==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 11-JUN-85 4TPI . COMPND 2 MOLECULE: TRYPSINOGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR W.BODE,J.WALTER . 283 3 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11988.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 27.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1.1 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 . 2 0.7 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 . 26 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 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 2 1 6 2 1 1 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 1 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 Z I 0 0 198 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.9 31.8 59.4 12.6 2 17 Z V - 0 0 123 1,-0.1 168,-0.1 2,-0.1 283,-0.0 -0.555 360.0-133.0 -85.3 141.4 28.7 61.5 11.8 3 18 Z G S S+ 0 0 12 166,-0.9 136,-0.3 -2,-0.2 167,-0.2 0.978 81.5 50.8 -59.0 -66.9 26.1 61.9 14.6 4 19 Z G - 0 0 12 120,-0.2 2,-0.3 134,-0.1 134,-0.2 -0.366 63.8-168.0 -73.2 156.9 22.8 61.2 12.8 5 20 Z Y E -A 137 0A 97 132,-2.7 132,-3.2 -2,-0.1 2,-0.8 -0.920 38.7 -92.0-141.2 157.6 22.0 58.1 10.7 6 21 Z T E -A 136 0A 77 -2,-0.3 130,-0.3 130,-0.2 3,-0.1 -0.700 38.1-152.2 -74.9 101.4 19.1 57.3 8.4 7 22 Z a - 0 0 19 128,-1.6 -1,-0.2 -2,-0.8 129,-0.1 0.692 37.9-107.6 -44.0 -37.2 16.8 55.5 10.8 8 23 Z G > - 0 0 24 127,-0.5 3,-1.5 4,-0.0 4,-0.3 0.075 48.6 -56.7 109.3 144.9 15.1 53.4 8.2 9 24 Z A T 3 S- 0 0 54 1,-0.3 44,-0.1 2,-0.1 125,-0.0 -0.353 116.6 -11.9 -55.6 126.4 11.6 53.7 6.8 10 25 Z N T 3 S+ 0 0 19 42,-0.4 -1,-0.3 -2,-0.2 43,-0.1 0.641 94.0 125.6 56.2 25.1 8.8 53.6 9.4 11 26 Z T S < S+ 0 0 80 -3,-1.5 -2,-0.1 1,-0.2 -1,-0.1 0.653 73.9 48.9 -83.7 -14.8 11.2 52.4 12.1 12 27 Z V S > S+ 0 0 6 -4,-0.3 3,-1.2 1,-0.1 -1,-0.2 -0.893 75.3 174.9-120.2 79.3 10.2 55.3 14.3 13 28 Z P T 3 S+ 0 0 31 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.613 70.1 57.9 -72.4 -10.0 6.4 54.8 13.9 14 29 Z Y T 3 S+ 0 0 22 86,-0.2 15,-2.0 88,-0.1 2,-0.4 0.340 79.8 111.4-101.9 8.0 5.4 57.5 16.4 15 30 Z Q E < -J 28 0B 6 -3,-1.2 36,-0.5 13,-0.2 37,-0.4 -0.687 48.2-167.9 -83.2 136.3 7.2 60.3 14.7 16 31 Z V E -JK 27 50B 1 11,-2.9 2,-0.6 -2,-0.4 11,-0.6 -0.902 18.3-138.3-119.5 152.8 5.1 62.9 13.1 17 32 Z S E -JK 26 49B 1 32,-3.1 32,-3.4 -2,-0.4 2,-0.6 -0.907 14.2-148.5-100.1 129.0 5.8 65.7 10.8 18 33 Z L E -JK 25 48B 0 7,-3.1 6,-2.8 -2,-0.6 7,-1.3 -0.863 25.7-171.9 -89.4 126.0 4.0 69.0 11.5 19 34 Z N E +JK 23 47B 14 28,-2.8 28,-2.5 -2,-0.6 4,-0.2 -0.938 32.9 164.3-121.0 136.3 3.3 70.8 8.2 20 37 Z S S S- 0 0 31 2,-2.7 26,-0.1 -2,-0.4 3,-0.1 -0.345 98.2 -41.6-134.9 51.1 2.0 74.2 7.2 21 38 Z G S S+ 0 0 73 26,-0.1 2,-0.3 -2,-0.0 -2,-0.1 0.043 140.4 19.2 108.3 -26.0 3.0 74.2 3.6 22 39 Z Y S S- 0 0 53 -4,-0.1 -2,-2.7 221,-0.0 2,-0.3 -0.867 103.3 -73.9-164.9 167.9 6.4 72.6 4.6 23 40 Z H E +J 19 0B 8 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.553 51.0 162.0 -75.9 115.5 7.8 70.7 7.5 24 41 Z F E - 0 0 0 -6,-2.8 217,-3.4 1,-0.5 151,-0.3 0.629 60.0 -8.2-114.5 -22.8 8.3 73.1 10.3 25 42 Z b E -J 18 0B 0 -7,-1.3 -7,-3.1 215,-0.2 -1,-0.5 -0.967 60.6-119.2-157.3 174.4 8.6 70.8 13.4 26 43 Z G E +J 17 0B 1 151,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.253 25.1 176.7-105.3-171.3 8.2 67.2 14.6 27 44 Z G E -J 16 0B 0 -11,-0.6 -11,-2.9 10,-0.1 2,-0.4 -0.916 25.3-111.1 175.5 167.5 6.0 65.6 17.3 28 45 Z S E -JL 15 36B 2 8,-2.0 8,-3.2 -2,-0.3 2,-0.5 -0.981 21.1-128.5-123.9 132.1 5.1 62.2 18.8 29 46 Z L E + L 0 35B 2 -15,-2.0 74,-1.8 -2,-0.4 6,-0.2 -0.760 27.8 174.0 -78.4 114.4 1.9 60.2 18.6 30 47 Z I E S- 0 0 22 4,-2.0 2,-0.3 -2,-0.5 5,-0.2 0.673 70.6 -11.9-106.8 -13.8 0.8 59.4 22.1 31 48 Z N E > S- L 0 34B 57 3,-1.2 3,-1.1 70,-0.1 -1,-0.5 -0.904 91.0 -75.9-166.4 176.4 -2.6 57.9 21.1 32 49 Z S T 3 S+ 0 0 40 -2,-0.3 62,-3.2 1,-0.3 60,-0.1 0.623 127.4 26.0 -56.2 -18.6 -4.7 57.8 17.9 33 50 Z Q T 3 S+ 0 0 65 60,-0.2 57,-2.7 56,-0.0 2,-0.4 0.391 109.8 77.9-121.4 -4.1 -6.0 61.4 18.2 34 51 Z W E < -LM 31 89B 7 -3,-1.1 -4,-2.0 55,-0.2 -3,-1.2 -0.927 47.9-174.6-117.9 140.3 -3.3 63.2 20.2 35 52 Z V E -LM 29 88B 0 53,-2.9 53,-2.5 -2,-0.4 2,-0.5 -0.965 14.2-148.2-116.1 138.0 0.2 64.5 19.4 36 53 Z V E +LM 28 87B 0 -8,-3.2 -8,-2.0 -2,-0.4 2,-0.2 -0.900 33.4 148.3-106.8 133.2 2.7 66.0 21.8 37 54 Z S E - M 0 86B 0 49,-3.2 49,-2.0 -2,-0.5 2,-0.4 -0.751 47.9 -67.0-144.3-170.5 5.0 68.7 20.5 38 55 Z A > - 0 0 0 -12,-0.4 3,-1.6 -2,-0.2 47,-0.2 -0.759 33.6-131.1 -89.6 140.3 6.8 71.9 21.5 39 56 Z A G > S+ 0 0 4 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.759 108.0 61.4 -57.7 -33.5 5.0 74.9 22.5 40 57 Z H G 3 S+ 0 0 11 1,-0.3 -1,-0.3 41,-0.1 200,-0.0 0.619 93.2 67.1 -76.2 -0.2 7.1 77.0 20.2 41 58 Z b G < S+ 0 0 0 -3,-1.6 2,-0.5 -15,-0.1 -1,-0.3 0.289 70.9 130.5 -90.3 2.4 5.8 74.9 17.3 42 59 Z Y < + 0 0 131 -3,-1.5 2,-0.3 219,-0.1 -3,-0.0 -0.502 28.2 152.0 -63.4 122.3 2.4 76.4 17.8 43 60 Z K - 0 0 53 -2,-0.5 3,-0.5 0, 0.0 2,-0.1 -0.988 45.2-114.3-133.6 162.7 1.0 77.6 14.5 44 61 Z S S S+ 0 0 101 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.401 97.0 32.6 -76.0 158.6 -2.4 78.1 13.0 45 62 Z G S S+ 0 0 62 1,-0.2 2,-0.3 22,-0.1 -1,-0.2 0.752 77.1 168.9 64.7 34.8 -3.1 75.8 10.0 46 63 Z I - 0 0 10 -3,-0.5 21,-1.6 21,-0.1 2,-0.4 -0.588 20.0-167.0 -73.3 137.7 -1.2 72.6 10.9 47 64 Z Q E -KN 19 66B 44 -28,-2.5 -28,-2.8 -2,-0.3 2,-0.5 -0.951 18.3-141.9-112.5 129.7 -1.6 69.4 9.1 48 65 Z V E -KN 18 65B 0 17,-2.6 17,-2.8 -2,-0.4 2,-0.5 -0.872 11.3-153.7 -91.2 136.7 -0.0 66.5 10.9 49 66 Z R E -KN 17 64B 47 -32,-3.4 -32,-3.1 -2,-0.5 3,-0.3 -0.970 13.8-174.3-113.0 120.5 1.7 63.9 8.7 50 67 Z L E +KN 16 63B 2 13,-3.1 13,-1.5 -2,-0.5 -34,-0.1 -0.740 60.2 27.5-109.7 152.0 2.0 60.3 10.0 51 69 Z G S S+ 0 0 5 -36,-0.5 2,-0.4 -38,-0.3 10,-0.3 0.882 84.4 154.2 68.3 31.0 3.8 57.3 8.6 52 70 Z E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.772 24.9 152.8 -84.8 156.8 6.4 59.4 6.8 53 71 Z D S S+ 0 0 14 -2,-0.4 2,-0.9 1,-0.3 -1,-0.1 0.322 82.2 34.1-130.8 -71.5 9.9 58.6 5.7 54 72 Z N S > S- 0 0 23 80,-0.2 3,-1.0 1,-0.2 -1,-0.3 -0.583 70.5-162.9 -79.7 109.1 10.5 60.8 2.8 55 73 Z I T 3 S+ 0 0 29 78,-2.6 -1,-0.2 -2,-0.9 79,-0.1 0.308 86.9 53.7 -73.8 2.3 8.6 63.9 3.5 56 74 Z N T 3 S+ 0 0 111 77,-0.2 2,-0.3 1,-0.1 -1,-0.3 0.512 104.3 53.2-120.7 -6.4 8.9 64.8 -0.1 57 75 Z V S < S- 0 0 75 -3,-1.0 2,-1.1 76,-0.2 -4,-0.2 -0.875 78.8-123.1-130.1 156.4 7.5 61.8 -1.7 58 76 Z V + 0 0 114 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.1 -0.823 33.4 173.1 -93.1 89.5 4.2 60.0 -1.2 59 77 Z E - 0 0 89 -2,-1.1 -1,-0.2 -5,-0.3 -7,-0.1 0.677 50.8-106.8 -82.9 -4.6 5.5 56.6 -0.4 60 78 Z G S S+ 0 0 59 -3,-0.1 -8,-0.1 -9,-0.0 -2,-0.1 0.389 100.1 88.1 107.8 -9.2 2.1 55.2 0.4 61 79 Z N + 0 0 69 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.443 64.9 118.6-102.4 -1.5 2.2 54.9 4.2 62 80 Z E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.306 40.0-174.7 -68.9 152.9 1.0 58.4 4.9 63 81 Z Q E -N 50 0B 37 -13,-1.5 -13,-3.1 -2,-0.1 2,-0.6 -0.946 11.6-164.4-144.2 113.1 -2.0 59.7 6.8 64 82 Z F E +N 49 0B 82 -2,-0.4 2,-0.5 -15,-0.2 -15,-0.2 -0.997 17.7 173.1-103.5 105.8 -2.2 63.5 6.5 65 83 Z I E -N 48 0B 15 -17,-2.8 -17,-2.6 -2,-0.6 -2,-0.1 -0.984 24.9-135.3-125.5 122.6 -4.7 64.7 9.2 66 84 Z S E -N 47 0B 35 -2,-0.5 25,-3.5 -19,-0.3 2,-0.5 -0.300 26.4-111.6 -64.9 156.3 -5.4 68.2 10.1 67 85 Z A E -O 90 0B 23 -21,-1.6 23,-0.3 23,-0.3 -22,-0.1 -0.793 18.5-166.1 -90.9 139.7 -5.6 69.3 13.8 68 86 Z S E S+ 0 0 66 21,-1.3 2,-0.3 -2,-0.5 22,-0.2 0.903 77.5 12.5 -85.8 -38.5 -8.8 70.4 15.4 69 87 Z K E -O 89 0B 82 20,-0.9 20,-2.8 2,-0.0 2,-0.4 -0.991 56.5-161.1-137.7 152.6 -7.2 71.9 18.5 70 88 Z S E -O 88 0B 36 -2,-0.3 2,-0.8 18,-0.2 18,-0.2 -0.970 12.1-164.2-133.8 112.0 -3.7 72.8 19.7 71 89 Z I E -O 87 0B 39 16,-2.4 16,-2.3 -2,-0.4 2,-0.1 -0.844 1.2-163.7-107.3 109.4 -3.2 73.3 23.4 72 90 Z V E -O 86 0B 47 -2,-0.8 14,-0.2 14,-0.3 12,-0.1 -0.431 41.7 -87.7 -81.1 142.3 -0.1 75.1 24.6 73 91 Z H > - 0 0 25 12,-2.2 3,-2.5 10,-0.3 -1,-0.1 -0.385 33.3-125.7 -60.0 126.9 0.9 74.6 28.2 74 92 Z P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.810 109.6 41.5 -47.7 -25.9 -0.9 77.2 30.3 75 93 Z S T 3 S+ 0 0 69 8,-0.1 9,-0.1 2,-0.1 -2,-0.1 0.187 76.5 143.9-113.6 24.5 2.5 78.2 31.7 76 94 Z Y < - 0 0 55 -3,-2.5 2,-0.6 9,-0.1 7,-0.2 -0.372 38.3-151.3 -60.3 130.8 4.6 78.2 28.6 77 95 Z N > - 0 0 58 5,-2.2 4,-3.0 1,-0.1 5,-0.4 -0.945 8.5-161.0-114.1 105.1 7.1 81.1 28.8 78 96 Z S T 4 S+ 0 0 65 -2,-0.6 185,-0.5 1,-0.2 -1,-0.1 0.649 91.9 41.0 -52.4 -33.3 8.1 82.5 25.4 79 97 Z N T 4 S+ 0 0 108 183,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.940 124.1 30.8 -82.9 -61.4 11.2 84.1 27.0 80 98 Z T T 4 S- 0 0 63 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.602 96.1-134.1 -78.2 -11.8 12.5 81.5 29.4 81 99 Z L >< + 0 0 3 -4,-3.0 3,-0.8 1,-0.3 -3,-0.2 0.513 49.0 158.3 70.8 11.2 11.3 78.6 27.3 82 100 Z N T 3 + 0 0 34 -5,-0.4 -5,-2.2 1,-0.2 -1,-0.3 -0.410 58.8 16.1 -70.9 139.5 9.9 77.0 30.4 83 101 Z N T 3 S- 0 0 23 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.859 75.4-179.1 66.1 42.8 7.1 74.5 30.0 84 102 Z D < + 0 0 2 -3,-0.8 2,-0.3 75,-0.1 123,-0.2 -0.521 34.5 119.1 -76.8 75.5 7.8 74.1 26.3 85 103 Z I + 0 0 0 -2,-2.0 -12,-2.2 -47,-0.2 2,-0.3 -0.978 34.0 175.7-145.4 139.3 5.0 71.6 25.6 86 104 Z M E -MO 37 72B 0 -49,-2.0 -49,-3.2 -2,-0.3 2,-0.3 -0.963 17.5-143.8-147.1 146.0 1.9 71.5 23.4 87 105 Z L E -MO 36 71B 0 -16,-2.3 -16,-2.4 -2,-0.3 2,-0.5 -0.805 11.7-158.4-116.6 139.6 -0.8 69.0 22.7 88 106 Z I E -MO 35 70B 0 -53,-2.5 -53,-2.9 -2,-0.3 2,-0.5 -0.957 3.9-152.5-127.4 123.5 -2.4 68.6 19.4 89 107 Z K E -MO 34 69B 35 -20,-2.8 -21,-1.3 -2,-0.5 -20,-0.9 -0.789 18.8-132.4 -91.2 125.3 -5.7 67.0 18.7 90 108 Z L E - 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