==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAR-03 1OX1 . COMPND 2 MOLECULE: TRYPSINOGEN, CATIONIC; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR G.WU,Y.HUANG,G.ZHU,Q.HUANG,Y.TANG,H.MIYAKE,M.KUSUNOKI . 233 2 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9435.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 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 . 72 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 . 17 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.4 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 . 3 3 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 0 1 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,-0.4 0.000 360.0 360.0 360.0 124.2 10.8 3.6 25.3 2 17 A V B +A 171 0A 9 169,-2.8 169,-1.9 1,-0.2 123,-0.1 -0.857 360.0 5.2-102.2 128.5 10.8 7.3 24.2 3 18 A G S S+ 0 0 44 121,-0.6 -1,-0.2 -2,-0.5 2,-0.1 0.732 101.6 118.3 76.1 23.0 8.7 8.3 21.3 4 19 A G - 0 0 35 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.114 56.2-115.9-102.5-157.2 6.9 5.0 20.9 5 20 A Y E -B 137 0B 99 132,-2.3 132,-3.1 -2,-0.1 2,-0.5 -0.923 35.3 -81.3-141.0 164.3 3.3 3.9 21.2 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.546 37.3-151.5 -69.1 118.0 1.1 1.7 23.4 7 22 A a - 0 0 17 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.880 36.0-113.1 -58.5 -43.1 1.6 -1.9 22.0 8 23 A G > - 0 0 26 127,-0.5 3,-2.0 4,-0.0 4,-0.3 0.068 47.9 -57.5 111.1 135.2 -1.8 -3.2 23.0 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.177 118.7 -11.1 -51.1 122.4 -2.4 -5.9 25.7 10 25 A N T 3 S+ 0 0 36 42,-0.4 -1,-0.3 2,-0.2 43,-0.1 0.688 90.3 127.6 62.0 23.4 -0.5 -9.1 24.9 11 26 A T S < S+ 0 0 82 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.540 76.4 48.1 -83.8 -7.3 0.4 -8.1 21.3 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.7 87,-0.1 -1,-0.3 -0.694 73.9 174.3-130.0 73.6 4.1 -8.9 22.1 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.1 0, 0.0 38,-0.3 0.602 72.4 56.6 -59.9 -16.5 3.6 -12.3 23.7 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.5 88,-0.1 2,-0.3 0.502 81.4 109.1 -94.2 -5.8 7.4 -13.1 24.1 15 30 A Q E < -K 28 0C 6 -3,-1.7 36,-0.5 13,-0.2 37,-0.4 -0.546 47.7-175.1 -73.6 128.7 8.1 -10.0 26.2 16 31 A V E -K 27 0C 2 11,-2.5 11,-1.1 -2,-0.3 2,-0.4 -0.856 19.6-139.2-121.2 160.6 8.8 -10.6 29.9 17 32 A S E -KL 26 49C 0 32,-2.1 32,-2.5 -2,-0.3 2,-0.5 -0.973 14.4-142.6-114.2 131.4 9.4 -8.3 32.8 18 33 A L E -KL 25 48C 0 7,-3.1 6,-2.2 -2,-0.4 7,-1.0 -0.854 28.1-169.4 -94.2 129.1 12.2 -9.2 35.3 19 34 A N E +KL 23 47C 16 28,-2.6 28,-2.4 -2,-0.5 4,-0.2 -0.953 34.3 166.2-130.3 137.2 11.0 -8.2 38.8 20 37 A S S S- 0 0 38 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.323 97.2 -46.6-136.8 49.9 12.6 -8.0 42.2 21 38 A G S S+ 0 0 73 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.352 139.5 31.3 98.0 -4.5 9.9 -6.1 44.0 22 39 A Y S S- 0 0 104 -4,-0.0 -2,-2.1 0, 0.0 2,-0.4 -0.931 99.6 -85.1-172.8 158.6 9.8 -3.7 41.0 23 40 A H E +K 19 0C 18 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.606 50.6 156.2 -75.8 128.7 10.4 -3.9 37.2 24 41 A F E + 0 0 4 -6,-2.2 206,-1.4 1,-0.4 2,-0.3 0.587 59.3 3.8-128.6 -19.3 14.1 -3.5 36.5 25 42 A b E -K 18 0C 0 -7,-1.0 -7,-3.1 204,-0.2 -1,-0.4 -0.983 61.1-128.2-159.7 162.6 14.7 -5.1 33.0 26 43 A G E +K 17 0C 2 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.407 24.0 179.6-103.7-172.8 13.0 -6.8 30.2 27 44 A G E -K 16 0C 0 -11,-1.1 -11,-2.5 -2,-0.1 2,-0.4 -0.958 23.9-112.9-174.1 172.8 13.7 -10.2 28.5 28 45 A S E -KM 15 36C 2 8,-2.6 8,-2.7 -2,-0.3 2,-0.5 -0.987 19.6-130.4-127.6 133.9 12.4 -12.5 25.8 29 46 A L E + M 0 35C 1 -15,-2.5 74,-2.4 -2,-0.4 6,-0.2 -0.670 27.2 173.5 -79.0 120.2 10.9 -15.9 26.1 30 47 A I E - 0 0 17 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.549 67.5 -10.6-105.8 -11.0 12.7 -18.3 23.7 31 48 A N E > S- M 0 34C 51 3,-1.1 3,-0.8 70,-0.1 -1,-0.3 -0.944 89.9 -74.8-167.6 178.2 11.0 -21.5 24.8 32 49 A S T 3 S+ 0 0 46 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.724 128.5 26.7 -60.3 -19.8 8.8 -22.8 27.7 33 50 A Q T 3 S+ 0 0 62 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.406 109.6 70.8-123.8 4.3 11.6 -22.8 30.2 34 51 A W E < -MN 31 89C 10 -3,-0.8 -4,-2.5 55,-0.2 -3,-1.1 -0.974 47.0-171.1-133.2 138.8 14.2 -20.2 29.1 35 52 A V E -MN 29 88C 0 53,-2.6 53,-2.8 -2,-0.4 2,-0.4 -0.912 14.1-147.0-118.9 144.1 14.4 -16.4 28.9 36 53 A V E +MN 28 87C 1 -8,-2.7 -8,-2.6 -2,-0.4 2,-0.2 -0.936 33.6 145.7-109.9 138.1 17.2 -14.4 27.2 37 54 A S E - N 0 86C 0 49,-2.8 49,-2.5 -2,-0.4 2,-0.3 -0.761 49.9 -66.2-149.3-166.8 18.1 -11.0 28.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.737 32.4-131.5 -95.8 145.7 21.2 -8.8 29.2 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.847 106.2 62.5 -61.4 -34.3 24.1 -9.8 31.4 40 57 A H G 3 S+ 0 0 9 1,-0.3 -1,-0.3 41,-0.1 189,-0.0 0.590 92.8 65.6 -71.4 -4.4 24.0 -6.4 33.1 41 58 A b G < S+ 0 0 3 -3,-1.7 -1,-0.3 188,-0.1 -2,-0.2 0.444 77.0 129.3 -91.1 -0.4 20.5 -7.1 34.4 42 59 A Y < + 0 0 123 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.267 21.2 133.3 -59.9 138.5 21.9 -9.9 36.5 43 60 A K - 0 0 54 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.935 53.0 -99.7-169.1 163.4 21.0 -10.1 40.2 44 61 A S S S+ 0 0 98 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.478 97.3 42.7 -86.7 166.3 19.8 -12.8 42.6 45 62 A G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.901 73.7 169.3 69.4 41.9 16.1 -13.1 43.5 46 63 A I - 0 0 10 -3,-0.3 21,-2.3 21,-0.1 2,-0.5 -0.738 19.6-165.1 -92.4 131.0 14.6 -12.6 40.1 47 64 A Q E -LO 19 66C 54 -28,-2.4 -28,-2.6 -2,-0.4 2,-0.5 -0.968 14.8-143.3-112.0 127.3 11.0 -13.3 39.4 48 65 A V E -LO 18 65C 0 17,-3.3 17,-3.2 -2,-0.5 2,-0.6 -0.783 11.5-160.0 -93.5 128.5 10.0 -13.6 35.8 49 66 A R E -LO 17 64C 50 -32,-2.5 -32,-2.1 -2,-0.5 3,-0.3 -0.946 11.6-176.0-114.0 114.8 6.6 -12.1 34.9 50 67 A L E + O 0 63C 2 13,-3.1 13,-2.0 -2,-0.6 -34,-0.1 -0.695 61.4 29.2-105.7 159.2 5.1 -13.3 31.6 51 69 A G S S+ 0 0 7 -36,-0.5 -1,-0.2 -38,-0.3 2,-0.1 0.682 84.6 154.8 67.9 19.2 1.8 -12.3 29.9 52 70 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.455 21.5 152.2 -81.2 148.3 2.1 -8.8 31.4 53 71 A D S S+ 0 0 18 1,-0.4 2,-0.8 4,-0.2 82,-0.3 0.348 79.9 32.4-129.0 -70.2 0.6 -5.5 30.0 54 72 A N S > S- 0 0 25 80,-0.2 3,-1.0 3,-0.2 -1,-0.4 -0.821 72.9-163.3 -88.9 110.7 0.0 -3.2 33.0 55 73 A I T 3 S+ 0 0 29 78,-2.4 -1,-0.1 -2,-0.8 79,-0.1 0.555 83.2 55.5 -76.2 -3.8 2.8 -4.1 35.3 56 74 A N T 3 S+ 0 0 111 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.532 105.8 50.8-102.9 -6.5 1.2 -2.5 38.3 57 75 A V S < S- 0 0 76 -3,-1.0 2,-0.6 76,-0.2 -4,-0.2 -0.992 76.1-128.4-134.3 137.1 -2.1 -4.3 38.2 58 76 A V + 0 0 115 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.758 40.8 158.3 -80.6 120.0 -3.1 -8.0 38.0 59 77 A E - 0 0 115 -2,-0.6 -1,-0.2 1,-0.3 2,-0.1 0.527 55.6 -82.4-119.6 -14.7 -5.5 -8.1 35.0 60 78 A G S S+ 0 0 33 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.236 102.5 60.2 120.1 150.3 -5.4 -11.7 33.9 61 79 A N S S+ 0 0 75 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.269 71.4 132.6 83.6 -9.5 -3.0 -13.7 31.7 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.434 36.3-168.8 -74.3 150.1 -0.0 -13.1 33.9 63 81 A Q E -O 50 0C 37 -13,-2.0 -13,-3.1 -2,-0.1 2,-0.6 -0.984 5.1-160.8-136.4 123.0 2.3 -15.9 35.0 64 82 A F E +O 49 0C 82 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.948 17.9 172.7-107.1 122.5 4.9 -15.2 37.7 65 83 A I E -O 48 0C 14 -17,-3.2 -17,-3.3 -2,-0.6 2,-0.1 -0.997 28.7-123.1-135.6 133.9 7.7 -17.7 37.8 66 84 A S E -O 47 0C 59 -2,-0.4 25,-2.8 -19,-0.2 2,-0.3 -0.406 29.4-111.6 -73.3 147.9 10.9 -17.7 39.8 67 85 A A E -P 90 0C 25 -21,-2.3 23,-0.2 23,-0.2 3,-0.1 -0.634 22.1-164.4 -76.8 135.6 14.2 -17.9 38.0 68 86 A S E S- 0 0 71 21,-3.6 2,-0.3 1,-0.4 22,-0.2 0.808 72.3 -13.6 -88.3 -37.2 15.9 -21.2 38.8 69 87 A K E -P 89 0C 83 20,-1.2 20,-2.7 -3,-0.1 2,-0.4 -0.975 56.7-142.5-163.1 152.7 19.3 -20.0 37.6 70 88 A S E -P 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.983 12.6-160.8-122.5 130.2 20.8 -17.1 35.7 71 89 A I E -P 87 0C 34 16,-3.5 16,-2.6 -2,-0.4 2,-0.3 -0.904 4.8-164.5-118.8 102.3 23.7 -17.7 33.3 72 90 A V E -P 86 0C 46 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.619 40.7 -92.7 -81.7 141.0 25.7 -14.7 32.4 73 91 A H > - 0 0 26 12,-2.1 3,-2.2 10,-0.3 -1,-0.1 -0.333 32.8-128.7 -55.3 129.4 28.0 -15.1 29.4 74 92 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.744 107.6 46.5 -52.5 -28.1 31.4 -16.2 30.7 75 93 A S T 3 S+ 0 0 74 8,-0.1 -2,-0.1 2,-0.1 7,-0.1 0.237 76.8 136.2-103.1 12.8 33.1 -13.5 28.7 76 94 A Y < - 0 0 50 -3,-2.2 2,-0.5 9,-0.1 7,-0.2 -0.393 39.4-158.7 -58.5 132.5 30.8 -10.6 29.6 77 95 A N B >>> -Q 82 0D 65 5,-1.8 4,-2.8 1,-0.1 5,-0.6 -0.953 9.2-160.3-119.2 111.9 32.9 -7.5 30.4 78 96 A S T 345S+ 0 0 75 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.699 88.9 57.0 -65.0 -18.7 31.1 -5.0 32.5 79 97 A N T 345S+ 0 0 144 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.843 123.5 20.1 -81.1 -33.8 33.5 -2.2 31.5 80 98 A T T <45S- 0 0 67 -3,-0.6 -2,-0.2 2,-0.1 77,-0.1 0.577 94.1-131.6-108.4 -17.2 32.9 -2.5 27.7 81 99 A L T ><5 + 0 0 21 -4,-2.8 3,-0.8 1,-0.3 2,-0.2 0.664 50.4 157.2 69.8 18.4 29.5 -4.3 27.8 82 100 A N B 3 < +Q 77 0D 37 -5,-0.6 -5,-1.8 1,-0.3 -1,-0.3 -0.532 65.9 17.7 -71.5 144.3 30.9 -6.8 25.2 83 101 A N T 3 S+ 0 0 21 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.902 80.1 175.0 59.3 44.3 29.0 -10.1 25.4 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.524 32.2 115.2 -83.6 76.3 26.1 -8.5 27.2 85 103 A I - 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