==== 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 1TX7 . COMPND 2 MOLECULE: TRYPSINOGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.CUI,F.MARANKAN,W.FU,D.CRICH,A.MESECAR,M.E.JOHNSON . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9198.0 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 . 69 30.9 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 . 16 7.2 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 . 3 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,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 121.3 -8.1 20.6 48.4 2 17 A V B +A 171 0A 10 169,-2.7 169,-1.7 1,-0.2 123,-0.1 -0.880 360.0 7.7-102.5 132.5 -10.3 19.7 51.4 3 18 A G S S+ 0 0 45 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.736 102.1 115.1 73.7 23.2 -11.9 22.6 53.3 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.099 58.8-107.5-108.1-153.3 -10.9 25.3 50.9 5 20 A Y E -B 137 0B 101 132,-2.5 132,-2.9 -3,-0.1 2,-0.5 -0.911 35.9 -89.4-135.4 161.9 -12.6 27.8 48.6 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.607 36.4-148.6 -69.7 117.2 -13.0 28.3 44.8 7 22 A a - 0 0 17 128,-2.1 -1,-0.2 -2,-0.5 129,-0.1 0.901 34.5-113.4 -55.8 -46.6 -10.1 30.4 43.8 8 23 A G > - 0 0 27 127,-0.5 3,-1.9 -3,-0.1 4,-0.3 -0.005 48.5 -57.0 115.0 139.5 -11.7 32.3 40.9 9 24 A A T 3 S- 0 0 46 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.230 117.6 -10.7 -56.2 126.5 -10.7 31.9 37.3 10 25 A N T 3 S+ 0 0 26 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.677 91.4 125.2 59.7 27.1 -7.0 32.6 36.6 11 26 A T S < S+ 0 0 86 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.589 74.7 49.9 -85.7 -9.9 -6.4 34.2 40.0 12 27 A V S > S+ 0 0 9 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.687 74.8 175.9-122.3 76.0 -3.5 31.7 40.6 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.0 0, 0.0 38,-0.3 0.581 71.3 55.3 -61.5 -18.4 -1.6 32.3 37.2 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.396 81.5 111.8 -95.3 -0.1 1.4 30.1 37.9 15 30 A Q E < -J 28 0C 7 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.569 47.0-174.5 -77.8 130.4 -0.8 27.0 38.6 16 31 A V E -J 27 0C 2 11,-2.7 11,-1.1 -2,-0.3 2,-0.4 -0.879 20.6-139.5-122.1 158.7 -0.5 24.3 35.9 17 32 A S E -JK 26 49C 1 32,-2.4 32,-3.1 -2,-0.3 2,-0.6 -0.951 15.2-142.5-112.4 135.5 -2.3 21.0 35.4 18 33 A L E -JK 25 48C 0 7,-2.7 6,-2.6 -2,-0.4 7,-1.0 -0.908 26.3-167.5 -97.8 122.0 -0.1 18.0 34.2 19 34 A N E +JK 23 47C 22 28,-2.7 28,-2.4 -2,-0.6 4,-0.2 -0.926 31.2 166.8-117.4 131.9 -2.3 16.0 31.7 20 37 A S S S- 0 0 33 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.216 95.5 -47.3-130.1 46.9 -1.7 12.6 30.3 21 38 A G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.138 140.3 27.8 108.0 -19.2 -5.2 12.2 28.9 22 39 A Y S S- 0 0 135 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.946 104.6 -80.0-161.9 160.6 -6.6 13.4 32.1 23 40 A H E +J 19 0C 33 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.582 52.3 160.5 -69.3 129.2 -5.4 15.7 35.0 24 41 A F E - 0 0 29 -6,-2.6 2,-0.3 1,-0.4 151,-0.2 0.533 57.6 -1.3-127.4 -12.9 -3.0 13.8 37.2 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-2.7 151,-0.1 -1,-0.4 -0.972 63.2-119.4-167.9 163.3 -0.9 16.3 39.2 26 43 A G E +J 17 0C 0 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.431 28.2 176.4-101.0-177.5 -0.4 20.0 39.6 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.7 -2,-0.2 2,-0.4 -0.957 23.9-115.0-174.3 174.6 2.8 22.0 39.0 28 45 A S E -JL 15 36C 0 8,-2.2 8,-2.6 -2,-0.3 2,-0.6 -0.990 19.9-126.5-132.9 136.2 4.0 25.6 39.0 29 46 A L E + L 0 35C 1 -15,-2.2 74,-2.1 -2,-0.4 6,-0.2 -0.710 27.9 173.9 -82.7 119.1 5.3 27.8 36.2 30 47 A I E - 0 0 19 4,-2.2 2,-0.3 -2,-0.6 75,-0.2 0.537 67.8 -13.6-103.8 -12.9 8.8 29.2 37.1 31 48 A N E > S- L 0 34C 49 3,-1.0 3,-0.7 70,-0.1 -1,-0.3 -0.902 90.8 -74.3-166.6-178.3 9.7 30.9 33.8 32 49 A S T 3 S+ 0 0 44 -2,-0.3 62,-2.7 1,-0.2 60,-0.1 0.721 128.1 28.4 -65.5 -15.2 8.4 30.8 30.3 33 50 A Q T 3 S+ 0 0 63 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.426 108.6 69.8-125.3 3.0 9.8 27.3 29.5 34 51 A W E < -LM 31 89C 9 -3,-0.7 -4,-2.2 55,-0.2 -3,-1.0 -0.983 48.1-169.8-132.7 141.1 10.0 25.4 32.8 35 52 A V E -LM 29 88C 0 53,-2.7 53,-2.7 -2,-0.4 2,-0.4 -0.934 12.2-149.1-122.7 140.2 7.6 23.9 35.3 36 53 A V E +LM 28 87C 0 -8,-2.6 -8,-2.2 -2,-0.3 2,-0.2 -0.916 31.2 149.0-108.5 137.3 8.4 22.5 38.8 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.2 -2,-0.4 2,-0.3 -0.776 51.1 -66.9-143.0-161.8 6.3 19.6 40.2 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.723 33.7-133.2 -96.6 137.8 6.7 16.5 42.5 39 56 A A G > S+ 0 0 4 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.817 107.2 65.8 -59.4 -31.4 9.0 13.7 41.4 40 57 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.611 92.8 62.9 -68.2 -4.9 6.3 11.3 42.4 41 58 A b G < S+ 0 0 4 -3,-1.5 -1,-0.3 -15,-0.0 -2,-0.2 0.481 78.8 133.7 -91.1 -3.7 4.2 12.8 39.6 42 59 A Y < + 0 0 130 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.1 -0.181 17.8 137.2 -58.6 138.5 6.8 11.6 37.0 43 60 A K - 0 0 53 3,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.940 50.9-106.1-166.4 161.8 5.5 9.9 33.8 44 61 A S S S+ 0 0 100 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.657 96.9 41.9 -93.4 154.6 6.4 10.1 30.1 45 62 A G S S+ 0 0 65 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.879 72.3 167.9 81.1 36.0 3.9 11.9 27.8 46 63 A I - 0 0 9 -3,-0.3 21,-2.1 21,-0.1 2,-0.5 -0.702 19.3-165.0 -86.6 134.6 3.1 14.8 29.9 47 64 A Q E -KN 19 66C 51 -28,-2.4 -28,-2.7 -2,-0.4 2,-0.5 -0.985 17.5-140.2-112.6 130.2 1.2 17.7 28.3 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.6 -2,-0.5 2,-0.6 -0.765 12.2-158.4 -93.0 128.4 1.4 20.8 30.4 49 65AA R E -KN 17 64C 50 -32,-3.1 -32,-2.4 -2,-0.5 3,-0.3 -0.932 12.8-177.2-112.9 119.6 -1.9 22.8 30.6 50 66 A L E + N 0 63C 2 13,-2.8 13,-1.6 -2,-0.6 -34,-0.1 -0.687 60.9 31.8-107.0 160.4 -1.5 26.5 31.6 51 69 A G S S+ 0 0 6 -36,-0.5 10,-0.3 -38,-0.3 2,-0.2 0.716 82.8 155.8 67.5 20.8 -4.2 29.1 32.1 52 70 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.540 21.4 150.9 -83.2 139.5 -6.8 26.5 33.3 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.9 4,-0.2 -1,-0.2 0.284 82.3 29.7-119.1 -81.1 -9.8 27.1 35.6 54 72 A N S > S- 0 0 27 80,-0.2 3,-1.1 1,-0.2 -1,-0.4 -0.666 73.2-161.6 -76.9 109.5 -12.4 24.4 34.6 55 73 A I T 3 S+ 0 0 33 78,-2.5 -1,-0.2 -2,-0.9 79,-0.1 0.563 87.7 52.5 -70.9 -6.5 -10.1 21.5 33.4 56 74 A N T 3 S+ 0 0 119 77,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.456 106.1 55.5-105.1 -1.2 -13.1 20.0 31.6 57 75 A V S < S- 0 0 78 -3,-1.1 2,-0.7 76,-0.2 -4,-0.2 -0.981 77.4-128.1-130.9 141.5 -14.2 23.1 29.5 58 76 A V + 0 0 113 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.821 33.5 171.9 -90.5 118.0 -12.1 25.3 27.0 59 77 A E - 0 0 98 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.523 51.6 -96.6-105.9 -13.4 -12.8 28.7 28.4 60 78 A G S S+ 0 0 56 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.445 103.8 75.5 117.8 -5.2 -10.4 30.7 26.3 61 79 A N + 0 0 66 -10,-0.3 -9,-0.1 -11,-0.0 2,-0.1 0.356 64.9 120.9-122.0 9.6 -7.2 31.3 28.2 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.324 38.2-169.8 -75.0 151.3 -5.5 27.9 28.0 63 81 A Q E -N 50 0C 39 -13,-1.6 -13,-2.8 -2,-0.1 2,-0.6 -0.968 9.7-164.0-135.1 118.0 -2.1 27.1 26.5 64 82 A F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.951 16.5 171.8-108.7 121.7 -1.5 23.4 26.1 65 83 A I E -N 48 0C 16 -17,-2.6 -17,-3.2 -2,-0.6 2,-0.1 -0.992 27.3-127.4-133.9 134.2 2.2 22.6 25.6 66 84 A S E -N 47 0C 53 -2,-0.4 25,-2.9 -19,-0.3 2,-0.3 -0.443 27.2-113.1 -79.0 152.0 4.0 19.3 25.5 67 85 A A E -O 90 0C 22 -21,-2.1 23,-0.3 23,-0.2 -22,-0.1 -0.661 20.5-168.0 -81.9 141.6 7.0 18.6 27.7 68 86 A S E S+ 0 0 54 21,-2.7 2,-0.3 1,-0.3 22,-0.2 0.641 73.8 0.0 -98.2 -21.8 10.3 18.1 25.8 69 87 A K E -O 89 0C 75 20,-1.5 20,-2.9 2,-0.0 2,-0.4 -0.973 56.2-156.3-163.7 147.3 12.1 16.8 28.9 70 88 A S E -O 88 0C 43 -2,-0.3 2,-0.5 18,-0.2 18,-0.3 -0.983 7.0-161.8-128.2 145.2 11.6 16.0 32.5 71 89 A I E -O 87 0C 36 16,-3.8 16,-2.8 -2,-0.4 2,-0.3 -0.940 5.1-157.9-128.9 111.9 14.3 15.9 35.2 72 90 A V E -O 86 0C 46 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.645 43.4 -89.4 -83.3 142.9 13.6 14.1 38.5 73 91 A H > - 0 0 22 12,-2.2 3,-2.0 -2,-0.3 -1,-0.1 -0.234 35.5-121.1 -50.1 138.0 16.0 15.3 41.3 74 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.816 110.0 41.7 -52.9 -31.6 19.2 13.2 41.4 75 93 A S T 3 S+ 0 0 73 8,-0.1 -2,-0.1 2,-0.1 2,-0.1 0.138 77.0 145.1-104.5 17.9 18.5 12.0 45.0 76 94 A Y < - 0 0 59 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.341 30.8-163.0 -60.3 128.9 14.8 11.4 44.8 77 95 A N B >> -P 82 0D 63 5,-2.5 4,-2.6 1,-0.1 5,-0.6 -0.943 6.8-165.6-116.3 107.7 13.8 8.4 47.1 78 96 A S T 45S+ 0 0 77 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.654 86.4 55.9 -68.8 -15.4 10.4 7.0 46.2 79 97 A N T 45S+ 0 0 148 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.896 124.0 21.8 -81.0 -42.0 10.1 5.0 49.5 80 98 A T T 45S- 0 0 73 -3,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.577 96.1-131.9 -99.7 -12.3 10.7 7.9 51.8 81 99 A L T ><5 + 0 0 34 -4,-2.6 3,-0.9 1,-0.3 2,-0.2 0.645 49.7 157.9 64.3 18.5 9.6 10.8 49.4 82 100 A N B 3 < +P 77 0D 37 -5,-0.6 -5,-2.5 1,-0.3 -1,-0.3 -0.577 66.9 15.3 -73.4 138.7 12.8 12.6 50.3 83 101 A N T 3 S+ 0 0 18 -2,-0.2 2,-1.8 -7,-0.2 -1,-0.3 0.879 80.3 177.2 61.8 49.3 13.8 15.1 47.6 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.546 35.0 113.2 -82.7 79.3 10.2 14.9 46.0 85 103 A I - 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