==== 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 1UTO . 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) . 9180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 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 . 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 . 21 9.4 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 1 3 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,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 122.7 51.9 14.1 48.2 2 17 A V B +A 171 0A 11 169,-2.9 169,-1.9 1,-0.2 123,-0.1 -0.869 360.0 9.5-103.5 133.0 54.1 14.0 51.3 3 18 A G S S+ 0 0 41 121,-0.5 -1,-0.2 -2,-0.4 167,-0.1 0.692 103.3 116.1 80.8 15.4 55.6 10.8 52.4 4 19 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.040 57.6-114.2-101.3-159.4 54.6 8.9 49.3 5 20 A Y E -B 137 0B 94 132,-2.4 132,-2.6 -3,-0.1 2,-0.4 -0.950 35.3 -86.4-138.6 158.6 56.3 7.2 46.3 6 21 A T E -B 136 0B 71 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.506 36.2-151.7 -66.4 121.0 56.7 7.6 42.6 7 22 A a - 0 0 18 128,-2.2 -1,-0.2 -2,-0.4 129,-0.1 0.940 34.5-118.4 -62.7 -42.4 53.7 5.8 41.1 8 23 A G > - 0 0 27 127,-0.5 3,-1.9 -3,-0.1 4,-0.3 -0.031 47.2 -52.0 100.8 144.0 55.4 4.9 37.8 9 24 A A T 3 S- 0 0 58 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.244 119.5 -9.7 -57.9 128.1 54.3 6.1 34.5 10 25 A N T 3 S+ 0 0 33 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.586 90.4 126.5 64.0 20.4 50.6 5.6 33.7 11 26 A T S < S+ 0 0 80 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.589 77.5 45.3 -76.4 -15.8 50.1 3.3 36.7 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-2.1 87,-0.1 -1,-0.3 -0.738 75.1 173.4-122.9 71.1 47.1 5.6 37.8 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.631 72.1 56.6 -72.4 -10.9 45.5 5.9 34.4 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.448 81.7 109.8 -88.9 -8.5 42.4 7.7 35.6 15 30 A Q E < -J 28 0C 5 -3,-2.1 36,-0.4 13,-0.2 37,-0.4 -0.575 49.5-172.7 -72.0 128.5 44.5 10.5 37.1 16 31 A V E -J 27 0C 0 11,-2.5 11,-1.2 -2,-0.3 2,-0.5 -0.850 18.9-141.0-118.0 156.6 44.2 13.8 35.3 17 32 A S E -JK 26 49C 0 32,-2.3 32,-2.7 -2,-0.3 2,-0.5 -0.977 15.0-143.1-110.3 128.4 46.0 17.1 35.6 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.6 -2,-0.5 7,-1.0 -0.865 23.8-166.2 -90.5 129.2 44.0 20.3 35.1 19 34 A N E +JK 23 47C 20 28,-2.9 28,-2.6 -2,-0.5 4,-0.2 -0.962 31.8 167.5-126.1 127.8 46.0 22.9 33.3 20 37 A S S S- 0 0 29 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.291 97.5 -47.1-126.0 45.2 45.5 26.6 32.9 21 38 A G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.156 140.5 28.5 105.2 -9.2 49.0 27.3 31.5 22 39 A Y S S- 0 0 134 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.928 103.5 -80.3-170.4 153.4 50.4 25.2 34.4 23 40 A H E +J 19 0C 38 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.481 52.0 158.6 -64.3 131.8 49.2 22.3 36.5 24 41 A F E + 0 0 34 -6,-2.6 2,-0.3 1,-0.4 151,-0.2 0.575 57.6 3.5-130.7 -15.7 46.9 23.6 39.2 25 42 A b E -J 18 0C 6 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.972 61.6-121.8-161.0 161.1 44.7 20.6 40.4 26 43 A G E +J 17 0C 1 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.401 28.1 174.3 -95.1 179.4 44.1 16.9 39.9 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.5 -2,-0.1 2,-0.4 -0.952 25.7-114.0-170.9 177.3 41.0 15.2 38.8 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.5 -2,-0.3 2,-0.5 -0.994 19.2-129.0-132.0 131.1 39.7 11.8 37.9 29 46 A L E + L 0 35C 1 -15,-2.4 74,-2.5 -2,-0.4 6,-0.2 -0.653 27.5 173.7 -77.2 119.5 38.4 10.4 34.6 30 47 A I E - 0 0 19 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.685 68.3 -13.1-108.2 -16.3 35.0 8.8 35.2 31 48 A N E > S- L 0 34C 47 3,-1.3 3,-1.0 70,-0.1 -1,-0.3 -0.909 90.5 -75.4-162.2-177.0 34.1 8.1 31.5 32 49 A S T 3 S+ 0 0 33 -2,-0.3 62,-3.3 1,-0.2 60,-0.1 0.723 128.0 29.2 -66.4 -13.5 35.4 9.3 28.2 33 50 A Q T 3 S+ 0 0 80 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.423 110.0 70.1-122.6 7.7 33.9 12.7 28.3 34 51 A W E < -LM 31 89C 1 -3,-1.0 -4,-2.6 55,-0.2 -3,-1.3 -0.987 48.5-169.9-137.8 136.7 33.7 13.6 32.1 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.6 -2,-0.4 2,-0.4 -0.940 13.9-145.8-117.6 138.6 36.2 14.4 34.9 36 53 A V E +LM 28 87C 0 -8,-2.5 -8,-2.4 -2,-0.4 2,-0.2 -0.909 34.2 147.4 -97.4 131.4 35.4 14.7 38.6 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.2 -2,-0.4 2,-0.3 -0.793 49.8 -69.9-144.5-170.6 37.4 17.2 40.6 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.698 31.3-133.0 -86.4 141.5 37.0 19.6 43.6 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.839 107.6 65.1 -59.9 -30.2 34.7 22.6 43.4 40 57 A H G 3 S+ 0 0 61 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.649 93.4 63.5 -72.4 -8.2 37.5 24.7 44.9 41 58 A b G < S+ 0 0 5 -3,-1.5 -1,-0.3 -15,-0.1 -2,-0.2 0.390 76.7 132.6 -85.7 -2.7 39.5 23.9 41.7 42 59 A Y < + 0 0 136 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.319 21.9 136.7 -53.2 136.1 36.9 25.8 39.6 43 60 A K - 0 0 54 -2,-0.0 3,-0.3 3,-0.0 2,-0.1 -0.945 50.6-104.4-166.4 159.7 38.2 28.2 37.0 44 61 A S S S+ 0 0 97 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.417 95.4 39.2 -73.7 156.7 37.6 29.2 33.5 45 62 A G S S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.876 74.8 169.9 75.8 36.8 40.0 28.1 30.7 46 63 A I - 0 0 9 -3,-0.3 21,-2.6 21,-0.1 2,-0.5 -0.676 19.4-166.7 -89.4 132.6 40.7 24.6 31.9 47 64 A Q E -KN 19 66C 51 -28,-2.6 -28,-2.9 -2,-0.4 2,-0.5 -0.978 17.4-139.6-108.8 130.1 42.6 22.1 29.7 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.7 -2,-0.5 2,-0.6 -0.774 12.4-158.8 -88.4 129.4 42.4 18.5 30.9 49 66 A R E -KN 17 64C 50 -32,-2.7 -32,-2.3 -2,-0.5 3,-0.3 -0.958 13.9-178.7-115.7 112.9 45.6 16.6 30.5 50 67 A L E + N 0 63C 3 13,-3.0 13,-2.1 -2,-0.6 -34,-0.1 -0.683 60.6 32.3-105.1 157.0 45.2 12.8 30.5 51 69 A G S S+ 0 0 4 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.721 84.4 155.4 70.5 21.9 47.9 10.1 30.2 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.600 22.3 150.7 -86.4 145.1 50.4 12.2 32.1 53 71 A D S S+ 0 0 13 1,-0.4 2,-0.8 -2,-0.3 -1,-0.2 0.404 81.0 29.9-122.5 -81.6 53.4 11.1 34.1 54 72 A N S > S- 0 0 26 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.703 72.1-160.5 -76.1 114.3 56.0 13.9 33.9 55 73 A I T 3 S+ 0 0 29 78,-2.6 -1,-0.2 -2,-0.8 79,-0.1 0.545 88.4 51.6 -72.3 -6.1 53.8 17.1 33.6 56 74 A N T 3 S+ 0 0 119 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.310 106.3 57.9-109.1 2.1 56.8 19.1 32.2 57 75 A V S < S- 0 0 73 -3,-1.2 2,-0.7 76,-0.2 -4,-0.3 -1.000 77.0-129.8-136.3 131.7 57.8 16.6 29.4 58 76 A V + 0 0 114 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.772 33.9 170.3 -81.2 113.4 55.9 15.2 26.5 59 77 A E - 0 0 93 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.566 52.0 -97.3-109.2 -14.5 56.5 11.5 26.9 60 78 A G S S+ 0 0 54 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.400 103.7 76.2 119.1 -6.2 54.1 10.1 24.4 61 79 A N + 0 0 54 -10,-0.3 -9,-0.1 38,-0.1 2,-0.1 0.318 66.4 122.8-116.3 10.6 50.9 9.0 26.1 62 80 A E - 0 0 38 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.342 38.2-169.3 -77.3 152.5 49.2 12.4 26.7 63 81 A Q E -N 50 0C 36 -13,-2.1 -13,-3.0 -2,-0.1 2,-0.6 -0.981 7.1-164.2-133.5 122.5 45.9 13.6 25.6 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.953 16.9 169.3-109.6 120.7 45.2 17.3 26.0 65 83 A I E -N 48 0C 15 -17,-2.7 -17,-3.2 -2,-0.6 2,-0.1 -0.995 30.2-125.8-138.4 124.0 41.5 18.2 25.7 66 84 A S E -N 47 0C 51 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.423 28.7-113.3 -64.9 143.6 39.8 21.5 26.6 67 85 A A E -O 90 0C 24 -21,-2.6 23,-0.3 23,-0.2 3,-0.1 -0.575 24.1-169.5 -71.6 139.1 36.9 21.5 29.0 68 86 A S E S+ 0 0 65 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.702 71.7 8.0 -96.0 -26.4 33.6 22.5 27.3 69 87 A K E -O 89 0C 95 20,-1.2 20,-2.7 2,-0.0 2,-0.4 -0.983 58.2-157.3-158.5 140.3 31.6 22.9 30.6 70 88 A S E -O 88 0C 44 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.972 7.7-166.5-119.3 139.8 32.2 22.9 34.3 71 89 A I E -O 87 0C 36 16,-3.0 16,-2.5 -2,-0.4 2,-0.2 -0.910 4.8-161.6-130.0 99.7 29.4 22.1 36.8 72 90 A V E -O 86 0C 48 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.588 43.0 -86.8 -73.8 146.3 30.2 23.0 40.4 73 91 A H > - 0 0 21 12,-2.2 3,-1.9 10,-0.3 -1,-0.1 -0.208 35.3-122.7 -54.5 139.5 27.9 21.2 42.9 74 92 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.811 110.7 40.8 -56.1 -31.0 24.7 23.2 43.5 75 93 A S T 3 S+ 0 0 72 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.183 79.0 143.9-106.5 14.0 25.3 23.3 47.2 76 94 A Y < - 0 0 55 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.361 31.8-163.2 -55.8 132.3 29.1 24.0 47.2 77 95 A N > - 0 0 64 5,-2.2 4,-2.2 1,-0.1 5,-0.5 -0.964 7.5-165.8-118.6 108.0 30.0 26.3 50.0 78 96 A S T 4 S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.704 85.9 58.8 -71.5 -17.6 33.5 27.9 49.5 79 97 A N T 4 S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.920 124.3 18.2 -73.2 -46.5 33.7 29.1 53.1 80 98 A T T 4 S- 0 0 74 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.558 96.6-127.7-101.3 -11.7 33.3 25.6 54.6 81 99 A L >< + 0 0 29 -4,-2.2 3,-0.9 1,-0.3 2,-0.2 0.571 51.1 158.9 63.4 18.1 34.2 23.4 51.6 82 100 A N T 3 + 0 0 36 -5,-0.5 -5,-2.2 1,-0.3 -1,-0.3 -0.465 67.7 16.2 -67.6 139.4 31.0 21.5 52.1 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.898 80.4 178.8 63.5 47.1 30.0 19.8 48.9 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.461 34.8 112.7 -83.1 74.6 33.5 20.2 47.4 85 103 A I + 0 0 0 -2,-2.0 -12,-2.2 -47,-0.3 2,-0.3 -0.997 37.0 178.9-148.5 145.9 32.9 18.5 44.0 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.6 -2,-0.3 2,-0.4 -0.994 18.2-140.6-150.5 140.2 32.7 19.6 40.4 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-3.0 -2,-0.3 2,-0.4 -0.857 13.2-163.3-101.8 142.2 32.2 17.9 37.1 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.5 -2,-0.4 2,-0.4 -0.997 7.1-150.6-126.4 121.1 34.1 18.9 33.9 89 107 A K E -MO 34 69C 43 -20,-2.7 -21,-2.9 -2,-0.4 -20,-1.2 -0.830 17.4-129.0 -91.7 137.2 32.9 17.9 30.5 90 108 A L E - 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0 0 30 -88,-1.6 -72,-0.3 -2,-0.4 2,-0.2 -0.985 43.2-110.6-147.5 151.6 41.1 4.9 31.6 102 120 A S - 0 0 57 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.2 -0.474 22.2-134.6 -83.9 158.6 38.1 5.7 33.7 103 121 A I - 0 0 17 -74,-2.5 2,-0.1 -89,-0.2 83,-0.1 -0.903 26.1-115.4-108.6 134.7 37.6 5.0 37.4 104 122 A S B -c 186 0B 68 81,-0.6 83,-2.6 -2,-0.4 3,-0.1 -0.430 23.8-121.7 -69.0 148.5 34.3 3.5 38.6 105 123 A L - 0 0 30 81,-0.2 83,-0.1 -75,-0.2 -1,-0.1 -0.547 41.6 -87.2 -81.2 154.2 32.0 5.4 41.0 106 124 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.237 20.8-159.0 -62.6 152.0 31.1 3.9 44.3 107 125 A T S S- 0 0 118 1,-0.4 2,-0.3 -3,-0.1 -2,-0.0 0.540 83.8 -7.4 -98.3 -23.2 28.2 1.5 44.7 108 127 A S S S- 0 0 79 0, 0.0 -1,-0.4 0, 0.0 102,-0.1 -0.914 92.2 -73.7-162.0 170.0 28.2 2.3 48.5 109 128 A c - 0 0 55 -2,-0.3 2,-0.2 -3,-0.1 -2,-0.1 -0.246 46.8-116.7 -73.2 158.0 30.4 4.2 51.0 110 129 A A - 0 0 30 78,-0.1 2,-0.2 4,-0.0 -1,-0.1 -0.625 27.9-117.4 -97.7 158.6 33.7 2.9 52.2 111 130 A S > - 0 0 79 -2,-0.2 3,-2.2 1,-0.1 31,-0.3 -0.638 30.6 -90.4 -97.2 146.6 34.5 1.9 55.8 112 132 A A T 3 S+ 0 0 66 1,-0.3 31,-0.2 -2,-0.2 -1,-0.1 -0.312 115.6 30.9 -48.0 138.4 36.9 3.3 58.3 113 133 A G T 3 S+ 0 0 52 29,-2.7 -1,-0.3 1,-0.3 2,-0.2 0.146 84.2 135.6 87.3 -11.8 40.2 1.3 58.0 114 134 A T < - 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