==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-SEP-98 1TIO . COMPND 2 MOLECULE: PROTEIN (BETA-TRYPSIN); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR Q.HUANG,G.ZHU,Z.WANG,Q.TANG . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 61.0 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 30.9 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 . 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 . 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 . 22 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.3 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 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 129.5 35.5 20.4 19.1 2 17 A V B +A 171 0A 9 169,-2.9 169,-1.7 1,-0.2 123,-0.1 -0.897 360.0 2.6-105.8 129.3 37.7 19.5 16.0 3 18 A G S S+ 0 0 40 121,-0.6 -1,-0.2 -2,-0.5 169,-0.1 0.716 103.4 121.9 71.5 22.7 39.4 22.3 14.2 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.013 56.2-114.4 -97.6-155.5 38.3 25.0 16.6 5 20 A Y E -B 137 0B 102 132,-2.4 132,-3.3 -3,-0.1 2,-0.6 -0.925 35.6 -86.4-141.4 161.8 40.0 27.5 18.9 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.638 35.4-151.5 -74.9 117.5 40.4 28.1 22.6 7 22 A a - 0 0 18 128,-2.0 -1,-0.2 -2,-0.6 2,-0.1 0.931 35.3-117.8 -52.5 -54.6 37.4 30.2 23.6 8 23 A G > - 0 0 24 127,-0.5 3,-1.4 -3,-0.1 4,-0.3 -0.220 44.8 -53.5 119.1 148.1 39.1 31.9 26.5 9 24 A A T 3 S- 0 0 41 1,-0.3 44,-0.1 -2,-0.1 43,-0.0 -0.320 118.0 -12.1 -60.2 124.4 38.0 31.7 30.2 10 25 A N T 3 S+ 0 0 21 42,-0.4 -1,-0.3 2,-0.2 43,-0.1 0.750 91.4 124.6 58.3 32.6 34.4 32.6 30.8 11 26 A T S < S+ 0 0 85 -3,-1.4 -2,-0.1 1,-0.3 -1,-0.1 0.550 75.5 50.0 -93.5 -9.8 33.7 34.0 27.4 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.678 73.9 176.4-127.2 75.2 30.8 31.6 26.9 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.579 73.0 54.9 -58.6 -17.2 29.0 32.2 30.2 14 29 A Y T 3 S+ 0 0 19 86,-0.2 15,-2.1 88,-0.1 2,-0.3 0.456 81.1 110.7 -98.3 -4.3 26.0 29.9 29.5 15 30 A Q E < -J 28 0C 6 -3,-1.8 36,-0.5 13,-0.2 37,-0.4 -0.568 46.2-177.6 -75.0 127.4 28.2 26.8 28.9 16 31 A V E -J 27 0C 2 11,-2.6 11,-1.1 -2,-0.3 2,-0.4 -0.892 20.9-138.0-124.7 158.5 27.9 24.2 31.5 17 32 A S E -JK 26 49C 1 32,-2.0 32,-2.5 -2,-0.3 2,-0.6 -0.943 14.8-140.1-112.9 133.4 29.6 20.8 32.0 18 33 A L E -JK 25 48C 0 7,-3.3 6,-2.4 -2,-0.4 7,-1.0 -0.866 26.0-169.0 -93.7 126.9 27.5 17.8 33.2 19 34 A N E +JK 23 47C 22 28,-2.5 28,-2.3 -2,-0.6 4,-0.2 -0.971 30.1 168.0-125.7 127.5 29.6 15.9 35.7 20 37 A S S S- 0 0 29 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.344 97.4 -48.3-126.6 47.8 28.9 12.4 37.1 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.183 140.6 31.0 102.6 -11.1 32.4 12.1 38.6 22 39 A Y S S- 0 0 129 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.945 102.3 -83.1-166.3 157.4 33.8 13.2 35.3 23 40 A H E +J 19 0C 39 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.559 51.5 156.8 -70.2 130.1 32.7 15.5 32.4 24 41 A F E + 0 0 31 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.566 59.7 3.4-129.2 -17.1 30.3 13.5 30.1 25 42 A b E -J 18 0C 8 -7,-1.0 -7,-3.3 151,-0.1 -1,-0.4 -0.981 60.9-123.9-163.4 162.4 28.3 16.2 28.3 26 43 A G E +J 17 0C 1 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.398 26.8 176.0-101.4-175.4 27.7 19.9 27.9 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.6 -2,-0.1 2,-0.4 -0.956 25.3-113.3-176.2 169.9 24.6 22.0 28.4 28 45 A S E -JL 15 36C 2 8,-2.5 8,-2.5 -2,-0.3 2,-0.6 -0.975 20.0-130.3-125.3 137.1 23.3 25.6 28.4 29 46 A L E + L 0 35C 0 -15,-2.1 74,-2.7 -2,-0.4 6,-0.2 -0.745 26.1 174.8 -83.8 119.2 22.0 27.6 31.3 30 47 A I E - 0 0 20 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.604 69.4 -10.8-100.4 -16.0 18.6 29.2 30.3 31 48 A N E > S- L 0 34C 45 3,-1.2 3,-0.7 70,-0.1 -1,-0.3 -0.930 89.7 -77.6-166.2 173.1 17.9 30.7 33.7 32 49 A S T 3 S+ 0 0 43 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.658 128.3 28.9 -58.3 -17.2 19.3 30.6 37.2 33 50 A Q T 3 S+ 0 0 53 60,-0.2 57,-2.5 1,-0.1 2,-0.4 0.458 109.4 71.6-124.1 -1.6 17.6 27.2 37.9 34 51 A W E < -LM 31 89C 8 -3,-0.7 -4,-2.2 55,-0.2 -3,-1.2 -0.953 47.6-174.8-126.6 141.5 17.3 25.4 34.6 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.9 -2,-0.4 2,-0.4 -0.958 12.7-151.2-126.4 139.7 19.8 23.8 32.1 36 53 A V E +LM 28 87C 1 -8,-2.5 -8,-2.5 -2,-0.4 2,-0.2 -0.927 30.0 148.1-111.7 139.9 19.0 22.4 28.7 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.2 -2,-0.4 2,-0.3 -0.731 49.9 -63.0-149.0-165.4 21.0 19.5 27.3 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.751 33.0-134.5 -94.0 142.4 20.7 16.5 25.0 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.825 106.3 62.6 -63.5 -30.4 18.3 13.6 26.0 40 57 A H G 3 S+ 0 0 71 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.620 93.5 64.8 -71.5 -8.3 21.0 11.1 25.1 41 58 A b G < S+ 0 0 4 -3,-1.5 -1,-0.3 -15,-0.0 -2,-0.2 0.351 78.1 133.4 -90.5 2.8 23.1 12.7 27.8 42 59 A Y < + 0 0 128 -3,-1.8 2,-0.3 -5,-0.0 -3,-0.0 -0.302 19.4 133.2 -61.4 140.0 20.6 11.4 30.4 43 60 A K - 0 0 58 -2,-0.0 3,-0.3 3,-0.0 2,-0.2 -0.933 51.5-100.7-174.5 159.0 21.9 9.7 33.5 44 61 A S S S+ 0 0 98 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.612 95.9 40.7 -89.7 152.8 21.3 9.8 37.3 45 62 A G S S+ 0 0 67 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.866 73.9 169.1 80.8 38.8 23.6 11.6 39.7 46 63 A I - 0 0 8 -3,-0.3 21,-2.2 -26,-0.1 2,-0.5 -0.694 17.6-168.2 -89.2 130.5 24.3 14.7 37.5 47 64 A Q E -KN 19 66C 49 -28,-2.3 -28,-2.5 -2,-0.4 2,-0.5 -0.981 18.3-136.2-115.6 130.2 26.1 17.6 39.1 48 65 A V E -KN 18 65C 0 17,-3.4 17,-3.0 -2,-0.5 2,-0.6 -0.774 14.1-160.4 -91.0 129.0 26.0 20.8 37.0 49 65AA R E +KN 17 64C 52 -32,-2.5 -32,-2.0 -2,-0.5 3,-0.3 -0.929 13.9 178.8-114.9 111.1 29.3 22.8 36.8 50 66 A L E + N 0 63C 2 13,-3.0 13,-1.9 -2,-0.6 -34,-0.1 -0.680 59.4 34.3-106.6 163.6 29.0 26.4 35.8 51 69 A G S S+ 0 0 5 -36,-0.5 10,-0.3 -38,-0.3 2,-0.2 0.752 85.1 153.2 65.1 26.1 31.7 29.1 35.3 52 70 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.565 21.9 148.6 -91.3 146.9 34.1 26.5 34.1 53 71 A D S S+ 0 0 14 1,-0.4 2,-0.9 4,-0.3 -1,-0.2 0.280 81.9 32.4-131.5 -75.0 37.1 26.9 31.7 54 72 A N S > S- 0 0 32 3,-0.2 3,-0.9 80,-0.2 -1,-0.4 -0.788 73.8-162.5 -87.6 109.7 39.6 24.3 32.8 55 73 A I T 3 S+ 0 0 28 78,-2.4 -1,-0.2 -2,-0.9 79,-0.1 0.490 87.2 51.0 -72.2 -3.2 37.4 21.5 34.0 56 74 A N T 3 S+ 0 0 120 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.451 105.5 60.7-110.8 -4.0 40.3 19.9 35.9 57 75 A V S < S- 0 0 75 -3,-0.9 2,-1.2 76,-0.2 -4,-0.3 -0.985 77.3-132.7-127.9 130.0 41.4 23.0 37.7 58 76 A V + 0 0 114 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.708 31.8 171.6 -80.7 101.1 39.4 25.0 40.2 59 77 A E - 0 0 94 -2,-1.2 -1,-0.2 -5,-0.3 -7,-0.0 0.418 52.1-103.0 -92.1 -1.9 40.1 28.5 38.9 60 78 A G S S+ 0 0 59 -3,-0.1 -2,-0.1 0, 0.0 -8,-0.1 0.449 103.0 83.3 99.7 -3.2 37.6 30.4 41.1 61 79 A N + 0 0 61 -10,-0.3 -9,-0.1 38,-0.0 -3,-0.0 0.412 66.7 117.6-111.6 3.5 34.6 31.1 38.9 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.277 42.2-169.9 -75.3 153.5 33.0 27.7 39.3 63 81 A Q E -N 50 0C 36 -13,-1.9 -13,-3.0 2,-0.1 2,-0.6 -0.979 7.9-162.3-141.2 117.5 29.6 26.9 40.8 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.950 19.1 168.1-107.6 111.8 28.9 23.2 41.4 65 83 A I E -N 48 0C 16 -17,-3.0 -17,-3.4 -2,-0.6 2,-0.1 -0.990 28.1-131.4-129.7 127.7 25.2 22.5 41.8 66 84 A S E -N 47 0C 48 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.398 28.5-106.9 -74.8 153.9 23.5 19.1 41.8 67 85 A A E -O 90 0C 19 -21,-2.2 23,-0.3 23,-0.2 3,-0.1 -0.617 21.8-166.8 -80.8 136.0 20.4 18.5 39.7 68 86 A S E S+ 0 0 54 21,-3.2 2,-0.3 1,-0.3 22,-0.2 0.774 75.3 0.0 -89.3 -33.3 17.0 18.2 41.6 69 87 A K E -O 89 0C 81 20,-1.2 20,-3.1 2,-0.0 2,-0.4 -0.987 58.6-152.0-158.1 146.3 15.2 16.7 38.7 70 88 A S E -O 88 0C 43 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.979 8.7-166.4-121.3 135.5 15.8 15.7 35.0 71 89 A I E -O 87 0C 39 16,-3.2 16,-2.5 -2,-0.4 2,-0.2 -0.935 4.9-160.1-127.7 106.5 13.0 15.7 32.4 72 90 A V E -O 86 0C 48 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.622 42.6 -88.5 -81.0 143.8 13.7 14.0 29.1 73 91 A H > - 0 0 19 12,-2.0 3,-1.9 10,-0.3 -1,-0.1 -0.256 34.7-123.4 -53.6 135.8 11.5 15.1 26.2 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.857 109.3 41.9 -49.9 -39.4 8.2 13.1 26.1 75 93 A S T 3 S+ 0 0 72 2,-0.1 2,-0.2 8,-0.0 -2,-0.1 0.104 78.9 144.5 -98.7 21.5 8.8 12.0 22.5 76 94 A Y < - 0 0 58 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.432 30.9-164.3 -63.1 128.0 12.5 11.2 22.7 77 95 A N B >>> -P 82 0D 66 5,-2.2 4,-2.6 -2,-0.2 3,-0.8 -0.918 8.2-165.4-117.4 103.9 13.5 8.3 20.5 78 96 A S T 345S+ 0 0 79 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.710 86.3 58.7 -61.2 -21.8 16.9 6.9 21.3 79 97 A N T 345S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.812 123.3 19.8 -78.7 -30.0 17.1 4.9 18.1 80 98 A T T <45S- 0 0 68 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.1 0.510 95.6-129.9-114.3 -11.6 16.7 7.9 15.8 81 99 A L T ><5 + 0 0 34 -4,-2.6 3,-0.9 1,-0.3 2,-0.2 0.653 51.1 158.0 66.6 17.8 17.7 10.6 18.2 82 100 A N B 3 < +P 77 0D 38 -5,-0.7 -5,-2.2 1,-0.3 -1,-0.3 -0.546 67.1 17.5 -72.0 135.4 14.6 12.5 17.2 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 -2,-0.2 -10,-0.3 0.875 79.3 176.6 68.8 41.2 13.7 15.0 20.0 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.522 34.6 113.3 -79.4 80.0 17.1 14.8 21.6 85 103 A I - 0 0 0 -2,-2.1 -12,-2.0 -47,-0.3 2,-0.3 -0.992 38.1-179.2-152.3 143.8 16.5 17.4 24.3 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.5 -2,-0.3 2,-0.4 -0.985 17.1-140.4-145.6 149.9 16.4 17.3 28.1 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-3.2 -2,-0.3 2,-0.4 -0.934 13.5-164.8-115.2 139.9 15.8 19.8 30.9 88 106 A I E -MO 35 70C 0 -53,-2.9 -53,-2.4 -2,-0.4 2,-0.4 -0.989 6.3-153.3-128.2 123.8 17.6 19.7 34.2 89 107 A K E -MO 34 69C 40 -20,-3.1 -21,-3.2 -2,-0.4 -20,-1.2 -0.834 17.2-133.0 -97.9 134.8 16.5 21.6 37.3 90 108 A L E - O 0 67C 0 -57,-2.5 -23,-0.2 -2,-0.4 -24,-0.1 -0.584 14.4-126.6 -83.6 147.1 19.2 22.7 39.8 91 109 A K S S+ 0 0 140 -25,-2.9 2,-0.3 -2,-0.2 -24,-0.1 0.777 97.1 12.8 -62.0 -29.1 18.7 22.0 43.5 92 110 A S S S- 0 0 66 -26,-0.3 -1,-0.1 -60,-0.1 -24,-0.0 -0.980 95.6 -91.3-145.7 152.9 19.4 25.7 44.1 93 111 A A - 0 0 51 -2,-0.3 -60,-0.2 1,-0.1 2,-0.2 -0.310 39.3-120.5 -68.5 147.8 19.6 28.7 41.8 94 112 A A - 0 0 8 -62,-2.8 2,-0.8 -63,-0.1 -1,-0.1 -0.497 24.2-113.1 -82.4 156.7 22.9 29.8 40.4 95 113 A S - 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