==== 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 21-AUG-00 1FN6 . 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) . 9442.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 58.7 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 31.8 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 6.3 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 . 14 6.3 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 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 1 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 126.9 25.8 28.6 8.1 2 17 A V B +A 171 0A 8 169,-2.9 169,-1.3 1,-0.2 123,-0.1 -0.838 360.0 7.3 -99.8 134.4 23.3 27.6 10.8 3 18 A G S S+ 0 0 45 121,-0.6 -1,-0.2 -2,-0.4 121,-0.1 0.716 100.9 124.8 74.7 22.6 20.0 29.4 11.2 4 19 A G - 0 0 30 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 0.017 55.3-117.5 -95.2-159.1 20.6 31.5 8.0 5 20 A Y E -B 137 0B 104 132,-1.9 132,-3.0 -3,-0.1 2,-0.5 -0.943 35.8 -88.8-139.2 154.8 18.6 32.1 4.8 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.3 130,-0.2 129,-0.1 -0.559 46.5-125.1 -67.3 120.6 19.2 31.4 1.1 7 22 A a - 0 0 3 128,-2.7 128,-0.1 -2,-0.5 3,-0.1 -0.366 29.1-101.4 -61.3 144.7 21.1 34.3 -0.4 8 23 A A > - 0 0 66 1,-0.1 3,-1.9 2,-0.1 4,-0.2 -0.389 59.8 -81.1 -56.7 145.0 19.4 35.9 -3.6 9 24 A A T 3 S- 0 0 60 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.282 108.9 -5.9 -67.5 132.7 21.4 34.5 -6.6 10 25 A N T 3 S+ 0 0 33 42,-0.2 -1,-0.3 2,-0.1 43,-0.1 0.695 93.2 126.3 60.0 24.3 24.6 36.4 -7.3 11 26 A S S < S+ 0 0 59 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.543 71.7 50.1 -89.3 -5.9 23.8 39.0 -4.6 12 27 A I S > S+ 0 0 14 -4,-0.2 3,-1.9 1,-0.1 -1,-0.2 -0.693 70.2 169.0-124.8 74.1 27.2 38.3 -2.9 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.622 70.2 60.4 -78.4 -8.8 29.5 38.7 -5.9 14 29 A Y T 3 S+ 0 0 27 86,-0.2 15,-1.9 88,-0.1 2,-0.3 0.490 80.3 108.6 -88.7 -4.0 32.7 38.8 -4.0 15 30 A Q E < -J 28 0C 4 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.539 48.9-172.6 -78.7 133.4 32.1 35.3 -2.5 16 31 A V E -J 27 0C 0 11,-2.2 11,-1.1 -2,-0.3 2,-0.5 -0.847 17.8-141.7-122.1 154.3 34.4 32.5 -3.9 17 32 A S E -JK 26 49C 1 32,-1.7 32,-3.0 -2,-0.3 2,-0.5 -0.975 14.2-144.5-109.4 131.0 34.3 28.7 -3.3 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.3 -2,-0.5 7,-1.1 -0.881 26.6-171.1 -95.2 132.9 37.7 27.0 -3.0 19 34 A N E +JK 23 47C 14 28,-3.1 28,-2.5 -2,-0.5 4,-0.2 -0.966 31.8 166.6-129.1 130.4 37.5 23.6 -4.7 20 37 A S S S- 0 0 56 2,-2.7 2,-0.1 -2,-0.4 3,-0.1 -0.452 97.3 -36.7-135.3 80.4 39.7 20.6 -4.9 21 38 A G S S+ 0 0 79 26,-0.0 2,-0.3 -2,-0.0 -2,-0.0 -0.385 142.4 12.3 98.0 -46.4 37.5 17.9 -6.2 22 39 A S S S- 0 0 78 -2,-0.1 -2,-2.7 -4,-0.0 2,-0.1 -0.929 100.7 -71.2-149.9 173.2 34.8 19.5 -4.1 23 40 A H E +J 19 0C 32 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.377 50.3 156.5 -63.7 135.3 34.1 22.6 -2.1 24 41 A F E + 0 0 32 -6,-2.3 2,-0.3 1,-0.5 151,-0.3 0.550 60.0 3.7-135.2 -24.1 36.1 22.9 1.1 25 42 A b E -J 18 0C 8 -7,-1.1 -7,-3.1 151,-0.1 -1,-0.5 -0.976 62.7-125.0-154.3 163.0 36.3 26.5 2.2 26 43 A G E +J 17 0C 2 151,-2.4 12,-0.4 -2,-0.3 2,-0.3 -0.375 24.4 177.6 -97.5-174.1 35.2 30.0 1.1 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.2 10,-0.1 2,-0.4 -0.935 23.5-116.4-173.1 178.7 37.1 33.2 0.3 28 45 A S E -JL 15 36C 2 8,-1.8 8,-2.6 -2,-0.3 2,-0.6 -0.991 19.6-126.2-136.9 135.1 36.6 36.8 -0.9 29 46 A L E + L 0 35C 1 -15,-1.9 74,-2.0 -2,-0.4 6,-0.2 -0.796 30.2 170.7 -81.6 120.0 37.8 38.5 -4.0 30 47 A I E - 0 0 18 4,-2.0 2,-0.3 -2,-0.6 5,-0.2 0.536 69.2 -4.5-111.1 -14.2 39.6 41.7 -3.0 31 48 A N E > S- L 0 34C 44 3,-1.3 3,-0.8 70,-0.1 -1,-0.3 -0.941 87.8 -84.0-156.1-171.0 41.0 42.5 -6.5 32 49 A S T 3 S+ 0 0 39 -2,-0.3 62,-3.5 1,-0.3 60,-0.1 0.734 125.7 31.1 -73.8 -17.6 41.0 41.0 -9.9 33 50 A Q T 3 S+ 0 0 72 60,-0.2 57,-2.3 1,-0.1 2,-0.4 0.481 111.4 63.7-109.5 -0.3 44.0 38.8 -9.2 34 51 A W E < -LM 31 89C 3 -3,-0.8 -4,-2.0 55,-0.2 -3,-1.3 -0.989 48.1-170.9-139.3 133.6 43.8 38.0 -5.5 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.8 -2,-0.4 2,-0.4 -0.907 16.7-144.9-115.1 139.5 41.4 36.1 -3.0 36 53 A V E +LM 28 87C 1 -8,-2.6 -8,-1.8 -2,-0.4 2,-0.2 -0.902 32.1 149.8-104.7 141.4 41.8 36.2 0.8 37 54 A S E - M 0 86C 0 49,-2.4 49,-1.9 -2,-0.4 2,-0.4 -0.739 48.1 -66.8-144.8-169.8 40.9 33.1 2.9 38 55 A A > - 0 0 0 -12,-0.4 3,-2.1 47,-0.3 47,-0.3 -0.779 30.9-136.3 -91.9 131.0 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 0.854 103.2 65.0 -54.5 -35.3 45.3 29.9 6.6 40 57 A H G 3 S+ 0 0 76 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.593 92.8 64.9 -68.5 -4.5 43.8 26.7 8.2 41 58 A b G < S+ 0 0 3 -3,-2.1 -1,-0.3 -15,-0.1 -2,-0.2 0.399 75.2 140.0 -86.3 -0.7 42.2 26.0 4.8 42 59 A Y < + 0 0 121 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.103 15.3 156.3 -55.1 135.2 45.6 25.6 3.1 43 60 A K - 0 0 83 1,-0.0 3,-0.1 3,-0.0 -2,-0.0 -0.916 45.6-122.6-144.0 162.1 45.9 22.7 0.6 44 61 A S S S+ 0 0 83 -2,-0.3 2,-0.5 1,-0.1 -2,-0.0 0.753 97.8 45.6 -90.4 -18.9 48.6 22.8 -2.2 45 62 A R S S+ 0 0 215 -25,-0.0 2,-0.4 2,-0.0 -1,-0.1 -0.977 71.5 168.0-118.4 125.7 46.3 22.6 -5.2 46 63 A I - 0 0 8 -2,-0.5 21,-2.4 21,-0.2 2,-0.5 -1.000 23.5-156.6-137.1 132.7 43.2 24.9 -5.2 47 64 A Q E -KN 19 66C 45 -28,-2.5 -28,-3.1 -2,-0.4 2,-0.5 -0.985 18.4-144.2-102.8 130.1 40.7 25.8 -7.9 48 65 A V E -KN 18 65C 0 17,-2.8 17,-2.8 -2,-0.5 2,-0.7 -0.805 10.7-159.4 -89.5 119.5 39.0 29.1 -7.3 49 66 A R E -KN 17 64C 54 -32,-3.0 -32,-1.7 -2,-0.5 3,-0.4 -0.904 12.2-173.5-109.8 112.3 35.3 29.2 -8.4 50 67 A L E + N 0 63C 3 13,-2.7 13,-2.1 -2,-0.7 -34,-0.1 -0.667 60.3 27.1 -94.3 155.2 33.8 32.7 -8.9 51 69 A G S S+ 0 0 3 -36,-0.5 10,-0.2 -38,-0.3 2,-0.2 0.662 83.4 155.2 71.9 16.6 30.3 33.8 -9.7 52 70 A E + 0 0 12 -37,-0.4 -1,-0.2 -3,-0.4 -42,-0.2 -0.506 22.0 152.4 -74.9 147.9 28.7 30.7 -8.0 53 71 A H S S+ 0 0 19 1,-0.3 82,-1.2 4,-0.2 2,-0.6 0.485 79.6 33.8-128.5 -54.2 25.3 30.4 -6.5 54 72 A N B > -P 134 0D 34 3,-0.2 3,-1.0 80,-0.2 -1,-0.3 -0.912 67.9-165.5-101.1 113.0 24.5 26.7 -6.8 55 73 A I T 3 S+ 0 0 35 78,-2.2 -1,-0.1 -2,-0.6 79,-0.1 0.736 84.2 57.2 -76.3 -16.2 27.7 24.7 -6.4 56 74 A D T 3 S+ 0 0 115 77,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.551 104.8 49.2 -89.1 -12.2 26.1 21.6 -7.7 57 75 A V S < S- 0 0 83 -3,-1.0 2,-0.5 76,-0.2 -3,-0.2 -0.988 79.9-119.8-132.9 141.4 25.0 22.8 -11.2 58 76 A L + 0 0 130 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.648 34.4 173.5 -82.5 123.0 26.7 24.8 -14.0 59 77 A E - 0 0 76 -2,-0.5 -1,-0.2 -5,-0.1 -7,-0.0 0.644 44.5-113.1-111.1 -25.8 24.6 27.9 -14.3 60 78 A G S S+ 0 0 65 0, 0.0 -2,-0.1 0, 0.0 -9,-0.0 0.310 97.8 80.9 113.8 -1.5 26.7 29.9 -16.8 61 79 A N + 0 0 48 -10,-0.2 2,-0.1 38,-0.0 38,-0.1 0.283 68.5 116.5 -98.6 5.1 28.1 32.9 -14.9 62 80 A E - 0 0 28 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.425 46.1-164.1 -83.5 149.3 30.9 30.9 -13.3 63 81 A Q E -N 50 0C 35 -13,-2.1 -13,-2.7 -2,-0.1 2,-0.6 -0.988 7.4-160.8-121.0 129.2 34.6 31.5 -13.9 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.930 17.8 170.5-108.3 118.7 36.8 28.7 -12.7 65 83 A I E -N 48 0C 18 -17,-2.8 -17,-2.8 -2,-0.6 2,-0.2 -0.989 27.0-130.2-133.9 130.1 40.5 29.8 -12.2 66 84 A N E -N 47 0C 88 -2,-0.4 25,-2.1 -19,-0.2 -19,-0.2 -0.496 29.2-106.7 -80.5 148.2 43.3 27.8 -10.7 67 85 A A E -O 90 0C 23 -21,-2.4 -21,-0.2 23,-0.2 23,-0.2 -0.477 29.1-175.9 -70.2 136.4 45.5 29.3 -8.0 68 86 A A E S+ 0 0 62 21,-3.3 2,-0.4 1,-0.4 22,-0.2 0.719 73.1 19.6-102.2 -36.9 49.0 30.1 -9.1 69 87 A K E -O 89 0C 88 20,-1.8 20,-2.5 2,-0.0 2,-0.4 -0.999 60.1-168.2-138.2 140.8 50.4 31.2 -5.7 70 88 A I E -O 88 0C 41 -2,-0.4 2,-0.5 18,-0.2 18,-0.2 -0.989 10.5-176.9-129.5 119.6 49.2 30.5 -2.2 71 89 A I E -O 87 0C 42 16,-2.8 16,-2.9 -2,-0.4 2,-0.2 -0.949 7.5-161.9-128.7 110.5 50.8 32.5 0.7 72 90 A T E -O 86 0C 56 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.659 38.9 -89.9 -93.3 152.3 50.0 31.9 4.3 73 91 A H > - 0 0 18 12,-1.9 3,-1.7 10,-0.3 -1,-0.1 -0.345 34.4-130.1 -64.2 136.8 50.7 34.6 7.0 74 92 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.649 105.2 45.7 -65.0 -19.4 54.2 33.9 8.4 75 93 A N T 3 S+ 0 0 107 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.121 76.0 142.3-109.4 19.7 53.1 34.0 12.0 76 94 A F < - 0 0 64 -3,-1.7 2,-0.5 9,-0.1 7,-0.2 -0.489 38.5-153.6 -58.2 133.8 50.0 31.8 11.6 77 95 A N > - 0 0 75 5,-2.1 4,-2.3 -2,-0.1 5,-0.4 -0.955 9.9-153.5-118.9 112.8 49.8 29.7 14.8 78 96 A G T 4 S+ 0 0 58 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.588 90.3 40.0 -57.9 -22.4 48.0 26.3 14.5 79 97 A N T 4 S+ 0 0 147 1,-0.0 -1,-0.2 3,-0.0 -2,-0.0 0.854 126.4 31.7 -79.8 -53.2 46.9 26.0 18.2 80 98 A T T 4 S- 0 0 49 2,-0.1 -2,-0.2 76,-0.0 77,-0.2 0.654 93.8-139.5 -83.0 -15.7 45.8 29.4 18.9 81 99 A L >< + 0 0 35 -4,-2.3 3,-0.8 1,-0.2 2,-0.2 0.644 43.8 160.2 59.3 19.2 44.7 30.1 15.4 82 100 A D T 3 + 0 0 34 -5,-0.4 -5,-2.1 1,-0.2 -1,-0.2 -0.484 63.8 19.2 -68.5 145.7 46.2 33.6 15.6 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-1.9 1,-0.2 -10,-0.3 0.898 77.5 175.2 58.3 48.9 46.9 35.2 12.2 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.488 34.1 114.7 -84.9 83.4 44.4 32.8 10.5 85 103 A I + 0 0 0 -2,-1.9 -12,-1.9 -47,-0.3 2,-0.3 -0.996 37.0 179.2-155.2 145.7 44.7 34.4 7.0 86 104 A M E -MO 37 72C 0 -49,-1.9 -49,-2.4 -2,-0.3 2,-0.4 -0.986 16.7-142.7-148.6 141.9 46.0 33.4 3.6 87 105 A L E -MO 36 71C 0 -16,-2.9 -16,-2.8 -2,-0.3 2,-0.5 -0.925 11.0-161.8-111.9 142.3 46.2 35.1 0.2 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.5 -2,-0.4 2,-0.5 -0.980 5.4-153.7-120.8 122.7 45.7 33.3 -3.2 89 107 A K E -MO 34 69C 40 -20,-2.5 -21,-3.3 -2,-0.5 -20,-1.8 -0.838 19.9-132.1 -89.9 131.6 46.9 34.7 -6.5 90 108 A L E - 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