==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-OCT-00 1G3C . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR E.TOYOTA,K.K.S.NG,H.SEKIZAKI,K.ITOH,K.TANIZAWA,M.N.G.JAMES . 225 3 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9283.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 59.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 30.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 1 0 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 . 3 2 2 5 2 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 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 16 A I 0 0 3 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 128.9 52.9 -3.6 25.5 2 17 A V B +A 171 0A 11 169,-3.1 169,-1.9 1,-0.2 123,-0.1 -0.878 360.0 5.1-105.2 131.9 52.7 -7.2 24.3 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.713 102.2 122.5 72.9 21.2 54.9 -8.4 21.4 4 19 A G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.086 54.4-117.7 -98.4-160.3 56.7 -5.1 21.1 5 20 A Y E -B 137 0B 110 132,-2.4 132,-3.4 -3,-0.1 2,-0.5 -0.934 34.8 -85.0-139.7 161.9 60.3 -4.0 21.3 6 21 A T E -B 136 0B 71 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.560 36.0-151.7 -69.9 119.1 62.5 -1.7 23.4 7 22 A a - 0 0 18 128,-1.8 -1,-0.2 -2,-0.5 129,-0.1 0.905 36.3-115.0 -57.8 -47.1 62.0 1.8 22.0 8 23 A G > - 0 0 25 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.023 47.2 -52.8 113.8 140.4 65.4 3.0 23.0 9 24 A A T 3 S- 0 0 59 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.180 118.9 -13.1 -50.7 122.6 66.1 5.8 25.6 10 25 A N T 3 S+ 0 0 38 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.699 90.1 128.3 58.1 28.0 64.2 9.0 24.8 11 26 A T S < S+ 0 0 83 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.565 75.5 48.7 -85.7 -9.3 63.2 8.0 21.3 12 27 A V S > S+ 0 0 9 -4,-0.3 3,-1.7 87,-0.1 -1,-0.3 -0.682 72.2 173.7-128.9 73.1 59.6 8.8 22.1 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.1 0, 0.0 38,-0.3 0.605 72.8 57.1 -57.6 -19.4 60.0 12.3 23.7 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.520 81.1 108.7 -92.8 -6.9 56.3 13.1 24.0 15 30 A Q E < -J 28 0C 5 -3,-1.7 36,-0.5 13,-0.2 37,-0.4 -0.534 48.0-174.8 -74.2 130.4 55.6 10.0 26.1 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.1 -2,-0.3 2,-0.5 -0.866 19.2-138.7-123.9 159.5 54.8 10.6 29.8 17 32 A S E -JK 26 49C 0 32,-2.1 32,-2.5 -2,-0.3 2,-0.6 -0.979 13.4-142.2-117.5 126.5 54.3 8.4 32.8 18 33 A L E -JK 25 48C 0 7,-3.3 6,-2.2 -2,-0.5 7,-1.0 -0.810 28.5-167.9 -89.0 126.5 51.5 9.3 35.3 19 34 A N E +JK 23 47C 15 28,-2.7 28,-2.5 -2,-0.6 4,-0.2 -0.950 34.0 164.4-126.0 136.8 52.8 8.4 38.7 20 37 A S S S- 0 0 34 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.291 96.4 -48.1-138.2 46.5 51.2 8.1 42.2 21 38 A G S S+ 0 0 73 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.356 139.2 30.6 99.2 -2.4 54.0 6.2 44.0 22 39 A Y S S- 0 0 129 -4,-0.0 -2,-2.2 0, 0.0 2,-0.4 -0.924 100.7 -84.5-173.7 158.7 54.1 3.9 41.0 23 40 A H E +J 19 0C 32 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.628 50.2 156.6 -76.4 130.0 53.4 4.1 37.3 24 41 A F E + 0 0 32 -6,-2.2 2,-0.3 1,-0.4 151,-0.3 0.536 59.2 8.0-129.6 -15.4 49.7 3.6 36.5 25 42 A b E -J 18 0C 6 -7,-1.0 -7,-3.3 151,-0.1 -1,-0.4 -0.990 60.2-127.7-162.3 160.3 49.1 5.2 33.1 26 43 A G E +J 17 0C 1 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.440 25.7 176.5-102.7-179.5 50.7 6.8 30.1 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.2 2,-0.4 -0.965 24.4-114.7-171.2 173.1 50.1 10.2 28.5 28 45 A S E -JL 15 36C 1 8,-2.3 8,-2.6 -2,-0.3 2,-0.6 -0.987 18.7-131.7-129.1 134.0 51.2 12.5 25.7 29 46 A L E + L 0 35C 1 -15,-2.3 74,-2.5 -2,-0.4 6,-0.2 -0.715 26.8 172.5 -82.0 121.6 52.8 16.0 26.0 30 47 A I E - 0 0 20 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.558 67.7 -10.3-106.7 -11.8 51.0 18.3 23.6 31 48 A N E > S- L 0 34C 48 3,-1.1 3,-0.6 70,-0.1 -1,-0.3 -0.936 90.6 -74.3-168.3 176.6 52.6 21.6 24.7 32 49 A S T 3 S+ 0 0 46 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.690 127.9 25.4 -59.7 -19.2 54.8 22.8 27.5 33 50 A Q T 3 S+ 0 0 67 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.413 109.7 72.4-126.0 2.1 52.0 22.8 30.1 34 51 A W E < -LM 31 89C 12 -3,-0.6 -4,-2.2 55,-0.2 -3,-1.1 -0.965 46.9-173.2-130.1 142.3 49.5 20.2 29.0 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.9 -2,-0.4 2,-0.4 -0.945 14.1-146.6-125.8 143.7 49.2 16.4 28.8 36 53 A V E +LM 28 87C 0 -8,-2.6 -8,-2.3 -2,-0.3 2,-0.2 -0.935 32.3 146.2-112.5 135.6 46.5 14.3 27.2 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.5 -2,-0.4 2,-0.3 -0.730 49.3 -65.5-146.3-166.0 45.6 11.0 28.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.710 32.5-131.2 -95.3 146.7 42.5 8.7 29.1 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.835 106.9 63.0 -63.3 -32.6 39.6 9.6 31.4 40 57 A H G 3 S+ 0 0 44 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.552 93.0 66.4 -72.0 -2.3 39.7 6.2 33.1 41 58 A b G < S+ 0 0 4 -3,-1.5 -1,-0.3 -15,-0.0 -2,-0.2 0.436 75.2 128.5 -93.5 -2.8 43.2 7.2 34.3 42 59 A Y < + 0 0 127 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.235 22.6 132.8 -59.5 141.0 41.8 10.0 36.5 43 60 A K - 0 0 59 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.926 52.9 -95.5-175.7 160.3 42.8 10.1 40.2 44 61 A S S S+ 0 0 99 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.481 97.6 38.4 -84.7 160.0 44.0 12.7 42.7 45 62 A G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.905 74.1 171.1 70.2 44.3 47.7 13.1 43.5 46 63 A I - 0 0 10 -3,-0.3 21,-2.2 21,-0.1 2,-0.5 -0.739 17.9-166.4 -92.0 130.9 49.1 12.7 40.0 47 64 A Q E -KN 19 66C 52 -28,-2.5 -28,-2.7 -2,-0.4 2,-0.5 -0.973 15.8-141.4-113.9 125.8 52.8 13.5 39.3 48 65 A V E -KN 18 65C 0 17,-3.2 17,-3.0 -2,-0.5 2,-0.6 -0.763 12.7-159.7 -89.3 127.9 53.7 13.7 35.7 49 65AA R E -KN 17 64C 51 -32,-2.5 -32,-2.1 -2,-0.5 3,-0.3 -0.931 12.0-176.0-114.7 113.6 57.1 12.2 34.8 50 66 A L E + N 0 63C 2 13,-3.0 13,-1.9 -2,-0.6 -34,-0.1 -0.656 60.0 28.3-103.7 160.0 58.7 13.4 31.6 51 69 A G S S+ 0 0 7 -36,-0.5 2,-0.2 -38,-0.3 -1,-0.2 0.716 84.7 152.5 64.7 25.1 61.9 12.3 29.8 52 70 A E + 0 0 12 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.511 23.0 152.0 -89.1 151.9 61.7 8.8 31.3 53 71 A D S S+ 0 0 15 1,-0.3 2,-0.9 4,-0.3 -1,-0.2 0.283 81.0 35.2-133.3 -76.0 63.0 5.5 29.9 54 72 A N S > S- 0 0 25 80,-0.2 3,-0.9 1,-0.2 -1,-0.3 -0.752 72.4-165.0 -84.0 109.9 63.7 3.3 33.0 55 73 A I T 3 S+ 0 0 28 78,-2.4 -1,-0.2 -2,-0.9 79,-0.1 0.526 83.5 54.3 -75.3 -3.7 60.9 4.3 35.3 56 74 A N T 3 S+ 0 0 115 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.477 106.3 52.8-106.4 -5.4 62.6 2.7 38.3 57 75 A V S < S- 0 0 76 -3,-0.9 2,-1.0 76,-0.2 -4,-0.3 -0.993 77.5-128.2-133.5 137.6 66.0 4.5 38.1 58 76 A V + 0 0 114 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.770 38.8 163.0 -84.1 107.7 66.8 8.2 37.8 59 77 A E - 0 0 106 -2,-1.0 -1,-0.2 1,-0.3 2,-0.1 0.556 53.5 -92.6-102.1 -13.6 69.1 8.1 34.8 60 78 A G S S+ 0 0 33 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.195 101.0 67.3 112.1 153.9 69.0 11.8 33.9 61 79 A N S S+ 0 0 79 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.274 70.8 133.3 84.0 -9.7 66.7 13.9 31.6 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.437 37.0-168.3 -74.4 148.6 63.7 13.2 33.9 63 81 A Q E -N 50 0C 36 -13,-1.9 -13,-3.0 -2,-0.1 2,-0.6 -0.981 4.7-161.0-136.5 119.3 61.4 16.1 34.9 64 82 A F E +N 49 0C 84 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.925 17.5 172.0-105.0 119.4 58.9 15.4 37.6 65 83 A I E -N 48 0C 12 -17,-3.0 -17,-3.2 -2,-0.6 2,-0.1 -0.993 28.4-126.4-133.2 130.5 56.0 17.9 37.6 66 84 A S E -N 47 0C 60 -2,-0.4 25,-2.7 -19,-0.2 2,-0.4 -0.384 28.6-112.9 -71.2 150.1 52.8 17.8 39.7 67 85 A A E -O 90 0C 26 -21,-2.2 23,-0.2 23,-0.2 -21,-0.1 -0.711 22.3-166.0 -83.1 130.5 49.5 18.0 38.0 68 86 A S E S- 0 0 64 21,-3.0 2,-0.3 -2,-0.4 22,-0.2 0.798 73.2 -6.8 -85.4 -32.8 47.7 21.3 38.9 69 87 A K E -O 89 0C 86 20,-1.2 20,-2.7 2,-0.0 2,-0.4 -0.969 57.7-147.9-162.3 147.4 44.4 20.1 37.5 70 88 A S E -O 88 0C 33 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.981 11.5-159.8-120.9 130.0 42.9 17.2 35.6 71 89 A I E -O 87 0C 33 16,-3.7 16,-2.5 -2,-0.4 2,-0.2 -0.884 4.3-164.7-116.7 100.7 40.0 17.7 33.2 72 90 A V E -O 86 0C 44 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.594 41.3 -92.9 -79.1 141.6 38.0 14.6 32.4 73 91 A H > - 0 0 26 12,-2.0 3,-2.0 10,-0.3 -1,-0.1 -0.342 32.5-129.9 -56.5 131.4 35.7 15.0 29.4 74 92 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.744 106.5 47.2 -55.4 -26.7 32.3 16.1 30.7 75 93 A S T 3 S+ 0 0 75 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.203 78.6 137.2-103.0 15.0 30.5 13.4 28.6 76 94 A Y < - 0 0 58 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.408 38.8-158.1 -62.5 132.7 32.9 10.5 29.6 77 95 A N > - 0 0 68 5,-1.9 4,-2.8 -2,-0.1 5,-0.5 -0.962 8.6-161.9-117.7 113.5 30.9 7.4 30.4 78 96 A S T 4 S+ 0 0 81 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.656 89.6 54.7 -68.8 -15.7 32.7 4.9 32.5 79 97 A N T 4 S+ 0 0 126 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.826 124.5 21.0 -86.5 -33.7 30.4 2.0 31.5 80 98 A T T 4 S- 0 0 63 -3,-0.3 -2,-0.2 2,-0.1 77,-0.1 0.593 94.4-133.3-106.8 -18.0 30.9 2.4 27.7 81 99 A L >< + 0 0 9 -4,-2.8 3,-0.8 1,-0.3 2,-0.2 0.659 48.5 158.6 69.8 18.0 34.2 4.2 27.8 82 100 A N T 3 + 0 0 36 -5,-0.5 -5,-1.9 1,-0.3 -1,-0.3 -0.528 65.9 17.8 -71.7 140.1 32.8 6.7 25.3 83 101 A N T 3 S+ 0 0 19 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.893 79.4 175.5 64.4 42.7 34.8 10.0 25.3 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.529 33.4 114.6 -81.7 77.3 37.7 8.4 27.2 85 103 A I - 0 0 0 -2,-2.0 -12,-2.0 -47,-0.3 2,-0.3 -0.997 38.1-177.8-148.0 144.8 39.9 11.4 27.2 86 104 A M E -MO 37 72C 0 -49,-2.5 -49,-2.8 -2,-0.3 2,-0.4 -0.998 16.0-143.4-145.9 143.3 41.4 13.7 29.8 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-3.7 -2,-0.3 2,-0.4 -0.889 12.8-162.6-108.5 139.9 43.5 16.8 29.9 88 106 A I E -MO 35 70C 0 -53,-2.9 -53,-2.5 -2,-0.4 2,-0.5 -0.985 5.6-153.0-124.4 126.6 46.1 17.5 32.6 89 107 A K E -MO 34 69C 47 -20,-2.7 -21,-3.0 -2,-0.4 -20,-1.2 -0.848 19.7-129.6 -99.1 132.6 47.6 20.9 33.2 90 108 A L E - O 0 67C 1 -57,-2.9 -23,-0.2 -2,-0.5 -24,-0.1 -0.548 11.1-128.9 -80.8 145.6 51.1 20.9 34.7 91 109 A K S S+ 0 0 158 -25,-2.7 2,-0.3 -2,-0.2 -1,-0.1 0.851 96.9 14.0 -60.1 -35.6 51.9 23.0 37.8 92 110 A S S S- 0 0 63 -26,-0.3 -1,-0.1 -60,-0.1 2,-0.1 -0.965 96.5 -91.7-138.6 153.6 54.8 24.5 35.9 93 111 A A - 0 0 50 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.391 42.9-120.0 -66.8 140.7 55.8 24.5 32.3 94 112 A A - 0 0 8 -62,-3.2 2,-0.8 -63,-0.1 -1,-0.1 -0.440 23.8-112.3 -77.8 155.0 58.1 21.6 31.2 95 113 A S - 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