==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-OCT-00 1G36 . COMPND 2 MOLECULE: TRYPSINOGEN, CATIONIC; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR H.NAR . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 62.3 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 32.3 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 . 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 . 17 7.6 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 . 1 0.4 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 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 3 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 123.0 -3.7 9.2 10.9 2 17 A V B +A 171 0A 9 169,-2.9 169,-1.9 1,-0.2 123,-0.1 -0.888 360.0 4.0-101.6 127.3 -7.3 10.2 11.1 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.724 102.2 120.9 75.4 21.3 -8.5 13.1 8.9 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.126 55.4-115.7 -98.7-158.2 -5.2 13.5 7.1 5 20 A Y E -B 137 0B 96 132,-2.3 132,-3.2 -3,-0.1 2,-0.4 -0.943 34.8 -85.5-141.3 158.8 -4.1 13.3 3.5 6 21 A T E -B 136 0B 70 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.513 36.2-150.0 -65.5 120.8 -1.9 11.1 1.3 7 22 A a - 0 0 18 128,-2.2 -1,-0.2 -2,-0.4 129,-0.1 0.904 35.9-114.1 -60.0 -45.2 1.6 12.5 1.7 8 23 A G > - 0 0 26 127,-0.5 3,-1.8 4,-0.0 4,-0.3 0.028 48.6 -55.8 111.3 136.3 2.9 11.5 -1.8 9 24 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.154 118.2 -9.9 -49.7 126.7 5.7 8.9 -2.3 10 25 A N T 3 S+ 0 0 36 42,-0.4 -1,-0.3 2,-0.2 43,-0.1 0.660 89.7 126.4 57.7 25.6 8.9 9.8 -0.5 11 26 A T S < S+ 0 0 82 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.597 75.5 48.9 -84.8 -9.5 7.9 13.3 0.5 12 27 A V S > S+ 0 0 10 -4,-0.3 3,-1.6 87,-0.1 -1,-0.3 -0.715 72.7 174.6-128.5 76.0 8.7 12.5 4.2 13 28 A P T 3 S+ 0 0 35 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.595 73.0 56.4 -60.4 -18.9 12.2 11.0 3.7 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.4 88,-0.1 2,-0.2 0.493 80.8 113.1 -92.8 -6.1 13.0 10.6 7.4 15 30 A Q E < -J 28 0C 6 -3,-1.6 36,-0.5 13,-0.2 37,-0.4 -0.499 47.8-169.2 -72.3 134.1 9.9 8.5 8.1 16 31 A V E -JK 27 50C 1 11,-2.4 11,-1.1 -2,-0.2 2,-0.5 -0.856 16.5-143.5-124.1 152.5 10.6 4.9 9.0 17 32 A S E -JK 26 49C 0 32,-1.8 32,-2.9 -2,-0.3 2,-0.6 -0.977 12.6-145.6-116.3 127.1 8.4 1.8 9.4 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.5 -2,-0.5 7,-1.1 -0.878 27.4-172.3 -92.8 123.4 9.2 -0.7 12.2 19 34 A N E +JK 23 47C 16 28,-3.0 28,-2.4 -2,-0.6 4,-0.2 -0.947 33.6 165.3-127.7 135.9 8.4 -4.1 11.0 20 37 A S S S- 0 0 33 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.368 97.3 -46.4-137.4 51.3 8.2 -7.6 12.5 21 38 A G S S+ 0 0 73 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.405 139.9 30.5 95.8 -1.4 6.3 -9.4 9.8 22 39 A Y S S- 0 0 129 -4,-0.0 -2,-2.1 0, 0.0 2,-0.4 -0.914 100.6 -84.2-174.9 158.2 3.9 -6.4 9.7 23 40 A H E +J 19 0C 32 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.647 49.8 157.9 -76.2 128.4 4.1 -2.7 10.4 24 41 A F E + 0 0 30 -6,-2.5 2,-0.3 -2,-0.4 151,-0.2 0.586 58.9 4.5-125.8 -18.6 3.7 -1.9 14.1 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.1 151,-0.1 -1,-0.4 -0.987 61.0-124.7-161.2 161.6 5.2 1.5 14.7 26 43 A G E +J 17 0C 2 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.459 26.2 178.0-101.5-179.6 6.8 4.5 13.0 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.2 2,-0.4 -0.962 23.9-116.2-169.7 173.0 10.1 6.1 13.6 28 45 A S E -JL 15 36C 2 8,-2.3 8,-2.6 -2,-0.3 2,-0.5 -0.994 19.7-131.0-129.4 133.4 12.4 8.9 12.5 29 46 A L E + L 0 35C 0 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.686 27.0 173.4 -82.0 120.7 15.9 8.6 10.9 30 47 A I E - 0 0 19 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.584 67.3 -10.0-104.5 -15.2 18.3 11.0 12.7 31 48 A N E > S- L 0 34C 51 3,-1.1 3,-0.6 70,-0.1 -1,-0.3 -0.919 90.9 -75.0-163.7 179.1 21.6 9.9 11.1 32 49 A S T 3 S+ 0 0 47 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.714 128.6 25.8 -60.9 -20.7 22.8 7.1 8.8 33 50 A Q T 3 S+ 0 0 58 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.408 109.8 73.2-125.3 6.9 22.7 4.5 11.6 34 51 A W E < -LM 31 89C 10 -3,-0.6 -4,-2.5 55,-0.2 -3,-1.1 -0.965 46.7-173.6-133.1 138.7 20.2 5.7 14.2 35 52 A V E -LM 29 88C 0 53,-2.6 53,-3.1 -2,-0.4 2,-0.4 -0.933 14.5-146.7-123.5 142.8 16.4 5.9 14.4 36 53 A V E +LM 28 87C 1 -8,-2.6 -8,-2.3 -2,-0.4 2,-0.2 -0.921 33.0 145.8-110.7 136.4 14.3 7.5 17.2 37 54 A S E - M 0 86C 0 49,-3.0 49,-2.5 -2,-0.4 2,-0.3 -0.750 49.3 -64.5-147.1-166.3 11.0 6.0 18.1 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.750 31.6-132.8 -96.3 142.3 8.7 5.4 21.2 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.858 106.7 62.3 -58.8 -35.6 9.7 3.2 24.1 40 57 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.576 93.1 65.1 -70.6 -5.0 6.3 1.6 24.0 41 58 A b G < S+ 0 0 5 -3,-1.8 -1,-0.3 -15,-0.1 -2,-0.2 0.431 76.4 131.3 -92.0 -3.1 7.1 0.3 20.5 42 59 A Y < + 0 0 123 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.256 20.6 135.0 -57.5 138.9 9.9 -1.8 22.0 43 60 A K - 0 0 57 -2,-0.0 3,-0.2 0, 0.0 2,-0.2 -0.945 51.0-105.0-172.8 157.5 10.0 -5.4 20.9 44 61 A S S S+ 0 0 98 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.565 95.1 44.9 -91.0 163.7 12.8 -7.8 19.7 45 62 A G S S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.932 75.4 170.8 71.6 46.1 13.1 -8.9 16.1 46 63 A I - 0 0 10 -3,-0.2 21,-2.2 21,-0.2 2,-0.5 -0.772 19.5-167.8 -95.8 129.9 12.8 -5.4 14.6 47 64 A Q E -KN 19 66C 53 -28,-2.4 -28,-3.0 -2,-0.4 2,-0.5 -0.979 16.0-142.8-114.8 125.7 13.4 -4.7 10.9 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.8 -2,-0.5 2,-0.6 -0.806 11.4-158.6 -91.1 125.3 13.6 -1.0 10.0 49 66 A R E -KN 17 64C 51 -32,-2.9 -32,-1.8 -2,-0.5 3,-0.3 -0.924 12.4-175.0-112.1 108.3 12.1 -0.2 6.7 50 67 A L E +KN 16 63C 2 13,-2.8 13,-1.9 -2,-0.6 -34,-0.1 -0.650 61.0 28.4 -97.4 157.6 13.3 3.1 5.1 51 69 A G S S+ 0 0 6 -36,-0.5 -1,-0.2 -38,-0.3 2,-0.2 0.718 84.6 155.0 65.9 27.7 12.2 4.8 1.8 52 70 A E + 0 0 12 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.481 22.7 150.1 -90.0 149.8 8.7 3.4 2.1 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.2 -1,-0.2 0.248 80.7 34.2-131.7 -76.6 5.4 4.6 0.7 54 72 A N S > S- 0 0 26 80,-0.2 3,-0.7 1,-0.2 -1,-0.4 -0.751 72.6-163.9 -83.0 112.1 3.2 1.6 0.0 55 73 A I T 3 S+ 0 0 30 78,-2.6 -1,-0.2 -2,-0.8 79,-0.1 0.567 83.8 53.8 -75.9 -6.2 4.2 -0.7 2.8 56 74 A N T 3 S+ 0 0 114 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.538 105.6 54.1-103.6 -7.7 2.6 -3.7 1.2 57 75 A V S < S- 0 0 75 -3,-0.7 2,-0.9 76,-0.2 -4,-0.2 -0.956 76.2-128.6-129.2 142.9 4.4 -3.5 -2.2 58 76 A V + 0 0 116 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.845 39.5 161.4 -89.1 107.8 8.0 -3.3 -3.1 59 77 A E - 0 0 104 -2,-0.9 -1,-0.2 1,-0.3 2,-0.1 0.486 55.2 -89.0-104.8 -9.6 8.0 -0.2 -5.4 60 78 A G S S+ 0 0 35 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.156 102.0 65.6 109.8 151.3 11.7 0.7 -5.4 61 79 A N + 0 0 75 1,-0.3 2,-0.1 -2,-0.1 -9,-0.0 0.307 69.7 133.2 84.4 -5.6 13.7 2.9 -3.0 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.440 36.4-168.1 -76.9 148.8 13.2 0.7 0.0 63 81 A Q E -N 50 0C 39 -13,-1.9 -13,-2.8 -2,-0.1 2,-0.6 -0.983 4.5-161.9-136.8 118.7 16.0 -0.3 2.4 64 82 A F E +N 49 0C 83 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.950 17.9 171.0-104.6 119.4 15.3 -3.0 4.9 65 83 A I E -N 48 0C 18 -17,-2.8 -17,-3.1 -2,-0.6 2,-0.1 -0.996 28.6-128.3-133.4 129.1 17.9 -3.0 7.7 66 84 A S E -N 47 0C 55 -2,-0.4 25,-2.9 -19,-0.2 2,-0.4 -0.420 27.0-114.9 -72.3 151.6 17.7 -5.0 10.9 67 85 A A E -O 90 0C 20 -21,-2.2 23,-0.3 23,-0.2 -21,-0.2 -0.707 20.4-165.2 -84.5 133.2 18.1 -3.3 14.2 68 86 A S E S- 0 0 57 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.718 74.5 -1.9 -89.3 -25.7 21.3 -4.3 16.1 69 87 A K E -O 89 0C 86 20,-1.2 20,-2.9 2,-0.0 2,-0.5 -0.957 57.2-150.9-164.2 143.5 20.1 -2.8 19.4 70 88 A S E -O 88 0C 33 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.991 12.6-158.5-120.3 122.9 17.2 -0.9 20.8 71 89 A I E -O 87 0C 33 16,-3.5 16,-2.4 -2,-0.5 2,-0.3 -0.884 5.1-163.0-108.3 102.4 17.8 1.4 23.7 72 90 A V E -O 86 0C 47 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.615 39.8 -94.5 -80.0 138.6 14.7 2.2 25.7 73 91 A H > - 0 0 25 12,-2.0 3,-2.3 10,-0.3 -1,-0.1 -0.402 33.2-130.4 -54.6 128.0 15.1 5.3 28.0 74 92 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.719 105.7 47.4 -54.1 -25.3 16.1 3.9 31.4 75 93 A S T 3 S+ 0 0 76 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.195 77.3 136.4-103.3 15.0 13.4 6.0 33.2 76 94 A Y < - 0 0 57 -3,-2.3 2,-0.6 9,-0.1 7,-0.2 -0.421 41.2-155.1 -62.1 132.7 10.6 5.1 30.8 77 95 A N B >> -P 82 0D 67 5,-2.2 4,-2.7 -2,-0.1 5,-0.5 -0.945 7.7-160.7-115.9 113.9 7.5 4.3 32.9 78 96 A S T 45S+ 0 0 81 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.664 89.3 53.1 -68.1 -17.4 5.0 2.0 31.2 79 97 A N T 45S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.853 124.1 23.2 -86.6 -33.2 2.1 3.1 33.4 80 98 A T T 45S- 0 0 69 -3,-0.3 -2,-0.2 2,-0.1 77,-0.1 0.610 95.2-132.5-103.6 -17.2 2.4 6.8 32.9 81 99 A L T ><5 + 0 0 33 -4,-2.7 3,-0.8 1,-0.3 2,-0.2 0.636 49.3 158.2 69.5 18.7 4.2 6.7 29.6 82 100 A N B 3 < +P 77 0D 34 -5,-0.5 -5,-2.2 1,-0.3 -1,-0.3 -0.534 64.5 18.2 -73.0 140.2 6.7 9.3 30.9 83 101 A N T 3 S+ 0 0 19 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.902 78.1 175.6 64.4 43.9 10.0 9.2 28.9 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.525 33.6 116.0 -81.5 76.4 8.4 7.4 26.0 85 103 A I - 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