==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-MAY-01 1J8A . COMPND 2 MOLECULE: TRYPSINOGEN, CATIONIC; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.A.CUESTA-SEIJO,S.GARCIA-GRANDA . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9230.0 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 . 71 31.8 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 . 15 6.7 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 . 4 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 0.000 360.0 360.0 360.0 122.1 -8.0 8.7 18.6 2 17 A V B +A 171 0A 9 169,-3.1 169,-1.9 1,-0.2 123,-0.1 -0.867 360.0 5.7-102.3 131.3 -10.3 9.5 15.6 3 18 A G S S+ 0 0 47 121,-0.6 -1,-0.2 -2,-0.5 169,-0.1 0.704 103.2 115.5 73.6 20.1 -12.0 6.6 13.7 4 19 A G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.027 58.7-109.6-100.0-152.2 -10.8 3.9 16.1 5 20 A Y E -B 137 0B 98 132,-2.7 132,-3.1 -3,-0.1 2,-0.5 -0.936 34.4 -86.3-142.5 161.9 -12.5 1.5 18.5 6 21 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.600 37.5-151.1 -70.4 119.7 -12.9 0.9 22.2 7 22 A a - 0 0 17 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.905 34.8-113.6 -60.1 -43.4 -9.9 -1.1 23.2 8 23 A G > - 0 0 26 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.044 48.0 -55.6 110.7 142.1 -11.5 -3.0 26.1 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.248 117.5 -12.9 -58.5 124.0 -10.5 -2.6 29.7 10 25 A N T 3 S+ 0 0 26 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.690 91.5 127.7 59.7 25.4 -6.8 -3.2 30.4 11 26 A T S < S+ 0 0 84 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.531 73.5 49.8 -85.1 -7.3 -6.2 -4.8 27.0 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-2.1 87,-0.1 -1,-0.3 -0.700 74.9 177.0-127.9 75.3 -3.2 -2.4 26.4 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.620 73.0 55.8 -60.1 -17.3 -1.4 -3.0 29.7 14 29 A Y T 3 S+ 0 0 19 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.482 82.1 108.4 -92.9 -6.3 1.6 -0.8 28.9 15 30 A Q E < -J 28 0C 5 -3,-2.1 36,-0.4 13,-0.2 37,-0.4 -0.570 47.8-177.3 -75.6 128.5 -0.6 2.3 28.2 16 31 A V E -J 27 0C 1 11,-2.4 11,-1.1 -2,-0.3 2,-0.4 -0.831 21.7-137.5-122.6 163.9 -0.4 4.9 30.9 17 32 A S E -JK 26 49C 1 32,-2.2 32,-2.8 -2,-0.3 2,-0.5 -0.980 15.2-141.8-117.7 129.7 -2.1 8.3 31.5 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.6 -2,-0.4 7,-1.0 -0.854 25.8-168.0 -92.8 127.4 -0.0 11.2 32.7 19 34 A N E +JK 23 47C 17 28,-2.8 28,-2.5 -2,-0.5 4,-0.2 -0.954 31.4 168.0-124.7 132.1 -2.1 13.2 35.1 20 37 A S S S- 0 0 32 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.316 98.2 -44.6-132.2 47.9 -1.5 16.7 36.7 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.179 141.0 27.2 105.7 -10.6 -5.0 17.0 38.1 22 39 A Y S S- 0 0 129 -4,-0.0 -2,-2.1 0, 0.0 2,-0.2 -0.937 102.3 -80.1-169.2 157.4 -6.4 15.7 34.8 23 40 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.498 51.6 158.3 -66.1 134.3 -5.3 13.5 32.0 24 41 A F E + 0 0 27 -6,-2.6 2,-0.3 1,-0.5 151,-0.2 0.537 58.0 3.7-133.7 -14.6 -3.0 15.4 29.6 25 42 A b E -J 18 0C 8 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.5 -0.981 62.9-119.2-163.3 160.9 -0.9 12.9 27.7 26 43 A G E +J 17 0C 0 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.410 27.9 178.2 -95.4 179.3 -0.3 9.2 27.2 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.1 2,-0.4 -0.949 24.1-118.3-168.3 172.2 2.9 7.2 27.9 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.9 -2,-0.3 2,-0.5 -0.994 19.6-130.4-129.7 130.0 4.2 3.7 27.7 29 46 A L E + L 0 35C 1 -15,-2.3 74,-2.2 -2,-0.4 6,-0.2 -0.664 27.3 173.2 -78.6 123.5 5.5 1.6 30.6 30 47 A I E - 0 0 19 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.585 66.8 -11.4-109.3 -13.3 8.9 0.1 29.7 31 48 A N E > S- L 0 34C 50 3,-1.2 3,-0.6 70,-0.1 -1,-0.3 -0.933 89.5 -75.5-165.2-179.8 9.9 -1.5 33.0 32 49 A S T 3 S+ 0 0 42 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.699 128.5 29.5 -62.6 -16.9 8.6 -1.3 36.6 33 50 A Q T 3 S+ 0 0 74 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.500 109.9 69.2-118.9 -5.7 10.1 2.2 37.2 34 51 A W E < -LM 31 89C 0 -3,-0.6 -4,-2.6 55,-0.2 -3,-1.2 -0.958 46.9-170.7-131.8 142.4 10.1 3.9 33.8 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.6 -2,-0.4 2,-0.4 -0.943 14.8-145.4-123.9 139.7 7.7 5.4 31.4 36 53 A V E +LM 28 87C 0 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.2 -0.897 34.5 147.3-102.7 131.5 8.4 6.7 27.8 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.2 -2,-0.4 2,-0.4 -0.775 50.1 -68.8-144.7-168.0 6.4 9.7 26.6 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.740 32.2-134.2 -91.6 139.4 6.8 12.7 24.3 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.837 106.0 64.7 -59.1 -31.7 9.1 15.6 25.3 40 57 A H G 3 S+ 0 0 70 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.626 93.8 62.6 -71.1 -5.5 6.3 18.0 24.4 41 58 A b G < S+ 0 0 4 -3,-1.8 -1,-0.3 -15,-0.1 -2,-0.2 0.405 77.9 131.0 -91.3 -1.9 4.3 16.5 27.3 42 59 A Y < + 0 0 133 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.258 20.3 136.9 -57.2 137.6 6.9 17.6 29.8 43 60 A K - 0 0 58 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.934 50.6-103.4-167.7 160.3 5.6 19.4 32.9 44 61 A S S S+ 0 0 97 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.490 95.1 41.5 -87.2 163.9 6.4 19.2 36.6 45 62 A G S S+ 0 0 67 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.869 74.3 170.1 71.6 38.4 4.1 17.5 39.1 46 63 A I - 0 0 7 -3,-0.3 21,-2.8 -26,-0.1 2,-0.5 -0.653 20.9-164.1 -86.5 135.2 3.2 14.5 37.0 47 64 A Q E -KN 19 66C 50 -28,-2.5 -28,-2.8 -2,-0.3 2,-0.5 -0.989 17.0-140.8-113.9 126.5 1.4 11.5 38.5 48 65 A V E -KN 18 65C 0 17,-2.9 17,-2.7 -2,-0.5 2,-0.6 -0.757 11.8-156.9 -89.0 128.4 1.6 8.4 36.4 49 65AA R E -KN 17 64C 51 -32,-2.8 -32,-2.2 -2,-0.5 3,-0.3 -0.933 14.0-177.5-113.5 112.6 -1.7 6.4 36.2 50 66 A L E + N 0 63C 2 13,-3.1 13,-1.9 -2,-0.6 -34,-0.1 -0.641 60.3 30.7-102.8 159.1 -1.3 2.8 35.3 51 69 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.711 83.9 155.4 67.2 22.5 -4.0 0.1 34.8 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.548 22.5 151.4 -86.6 142.6 -6.5 2.6 33.6 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.7 4,-0.3 -1,-0.2 0.339 81.4 30.0-122.1 -81.7 -9.5 2.1 31.4 54 72 A N S > S- 0 0 28 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.672 73.2-159.8 -77.7 115.3 -12.1 4.8 32.3 55 73 A I T 3 S+ 0 0 28 78,-2.5 -1,-0.2 -2,-0.7 79,-0.1 0.549 87.6 52.3 -75.3 -4.1 -9.9 7.7 33.5 56 74 A N T 3 S+ 0 0 124 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.346 105.5 57.4-109.4 3.5 -12.8 9.3 35.3 57 75 A V S < S- 0 0 75 -3,-1.2 2,-0.8 76,-0.1 -4,-0.3 -1.000 77.9-128.8-136.4 134.6 -13.8 6.2 37.4 58 76 A V + 0 0 114 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.761 34.0 172.4 -82.7 113.0 -11.8 4.1 39.8 59 77 A E - 0 0 97 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.537 50.4 -96.3-103.0 -12.0 -12.5 0.6 38.5 60 78 A G S S+ 0 0 60 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.313 104.5 72.4 120.1 -11.7 -10.1 -1.5 40.5 61 79 A N + 0 0 63 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.296 67.0 122.6-119.6 10.3 -6.9 -2.1 38.6 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.313 39.2-167.8 -74.7 152.4 -5.3 1.3 38.8 63 81 A Q E -N 50 0C 39 -13,-1.9 -13,-3.1 -2,-0.1 2,-0.6 -0.958 7.8-164.1-135.7 116.9 -1.9 2.1 40.2 64 82 A F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.930 16.5 170.0-104.1 120.1 -1.3 5.9 40.8 65 83 A I E -N 48 0C 14 -17,-2.7 -17,-2.9 -2,-0.6 2,-0.1 -0.991 29.3-127.6-136.3 125.5 2.4 6.7 41.3 66 84 A S E -N 47 0C 50 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.383 29.0-111.4 -69.4 147.1 4.0 10.1 41.3 67 85 A A E -O 90 0C 19 -21,-2.8 23,-0.3 23,-0.2 3,-0.1 -0.581 24.0-169.4 -76.3 139.6 7.0 10.8 39.0 68 86 A S E S+ 0 0 64 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.719 71.7 6.1 -98.2 -26.7 10.3 11.3 40.8 69 87 A K E -O 89 0C 92 20,-1.2 20,-2.9 2,-0.0 2,-0.4 -0.989 57.8-156.4-157.5 144.1 12.2 12.6 37.8 70 88 A S E -O 88 0C 41 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.965 6.8-165.5-122.9 140.8 11.7 13.5 34.2 71 89 A I E -O 87 0C 35 16,-3.1 16,-2.3 -2,-0.4 2,-0.2 -0.908 5.2-160.2-130.6 104.4 14.4 13.5 31.5 72 90 A V E -O 86 0C 48 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.583 43.0 -87.3 -77.0 144.1 13.6 15.3 28.3 73 91 A H > - 0 0 24 12,-2.3 3,-1.9 10,-0.3 -1,-0.1 -0.225 35.7-122.9 -52.4 138.5 15.9 14.1 25.4 74 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.785 109.9 40.3 -56.2 -26.9 19.1 16.2 25.3 75 93 A S T 3 S+ 0 0 74 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.166 79.4 142.7-109.7 16.8 18.4 17.3 21.8 76 94 A Y < - 0 0 52 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.378 31.8-164.1 -59.9 131.0 14.7 17.9 21.9 77 95 A N > - 0 0 68 5,-2.2 4,-2.2 1,-0.1 5,-0.5 -0.969 7.7-162.9-119.1 113.6 13.7 21.0 19.9 78 96 A S T 4 S+ 0 0 77 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.671 86.5 57.8 -72.2 -16.7 10.2 22.2 20.8 79 97 A N T 4 S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.908 123.3 20.4 -78.4 -42.6 9.9 24.3 17.6 80 98 A T T 4 S- 0 0 74 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.593 96.8-130.5 -99.3 -14.3 10.4 21.4 15.1 81 99 A L >< + 0 0 32 -4,-2.2 3,-0.9 1,-0.3 2,-0.2 0.626 48.9 160.7 66.9 17.3 9.5 18.6 17.6 82 100 A N T 3 + 0 0 38 -5,-0.5 -5,-2.2 1,-0.3 -1,-0.3 -0.520 67.8 15.6 -67.3 136.0 12.7 16.8 16.5 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-2.1 -2,-0.2 -10,-0.3 0.906 79.8 179.8 64.5 47.2 13.6 14.2 19.2 84 102 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.495 37.5 110.0 -80.9 75.5 10.1 14.4 20.8 85 103 A I + 0 0 0 -2,-2.1 -12,-2.3 -47,-0.3 2,-0.3 -0.997 37.0 173.4-149.7 146.4 10.8 11.9 23.6 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.5 -2,-0.3 2,-0.4 -0.974 21.7-134.8-150.3 159.9 11.2 11.9 27.3 87 105 A L E -MO 36 71C 0 -16,-2.3 -16,-3.1 -2,-0.3 2,-0.4 -0.931 14.0-162.8-118.0 141.8 11.6 9.4 30.1 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.5 -2,-0.4 2,-0.4 -0.996 7.2-151.3-127.3 125.1 9.8 9.6 33.4 89 107 A K E -MO 34 69C 39 -20,-2.9 -21,-2.9 -2,-0.4 -20,-1.2 -0.814 16.4-129.7 -98.4 139.4 10.9 7.6 36.5 90 108 A L E - 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