==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-OCT-03 1V2S . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR D.RAUH,G.KLEBE,M.T.STUBBS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9422.0 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 . 70 31.4 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 . 16 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.0 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 1 0 0 0 0 1 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 . 2 3 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 T I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 124.4 59.7 62.3 -32.4 2 17 T V B +A 171 0A 10 169,-3.5 169,-1.8 1,-0.2 123,-0.1 -0.881 360.0 5.3-104.1 132.4 61.8 62.5 -29.2 3 18 T G S S+ 0 0 43 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.703 102.2 122.0 72.8 20.5 63.7 59.3 -28.1 4 19 T G - 0 0 33 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.087 54.5-116.5 -97.9-160.5 62.6 57.3 -31.1 5 20 T Y E -B 137 0B 103 132,-2.5 132,-3.4 -3,-0.1 2,-0.5 -0.907 34.7 -85.1-137.9 164.1 64.5 55.4 -33.8 6 21 T T E -B 136 0B 76 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.614 37.3-151.8 -72.2 118.4 65.0 55.6 -37.6 7 22 T a - 0 0 18 128,-1.8 -1,-0.2 -2,-0.5 129,-0.1 0.904 36.0-112.9 -57.5 -48.9 62.0 53.7 -39.0 8 23 T G > - 0 0 25 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.041 47.9 -53.8 116.3 139.1 63.7 52.5 -42.2 9 24 T A T 3 S- 0 0 52 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.195 118.5 -15.8 -49.5 116.8 62.9 53.6 -45.8 10 25 T N T 3 S+ 0 0 24 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.717 89.1 130.3 59.7 29.3 59.2 53.0 -46.5 11 26 T T S < S+ 0 0 83 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.550 76.3 49.6 -84.8 -8.4 58.5 50.7 -43.5 12 27 T V S > S+ 0 0 7 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.672 73.5 174.1-127.9 71.5 55.5 52.9 -42.7 13 28 T P T 3 S+ 0 0 32 0, 0.0 88,-1.0 0, 0.0 38,-0.3 0.626 73.0 57.5 -55.8 -20.6 53.8 53.0 -46.2 14 29 T Y T 3 S+ 0 0 21 86,-0.2 15,-2.1 88,-0.1 2,-0.3 0.565 81.2 107.4 -89.6 -10.6 50.7 54.9 -45.0 15 30 T Q E < -J 28 0C 6 -3,-1.8 36,-0.4 13,-0.2 37,-0.4 -0.506 48.6-176.3 -72.0 130.4 52.7 57.8 -43.6 16 31 T V E -J 27 0C 0 11,-2.2 11,-1.1 -2,-0.3 2,-0.5 -0.863 20.5-135.6-124.9 161.0 52.4 61.0 -45.6 17 32 T S E -JK 26 49C 1 32,-2.1 32,-2.7 -2,-0.3 2,-0.5 -0.970 13.9-142.6-116.9 129.7 54.0 64.5 -45.3 18 33 T L E -JK 25 48C 0 7,-3.2 6,-2.1 -2,-0.5 7,-1.0 -0.820 24.8-167.6 -92.1 128.3 51.9 67.6 -45.8 19 34 T N E +JK 23 47C 21 28,-3.0 28,-2.1 -2,-0.5 4,-0.2 -0.968 31.1 165.8-127.0 133.1 53.9 70.2 -47.6 20 37 T S S S- 0 0 30 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.354 97.2 -45.6-132.9 47.5 53.2 74.0 -48.2 21 38 T G S S+ 0 0 72 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.233 139.7 24.2 104.1 -10.1 56.7 74.9 -49.4 22 39 T Y S S- 0 0 137 -4,-0.0 -2,-2.0 0, 0.0 2,-0.3 -0.937 102.4 -77.6-171.8 160.7 58.1 72.8 -46.6 23 40 T H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.554 52.7 155.2 -71.3 132.2 57.0 69.9 -44.3 24 41 T F E + 0 0 30 -6,-2.1 2,-0.3 1,-0.4 151,-0.2 0.527 58.6 5.6-133.1 -15.6 54.6 71.1 -41.6 25 42 T b E -J 18 0C 7 -7,-1.0 -7,-3.2 151,-0.1 -1,-0.4 -0.988 61.5-122.0-164.4 161.5 52.5 68.1 -40.6 26 43 T G E +J 17 0C 1 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.375 26.0 177.3-100.4-178.2 52.0 64.4 -41.0 27 44 T G E -J 16 0C 0 -11,-1.1 -11,-2.2 10,-0.1 2,-0.4 -0.963 23.6-117.8-170.9 173.5 49.0 62.4 -42.2 28 45 T S E -JL 15 36C 0 8,-2.3 8,-2.7 -2,-0.3 2,-0.6 -0.994 18.6-131.7-131.7 136.2 47.8 58.9 -42.9 29 46 T L E + L 0 35C 1 -15,-2.1 74,-2.2 -2,-0.4 6,-0.2 -0.760 25.0 175.5 -85.3 120.1 46.6 57.5 -46.2 30 47 T I E - 0 0 20 4,-2.1 2,-0.3 -2,-0.6 5,-0.1 0.578 68.7 -12.2-102.5 -12.2 43.3 55.6 -45.6 31 48 T N E > S- L 0 34C 46 3,-1.1 3,-0.7 70,-0.1 -1,-0.3 -0.932 89.9 -75.0-169.5 175.2 42.6 54.8 -49.3 32 49 T S T 3 S+ 0 0 40 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.692 128.0 29.5 -58.2 -20.0 43.9 55.8 -52.7 33 50 T Q T 3 S+ 0 0 79 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.488 109.6 69.2-119.6 -4.8 42.1 59.2 -52.7 34 51 T W E < -LM 31 89C 8 -3,-0.7 -4,-2.1 55,-0.2 -3,-1.1 -0.945 47.7-170.8-128.4 144.2 41.9 60.2 -49.0 35 52 T V E -LM 29 88C 0 53,-2.6 53,-2.7 -2,-0.4 2,-0.4 -0.947 12.8-147.9-125.3 143.4 44.2 61.3 -46.2 36 53 T V E +LM 28 87C 0 -8,-2.7 -8,-2.3 -2,-0.4 2,-0.2 -0.924 32.1 145.2-111.0 136.5 43.5 61.8 -42.5 37 54 T S E - M 0 86C 0 49,-2.5 49,-2.4 -2,-0.4 2,-0.3 -0.794 50.4 -65.9-149.8-168.9 45.3 64.5 -40.5 38 55 T A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.732 32.3-134.9 -93.5 140.5 44.8 67.0 -37.6 39 56 T A G > S+ 0 0 4 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.821 105.9 62.2 -60.8 -32.2 42.4 69.9 -38.1 40 57 T H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.524 93.9 65.6 -74.3 -0.5 45.0 72.2 -36.5 41 58 T b G < S+ 0 0 3 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.388 75.1 133.0 -96.2 0.1 47.2 71.3 -39.4 42 59 T Y < + 0 0 127 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.213 21.9 150.5 -56.5 141.4 44.9 73.0 -41.9 43 60 T K - 0 0 60 0, 0.0 3,-0.4 0, 0.0 2,-0.3 -0.953 45.0-105.8-164.5 153.6 46.4 75.3 -44.4 44 61 T S S S+ 0 0 92 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.637 98.8 30.6 -87.5 149.1 45.5 76.4 -47.9 45 62 T G S S+ 0 0 70 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.920 79.3 177.8 73.2 44.8 47.6 75.0 -50.8 46 63 T I - 0 0 7 -3,-0.4 21,-2.3 -26,-0.1 2,-0.5 -0.641 14.8-164.0 -84.9 136.1 48.4 71.7 -49.3 47 64 T Q E -KN 19 66C 54 -28,-2.1 -28,-3.0 -2,-0.3 2,-0.5 -0.984 13.2-142.0-118.1 129.0 50.4 69.2 -51.2 48 65 T V E -KN 18 65C 0 17,-3.1 17,-2.7 -2,-0.5 2,-0.6 -0.793 11.1-156.8 -93.7 129.8 50.4 65.6 -50.0 49 66 T R E -KN 17 64C 52 -32,-2.7 -32,-2.1 -2,-0.5 3,-0.3 -0.933 12.9-175.4-113.8 116.2 53.7 63.7 -50.3 50 67 T L E + N 0 63C 3 13,-2.8 13,-1.8 -2,-0.6 -34,-0.1 -0.703 61.2 29.3-106.1 157.7 53.6 59.9 -50.4 51 69 T G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.706 85.0 153.7 68.4 23.0 56.4 57.3 -50.4 52 70 T E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.547 21.4 149.3 -88.2 145.4 58.7 59.6 -48.5 53 71 T D S S+ 0 0 13 1,-0.4 2,-0.8 4,-0.2 82,-0.2 0.348 80.7 30.3-129.5 -76.1 61.6 58.7 -46.3 54 72 T N S > S- 0 0 29 80,-0.2 3,-1.3 3,-0.2 -1,-0.4 -0.792 73.4-159.8 -87.7 112.1 64.2 61.5 -46.5 55 73 T I T 3 S+ 0 0 30 78,-2.5 -1,-0.1 -2,-0.8 79,-0.1 0.498 86.0 52.2 -73.3 -1.2 62.0 64.6 -47.2 56 74 T N T 3 S+ 0 0 120 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.323 102.6 62.0-114.4 6.0 65.0 66.6 -48.6 57 75 T V S < S- 0 0 78 -3,-1.3 2,-0.8 76,-0.2 -4,-0.2 -0.992 78.6-127.9-135.8 128.0 66.2 64.1 -51.2 58 76 T V + 0 0 123 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.639 34.6 171.6 -74.4 110.4 64.4 62.7 -54.2 59 77 T E - 0 0 99 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.621 49.4-102.9 -98.4 -15.3 64.9 58.9 -53.7 60 78 T G S S+ 0 0 57 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.453 101.9 75.2 112.1 -1.0 62.6 57.5 -56.4 61 79 T N + 0 0 59 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.300 66.0 120.3-124.6 9.1 59.4 56.3 -54.7 62 80 T E - 0 0 37 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.349 39.9-167.4 -77.5 154.7 57.7 59.6 -54.0 63 81 T Q E -N 50 0C 37 -13,-1.8 -13,-2.8 -2,-0.1 2,-0.6 -0.968 7.1-159.8-140.1 119.3 54.3 60.8 -55.3 64 82 T F E +N 49 0C 91 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.924 18.8 169.2-106.8 115.6 53.4 64.4 -54.9 65 83 T I E -N 48 0C 14 -17,-2.7 -17,-3.1 -2,-0.6 2,-0.1 -0.987 25.4-136.4-131.3 125.4 49.7 65.1 -55.1 66 84 T S E -N 47 0C 44 -2,-0.4 25,-2.5 -19,-0.3 26,-0.3 -0.419 28.7-105.0 -78.7 154.0 47.9 68.3 -54.3 67 85 T A E -O 90 0C 23 -21,-2.3 23,-0.2 23,-0.2 3,-0.1 -0.545 23.8-170.4 -77.8 141.3 44.6 68.4 -52.3 68 86 T S E S+ 0 0 66 21,-2.7 2,-0.3 1,-0.4 22,-0.2 0.612 76.7 8.4-102.1 -18.7 41.4 69.1 -54.2 69 87 T K E -O 89 0C 95 20,-1.1 20,-2.7 2,-0.0 2,-0.4 -0.962 59.8-158.8-163.4 140.5 39.4 69.5 -51.0 70 88 T S E -O 88 0C 43 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.978 7.5-166.7-124.0 137.7 40.0 69.7 -47.3 71 89 T I E -O 87 0C 33 16,-3.2 16,-2.5 -2,-0.4 2,-0.2 -0.895 3.5-162.1-131.0 103.8 37.3 69.0 -44.7 72 90 T V E -O 86 0C 52 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.601 42.9 -89.2 -80.4 142.7 37.9 70.0 -41.1 73 91 T H > - 0 0 23 12,-2.1 3,-1.9 10,-0.3 -1,-0.1 -0.224 34.7-123.4 -52.7 136.6 35.6 68.3 -38.6 74 92 T P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.781 109.3 43.0 -53.9 -29.6 32.4 70.2 -38.1 75 93 T S T 3 S+ 0 0 73 8,-0.1 -2,-0.1 2,-0.1 7,-0.1 0.188 77.7 145.7-105.5 17.5 32.9 70.5 -34.3 76 94 T Y < - 0 0 60 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.304 33.0-158.5 -56.7 133.5 36.6 71.3 -34.3 77 95 T N > - 0 0 67 5,-2.0 4,-2.8 1,-0.1 5,-0.4 -0.955 8.7-163.0-119.4 110.3 37.4 73.7 -31.4 78 96 T S T 4 S+ 0 0 84 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.649 88.4 53.7 -68.1 -15.2 40.7 75.7 -31.9 79 97 T N T 4 S+ 0 0 144 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.850 125.9 19.3 -86.9 -37.5 40.9 76.6 -28.2 80 98 T T T 4 S- 0 0 49 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.597 93.8-130.7-105.7 -16.4 40.6 73.1 -26.8 81 99 T L >< + 0 0 32 -4,-2.8 3,-1.0 1,-0.3 -3,-0.2 0.670 48.4 162.3 70.4 17.8 41.6 71.1 -29.9 82 100 T N T 3 + 0 0 33 -5,-0.4 -5,-2.0 1,-0.3 -1,-0.3 -0.495 67.4 17.6 -67.0 137.4 38.5 68.9 -29.3 83 101 T N T 3 S+ 0 0 17 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.884 80.6 177.3 64.7 41.3 37.7 67.1 -32.5 84 102 T D < + 0 0 0 -3,-1.0 2,-0.3 75,-0.2 -1,-0.2 -0.499 34.3 114.0 -78.7 76.6 41.2 67.7 -33.9 85 103 T I - 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