5 6,-0.2 -0.996 27.6-130.4-137.3 143.1 30.4 81.7 74.7 31 35 F D > - 0 0 46 4,-1.8 3,-1.6 -2,-0.3 29,-0.1 -0.114 48.2 -85.6 -76.4-174.6 28.1 79.1 73.3 32 36 F K T 3 S+ 0 0 173 1,-0.3 -1,-0.1 2,-0.1 28,-0.1 0.391 125.2 69.2 -78.5 9.6 25.4 80.0 70.7 33 37 F T T 3 S- 0 0 120 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.512 116.5-110.4 -98.4 -10.1 23.1 81.0 73.5 34 38 F G S < S+ 0 0 46 -3,-1.6 2,-0.2 1,-0.3 -2,-0.1 0.176 71.8 142.5 98.2 -12.7 25.3 84.0 74.3 35 39 F F - 0 0 122 1,-0.1 -4,-1.8 -5,-0.1 2,-0.6 -0.432 47.9-138.4 -70.5 126.4 26.4 82.5 77.6 36 40 F H E +J 30 0C 11 -2,-0.2 -6,-0.3 -6,-0.2 3,-0.1 -0.735 33.4 160.2 -83.9 115.3 30.0 83.0 78.7 37 41 F F E + 0 0 44 -8,-1.8 2,-0.3 -2,-0.6 149,-0.2 0.752 61.2 10.5-107.5 -30.2 31.3 79.8 80.2 38 42 F b E -J 29 0C 7 -9,-1.1 -9,-2.9 149,-0.1 -1,-0.3 -0.870 62.7-129.4-144.8 168.7 35.0 80.2 80.0 39 43 F G E -J 28 0C 1 149,-3.2 12,-0.3 -2,-0.3 2,-0.3 -0.361 25.8-179.9-106.3-170.1 37.8 82.7 79.4 40 44 F G E -J 27 0C 0 -13,-0.9 -13,-1.5 -2,-0.1 2,-0.3 -0.973 19.9-120.5-176.8 179.0 40.8 82.5 77.1 41 45 F S E -JL 26 49C 1 8,-1.8 8,-2.9 -2,-0.3 2,-0.5 -0.986 17.0-129.3-148.2 130.4 43.9 84.2 75.7 42 46 F L E + L 0 48C 0 -17,-1.7 75,-2.1 73,-0.3 6,-0.2 -0.657 22.1 177.3 -78.0 121.4 45.0 85.2 72.3 43 47 F I E S- 0 0 16 4,-2.2 2,-0.2 -2,-0.5 -1,-0.2 0.503 75.4 -21.6 -99.8 -12.8 48.6 83.9 71.7 44 48 F N E > S- L 0 47C 36 3,-1.0 3,-1.0 71,-0.1 -1,-0.5 -0.918 89.0 -71.3-179.8 173.4 48.5 85.3 68.2 45 49 F E T 3 S+ 0 0 89 -2,-0.2 63,-3.2 1,-0.2 3,-0.1 0.553 127.5 31.6 -62.8 -4.8 45.8 86.3 65.6 46 50 F N T 3 S+ 0 0 49 61,-0.2 58,-2.8 1,-0.1 2,-0.4 0.362 109.7 70.0-131.2 0.5 44.6 82.8 64.7 47 51 F W E < -LM 44 103C 9 -3,-1.0 -4,-2.2 56,-0.2 -3,-1.0 -0.980 50.3-173.1-134.8 133.7 45.1 80.9 68.0 48 52 F V E -LM 42 102C 0 54,-2.1 54,-2.2 -2,-0.4 2,-0.5 -0.953 12.9-149.2-124.5 129.6 43.4 81.0 71.4 49 53 F V E +LM 41 101C 3 -8,-2.9 -8,-1.8 -2,-0.4 2,-0.2 -0.870 31.3 146.2-100.0 132.4 44.5 79.1 74.5 50 54 F T E - M 0 100C 0 50,-2.4 50,-2.5 -2,-0.5 2,-0.3 -0.706 51.1 -67.7-144.9-172.8 41.9 78.0 77.0 51 55 F A > - 0 0 0 -12,-0.3 3,-1.1 48,-0.3 5,-0.4 -0.725 28.0-137.9 -90.8 141.4 41.4 75.1 79.4 52 56 F A G > S+ 0 0 8 -2,-0.3 3,-1.6 1,-0.2 4,-0.1 0.881 104.9 60.6 -62.6 -36.8 40.8 71.5 78.2 53 57 F H G 3 S+ 0 0 46 1,-0.3 -1,-0.2 2,-0.1 189,-0.1 0.624 85.1 78.8 -67.5 -14.8 38.1 71.1 80.9 54 58 F b G < S- 0 0 18 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.778 93.3-141.3 -63.6 -28.9 36.2 74.0 79.4 55 59 F G < - 0 0 52 -3,-1.6 2,-0.2 -4,-0.3 -2,-0.1 0.856 23.0-167.2 70.0 41.8 34.9 71.5 76.7 56 60 F V - 0 0 11 -5,-0.4 -1,-0.2 -4,-0.1 2,-0.1 -0.387 8.6-179.7 -70.2 125.6 35.1 73.9 73.7 57 61 F T - 0 0 70 -2,-0.2 3,-0.3 26,-0.0 24,-0.1 -0.388 42.8-103.0-105.2-170.3 33.3 72.7 70.5 58 62 F T S S+ 0 0 84 1,-0.2 23,-0.2 -2,-0.1 -2,-0.1 0.309 115.5 70.1 -99.4 5.3 33.1 74.5 67.1 59 63 F S S S+ 0 0 66 21,-0.1 -1,-0.2 2,-0.1 2,-0.2 0.521 89.7 85.2 -89.2 -15.5 29.4 75.6 67.8 60 64 F D S S- 0 0 19 -3,-0.3 21,-0.8 -29,-0.1 2,-0.3 -0.504 72.9-141.6 -83.3 158.2 31.1 77.9 70.4 61 65 F V E -KN 30 80C 34 -31,-2.9 -31,-2.0 -2,-0.2 2,-0.5 -0.913 6.1-133.5-127.2 149.2 32.5 81.4 69.5 62 66 F V E -KN 29 79C 0 17,-3.4 17,-4.0 -2,-0.3 2,-0.6 -0.882 20.0-159.8 -98.4 126.8 35.5 83.4 70.7 63 67 F V E +KN 28 78C 1 -35,-2.5 -35,-1.9 -2,-0.5 3,-0.3 -0.905 13.2 178.6-114.8 108.2 34.8 87.0 71.6 64 68 F A E +KN 27 77C 0 13,-2.2 13,-3.0 -2,-0.6 -37,-0.1 -0.733 57.3 38.6-104.1 158.1 37.7 89.5 71.6 65 69 F G S S+ 0 0 17 -39,-0.5 2,-0.3 -41,-0.4 -1,-0.2 0.812 83.8 137.7 75.6 35.9 37.8 93.2 72.3 66 70 F E + 0 0 25 -40,-0.4 -1,-0.3 -3,-0.3 -45,-0.2 -0.843 21.5 149.8-120.3 147.6 35.3 93.1 75.1 67 71 F F S S+ 0 0 22 -2,-0.3 81,-1.4 1,-0.2 2,-0.7 0.457 75.7 43.6-132.5 -56.1 35.1 94.7 78.5 68 72 F D B > -P 147 0D 29 79,-0.2 3,-1.7 1,-0.1 79,-0.3 -0.862 61.3-166.0-104.1 107.1 31.4 95.1 79.3 69 73 F Q T 3 S+ 0 0 50 77,-3.7 -1,-0.1 -2,-0.7 78,-0.1 0.728 91.0 51.9 -60.6 -25.9 29.3 92.0 78.4 70 74 F G T 3 S+ 0 0 58 76,-0.1 2,-0.7 2,-0.0 -1,-0.3 0.231 87.7 100.1 -95.7 12.2 26.1 94.0 78.7 71 75 F S X - 0 0 36 -3,-1.7 3,-0.6 75,-0.2 -4,-0.1 -0.884 46.4-175.5-105.7 114.3 27.2 96.8 76.4 72 76 F S T 3 S+ 0 0 129 -2,-0.7 -1,-0.1 1,-0.2 -3,-0.0 0.584 77.9 67.9 -80.1 -12.7 25.9 96.6 72.8 73 77 F S T 3 S+ 0 0 108 2,-0.1 -1,-0.2 0, 0.0 2,-0.1 0.627 75.4 112.4 -82.5 -13.9 27.9 99.6 71.5 74 78 F E S < S- 0 0 49 -3,-0.6 2,-1.6 -6,-0.2 -8,-0.1 -0.341 72.1-128.8 -67.4 140.6 31.2 97.8 71.9 75 79 F K + 0 0 199 -10,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.407 46.8 169.6 -85.3 59.0 33.3 96.9 68.8 76 80 F I - 0 0 52 -2,-1.6 2,-0.6 1,-0.1 -11,-0.2 -0.241 32.2-130.0 -70.5 161.8 33.7 93.3 69.8 77 81 F Q E -N 64 0C 43 -13,-3.0 -13,-2.2 2,-0.0 2,-1.0 -0.918 11.8-157.3-120.0 105.3 35.1 90.6 67.5 78 82 F K E -N 63 0C 145 -2,-0.6 2,-0.5 -15,-0.2 -15,-0.2 -0.721 18.6-165.5 -85.2 104.4 33.0 87.4 67.2 79 83 F L E -N 62 0C 7 -17,-4.0 -17,-3.4 -2,-1.0 2,-0.3 -0.822 12.2-137.3 -99.3 126.7 35.5 84.7 66.1 80 84 F K E -N 61 0C 141 -2,-0.5 25,-2.8 -19,-0.2 26,-1.1 -0.589 18.4-127.8 -81.0 135.9 34.5 81.3 64.8 81 85 F I E -O 104 0C 9 -21,-0.8 23,-0.3 -2,-0.3 3,-0.1 -0.704 22.7-178.2 -84.2 124.2 36.5 78.2 65.9 82 86 F A E + 0 0 43 21,-3.4 2,-0.4 -2,-0.4 22,-0.2 0.921 68.6 3.1 -86.8 -53.4 37.8 76.0 63.1 83 87 F K E -O 103 0C 115 20,-1.3 20,-2.9 -26,-0.1 2,-0.5 -0.966 57.6-140.9-139.2 146.4 39.4 73.3 65.2 84 88 F V E -O 102 0C 48 -2,-0.4 2,-0.8 18,-0.2 18,-0.2 -0.895 14.6-166.5-104.1 120.5 39.8 72.3 68.9 85 89 F F E -O 101 0C 26 16,-3.1 16,-2.6 -2,-0.5 2,-0.2 -0.847 8.0-168.8-110.3 89.7 43.2 70.9 69.8 86 90 F K E -O 100 0C 132 -2,-0.8 2,-0.6 14,-0.2 14,-0.2 -0.583 32.6-108.3 -75.9 140.0 42.9 69.3 73.2 87 91 F N > - 0 0 4 12,-1.3 3,-2.1 -2,-0.2 12,-0.1 -0.634 23.2-145.9 -69.2 119.2 46.3 68.3 74.8 88 92 F S T 3 S+ 0 0 108 -2,-0.6 -1,-0.2 1,-0.3 -2,-0.0 0.628 97.6 63.1 -65.4 -9.9 46.3 64.5 74.6 89 93 F K T 3 S+ 0 0 146 8,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.233 78.5 123.3 -93.2 8.8 48.2 64.3 77.9 90 94 F Y < - 0 0 38 -3,-2.1 2,-0.7 9,-0.1 7,-0.2 -0.582 52.4-153.2 -74.1 131.3 45.1 66.0 79.5 91 95 F N B >> -Q 96 0E 64 5,-3.0 4,-3.2 -2,-0.3 5,-1.1 -0.896 12.2-169.5-113.2 107.5 43.8 63.9 82.3 92 96 F S T 45S+ 0 0 76 -2,-0.7 -1,-0.1 1,-0.2 -2,-0.0 0.731 88.5 53.1 -61.7 -28.5 40.0 64.3 82.9 93 97 F L T 45S+ 0 0 158 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.880 124.5 22.8 -79.7 -39.1 40.3 62.4 86.2 94 98 F T T 45S- 0 0 51 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.684 98.8-129.6 -98.4 -17.1 43.1 64.4 87.7 95 99 F I T <5 + 0 0 38 -4,-3.2 3,-0.4 1,-0.3 2,-0.3 0.823 56.4 151.6 67.7 36.6 42.4 67.5 85.6 96 100 F N B < +Q 91 0E 23 -5,-1.1 -5,-3.0 1,-0.2 -1,-0.3 -0.717 53.5 24.9 -98.9 151.7 46.1 67.6 84.8 97 101 F N S S+ 0 0 36 75,-0.4 2,-1.9 -2,-0.3 -10,-0.2 0.847 78.3 178.6 60.6 42.7 47.6 69.0 81.6 98 102 F D + 0 0 1 -3,-0.4 2,-0.4 74,-0.3 124,-0.2 -0.423 29.5 116.1 -79.1 71.2 44.5 71.2 81.3 99 103 F I - 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