==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-DEC-02 1NC6 . COMPND 2 MOLECULE: TRYPSINOGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.J.COSTANZO,S.C.YABUT,H.R.ALMOND JR.,P.ANDRADE-GORDON, . 224 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 60.7 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 31.7 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 . 14 6.2 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 . 14 6.2 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 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,-0.4 0.000 360.0 360.0 360.0 121.2 51.6 14.1 48.6 2 17 A V B +A 171 0A 9 169,-2.7 169,-2.1 1,-0.2 123,-0.1 -0.865 360.0 8.5-104.0 133.5 53.8 14.1 51.6 3 18 A G S S+ 0 0 42 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.674 103.5 115.6 75.4 17.0 55.5 10.8 52.7 4 19 A G - 0 0 33 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.072 58.1-116.6 -99.4-157.3 54.4 9.0 49.6 5 20 A Y E -B 137 0B 113 132,-2.1 132,-3.2 -3,-0.1 2,-0.5 -0.937 34.9 -82.1-142.5 163.3 56.2 7.4 46.8 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.550 38.8-151.4 -68.4 118.5 56.6 7.7 43.0 7 22 A a - 0 0 19 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.930 35.7-112.2 -57.6 -51.8 53.6 5.9 41.5 8 23 A G > - 0 0 26 127,-0.5 3,-2.1 -3,-0.1 4,-0.3 -0.106 49.5 -52.6 120.2 139.3 55.2 4.9 38.3 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.162 119.9 -16.5 -47.5 119.7 54.3 6.2 34.8 10 25 A N T 3 S+ 0 0 25 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.685 88.2 134.0 56.1 26.7 50.5 5.8 34.2 11 26 A T S < S+ 0 0 82 -3,-2.1 -1,-0.1 1,-0.3 -2,-0.1 0.600 76.9 48.8 -77.4 -10.3 50.0 3.3 37.1 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.666 73.2 174.5-128.3 72.0 47.0 5.5 38.0 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-0.9 0, 0.0 38,-0.4 0.629 74.3 56.5 -54.4 -22.4 45.3 5.8 34.6 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.552 82.1 106.9 -90.0 -9.3 42.2 7.6 35.9 15 30 A Q E < -J 28 0C 4 -3,-1.9 37,-0.4 13,-0.2 36,-0.4 -0.554 50.1-175.4 -73.4 128.0 44.3 10.5 37.5 16 31 A V E -J 27 0C 2 11,-2.5 11,-1.4 -2,-0.3 2,-0.5 -0.874 20.7-137.5-124.9 158.6 44.1 13.7 35.6 17 32 A S E -JK 26 49C 1 32,-2.2 32,-2.5 -2,-0.3 2,-0.6 -0.956 14.6-141.9-114.4 130.3 45.7 17.1 35.9 18 33 A L E -JK 25 48C 0 7,-3.2 6,-2.3 -2,-0.5 7,-1.0 -0.832 25.2-166.5 -92.9 125.7 43.7 20.3 35.5 19 34 A N E +JK 23 47C 19 28,-2.9 28,-2.1 -2,-0.6 4,-0.2 -0.949 31.3 166.3-123.2 132.1 45.7 22.9 33.6 20 37 A S S S- 0 0 30 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.301 97.0 -47.9-131.5 45.1 45.2 26.6 33.1 21 38 A G S S+ 0 0 72 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.156 139.7 27.9 105.5 -12.4 48.6 27.4 31.8 22 39 A Y S S- 0 0 132 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.953 103.0 -79.0-167.1 159.4 50.0 25.4 34.7 23 40 A H E +J 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.537 51.9 157.5 -69.7 129.9 48.9 22.5 36.9 24 41 A F E + 0 0 25 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.540 59.5 1.3-129.5 -15.3 46.5 23.8 39.5 25 42 A b E -J 18 0C 3 -7,-1.0 -7,-3.2 151,-0.1 -1,-0.4 -0.982 61.8-120.0-166.2 162.9 44.4 20.7 40.6 26 43 A G E +J 17 0C 1 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.454 28.9 179.0-101.2 177.8 43.9 17.0 40.2 27 44 A G E -J 16 0C 0 -11,-1.4 -11,-2.5 -2,-0.2 2,-0.4 -0.970 23.6-115.4-167.5 172.7 40.8 15.2 39.0 28 45 A S E -JL 15 36C 0 8,-2.8 8,-3.1 -2,-0.3 2,-0.5 -0.984 18.7-133.2-128.4 131.0 39.4 11.8 38.2 29 46 A L E + L 0 35C 1 -15,-2.4 74,-2.5 -2,-0.4 6,-0.2 -0.676 25.3 173.5 -79.5 122.7 38.2 10.4 34.8 30 47 A I E - 0 0 19 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.614 68.5 -12.9-104.5 -17.0 34.8 8.7 35.3 31 48 A N E > S- L 0 34C 47 3,-1.2 3,-0.9 70,-0.1 -1,-0.4 -0.941 87.8 -76.8-167.7 172.1 34.0 8.1 31.6 32 49 A S T 3 S+ 0 0 31 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.697 129.2 31.4 -54.2 -20.7 35.4 9.2 28.2 33 50 A Q T 3 S+ 0 0 82 60,-0.2 57,-2.4 1,-0.1 2,-0.4 0.502 110.9 67.2-117.3 -4.5 33.6 12.5 28.5 34 51 A W E < -LM 31 89C 8 -3,-0.9 -4,-2.4 55,-0.2 -3,-1.2 -0.949 47.4-172.2-130.8 144.7 33.6 13.4 32.2 35 52 A V E -LM 29 88C 0 53,-2.2 53,-2.3 -2,-0.4 2,-0.4 -0.952 14.6-146.1-126.7 143.1 36.0 14.2 35.0 36 53 A V E +LM 28 87C 0 -8,-3.1 -8,-2.8 -2,-0.4 2,-0.2 -0.928 32.7 147.4-109.9 134.0 35.2 14.6 38.7 37 54 A S E - M 0 86C 0 49,-2.3 49,-2.3 -2,-0.4 2,-0.3 -0.776 49.4 -67.3-146.1-170.0 37.2 17.2 40.8 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.674 32.5-133.0 -91.0 144.1 36.7 19.5 43.8 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.835 106.1 63.4 -63.2 -31.3 34.4 22.5 43.6 40 57 A H G 3 S+ 0 0 34 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.578 94.1 63.2 -73.0 -3.5 37.1 24.7 45.1 41 58 A b G < S+ 0 0 4 -3,-1.6 -1,-0.3 -15,-0.0 -2,-0.2 0.426 77.3 130.8 -94.8 -2.2 39.2 24.0 42.0 42 59 A Y < + 0 0 122 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.195 22.3 136.9 -55.8 142.2 36.6 25.7 39.7 43 60 A K - 0 0 54 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.922 50.7 -96.0-175.9 158.3 37.8 28.3 37.2 44 61 A S S S+ 0 0 97 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.435 97.2 35.5 -81.6 159.8 37.3 29.2 33.6 45 62 A G S S+ 0 0 71 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.892 75.9 172.9 66.4 44.5 39.5 28.1 30.8 46 63 A I - 0 0 10 -3,-0.3 21,-2.5 21,-0.1 2,-0.5 -0.659 18.4-165.1 -89.3 137.9 40.3 24.6 32.0 47 64 A Q E -KN 19 66C 49 -28,-2.1 -28,-2.9 -2,-0.3 2,-0.4 -0.990 15.5-140.8-120.7 124.1 42.2 22.0 30.0 48 65 A V E -KN 18 65C 0 17,-3.0 17,-2.7 -2,-0.5 2,-0.6 -0.703 12.3-158.8 -86.0 133.0 42.1 18.4 31.2 49 66 A R E -KN 17 64C 49 -32,-2.5 -32,-2.2 -2,-0.4 3,-0.3 -0.933 13.6-179.0-118.7 110.6 45.4 16.5 30.8 50 67 A L E + N 0 63C 1 13,-2.7 13,-1.9 -2,-0.6 -34,-0.1 -0.615 59.8 31.8-102.9 163.7 45.1 12.8 30.8 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.4 2,-0.2 0.707 84.5 151.7 64.8 22.8 47.8 10.1 30.6 52 70 A E + 0 0 9 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.533 21.8 150.7 -88.9 150.1 50.3 12.3 32.4 53 71 A D S S+ 0 0 12 1,-0.4 2,-0.9 4,-0.3 -1,-0.2 0.279 82.1 32.3-132.3 -77.9 53.2 11.2 34.6 54 72 A N S > S- 0 0 29 3,-0.2 3,-1.2 80,-0.2 -1,-0.4 -0.764 73.6-163.1 -84.2 110.9 55.8 14.0 34.3 55 73 A I T 3 S+ 0 0 29 78,-2.6 -1,-0.2 -2,-0.9 79,-0.1 0.596 86.8 52.8 -72.0 -9.6 53.5 17.0 33.9 56 74 A N T 3 S+ 0 0 121 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.385 105.8 58.8-104.7 2.7 56.5 19.1 32.6 57 75 A V S < S- 0 0 69 -3,-1.2 2,-1.0 76,-0.2 -4,-0.3 -0.984 76.9-133.5-136.0 124.7 57.5 16.6 29.9 58 76 A V + 0 0 111 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.655 31.4 174.3 -74.8 106.1 55.5 15.3 27.0 59 77 A E - 0 0 99 -2,-1.0 -1,-0.2 -5,-0.2 -4,-0.0 0.515 51.6 -98.1 -94.4 -7.6 56.3 11.6 27.3 60 78 A G S S+ 0 0 58 -3,-0.1 -2,-0.1 -9,-0.0 -8,-0.1 0.308 105.5 75.6 112.8 -10.8 54.0 10.3 24.7 61 79 A N + 0 0 55 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.348 67.7 110.6-115.8 7.0 50.9 9.1 26.4 62 80 A E - 0 0 30 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.465 44.9-163.2 -87.4 155.8 49.1 12.3 27.3 63 81 A Q E -N 50 0C 40 -13,-1.9 -13,-2.7 -2,-0.1 2,-0.6 -0.987 6.9-158.7-133.8 119.9 45.9 13.7 25.8 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.917 19.0 171.7-104.5 120.2 45.2 17.4 26.3 65 83 A I E -N 48 0C 14 -17,-2.7 -17,-3.0 -2,-0.6 2,-0.1 -0.991 28.5-127.1-134.2 127.8 41.5 18.2 26.0 66 84 A S E -N 47 0C 54 -2,-0.4 25,-3.3 -19,-0.3 26,-0.4 -0.372 27.9-115.7 -70.2 148.2 39.7 21.5 26.7 67 85 A A E -O 90 0C 15 -21,-2.5 23,-0.3 23,-0.2 3,-0.1 -0.638 20.0-166.3 -83.3 141.7 36.7 21.5 29.0 68 86 A S E S+ 0 0 55 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.675 71.6 1.9 -98.8 -23.3 33.4 22.5 27.4 69 87 A K E -O 89 0C 75 20,-1.0 20,-2.7 2,-0.0 2,-0.4 -0.990 56.5-152.9-162.3 153.3 31.5 23.0 30.6 70 88 A S E -O 88 0C 43 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.984 6.7-165.2-131.1 141.7 31.9 22.9 34.4 71 89 A I E -O 87 0C 39 16,-3.1 16,-2.7 -2,-0.4 2,-0.2 -0.919 5.9-159.8-133.6 106.8 29.2 22.1 36.9 72 90 A V E -O 86 0C 47 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.589 42.4 -87.5 -80.8 145.3 29.8 22.9 40.6 73 91 A H > - 0 0 23 12,-2.1 3,-2.0 10,-0.3 -1,-0.1 -0.271 34.9-124.5 -55.0 135.8 27.6 21.1 43.1 74 92 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.692 109.8 42.0 -56.0 -21.5 24.4 23.1 43.6 75 93 A S T 3 S+ 0 0 72 8,-0.1 -2,-0.1 2,-0.0 7,-0.1 0.201 80.1 141.6-113.2 16.3 25.0 23.1 47.4 76 94 A Y < - 0 0 57 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.333 35.2-158.8 -60.2 134.2 28.7 23.9 47.4 77 95 A N B >> -P 82 0D 63 5,-2.0 4,-2.5 1,-0.1 5,-0.5 -0.952 6.5-161.5-120.4 109.1 29.8 26.3 50.2 78 96 A S T 45S+ 0 0 82 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.642 87.8 54.4 -63.5 -17.9 33.1 28.0 49.5 79 97 A N T 45S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.907 124.3 19.6 -84.5 -43.3 33.5 28.9 53.1 80 98 A T T 45S- 0 0 74 -3,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.568 95.7-129.1-101.5 -13.6 33.2 25.5 54.7 81 99 A L T ><5 + 0 0 16 -4,-2.5 3,-0.9 1,-0.3 2,-0.2 0.700 48.6 161.8 68.7 22.0 33.9 23.4 51.6 82 100 A N B 3 < +P 77 0D 37 -5,-0.5 -5,-2.0 1,-0.3 -1,-0.3 -0.553 69.3 16.2 -71.0 136.8 30.8 21.4 52.3 83 101 A N T 3 S+ 0 0 16 -2,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.901 82.2 179.0 65.3 42.4 29.8 19.6 49.1 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.491 35.3 109.4 -79.3 76.5 33.2 20.2 47.6 85 103 A I + 0 0 0 -2,-2.1 -12,-2.1 -47,-0.3 2,-0.3 -0.996 37.4 176.0-150.9 146.6 32.7 18.5 44.2 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.3 -2,-0.3 2,-0.4 -0.986 21.4-132.8-150.0 157.0 32.3 19.5 40.6 87 105 A L E -MO 36 71C 0 -16,-2.7 -16,-3.1 -2,-0.3 2,-0.4 -0.902 15.5-165.4-113.7 142.2 31.9 17.9 37.2 88 106 A I E -MO 35 70C 0 -53,-2.3 -53,-2.2 -2,-0.4 2,-0.4 -0.995 8.8-149.5-130.0 125.4 33.9 18.9 34.1 89 107 A K E -MO 34 69C 37 -20,-2.7 -21,-2.8 -2,-0.4 -20,-1.0 -0.791 15.8-128.5 -98.3 138.3 32.9 17.8 30.6 90 108 A L E - 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