==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-AUG-00 1FNI . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR S.DEEPTHI,A.JOHNSON,V.PATTABHI . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9539.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 59.6 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 32.3 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 . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.0 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 . 0 0.0 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 1 6 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 1 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 119.5 25.7 28.6 8.0 2 17 A V B +A 171 0A 12 169,-2.9 169,-1.4 1,-0.2 123,-0.1 -0.842 360.0 5.6 -94.1 130.0 23.3 27.6 10.8 3 18 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.757 101.3 120.5 79.8 23.7 20.0 29.5 11.2 4 19 A G - 0 0 31 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.156 56.9-115.3-101.5-158.7 20.4 31.6 8.1 5 20 A Y E -B 137 0B 105 132,-2.0 132,-3.1 -2,-0.1 2,-0.4 -0.914 36.2 -89.2-139.3 157.1 18.5 32.0 4.8 6 21 A T E -B 136 0B 76 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.561 46.9-125.2 -70.9 120.2 19.2 31.3 1.2 7 22 A a - 0 0 4 128,-2.2 3,-0.1 -2,-0.4 128,-0.1 -0.385 29.7 -98.7 -56.1 150.0 21.0 34.3 -0.4 8 23 A A > - 0 0 68 1,-0.1 3,-2.0 2,-0.1 4,-0.3 -0.382 59.7 -84.6 -61.8 143.0 19.4 35.8 -3.5 9 24 A A T 3 S- 0 0 56 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.238 108.3 -2.9 -64.4 135.0 21.4 34.4 -6.5 10 25 A N T 3 S+ 0 0 36 42,-0.2 -1,-0.3 2,-0.1 43,-0.1 0.672 93.9 124.0 62.3 22.1 24.5 36.3 -7.3 11 26 A S S < S+ 0 0 59 -3,-2.0 -2,-0.1 1,-0.2 -1,-0.1 0.523 71.1 51.6 -86.4 -7.9 23.7 38.9 -4.6 12 27 A I > + 0 0 12 -4,-0.3 3,-1.6 1,-0.1 -1,-0.2 -0.689 70.0 170.4-125.5 74.8 27.1 38.3 -2.9 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.644 70.3 59.3 -78.6 -12.5 29.4 38.8 -5.9 14 29 A Y T 3 S+ 0 0 26 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.491 81.0 107.4 -88.3 -9.5 32.7 38.8 -3.9 15 30 A Q E < -J 28 0C 6 -3,-1.6 36,-0.5 13,-0.2 37,-0.4 -0.539 47.9-175.2 -70.6 131.9 32.1 35.2 -2.4 16 31 A V E -JK 27 50C 0 11,-2.2 11,-1.2 -2,-0.3 2,-0.4 -0.873 19.4-139.1-121.3 159.4 34.2 32.4 -3.9 17 32 A S E -JK 26 49C 1 32,-1.8 32,-2.6 -2,-0.3 2,-0.5 -0.972 14.6-142.3-109.8 131.5 34.2 28.7 -3.3 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.4 -2,-0.4 7,-1.0 -0.854 26.0-168.4 -93.2 133.9 37.6 27.0 -3.0 19 34 A N E +JK 23 47C 14 28,-2.7 28,-2.5 -2,-0.5 4,-0.2 -0.970 31.6 164.5-130.0 126.7 37.5 23.5 -4.7 20 37 A S S S- 0 0 55 2,-2.4 3,-0.1 -2,-0.4 -1,-0.0 -0.312 97.3 -40.7-129.0 61.8 39.8 20.5 -4.7 21 38 A G S S+ 0 0 73 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.394 141.3 20.9 110.1 -49.0 37.4 17.9 -6.1 22 39 A S S S- 0 0 83 -4,-0.0 -2,-2.4 0, 0.0 2,-0.1 -0.911 101.7 -77.7-143.3 156.8 34.7 19.3 -3.9 23 40 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.359 52.4 158.9 -51.6 133.0 33.9 22.6 -2.1 24 41 A F E + 0 0 31 -6,-2.4 2,-0.3 1,-0.5 151,-0.2 0.625 57.4 1.8-131.7 -24.9 36.0 22.8 1.1 25 42 A b E -J 18 0C 8 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.5 -0.954 63.3-121.7-157.7 162.1 36.3 26.4 2.2 26 43 A G E +J 17 0C 2 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.409 25.0 179.8-101.1-171.0 35.1 30.0 1.1 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.2 -2,-0.2 2,-0.4 -0.945 22.6-117.7-173.5 168.7 37.1 33.1 0.3 28 45 A S E -JL 15 36C 1 8,-2.4 8,-3.0 -2,-0.3 2,-0.6 -0.993 18.6-129.5-127.2 137.8 36.6 36.7 -0.8 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.0 -2,-0.4 6,-0.2 -0.763 29.9 169.4 -84.3 123.8 37.7 38.4 -4.0 30 47 A I E - 0 0 19 4,-2.1 2,-0.3 -2,-0.6 75,-0.2 0.595 66.8 -4.1-118.2 -17.3 39.6 41.6 -3.1 31 48 A N E > S- L 0 34C 51 3,-1.4 3,-1.1 70,-0.1 -1,-0.4 -0.940 87.9 -81.5-151.8-173.4 40.9 42.5 -6.5 32 49 A S T 3 S+ 0 0 43 -2,-0.3 62,-3.2 1,-0.3 60,-0.1 0.747 126.4 27.4 -51.2 -37.1 41.0 41.0 -10.0 33 50 A Q T 3 S+ 0 0 62 60,-0.2 57,-2.5 1,-0.1 2,-0.4 0.464 111.3 67.4-107.2 -3.3 43.9 38.7 -9.2 34 51 A W E < -LM 31 89C 7 -3,-1.1 -4,-2.1 55,-0.2 -3,-1.4 -0.983 47.6-171.2-136.1 134.0 43.8 38.0 -5.4 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.7 -2,-0.4 2,-0.4 -0.903 15.6-145.6-114.8 142.0 41.4 36.1 -3.1 36 53 A V E +LM 28 87C 2 -8,-3.0 -8,-2.4 -2,-0.4 51,-0.2 -0.936 31.5 144.7-109.2 144.7 41.6 36.1 0.7 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.1 -2,-0.4 2,-0.4 -0.695 49.8 -64.9-149.9-169.4 40.8 33.1 2.9 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.820 30.3-136.4 -93.8 139.8 41.8 31.4 6.1 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.834 102.9 66.5 -65.0 -27.5 45.3 29.8 6.5 40 57 A H G 3 S+ 0 0 74 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.581 93.0 63.7 -70.7 -5.7 43.7 26.7 8.2 41 58 A b G < S+ 0 0 3 -3,-1.9 -1,-0.3 -15,-0.1 -2,-0.2 0.338 76.5 141.3 -89.5 -1.8 42.1 26.0 4.8 42 59 A Y < + 0 0 122 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.1 -0.107 16.3 158.6 -50.0 133.6 45.5 25.5 3.2 43 60 A K - 0 0 80 1,-0.0 -2,-0.1 3,-0.0 3,-0.0 -0.950 46.1-118.0-144.2 158.1 45.8 22.7 0.6 44 61 A S S S+ 0 0 94 -2,-0.3 2,-0.4 1,-0.1 26,-0.0 0.750 98.9 35.5 -79.5 -22.5 48.6 22.5 -2.1 45 62 A R S S+ 0 0 202 2,-0.0 2,-0.4 -25,-0.0 -1,-0.1 -0.995 70.9 172.7-130.8 131.4 46.3 22.7 -5.2 46 63 A I - 0 0 8 -2,-0.4 21,-2.6 21,-0.2 2,-0.5 -0.986 22.0-153.2-142.6 130.7 43.1 24.8 -5.2 47 64 A Q E -KN 19 66C 47 -28,-2.5 -28,-2.7 -2,-0.4 2,-0.5 -0.960 20.1-143.4 -97.9 129.2 40.6 25.7 -8.0 48 65 A V E -KN 18 65C 0 17,-3.0 17,-2.6 -2,-0.5 2,-0.6 -0.849 10.4-158.4 -92.5 126.4 38.9 29.1 -7.3 49 66 A R E -KN 17 64C 52 -32,-2.6 -32,-1.8 -2,-0.5 3,-0.4 -0.916 13.1-176.2-113.4 111.7 35.2 29.2 -8.3 50 67 A L E +KN 16 63C 2 13,-2.6 13,-2.2 -2,-0.6 -34,-0.1 -0.707 60.7 29.3-100.0 154.4 33.8 32.6 -8.9 51 69 A G S S+ 0 0 3 -36,-0.5 2,-0.2 -38,-0.3 10,-0.2 0.700 84.0 154.6 75.4 15.8 30.2 33.7 -9.8 52 70 A E + 0 0 13 -37,-0.4 -1,-0.2 -3,-0.4 -42,-0.2 -0.546 21.7 151.0 -79.7 149.3 28.7 30.7 -8.0 53 71 A H S S+ 0 0 18 1,-0.3 82,-1.2 -2,-0.2 2,-0.6 0.526 80.7 32.6-129.5 -60.0 25.2 30.3 -6.5 54 72 A N B > S-P 134 0D 32 3,-0.2 3,-1.2 80,-0.2 -1,-0.3 -0.925 70.7-163.9 -94.9 110.2 24.4 26.6 -6.8 55 73 A I T 3 S+ 0 0 32 78,-2.3 -1,-0.1 -2,-0.6 79,-0.1 0.692 84.1 54.2 -80.1 -9.3 27.7 24.7 -6.4 56 74 A D T 3 S+ 0 0 116 77,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.474 105.2 53.3 -96.2 -0.8 26.3 21.4 -7.8 57 75 A V S < S- 0 0 82 -3,-1.2 2,-0.5 76,-0.2 -3,-0.2 -0.996 80.2-122.2-133.9 134.7 24.9 22.7 -11.1 58 76 A L + 0 0 137 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.619 32.3 174.3 -78.3 118.6 26.6 24.7 -14.0 59 77 A E - 0 0 71 -2,-0.5 -1,-0.2 -5,-0.1 -7,-0.0 0.650 45.8-111.6-102.0 -24.9 24.5 27.9 -14.3 60 78 A G S S+ 0 0 71 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.274 99.5 81.1 120.6 -8.6 26.5 29.8 -16.8 61 79 A N + 0 0 47 -10,-0.2 2,-0.1 38,-0.0 38,-0.1 0.341 67.4 113.3 -96.3 -2.5 27.9 32.8 -14.8 62 80 A E - 0 0 29 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.456 46.9-162.8 -81.2 151.1 30.8 30.9 -13.2 63 81 A Q E -N 50 0C 37 -13,-2.2 -13,-2.6 -2,-0.1 2,-0.6 -0.983 7.2-161.9-123.6 124.4 34.5 31.4 -13.8 64 82 A F E +N 49 0C 74 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.930 17.4 170.2-109.9 111.5 36.8 28.6 -12.7 65 83 A I E -N 48 0C 21 -17,-2.6 -17,-3.0 -2,-0.6 2,-0.1 -0.999 28.1-127.8-127.7 132.5 40.4 29.7 -12.3 66 84 A N E -N 47 0C 91 -2,-0.4 25,-2.3 -19,-0.2 26,-0.2 -0.464 29.4-106.6 -76.8 150.7 43.3 27.7 -10.7 67 85 A A E -O 90 0C 24 -21,-2.6 23,-0.2 23,-0.2 -21,-0.2 -0.519 29.0-175.9 -74.2 140.6 45.5 29.2 -8.0 68 86 A A E S+ 0 0 62 21,-3.8 2,-0.3 1,-0.4 22,-0.2 0.714 72.5 19.5-102.9 -35.8 48.9 30.1 -9.1 69 87 A K E -O 89 0C 81 20,-1.4 20,-2.6 2,-0.0 2,-0.4 -0.997 59.5-167.7-140.2 134.8 50.3 31.2 -5.7 70 88 A I E -O 88 0C 41 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.986 11.2-177.7-127.5 117.3 49.2 30.4 -2.1 71 89 A I E -O 87 0C 43 16,-2.7 16,-2.8 -2,-0.4 2,-0.2 -0.937 8.0-161.7-125.4 109.8 50.7 32.5 0.7 72 90 A T E -O 86 0C 57 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.646 40.4 -88.7 -86.6 151.9 49.8 31.8 4.4 73 91 A H > - 0 0 20 12,-2.2 3,-1.9 10,-0.3 -1,-0.1 -0.336 35.3-131.5 -58.7 134.2 50.6 34.5 7.1 74 92 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.726 105.0 46.6 -63.4 -23.8 54.1 33.9 8.3 75 93 A N T 3 S+ 0 0 110 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.199 76.9 140.8-105.4 17.8 53.0 34.1 12.0 76 94 A F < - 0 0 64 -3,-1.9 2,-0.5 7,-0.1 7,-0.2 -0.320 39.3-153.6 -52.1 136.5 50.0 31.8 11.6 77 95 A N > - 0 0 68 5,-2.1 4,-1.9 1,-0.1 5,-0.3 -0.951 11.1-159.1-121.8 120.8 49.8 29.6 14.7 78 96 A G T 4 S+ 0 0 58 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.682 90.0 50.2 -74.5 -22.1 48.0 26.3 14.4 79 97 A N T 4 S+ 0 0 138 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.922 125.2 21.7 -79.4 -51.4 47.4 25.9 18.2 80 98 A T T 4 S- 0 0 50 2,-0.1 -2,-0.2 76,-0.0 77,-0.2 0.543 95.2-130.2 -93.9 -13.6 45.8 29.3 18.9 81 99 A L >< + 0 0 41 -4,-1.9 3,-0.8 1,-0.2 -3,-0.2 0.646 48.7 160.9 67.5 14.1 44.6 30.1 15.4 82 100 A D T 3 + 0 0 36 -5,-0.3 -5,-2.1 1,-0.2 -1,-0.2 -0.462 64.9 16.6 -61.3 143.5 46.2 33.6 15.6 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.884 76.8 175.1 61.3 43.5 46.8 35.2 12.2 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.474 34.2 116.7 -83.9 83.2 44.5 32.8 10.4 85 103 A I + 0 0 0 -2,-2.1 -12,-2.2 -47,-0.3 2,-0.3 -0.997 36.5 179.1-151.7 141.8 44.7 34.4 7.0 86 104 A M E -MO 37 72C 0 -49,-2.1 -49,-2.5 -2,-0.3 2,-0.4 -0.989 16.7-142.5-145.5 143.8 46.0 33.4 3.6 87 105 A L E -MO 36 71C 0 -16,-2.8 -16,-2.7 -2,-0.3 2,-0.5 -0.921 10.7-162.1-109.4 137.6 46.2 35.0 0.2 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.5 -2,-0.4 2,-0.5 -0.975 6.4-152.4-117.6 124.2 45.6 33.2 -3.1 89 107 A K E -MO 34 69C 37 -20,-2.6 -21,-3.8 -2,-0.5 -20,-1.4 -0.810 19.5-132.1 -91.7 133.1 46.8 34.6 -6.5 90 108 A L E - 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