==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-JUL-04 1TX8 . COMPND 2 MOLECULE: TRYPSINOGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR A.D.MESECAR . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 61.4 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 . 21 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.7 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 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 . 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 3 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 123.6 -8.1 20.6 48.4 2 17 A V B +A 171 0A 11 169,-3.0 169,-1.8 1,-0.2 123,-0.1 -0.885 360.0 6.7-105.2 132.5 -10.3 19.8 51.4 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.736 102.2 120.9 72.9 23.5 -12.0 22.7 53.3 4 19 A G - 0 0 34 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.089 56.5-113.4-100.9-158.2 -10.8 25.3 50.8 5 20 A Y E -B 137 0B 99 132,-2.6 132,-3.6 -3,-0.1 2,-0.5 -0.941 35.2 -87.8-138.7 159.5 -12.6 27.9 48.6 6 21 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.570 36.3-151.2 -69.9 118.4 -13.0 28.4 44.9 7 22 A a - 0 0 17 128,-1.8 -1,-0.2 -2,-0.5 129,-0.1 0.912 35.0-115.2 -56.7 -49.5 -10.0 30.5 43.8 8 23 A G > - 0 0 25 127,-0.5 3,-1.7 -3,-0.1 4,-0.3 -0.064 46.8 -53.8 115.4 141.0 -11.7 32.3 41.0 9 24 A A T 3 S- 0 0 44 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.220 118.5 -13.4 -52.7 122.2 -10.7 32.0 37.3 10 25 A N T 3 S+ 0 0 22 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.732 90.1 128.4 57.4 31.1 -7.0 32.7 36.7 11 26 A T S < S+ 0 0 84 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.526 75.2 50.1 -88.7 -7.1 -6.4 34.2 40.1 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-2.0 87,-0.1 -1,-0.3 -0.659 73.3 175.2-128.7 70.4 -3.4 31.8 40.5 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.604 73.1 56.9 -54.0 -20.0 -1.7 32.4 37.1 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.502 81.0 108.6 -93.4 -5.7 1.3 30.2 37.9 15 30 A Q E < -J 28 0C 7 -3,-2.0 36,-0.5 13,-0.2 37,-0.4 -0.542 47.6-176.4 -74.9 131.8 -0.8 27.1 38.5 16 31 A V E -J 27 0C 2 11,-2.2 11,-1.1 -2,-0.3 2,-0.4 -0.897 20.3-136.4-127.1 158.7 -0.5 24.4 35.8 17 32 A S E -JK 26 49C 1 32,-2.2 32,-2.7 -2,-0.3 2,-0.6 -0.954 13.9-141.4-114.1 132.2 -2.2 21.1 35.3 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.3 -2,-0.4 7,-1.0 -0.857 25.7-167.7 -94.0 123.8 -0.2 18.0 34.2 19 34 A N E +JK 23 47C 21 28,-2.8 28,-2.5 -2,-0.6 4,-0.2 -0.938 30.9 166.3-120.7 134.2 -2.2 16.0 31.7 20 37 A S S S- 0 0 32 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.315 97.1 -47.7-134.1 44.6 -1.6 12.5 30.3 21 38 A G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.233 140.0 27.7 103.8 -7.9 -5.1 12.1 28.8 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.934 102.2 -80.9-172.2 156.6 -6.5 13.4 32.1 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.537 51.7 155.8 -69.6 131.2 -5.4 15.6 35.0 24 41 A F E + 0 0 34 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.517 59.0 7.4-132.6 -13.4 -3.1 13.8 37.4 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.988 61.4-123.7-164.1 160.7 -0.9 16.4 39.1 26 43 A G E +J 17 0C 1 151,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.431 27.1 176.1-100.9 179.4 -0.3 20.1 39.6 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.2 -2,-0.1 2,-0.4 -0.964 24.4-115.7-170.2 173.8 2.8 22.1 39.0 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.7 -2,-0.3 2,-0.6 -0.991 18.3-132.1-130.7 134.1 4.1 25.7 39.0 29 46 A L E + L 0 35C 1 -15,-2.2 74,-2.4 -2,-0.4 6,-0.2 -0.725 25.8 173.8 -83.0 120.3 5.4 27.8 36.1 30 47 A I E - 0 0 17 4,-2.1 2,-0.3 -2,-0.6 75,-0.2 0.582 68.1 -9.5-103.7 -12.7 8.8 29.3 37.1 31 48 A N E > S- L 0 34C 40 3,-1.1 3,-0.7 70,-0.1 -1,-0.3 -0.936 90.9 -74.6-166.8 175.7 9.6 30.9 33.8 32 49 A S T 3 S+ 0 0 45 -2,-0.3 62,-3.3 1,-0.2 60,-0.1 0.684 127.8 25.5 -58.1 -19.0 8.3 30.8 30.2 33 50 A Q T 3 S+ 0 0 59 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.407 109.3 71.9-127.4 4.0 9.8 27.3 29.5 34 51 A W E < -LM 31 89C 8 -3,-0.7 -4,-2.1 55,-0.2 -3,-1.1 -0.972 47.6-171.5-130.8 141.3 10.0 25.5 32.8 35 52 A V E -LM 29 88C 0 53,-2.7 53,-2.8 -2,-0.4 2,-0.4 -0.951 12.5-148.6-124.6 142.3 7.6 24.0 35.3 36 53 A V E +LM 28 87C 1 -8,-2.7 -8,-2.4 -2,-0.4 2,-0.2 -0.920 31.1 146.8-112.0 137.9 8.4 22.6 38.8 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.2 -2,-0.4 2,-0.3 -0.750 49.8 -63.6-147.9-166.0 6.4 19.7 40.2 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.721 33.1-133.8 -94.1 143.4 6.7 16.7 42.4 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.832 105.8 63.2 -63.0 -32.5 9.1 13.8 41.5 40 57 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.533 93.1 65.5 -72.5 -0.5 6.4 11.3 42.4 41 58 A b G < S+ 0 0 4 -3,-1.6 -1,-0.3 -15,-0.0 -2,-0.2 0.395 77.2 133.3 -95.7 -0.6 4.3 12.8 39.6 42 59 A Y < + 0 0 133 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.207 18.4 132.8 -57.7 140.2 6.8 11.6 37.0 43 60 A K - 0 0 56 3,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.922 50.8 -99.3-174.8 160.5 5.6 9.8 33.8 44 61 A S S S+ 0 0 99 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.552 94.7 37.9 -90.9 158.7 6.2 10.0 30.1 45 62 A G S S+ 0 0 70 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.932 75.4 172.6 70.6 47.2 4.0 11.8 27.6 46 63 A I - 0 0 8 -3,-0.3 21,-2.3 21,-0.1 2,-0.5 -0.721 19.4-163.3 -92.2 135.9 3.1 14.8 29.7 47 64 A Q E -KN 19 66C 49 -28,-2.5 -28,-2.8 -2,-0.4 2,-0.5 -0.983 15.0-141.5-116.7 126.8 1.2 17.8 28.3 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.8 -2,-0.5 2,-0.6 -0.762 12.0-158.6 -90.7 130.7 1.4 20.9 30.4 49 65AA R E -KN 17 64C 55 -32,-2.7 -32,-2.2 -2,-0.5 3,-0.3 -0.937 12.4-175.9-115.4 115.8 -1.9 22.9 30.6 50 66 A L E + N 0 63C 2 13,-3.0 13,-1.8 -2,-0.6 -34,-0.1 -0.675 60.4 29.2-106.7 160.5 -1.6 26.6 31.5 51 69 A G S S+ 0 0 4 -36,-0.5 10,-0.3 -38,-0.3 2,-0.2 0.744 84.6 153.8 64.7 26.3 -4.3 29.3 32.1 52 70 A E + 0 0 12 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.542 22.4 153.1 -89.1 149.1 -6.8 26.6 33.3 53 71 A D S S+ 0 0 15 1,-0.3 2,-0.9 4,-0.2 82,-0.4 0.372 80.3 30.9-131.3 -71.4 -9.7 27.0 35.6 54 72 A N S > S- 0 0 30 3,-0.3 3,-1.8 80,-0.2 -1,-0.3 -0.829 73.4-158.5 -93.5 107.1 -12.3 24.4 34.8 55 73 A I T 3 S+ 0 0 32 78,-2.1 -1,-0.1 -2,-0.9 79,-0.1 0.507 88.0 52.7 -65.8 -3.1 -10.1 21.5 33.5 56 74 A N T 3 S+ 0 0 120 77,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.371 104.4 58.7-111.5 3.0 -13.0 20.0 31.6 57 75 A V S < S- 0 0 76 -3,-1.8 2,-0.6 76,-0.2 -3,-0.3 -0.965 75.4-133.4-137.7 121.3 -14.1 23.1 29.6 58 76 A V + 0 0 115 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.596 29.8 173.6 -72.3 115.5 -12.0 25.1 27.2 59 77 A E - 0 0 99 -2,-0.6 -1,-0.2 -5,-0.1 -7,-0.0 0.564 50.5 -99.9-102.1 -11.1 -12.7 28.7 28.3 60 78 A G S S+ 0 0 59 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.322 104.0 78.9 114.3 -10.7 -10.3 30.7 26.1 61 79 A N + 0 0 70 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.320 68.1 116.3-111.5 7.3 -7.3 31.5 28.2 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.365 42.7-166.8 -81.7 156.7 -5.6 28.1 28.0 63 81 A Q E -N 50 0C 41 -13,-1.8 -13,-3.0 -2,-0.1 2,-0.6 -0.970 7.2-161.2-139.9 118.1 -2.2 27.1 26.5 64 82 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.928 17.1 171.5-106.4 119.5 -1.5 23.4 26.0 65 83 A I E -N 48 0C 13 -17,-2.8 -17,-3.1 -2,-0.6 2,-0.1 -0.990 26.9-130.2-133.2 127.3 2.2 22.7 25.6 66 84 A S E -N 47 0C 53 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.367 28.5-110.8 -72.2 151.9 3.9 19.3 25.5 67 85 A A E -O 90 0C 19 -21,-2.3 23,-0.3 23,-0.2 3,-0.1 -0.636 22.4-168.4 -83.2 139.9 6.9 18.5 27.6 68 86 A S E S+ 0 0 53 21,-3.0 2,-0.3 1,-0.4 22,-0.2 0.710 72.7 1.7 -98.1 -26.6 10.3 18.1 25.8 69 87 A K E -O 89 0C 77 20,-1.2 20,-2.7 2,-0.0 2,-0.4 -0.973 57.9-152.2-162.0 145.4 12.2 16.7 28.8 70 88 A S E -O 88 0C 43 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.963 8.3-165.4-121.9 139.0 11.6 15.8 32.5 71 89 A I E -O 87 0C 38 16,-3.1 16,-2.5 -2,-0.4 2,-0.2 -0.914 4.1-161.3-130.3 105.9 14.3 15.9 35.1 72 90 A V E -O 86 0C 47 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.605 41.7 -89.5 -82.2 143.3 13.7 14.1 38.4 73 91 A H > - 0 0 23 12,-2.1 3,-1.8 10,-0.3 -1,-0.1 -0.229 34.4-124.6 -52.1 137.0 15.9 15.2 41.3 74 92 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.760 108.7 42.5 -57.7 -24.6 19.1 13.1 41.4 75 93 A S T 3 S+ 0 0 73 8,-0.1 -2,-0.1 2,-0.1 7,-0.1 0.180 78.3 142.9-109.7 18.3 18.5 12.1 45.0 76 94 A Y < - 0 0 57 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.355 33.2-161.1 -61.0 132.3 14.7 11.4 44.9 77 95 A N B >> -P 82 0D 65 5,-2.0 4,-2.5 1,-0.1 5,-0.5 -0.951 7.3-163.1-119.6 108.7 13.8 8.5 47.0 78 96 A S T 45S+ 0 0 79 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.705 87.7 53.9 -64.8 -21.3 10.3 7.0 46.1 79 97 A N T 45S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.886 124.2 22.1 -81.9 -39.1 10.0 5.1 49.4 80 98 A T T 45S- 0 0 72 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.579 95.5-133.0-101.5 -13.7 10.6 8.1 51.8 81 99 A L T ><5 + 0 0 35 -4,-2.5 3,-0.9 1,-0.3 2,-0.2 0.667 48.4 158.5 66.8 18.9 9.6 10.8 49.3 82 100 A N B 3 < +P 77 0D 35 -5,-0.5 -5,-2.0 1,-0.3 -1,-0.3 -0.548 66.9 17.6 -72.4 138.4 12.8 12.7 50.3 83 101 A N T 3 S+ 0 0 19 -2,-0.2 2,-2.0 -7,-0.2 -10,-0.3 0.893 80.3 177.9 65.3 43.0 13.7 15.2 47.5 84 102 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.514 35.6 109.7 -79.7 78.6 10.3 15.0 46.0 85 103 A I + 0 0 0 -2,-2.0 -12,-2.1 -47,-0.3 2,-0.3 -0.996 37.4 175.6-153.4 145.0 10.8 17.5 43.2 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.5 -2,-0.3 2,-0.4 -0.989 20.5-134.7-149.8 155.4 11.2 17.5 39.4 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-3.1 -2,-0.3 2,-0.4 -0.902 13.4-163.1-113.6 142.8 11.6 20.0 36.6 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.7 -2,-0.4 2,-0.4 -0.991 7.1-151.9-127.8 124.6 9.7 19.9 33.3 89 107 A K E -MO 34 69C 36 -20,-2.7 -21,-3.0 -2,-0.4 -20,-1.2 -0.827 17.5-131.1 -98.0 134.2 10.9 21.8 30.2 90 108 A L E - 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