==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-MAY-01 1H4W . COMPND 2 MOLECULE: TRYPSIN IVA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.KATONA,G.I.BERGLUND,J.HAJDU,L.GRAF,L.SZILAGYI . 224 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9783.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 62.5 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 . 19 8.5 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 . 16 7.1 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,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 125.7 58.7 36.1 41.9 2 17 A V B +A 171 0A 11 169,-3.2 169,-1.7 1,-0.2 123,-0.1 -0.897 360.0 3.8-105.5 130.4 59.9 38.7 39.4 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.671 102.2 119.0 73.8 18.2 62.6 41.2 40.5 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.058 58.3-112.1 -97.7-158.5 63.1 39.7 43.9 5 20 A Y E -B 137 0B 102 132,-2.4 132,-3.8 -3,-0.1 2,-0.4 -0.922 34.5 -89.6-135.8 160.4 66.1 38.1 45.7 6 21 A T E -B 136 0B 57 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.588 46.7-127.6 -73.1 123.9 67.0 34.6 46.8 7 22 A a - 0 0 2 128,-2.1 2,-0.2 -2,-0.4 3,-0.1 -0.332 30.5 -96.3 -67.4 154.7 65.7 34.1 50.4 8 23 A E > - 0 0 139 1,-0.1 3,-2.2 2,-0.1 4,-0.3 -0.515 60.1 -79.9 -71.4 140.4 68.2 32.9 53.0 9 24 A E T 3 S- 0 0 106 1,-0.3 -1,-0.1 -2,-0.2 44,-0.1 -0.132 108.5 -10.8 -46.5 122.5 68.0 29.1 53.4 10 25 A N T 3 S+ 0 0 24 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.710 91.0 131.3 58.0 26.6 65.1 28.1 55.6 11 26 A S S < S+ 0 0 54 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.601 71.0 51.9 -81.7 -11.1 64.5 31.7 56.7 12 27 A L > + 0 0 17 -4,-0.3 3,-2.2 1,-0.1 -1,-0.3 -0.656 68.4 174.2-123.9 71.8 60.7 31.3 56.0 13 28 A P T 3 S+ 0 0 24 0, 0.0 88,-0.7 0, 0.0 38,-0.4 0.672 75.0 59.5 -51.6 -23.7 59.9 28.1 57.9 14 29 A Y T 3 S+ 0 0 19 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.559 80.1 104.8 -86.5 -9.8 56.2 28.4 57.1 15 30 A Q E < -J 28 0C 4 -3,-2.2 36,-0.4 13,-0.2 37,-0.4 -0.582 49.8-177.1 -76.5 129.8 56.6 28.3 53.3 16 31 A V E -J 27 0C 1 11,-2.2 11,-1.2 -2,-0.3 2,-0.4 -0.861 21.5-135.1-125.2 160.5 55.6 25.1 51.7 17 32 A S E -JK 26 49C 1 32,-2.2 32,-3.1 -2,-0.3 2,-0.6 -0.952 13.5-143.2-114.4 131.6 55.7 23.7 48.2 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.2 -2,-0.4 7,-1.1 -0.875 25.6-166.3 -95.0 123.1 52.6 21.8 46.8 19 34 A N E +JK 23 47C 16 28,-3.2 28,-2.7 -2,-0.6 4,-0.2 -0.934 29.9 165.2-120.1 134.7 53.9 19.0 44.6 20 37 A S S S- 0 0 55 2,-2.2 3,-0.1 -2,-0.4 26,-0.0 -0.440 95.7 -43.1-138.5 56.6 52.1 16.8 42.1 21 38 A G S S+ 0 0 75 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.174 140.6 16.3 105.6 -35.9 55.0 15.3 40.3 22 39 A S S S- 0 0 69 -4,-0.1 -2,-2.2 0, 0.0 2,-0.2 -0.950 104.3 -71.6-156.4 166.2 56.6 18.7 40.3 23 40 A H E +J 19 0C 15 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.467 53.7 154.6 -67.0 133.2 56.1 22.0 42.2 24 41 A F E + 0 0 26 -6,-2.2 2,-0.3 1,-0.4 151,-0.2 0.525 59.0 9.7-135.1 -16.3 52.9 23.8 41.1 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.1 151,-0.1 -1,-0.4 -0.987 61.8-125.3-159.9 163.0 51.8 26.1 43.9 26 43 A G E +J 17 0C 1 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.482 25.0 177.9-105.0 179.6 52.9 27.5 47.3 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.2 -2,-0.2 2,-0.4 -0.966 23.1-118.2-168.6 173.5 51.2 27.4 50.7 28 45 A S E -JL 15 36C 1 8,-2.4 8,-2.9 -2,-0.3 2,-0.6 -0.993 17.1-134.2-131.6 132.9 51.6 28.4 54.3 29 46 A L E + L 0 35C 0 -15,-2.2 74,-2.1 -2,-0.4 6,-0.2 -0.741 30.6 164.8 -85.3 117.5 51.7 26.2 57.4 30 47 A I E + 0 0 23 4,-2.0 2,-0.3 -2,-0.6 5,-0.2 0.548 69.1 13.1-108.3 -11.6 49.5 27.7 60.1 31 48 A S E > S- L 0 34C 38 3,-1.4 3,-1.0 70,-0.1 -1,-0.3 -0.954 90.8 -93.1-154.4 162.5 49.3 24.6 62.4 32 49 A E T 3 S+ 0 0 99 -2,-0.3 62,-3.1 1,-0.3 60,-0.1 0.794 126.3 24.1 -53.0 -29.4 51.2 21.3 62.6 33 50 A Q T 3 S+ 0 0 49 60,-0.2 57,-2.5 58,-0.1 2,-0.4 0.314 111.7 79.9-120.7 9.3 48.7 19.6 60.4 34 51 A W E < -LM 31 89C 4 -3,-1.0 -4,-2.0 55,-0.2 -3,-1.4 -0.965 47.7-174.4-129.3 135.2 47.1 22.4 58.4 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.7 -2,-0.4 2,-0.4 -0.945 14.2-146.6-122.6 140.5 48.2 24.4 55.4 36 53 A V E +LM 28 87C 1 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.2 -0.892 33.7 144.2-106.2 136.7 46.5 27.5 53.8 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.4 -2,-0.4 2,-0.3 -0.783 50.4 -68.3-150.3-167.7 46.7 27.9 50.0 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.2 -0.753 31.8-133.0 -96.7 143.5 44.6 29.2 47.0 39 56 A A G > S+ 0 0 1 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.803 105.5 64.7 -63.8 -29.0 41.5 27.3 45.9 40 57 A H G 3 S+ 0 0 63 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.577 91.5 66.4 -73.0 -3.3 42.7 27.6 42.2 41 58 A b G < S+ 0 0 3 -3,-1.7 -1,-0.3 -15,-0.0 -2,-0.2 0.282 76.5 137.9 -94.6 7.5 45.6 25.3 43.3 42 59 A Y < + 0 0 84 -3,-1.7 2,-0.3 -5,-0.0 3,-0.1 -0.259 21.4 162.6 -60.2 139.1 43.2 22.5 43.9 43 60 A K - 0 0 81 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 -0.967 45.9-119.9-154.1 145.6 44.2 19.0 42.8 44 61 A T S S+ 0 0 109 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.883 103.7 32.4 -55.2 -43.8 42.8 15.5 43.7 45 62 A R S S+ 0 0 163 -3,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.973 72.4 172.2-121.2 129.0 46.2 14.4 45.0 46 63 A I - 0 0 2 -2,-0.4 21,-2.7 21,-0.3 2,-0.5 -0.991 19.6-157.6-140.5 130.6 48.8 16.7 46.6 47 64 A Q E -KN 19 66C 45 -28,-2.7 -28,-3.2 -2,-0.4 2,-0.5 -0.924 18.4-145.0-105.3 127.5 52.1 16.1 48.4 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.8 -2,-0.5 2,-0.6 -0.812 9.8-159.0 -94.9 126.4 53.1 18.9 50.7 49 66 A R E -KN 17 64C 52 -32,-3.1 -32,-2.2 -2,-0.5 3,-0.3 -0.914 13.3-177.2-111.8 113.3 56.8 19.6 50.9 50 67 A L E + N 0 63C 1 13,-2.9 13,-1.9 -2,-0.6 -34,-0.1 -0.643 59.0 32.3-105.4 161.7 58.1 21.4 54.0 51 69 A G S S+ 0 0 3 -36,-0.4 10,-0.2 -38,-0.4 2,-0.2 0.748 84.7 152.0 66.5 26.2 61.5 22.6 55.0 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.565 23.9 150.3 -92.8 151.4 62.5 23.3 51.4 53 71 A H S S+ 0 0 6 1,-0.3 82,-1.0 4,-0.2 2,-0.8 0.361 82.0 33.4-134.3 -65.5 64.9 25.8 49.9 54 72 A N B > S-P 134 0D 31 3,-0.2 3,-0.7 80,-0.2 -1,-0.3 -0.880 71.9-163.3 -97.7 108.9 66.2 24.2 46.7 55 73 A I T 3 S+ 0 0 21 78,-2.4 -1,-0.1 -2,-0.8 79,-0.1 0.540 84.6 52.4 -72.3 -5.8 63.2 22.1 45.4 56 74 A K T 3 S+ 0 0 139 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.609 104.7 58.2-102.9 -15.7 65.4 20.0 43.1 57 75 A V S < S- 0 0 82 -3,-0.7 2,-0.5 76,-0.2 -4,-0.2 -0.941 80.6-121.2-122.5 138.3 68.0 18.9 45.6 58 76 A L + 0 0 137 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.627 32.2 173.0 -74.1 122.5 67.7 16.9 48.8 59 77 A E - 0 0 72 -2,-0.5 -1,-0.2 -5,-0.1 -7,-0.0 0.584 48.0-111.0-106.5 -16.8 69.2 19.1 51.5 60 78 A G S S+ 0 0 67 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.352 100.9 78.9 103.8 -6.1 68.3 17.1 54.6 61 79 A N + 0 0 60 -10,-0.2 -9,-0.1 38,-0.0 38,-0.1 0.391 65.5 117.9-113.3 1.4 65.7 19.3 56.2 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.287 43.4-164.1 -72.2 153.9 62.7 18.4 54.0 63 81 A Q E -N 50 0C 33 -13,-1.9 -13,-2.9 2,-0.1 2,-0.6 -0.968 5.6-162.0-137.2 114.9 59.5 16.7 55.2 64 82 A F E +N 49 0C 82 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.911 17.9 169.0-103.1 120.1 57.3 15.3 52.5 65 83 A I E -N 48 0C 15 -17,-2.8 -17,-3.2 -2,-0.6 2,-0.1 -0.992 28.3-131.1-135.5 127.6 53.7 14.7 53.7 66 84 A N E -N 47 0C 82 -2,-0.4 25,-2.7 -19,-0.3 26,-0.3 -0.446 27.4-113.6 -75.6 149.0 50.7 13.8 51.6 67 85 A A E -O 90 0C 17 -21,-2.7 -21,-0.3 23,-0.2 23,-0.3 -0.627 24.0-170.9 -81.2 139.1 47.5 15.7 52.0 68 86 A V E S+ 0 0 94 21,-3.1 2,-0.3 1,-0.3 22,-0.2 0.741 73.7 19.0 -99.0 -31.2 44.6 13.7 53.5 69 87 A K E -O 89 0C 92 20,-1.4 20,-3.1 2,-0.0 2,-0.5 -0.994 60.5-163.7-145.0 135.4 41.9 16.3 52.9 70 88 A I E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.972 9.9-171.5-121.6 118.5 41.6 19.3 50.7 71 89 A I E -O 87 0C 27 16,-3.3 16,-2.9 -2,-0.5 2,-0.2 -0.908 3.8-165.2-118.0 109.7 38.9 21.9 51.5 72 90 A R E -O 86 0C 109 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.548 42.4 -88.6 -84.5 153.3 38.2 24.8 49.1 73 91 A H > - 0 0 24 12,-2.0 3,-1.9 10,-0.3 -1,-0.1 -0.389 35.5-124.5 -62.1 138.9 36.1 27.6 50.4 74 92 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.806 109.4 46.3 -53.8 -34.3 32.3 26.9 49.8 75 93 A K T 3 S+ 0 0 158 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.145 78.1 141.4 -99.3 19.7 31.9 30.2 47.8 76 94 A Y < - 0 0 47 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.425 38.0-155.2 -63.2 130.8 35.0 29.8 45.6 77 95 A N B >> -Q 82 0E 57 5,-2.0 4,-3.0 -2,-0.1 5,-0.5 -0.919 7.9-162.8-114.3 106.3 34.2 31.1 42.1 78 96 A R T 45S+ 0 0 172 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.779 89.4 50.0 -56.0 -30.7 36.4 29.5 39.5 79 97 A D T 45S+ 0 0 116 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.883 125.5 22.2 -79.2 -40.1 35.5 32.2 36.9 80 98 A T T 45S- 0 0 67 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.561 95.0-129.2-103.1 -12.6 36.1 35.3 39.0 81 99 A L T ><5 + 0 0 35 -4,-3.0 3,-0.9 1,-0.2 -3,-0.2 0.715 48.8 163.1 68.2 21.7 38.5 33.8 41.6 82 100 A D B 3 < +Q 77 0E 45 -5,-0.5 -5,-2.0 1,-0.3 -1,-0.2 -0.487 66.4 13.6 -69.4 142.5 36.3 35.3 44.3 83 101 A N T 3 S+ 0 0 23 -7,-0.2 2,-1.9 1,-0.2 -10,-0.3 0.898 81.2 179.9 56.1 45.8 37.0 33.6 47.7 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 -8,-0.1 -1,-0.2 -0.519 33.6 114.4 -80.5 77.5 40.2 32.0 46.4 85 103 A I - 0 0 0 -2,-1.9 -12,-2.0 -47,-0.2 2,-0.3 -0.992 37.5-177.9-146.3 149.7 41.4 30.2 49.5 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.6 -2,-0.3 2,-0.4 -0.997 17.2-140.0-151.3 147.3 41.8 26.6 50.5 87 105 A L E -MO 36 71C 0 -16,-2.9 -16,-3.3 -2,-0.3 2,-0.5 -0.904 13.2-162.7-111.6 139.6 42.7 24.5 53.5 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.4 -2,-0.4 2,-0.5 -0.982 5.2-154.7-124.6 122.6 44.9 21.3 53.3 89 107 A K E -MO 34 69C 36 -20,-3.1 -21,-3.1 -2,-0.5 -20,-1.4 -0.856 17.8-134.8 -98.2 127.6 45.0 18.8 56.1 90 108 A L E - O 0 67C 0 -57,-2.5 -23,-0.2 -2,-0.5 -24,-0.1 -0.533 14.3-126.3 -79.6 145.4 48.2 16.7 56.2 91 109 A S S S+ 0 0 64 -25,-2.7 -1,-0.1 -2,-0.2 -24,-0.1 0.791 98.0 17.2 -60.2 -28.3 47.9 13.0 56.7 92 110 A S S S- 0 0 54 -26,-0.3 -1,-0.1 -60,-0.1 2,-0.1 -0.984 95.5 -94.1-142.9 151.3 50.3 13.4 59.7 93 111 A P - 0 0 76 0, 0.0 -60,-0.2 0, 0.0 -61,-0.1 -0.404 42.7-116.1 -68.0 140.7 51.5 16.4 61.7 94 112 A A - 0 0 7 -62,-3.1 2,-0.7 -63,-0.1 -60,-0.0 -0.402 27.7-110.5 -72.6 152.9 54.7 18.1 60.6 95 113 A V - 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