==== 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 09-DEC-03 1UTN . COMPND 2 MOLECULE: TRYPSINOGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR H.-K.S.LEIROS,B.O.BRANDSDAL,O.A.ANDERSEN,V.OS,I.LEIROS, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 58.7 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 . 67 30.0 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 . 15 6.7 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 . 13 5.8 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 1 0 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 . 2 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 0.000 360.0 360.0 360.0 121.2 35.4 21.0 19.0 2 17 A V B +A 171 0A 10 169,-3.1 169,-1.9 1,-0.2 123,-0.1 -0.876 360.0 5.7 -98.9 131.4 37.7 20.4 16.0 3 18 A G S S+ 0 0 43 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.709 102.6 116.2 75.4 22.2 39.4 23.3 14.3 4 19 A G - 0 0 37 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.046 57.6-109.2-101.9-151.9 38.2 25.9 16.8 5 20 A Y E -B 137 0B 95 132,-2.4 132,-2.7 -3,-0.1 2,-0.5 -0.940 34.5 -86.7-141.8 157.7 39.9 28.2 19.4 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.559 37.1-150.8 -68.3 122.7 40.3 28.6 23.1 7 22 A a - 0 0 18 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.906 34.5-114.2 -61.2 -44.6 37.3 30.7 24.2 8 23 A G > - 0 0 25 127,-0.5 3,-1.9 -3,-0.1 4,-0.3 0.074 47.6 -56.8 104.6 136.4 38.9 32.4 27.2 9 24 A A T 3 S- 0 0 49 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.246 116.7 -12.3 -57.1 127.4 37.9 31.8 30.7 10 25 A N T 3 S+ 0 0 24 42,-0.4 -1,-0.3 2,-0.2 43,-0.1 0.559 91.7 125.4 61.7 22.2 34.2 32.4 31.5 11 26 A T S < S+ 0 0 85 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.556 77.7 47.6 -79.6 -7.6 33.6 34.2 28.2 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-1.9 87,-0.1 -1,-0.2 -0.725 75.0 170.8-126.5 70.0 30.8 31.7 27.6 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.617 70.6 57.5 -74.5 -6.0 29.1 32.0 31.0 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.477 81.7 108.9 -92.1 -10.4 26.0 30.0 30.1 15 30 A Q E < -J 28 0C 5 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.600 49.1-174.3 -70.8 129.4 28.1 26.9 29.2 16 31 A V E -J 27 0C 1 11,-2.5 11,-1.1 -2,-0.3 2,-0.4 -0.851 19.6-139.8-118.2 157.9 27.8 24.0 31.7 17 32 A S E -JK 26 49C 1 32,-2.4 32,-2.9 -2,-0.3 2,-0.5 -0.954 15.5-142.6-108.8 133.0 29.6 20.7 32.0 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.6 -2,-0.4 7,-1.0 -0.888 22.9-167.3 -95.6 129.0 27.5 17.7 33.0 19 34 A N E +JK 23 47C 21 28,-2.7 28,-2.6 -2,-0.5 4,-0.2 -0.963 30.0 167.4-127.4 130.4 29.5 15.4 35.3 20 37 A S S S- 0 0 31 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.340 97.4 -47.1-127.9 47.3 28.8 11.9 36.4 21 38 A G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.232 140.4 28.9 100.2 -9.7 32.2 11.2 37.8 22 39 A Y S S- 0 0 133 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.922 102.2 -82.0-167.8 154.0 33.7 12.7 34.6 23 40 A H E +J 19 0C 38 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.535 52.1 157.5 -64.0 133.3 32.6 15.2 32.0 24 41 A F E + 0 0 31 -6,-2.6 2,-0.3 1,-0.4 151,-0.2 0.563 56.8 3.2-132.8 -15.5 30.3 13.6 29.5 25 42 A b E -J 18 0C 8 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.982 60.7-121.4-161.7 161.2 28.2 16.4 27.9 26 43 A G E +J 17 0C 1 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.454 26.4 178.1 -95.0-178.8 27.6 20.1 27.7 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.5 -2,-0.2 2,-0.4 -0.964 24.6-115.2-170.1 175.7 24.5 22.1 28.4 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.5 -0.992 19.6-131.2-131.1 127.6 23.2 25.6 28.5 29 46 A L E + L 0 35C 0 -15,-2.4 74,-2.7 -2,-0.4 6,-0.2 -0.656 26.5 174.0 -78.0 119.5 22.0 27.6 31.6 30 47 A I E - 0 0 19 4,-2.6 2,-0.3 -2,-0.5 75,-0.2 0.587 67.8 -13.1-107.0 -13.0 18.6 29.2 30.7 31 48 A N E > S- L 0 34C 51 3,-1.1 3,-0.8 70,-0.1 -1,-0.3 -0.905 90.8 -74.0-163.4-170.4 17.8 30.6 34.2 32 49 A S T 3 S+ 0 0 36 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.634 128.1 30.3 -70.3 -14.7 19.1 30.1 37.7 33 50 A Q T 3 S+ 0 0 74 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.457 108.9 68.1-119.4 -4.6 17.5 26.7 38.1 34 51 A W E < -LM 31 89C 5 -3,-0.8 -4,-2.6 55,-0.2 -3,-1.1 -0.973 47.5-169.6-134.5 139.1 17.4 25.1 34.6 35 52 A V E -LM 29 88C 0 53,-2.8 53,-2.6 -2,-0.4 2,-0.5 -0.950 14.9-146.0-118.3 138.2 19.8 23.7 32.0 36 53 A V E +LM 28 87C 0 -8,-2.8 -8,-2.4 -2,-0.4 2,-0.2 -0.895 34.1 150.0-100.4 131.6 18.9 22.7 28.5 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.2 -2,-0.5 2,-0.4 -0.717 49.5 -71.0-141.3-171.7 20.9 19.8 27.0 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.749 31.8-133.4 -86.0 139.8 20.5 16.9 24.5 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-2.2 1,-0.3 -1,-0.1 0.841 107.1 65.8 -59.6 -30.5 18.1 14.1 25.4 40 57 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.647 93.3 62.6 -69.7 -7.8 20.9 11.7 24.2 41 58 A b G < S+ 0 0 5 -3,-1.8 -1,-0.3 -15,-0.1 -2,-0.2 0.408 77.9 131.5 -88.1 -2.5 22.9 13.0 27.2 42 59 A Y < + 0 0 130 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.300 20.6 135.5 -54.2 137.6 20.3 11.7 29.7 43 60 A K - 0 0 54 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.927 51.2-101.0-164.5 165.9 21.6 9.7 32.7 44 61 A S S S+ 0 0 95 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.468 95.6 39.1 -81.2 161.5 20.9 9.5 36.4 45 62 A G S S+ 0 0 69 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.832 74.2 172.6 74.7 36.2 23.2 11.1 38.9 46 63 A I - 0 0 8 -3,-0.3 21,-2.8 -26,-0.1 2,-0.5 -0.619 19.0-164.7 -83.4 135.8 24.1 14.3 37.0 47 64 A Q E -KN 19 66C 50 -28,-2.6 -28,-2.7 -2,-0.4 2,-0.5 -0.976 16.1-141.9-110.9 126.9 26.1 17.0 38.7 48 65 A V E -KN 18 65C 0 17,-2.8 17,-2.7 -2,-0.5 2,-0.6 -0.761 11.0-158.3 -90.3 130.6 25.9 20.4 36.8 49 66 A R E -KN 17 64C 50 -32,-2.9 -32,-2.4 -2,-0.5 3,-0.3 -0.942 13.9-179.3-116.2 114.3 29.2 22.3 36.8 50 67 A L E + N 0 63C 1 13,-3.1 13,-2.4 -2,-0.6 -34,-0.1 -0.705 60.9 33.7-108.0 155.2 28.8 26.0 36.1 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.680 83.6 155.4 77.4 15.5 31.6 28.7 35.9 52 70 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.568 21.5 149.8 -81.7 141.1 34.1 26.2 34.4 53 71 A D S S+ 0 0 13 1,-0.4 2,-0.7 4,-0.3 -1,-0.2 0.388 82.3 29.8-119.3 -78.1 37.1 26.9 32.2 54 72 A N S > S- 0 0 18 80,-0.2 3,-0.9 1,-0.2 -1,-0.4 -0.701 72.8-162.5 -77.0 114.3 39.6 24.1 32.9 55 73 A I T 3 S+ 0 0 26 78,-2.6 -1,-0.2 -2,-0.7 79,-0.1 0.628 85.7 54.5 -75.8 -9.8 37.4 21.2 33.8 56 74 A N T 3 S+ 0 0 121 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.436 105.6 54.5-101.1 -1.7 40.3 19.3 35.5 57 75 A V S < S- 0 0 75 -3,-0.9 2,-0.8 76,-0.1 -4,-0.3 -1.000 78.4-128.1-133.8 133.1 41.4 22.1 37.9 58 76 A V + 0 0 112 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.754 33.9 173.3 -78.5 115.1 39.3 24.0 40.5 59 77 A E - 0 0 101 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.559 50.9 -96.9-104.8 -17.1 40.2 27.6 39.5 60 78 A G S S+ 0 0 57 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.251 103.9 74.7 126.7 -16.4 37.8 29.5 41.8 61 79 A N + 0 0 67 -10,-0.3 2,-0.1 38,-0.0 -9,-0.0 0.269 66.5 121.4-110.6 13.3 34.7 30.5 39.9 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.391 41.3-164.5 -79.1 153.3 32.9 27.2 39.8 63 81 A Q E -N 50 0C 41 -13,-2.4 -13,-3.1 -2,-0.1 2,-0.6 -0.977 7.2-164.7-128.0 122.2 29.5 26.2 41.1 64 82 A F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.933 16.8 170.0-106.1 117.6 28.8 22.5 41.4 65 83 A I E -N 48 0C 14 -17,-2.7 -17,-2.8 -2,-0.6 2,-0.1 -0.989 28.7-127.5-135.4 126.5 25.1 21.7 41.8 66 84 A S E -N 47 0C 53 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.433 27.2-113.0 -69.8 147.3 23.4 18.4 41.7 67 85 A A E -O 90 0C 20 -21,-2.8 23,-0.3 23,-0.2 3,-0.1 -0.547 21.4-167.7 -73.1 140.3 20.5 17.8 39.4 68 86 A S E S- 0 0 60 21,-2.7 2,-0.3 1,-0.4 22,-0.1 0.692 72.2 -3.1 -95.6 -24.6 17.1 17.2 41.2 69 87 A K E -O 89 0C 76 20,-1.0 20,-2.7 2,-0.0 -1,-0.4 -0.977 56.5-152.1-163.5 150.8 15.3 16.0 38.1 70 88 A S E -O 88 0C 37 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.978 8.6-161.6-128.3 146.3 15.7 15.6 34.4 71 89 A I E -O 87 0C 37 16,-2.7 16,-2.5 -2,-0.4 2,-0.2 -0.942 6.1-157.4-133.0 109.3 12.9 15.8 31.8 72 90 A V E -O 86 0C 50 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.629 40.1 -89.7 -82.1 143.2 13.5 14.3 28.3 73 91 A H > - 0 0 23 12,-2.2 3,-1.8 10,-0.3 -1,-0.1 -0.253 35.0-125.1 -52.9 137.8 11.3 15.6 25.5 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.694 108.8 42.5 -63.1 -19.6 8.1 13.5 25.3 75 93 A S T 3 S+ 0 0 74 8,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.197 79.5 140.9-112.7 16.6 8.7 12.8 21.6 76 94 A Y < - 0 0 55 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.402 32.5-164.8 -59.8 130.1 12.4 12.1 21.8 77 95 A N > - 0 0 64 5,-2.1 4,-2.2 -2,-0.1 5,-0.5 -0.961 9.3-164.7-118.3 110.0 13.4 9.3 19.5 78 96 A S T 4 S+ 0 0 78 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.661 87.4 58.8 -70.5 -17.4 16.9 8.0 20.2 79 97 A N T 4 S+ 0 0 145 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.928 123.4 19.2 -73.0 -47.4 17.0 6.1 16.9 80 98 A T T 4 S- 0 0 72 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.560 97.0-129.4 -98.6 -13.1 16.5 9.2 14.7 81 99 A L >< + 0 0 30 -4,-2.2 3,-0.9 1,-0.3 -3,-0.2 0.529 50.3 159.5 61.4 19.1 17.5 11.8 17.3 82 100 A N T 3 + 0 0 37 -5,-0.5 -5,-2.1 1,-0.2 -1,-0.3 -0.450 68.0 13.7 -65.8 133.8 14.3 13.7 16.5 83 101 A N T 3 S+ 0 0 19 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.890 79.4 179.1 64.0 45.4 13.5 16.0 19.4 84 102 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.500 35.4 115.7 -80.1 75.8 17.0 15.6 21.0 85 103 A I + 0 0 0 -2,-2.0 -12,-2.2 -47,-0.3 2,-0.3 -0.996 36.2 177.7-149.2 144.1 16.4 18.0 23.9 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.7 -2,-0.3 2,-0.4 -0.985 19.6-139.9-145.3 146.2 16.2 17.6 27.7 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-2.7 -2,-0.3 2,-0.4 -0.915 14.6-164.3-107.4 141.2 15.7 19.9 30.7 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.8 -2,-0.4 2,-0.4 -0.991 8.5-149.3-125.7 124.6 17.8 19.5 33.9 89 107 A K E -MO 34 69C 35 -20,-2.7 -21,-2.7 -2,-0.4 -20,-1.0 -0.819 13.6-130.9 -97.0 137.0 16.7 21.1 37.1 90 108 A L E - 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