==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 04-SEP-94 1TPS . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR A.Y.LEE,J.CLARDY . 230 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 61.7 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 . 72 31.3 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 . 5 2.2 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 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.1 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 . 4 2 1 6 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 0 1 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,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 125.3 10.8 3.5 25.2 2 17 A V B +A 171 0A 10 169,-3.3 169,-1.8 1,-0.2 123,-0.1 -0.871 360.0 3.5-101.7 131.9 10.9 7.2 24.2 3 18 A G S S+ 0 0 48 121,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.729 101.9 123.4 69.6 23.3 8.7 8.3 21.3 4 19 A G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.129 54.8-115.7 -98.2-161.8 7.0 4.9 20.9 5 20 A Y E -B 137 0B 101 132,-2.5 132,-3.2 -3,-0.1 2,-0.5 -0.895 34.6 -86.2-135.5 162.4 3.3 3.8 21.1 6 21 A T E -B 136 0B 72 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.608 37.0-150.1 -69.7 119.9 1.2 1.6 23.3 7 22 A a - 0 0 17 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.897 36.0-111.6 -58.7 -46.4 1.6 -2.0 21.9 8 23 A G > - 0 0 25 127,-0.5 3,-1.9 -3,-0.1 4,-0.3 -0.009 48.0 -58.6 113.9 135.4 -1.7 -3.3 22.9 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.202 118.9 -10.1 -50.3 124.6 -2.3 -6.0 25.5 10 25 A N T 3 S+ 0 0 40 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.668 90.4 127.2 59.0 26.0 -0.4 -9.2 24.7 11 26 A T S < S+ 0 0 84 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.541 76.7 47.7 -85.7 -6.7 0.5 -8.2 21.1 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.678 73.7 174.7-132.1 72.5 4.2 -9.0 21.9 13 28 A P T 3 S+ 0 0 34 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.597 72.5 57.7 -58.2 -18.9 3.7 -12.5 23.6 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.479 80.9 109.1 -93.0 -4.6 7.4 -13.2 23.9 15 30 A Q E < -K 28 0C 6 -3,-1.8 36,-0.5 13,-0.2 37,-0.4 -0.574 47.7-175.2 -77.3 128.3 8.1 -10.1 26.0 16 31 A V E -KL 27 50C 2 11,-2.4 11,-1.0 -2,-0.3 2,-0.4 -0.850 19.2-137.4-121.7 160.6 8.9 -10.8 29.7 17 32 A S E -KL 26 49C 0 32,-2.2 32,-2.9 -2,-0.3 2,-0.6 -0.959 12.6-142.8-116.7 129.7 9.4 -8.5 32.7 18 33 A L E -KL 25 48C 0 7,-3.2 6,-2.3 -2,-0.4 7,-1.0 -0.882 28.2-169.6 -92.8 125.9 12.2 -9.3 35.2 19 34 A N E +KL 23 47C 17 28,-2.8 28,-2.3 -2,-0.6 4,-0.2 -0.957 33.8 165.3-127.3 134.9 11.0 -8.4 38.6 20 37 A S S S- 0 0 35 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.316 96.8 -48.5-134.3 47.6 12.6 -8.1 42.0 21 38 A G S S+ 0 0 73 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.398 139.5 32.7 96.9 -1.4 9.8 -6.2 43.8 22 39 A Y S S- 0 0 111 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.906 100.4 -86.6-173.6 156.4 9.7 -3.8 40.8 23 40 A H E +K 19 0C 21 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.607 50.1 156.2 -74.3 131.4 10.3 -4.1 37.1 24 41 A F E + 0 0 1 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.583 58.6 9.3-131.2 -17.7 14.0 -3.6 36.2 25 42 A b E -K 18 0C 0 -7,-1.0 -7,-3.2 203,-0.1 -1,-0.4 -0.982 60.2-129.8-158.1 161.1 14.6 -5.3 32.9 26 43 A G E +K 17 0C 1 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.429 24.3 179.5-103.5-175.5 12.9 -7.0 29.9 27 44 A G E -K 16 0C 0 -11,-1.0 -11,-2.4 -2,-0.2 2,-0.4 -0.963 24.2-114.2-173.4 170.3 13.6 -10.3 28.3 28 45 A S E -KM 15 36C 2 8,-2.4 8,-2.6 -2,-0.3 2,-0.6 -0.982 19.5-132.7-125.3 132.3 12.5 -12.6 25.5 29 46 A L E + M 0 35C 0 -15,-2.4 74,-2.3 -2,-0.4 6,-0.2 -0.705 26.8 173.8 -80.5 119.7 11.0 -16.1 25.9 30 47 A I E - 0 0 20 4,-2.6 2,-0.3 -2,-0.6 5,-0.2 0.576 67.9 -8.3-103.1 -15.9 12.8 -18.4 23.5 31 48 A N E > S- M 0 34C 49 3,-1.2 3,-0.8 70,-0.1 -1,-0.3 -0.927 91.7 -76.1-163.0 177.2 11.2 -21.7 24.6 32 49 A S T 3 S+ 0 0 46 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.702 128.7 25.9 -60.7 -17.2 8.9 -22.8 27.4 33 50 A Q T 3 S+ 0 0 57 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.394 109.5 73.6-127.6 4.0 11.7 -22.7 30.0 34 51 A W E < -MN 31 89C 10 -3,-0.8 -4,-2.6 55,-0.2 -3,-1.2 -0.973 47.2-172.8-131.1 139.9 14.3 -20.2 28.8 35 52 A V E -MN 29 88C 0 53,-2.4 53,-2.9 -2,-0.4 2,-0.4 -0.918 14.3-145.6-124.2 143.0 14.5 -16.5 28.6 36 53 A V E +MN 28 87C 1 -8,-2.6 -8,-2.4 -2,-0.3 2,-0.2 -0.925 33.6 146.4-108.5 135.9 17.2 -14.3 27.0 37 54 A S E - N 0 86C 0 49,-2.8 49,-2.4 -2,-0.4 2,-0.3 -0.778 49.7 -66.6-149.3-169.5 18.2 -11.0 28.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.704 33.9-130.2 -91.8 145.3 21.2 -8.7 29.0 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.856 107.6 60.3 -59.9 -35.8 24.1 -9.8 31.2 40 57 A H G 3 S+ 0 0 14 1,-0.3 -1,-0.3 41,-0.1 191,-0.2 0.529 91.4 69.2 -73.1 -2.9 24.0 -6.5 33.1 41 58 A b G < S+ 0 0 2 -3,-1.7 -1,-0.3 187,-0.1 -2,-0.2 0.471 75.7 126.9 -88.1 -4.5 20.4 -7.3 34.2 42 59 A Y < + 0 0 125 -3,-1.7 2,-0.3 -4,-0.2 -3,-0.0 -0.259 22.6 131.9 -59.5 138.6 21.8 -10.0 36.4 43 60 A K - 0 0 58 -2,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.932 54.1 -97.3-173.2 161.4 20.9 -10.1 40.1 44 61 A S S S+ 0 0 96 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.467 98.5 42.1 -85.7 164.0 19.7 -12.7 42.6 45 62 A G S S+ 0 0 66 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.869 74.2 168.7 69.7 40.0 16.0 -13.0 43.4 46 63 A I - 0 0 9 -3,-0.3 21,-2.0 21,-0.1 2,-0.5 -0.706 18.4-167.7 -89.8 130.7 14.7 -12.6 39.9 47 64 A Q E -LO 19 66C 51 -28,-2.3 -28,-2.8 -2,-0.4 2,-0.5 -0.986 15.8-141.9-115.7 124.6 11.0 -13.4 39.2 48 65 A V E -LO 18 65C 0 17,-3.0 17,-2.7 -2,-0.5 2,-0.6 -0.770 12.2-158.5 -89.6 128.5 10.1 -13.7 35.6 49 66 A R E -LO 17 64C 50 -32,-2.9 -32,-2.2 -2,-0.5 3,-0.3 -0.942 12.2-175.8-114.5 114.7 6.7 -12.2 34.7 50 67 A L E +LO 16 63C 2 13,-2.8 13,-1.9 -2,-0.6 -34,-0.1 -0.728 60.4 29.7-106.1 158.2 5.1 -13.4 31.5 51 69 A G S S+ 0 0 5 -36,-0.5 2,-0.2 -38,-0.3 -1,-0.2 0.721 85.0 155.3 67.8 25.6 1.9 -12.4 29.7 52 70 A E + 0 0 9 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.520 22.8 148.6 -88.8 150.5 2.1 -8.9 31.1 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.8 4,-0.2 -1,-0.2 0.262 80.1 35.1-133.6 -82.3 0.7 -5.6 29.8 54 72 A N S > S- 0 0 24 80,-0.2 3,-0.6 1,-0.2 -1,-0.4 -0.700 72.9-164.1 -77.5 111.7 -0.1 -3.3 32.8 55 73 A I T 3 S+ 0 0 31 78,-2.7 -1,-0.2 -2,-0.8 79,-0.1 0.595 83.4 54.0 -75.8 -8.2 2.8 -4.3 35.2 56 74 A N T 3 S+ 0 0 113 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.566 105.8 55.1-100.9 -8.7 1.1 -2.7 38.2 57 75 A V S < S- 0 0 75 -3,-0.6 2,-0.8 76,-0.2 -4,-0.2 -0.965 75.6-130.3-128.9 138.6 -2.2 -4.6 37.9 58 76 A V + 0 0 115 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.811 39.0 161.3 -83.4 112.6 -3.1 -8.2 37.8 59 77 A E - 0 0 110 -2,-0.8 -1,-0.2 1,-0.3 2,-0.1 0.494 55.0 -89.4-110.2 -12.2 -5.4 -8.3 34.8 60 78 A G S S+ 0 0 33 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.205 101.9 66.0 111.7 152.0 -5.3 -12.0 33.9 61 79 A N S S+ 0 0 75 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.220 70.4 130.0 85.9 -10.8 -3.0 -13.9 31.6 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.397 38.7-166.7 -74.8 149.9 0.1 -13.3 33.8 63 81 A Q E -O 50 0C 37 -13,-1.9 -13,-2.8 -3,-0.1 2,-0.6 -0.981 4.9-160.1-137.1 119.0 2.4 -16.2 34.8 64 82 A F E +O 49 0C 85 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.940 19.1 171.0-102.8 120.0 4.9 -15.4 37.6 65 83 A I E -O 48 0C 13 -17,-2.7 -17,-3.0 -2,-0.6 2,-0.1 -0.997 29.3-124.9-134.3 133.5 7.8 -17.9 37.6 66 84 A S E -O 47 0C 57 -2,-0.4 25,-2.9 -19,-0.2 2,-0.4 -0.449 28.1-113.6 -74.3 147.9 11.0 -17.9 39.6 67 85 A A E -P 90 0C 25 -21,-2.0 23,-0.2 23,-0.2 3,-0.1 -0.687 23.5-167.4 -79.8 128.3 14.3 -18.0 37.8 68 86 A S E S- 0 0 62 21,-3.1 2,-0.3 -2,-0.4 22,-0.2 0.754 73.2 -0.4 -86.2 -29.6 16.0 -21.3 38.8 69 87 A K E -P 89 0C 86 20,-1.3 20,-2.9 2,-0.0 2,-0.5 -0.964 57.9-151.9-160.3 142.7 19.4 -20.2 37.3 70 88 A S E -P 88 0C 34 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.986 11.6-161.7-119.6 124.3 20.8 -17.2 35.5 71 89 A I E -P 87 0C 32 16,-3.6 16,-2.5 -2,-0.5 2,-0.2 -0.892 3.5-165.5-113.2 98.8 23.7 -17.8 33.1 72 90 A V E -P 86 0C 46 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.604 42.0 -92.5 -77.5 140.9 25.7 -14.6 32.3 73 91 A H > - 0 0 23 12,-2.1 3,-2.3 10,-0.3 -1,-0.1 -0.398 32.8-130.2 -56.1 130.1 28.0 -15.1 29.3 74 92 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.746 106.9 47.4 -52.9 -30.5 31.4 -16.2 30.7 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.159 77.7 137.8 -99.9 16.8 33.2 -13.5 28.6 76 94 A Y < - 0 0 59 -3,-2.3 2,-0.6 9,-0.1 7,-0.2 -0.459 39.5-156.3 -64.7 130.7 30.9 -10.6 29.5 77 95 A N > - 0 0 63 5,-2.2 4,-2.4 -2,-0.2 5,-0.5 -0.937 8.8-160.9-114.7 112.4 32.9 -7.5 30.2 78 96 A S T 4 S+ 0 0 80 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.724 89.6 51.7 -64.6 -20.5 31.2 -5.0 32.4 79 97 A N T 4 S+ 0 0 142 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.936 123.9 23.5 -81.1 -49.8 33.5 -2.2 31.3 80 98 A T T 4 S- 0 0 69 2,-0.1 -2,-0.2 76,-0.0 77,-0.1 0.593 95.6-134.0 -90.4 -17.3 33.1 -2.5 27.5 81 99 A L >< + 0 0 19 -4,-2.4 3,-0.7 1,-0.2 2,-0.2 0.678 49.3 157.1 68.8 18.8 29.8 -4.2 27.7 82 100 A N T 3 + 0 0 31 -5,-0.5 -5,-2.2 1,-0.2 -1,-0.2 -0.539 62.9 19.6 -75.0 143.4 31.0 -6.8 25.2 83 101 A N T 3 S+ 0 0 21 -7,-0.2 2,-1.9 1,-0.2 -10,-0.3 0.898 77.8 174.6 62.8 44.8 29.1 -10.1 25.3 84 102 A D < + 0 0 1 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.505 32.1 116.4 -83.3 73.9 26.1 -8.5 27.1 85 103 A I - 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