==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-NOV-03 1V6D . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR N.SHAMALADEVI,V.PATTABHI . 230 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 57.4 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 30.9 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 . 1 0.4 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 . 12 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.5 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 . 3 1 2 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 2 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 121.8 19.6 -15.0 45.0 2 17 A V B +A 171 0A 9 169,-2.9 169,-1.7 1,-0.2 123,-0.1 -0.863 360.0 6.0 -96.9 132.9 22.4 -14.0 42.4 3 18 A G S S+ 0 0 45 121,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.737 101.9 121.8 72.2 24.9 22.8 -15.9 39.2 4 19 A G - 0 0 30 -3,-0.4 2,-0.3 120,-0.1 134,-0.2 -0.112 56.5-117.4 -97.6-161.6 19.6 -18.0 39.8 5 20 A Y E -B 137 0B 119 132,-2.3 132,-3.1 -2,-0.1 2,-0.4 -0.958 34.3 -89.1-138.6 157.8 16.4 -18.5 37.8 6 21 A T E -B 136 0B 68 -2,-0.3 130,-0.2 130,-0.2 3,-0.1 -0.561 48.1-125.2 -71.1 122.5 12.8 -17.8 38.5 7 22 A a - 0 0 3 128,-2.4 3,-0.1 -2,-0.4 128,-0.1 -0.322 30.9 -95.8 -64.5 148.2 11.3 -20.8 40.2 8 23 A A > - 0 0 66 1,-0.1 3,-2.2 2,-0.1 4,-0.3 -0.399 62.3 -79.9 -59.8 140.8 8.2 -22.4 38.7 9 24 A A T 3 S- 0 0 59 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.186 110.6 -8.1 -50.7 123.7 5.2 -21.0 40.5 10 25 A N T 3 S+ 0 0 27 42,-0.2 -1,-0.3 2,-0.1 43,-0.1 0.687 92.2 130.0 57.6 28.9 4.6 -22.8 43.8 11 26 A S S < S+ 0 0 64 -3,-2.2 -2,-0.1 1,-0.2 -1,-0.1 0.558 70.7 52.0 -87.7 -8.7 7.3 -25.4 43.0 12 27 A I > + 0 0 12 -4,-0.3 3,-1.9 1,-0.1 -1,-0.2 -0.684 69.5 170.9-124.5 71.4 8.9 -24.8 46.4 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.626 71.7 58.1 -66.0 -13.3 5.8 -25.2 48.7 14 29 A Y T 3 S+ 0 0 29 86,-0.2 15,-2.1 88,-0.1 2,-0.3 0.477 81.8 107.7 -93.4 -6.4 7.8 -25.2 52.0 15 30 A Q E < -J 28 0C 6 -3,-1.9 36,-0.6 13,-0.2 37,-0.4 -0.540 48.8-174.6 -74.6 132.4 9.3 -21.7 51.3 16 31 A V E -JK 27 50C 1 11,-2.4 11,-1.1 -2,-0.3 2,-0.4 -0.852 20.7-137.4-125.0 160.5 7.9 -18.9 53.4 17 32 A S E -JK 26 49C 1 32,-1.9 32,-2.8 -2,-0.3 2,-0.5 -0.966 15.1-144.2-112.8 130.2 8.4 -15.1 53.5 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.4 -2,-0.4 7,-1.1 -0.902 26.2-168.9 -96.1 128.7 8.7 -13.4 56.9 19 34 A N E +JK 23 47C 8 28,-3.1 28,-2.9 -2,-0.5 4,-0.2 -0.947 32.3 165.5-127.8 137.2 7.0 -10.0 56.7 20 37 A S S S- 0 0 43 2,-1.9 3,-0.1 -2,-0.3 26,-0.0 -0.501 97.5 -40.0-143.9 64.2 7.0 -7.0 59.0 21 38 A G S S+ 0 0 67 26,-0.0 2,-0.3 0, 0.0 -2,-0.1 -0.055 140.6 16.2 98.3 -31.2 5.5 -4.4 56.7 22 39 A S S S- 0 0 77 -4,-0.0 -2,-1.9 0, 0.0 2,-0.1 -0.966 102.7 -71.2-162.4 162.0 7.6 -5.9 53.9 23 40 A H E +J 19 0C 34 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.375 51.6 157.1 -57.4 134.2 9.6 -9.0 53.2 24 41 A F E + 0 0 34 -6,-2.4 2,-0.3 1,-0.4 151,-0.3 0.587 59.1 2.5-131.7 -22.9 12.8 -9.3 55.2 25 42 A b E -J 18 0C 8 -7,-1.1 -7,-2.9 151,-0.1 -1,-0.4 -0.977 61.9-121.4-159.7 164.5 13.8 -12.9 55.5 26 43 A G E +J 17 0C 1 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.392 26.1 175.9-101.6-175.6 12.9 -16.4 54.3 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.1 2,-0.4 -0.944 23.6-117.1-172.1 176.5 12.0 -19.5 56.3 28 45 A S E -JL 15 36C 0 8,-2.3 8,-3.0 -2,-0.3 2,-0.7 -0.974 18.9-127.6-134.5 134.2 10.9 -23.1 55.8 29 46 A L E + L 0 35C 0 -15,-2.1 74,-1.6 -2,-0.4 6,-0.2 -0.805 34.4 162.9 -80.9 117.0 7.7 -24.9 56.9 30 47 A I E + 0 0 23 4,-2.1 2,-0.3 -2,-0.7 5,-0.2 0.584 68.6 12.9-111.8 -13.5 8.7 -28.0 58.8 31 48 A N E > S- L 0 34C 50 3,-1.5 3,-0.6 70,-0.1 -1,-0.3 -0.926 86.6 -99.3-150.9 164.8 5.4 -28.7 60.6 32 49 A S T 3 S+ 0 0 38 -2,-0.3 62,-3.5 1,-0.2 60,-0.1 0.777 125.9 29.9 -64.2 -20.8 1.9 -27.3 60.1 33 50 A Q T 3 S+ 0 0 74 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.449 112.6 70.4-116.4 0.7 2.6 -25.0 63.0 34 51 A W E < -LM 31 89C 5 -3,-0.6 -4,-2.1 55,-0.2 -3,-1.5 -0.981 47.9-172.4-133.1 136.4 6.3 -24.4 62.9 35 52 A V E -LM 29 88C 0 53,-2.3 53,-2.8 -2,-0.4 2,-0.4 -0.931 15.4-147.1-119.0 135.9 8.7 -22.5 60.6 36 53 A V E +LM 28 87C 0 -8,-3.0 -8,-2.3 -2,-0.4 2,-0.2 -0.897 31.6 145.6-107.8 137.4 12.5 -22.6 60.8 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.2 -2,-0.4 2,-0.4 -0.722 48.9 -66.3-147.5-166.8 14.6 -19.6 60.0 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.836 30.8-135.4 -98.5 137.6 17.8 -17.8 61.0 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.798 102.4 64.7 -61.8 -30.8 18.3 -16.1 64.4 40 57 A H G 3 S+ 0 0 76 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.541 92.7 65.6 -72.7 -4.2 19.9 -13.0 62.9 41 58 A b G < S+ 0 0 4 -3,-1.8 -1,-0.3 -15,-0.1 -2,-0.2 0.351 76.9 142.4 -90.2 0.9 16.5 -12.4 61.2 42 59 A Y < + 0 0 128 -3,-1.9 2,-0.3 -4,-0.1 3,-0.1 -0.115 18.1 161.9 -50.3 134.8 15.0 -11.9 64.7 43 60 A K - 0 0 91 1,-0.1 -2,-0.1 3,-0.0 3,-0.0 -0.967 44.5-119.8-148.9 150.9 12.3 -9.2 65.0 44 61 A S S S+ 0 0 108 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 0.894 99.3 32.2 -61.2 -48.3 9.7 -8.7 67.7 45 62 A R S S+ 0 0 111 -3,-0.1 2,-0.4 186,-0.1 -1,-0.1 -0.954 71.8 174.3-117.0 132.7 6.6 -9.0 65.4 46 63 A I - 0 0 4 -2,-0.5 21,-2.6 21,-0.2 2,-0.5 -0.998 20.5-156.6-139.8 136.3 6.5 -11.2 62.4 47 64 A Q E -KN 19 66C 10 -28,-2.9 -28,-3.1 -2,-0.4 2,-0.5 -0.967 19.6-143.6-108.6 129.7 3.8 -12.2 59.9 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.6 -2,-0.5 2,-0.6 -0.807 10.8-158.8 -95.2 125.1 4.5 -15.5 58.1 49 66 A R E -KN 17 64C 18 -32,-2.8 -32,-1.9 -2,-0.5 3,-0.4 -0.929 13.0-177.1-111.7 111.7 3.4 -15.7 54.4 50 67 A L E +KN 16 63C 2 13,-3.0 13,-1.9 -2,-0.6 -34,-0.1 -0.812 60.0 31.3 -97.6 168.7 2.9 -19.0 53.0 51 69 A G S S+ 0 0 3 -36,-0.6 10,-0.2 -2,-0.3 -1,-0.2 0.687 84.3 154.1 63.8 15.5 2.0 -20.1 49.5 52 70 A E + 0 0 12 -37,-0.4 -42,-0.2 -3,-0.4 -1,-0.2 -0.447 22.0 147.4 -82.3 148.4 3.8 -17.1 47.9 53 71 A H S S+ 0 0 18 1,-0.3 82,-1.3 4,-0.2 2,-0.7 0.402 81.4 34.0-134.0 -58.9 5.3 -16.8 44.6 54 72 A N B > -P 134 0D 32 3,-0.2 3,-1.2 80,-0.2 -1,-0.3 -0.923 69.0-168.5 -99.8 104.5 4.9 -13.1 43.6 55 73 A I T 3 S+ 0 0 31 78,-2.3 -1,-0.1 -2,-0.7 79,-0.1 0.633 82.5 58.4 -73.4 -11.5 5.2 -11.2 47.0 56 74 A D T 3 S+ 0 0 118 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.487 105.6 49.3 -94.1 -6.6 3.9 -8.0 45.4 57 75 A V S < S- 0 0 78 -3,-1.2 2,-0.4 76,-0.2 -3,-0.2 -0.986 79.8-121.3-136.5 136.8 0.6 -9.3 44.3 58 76 A L + 0 0 96 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.569 32.3 173.6 -75.6 119.8 -2.2 -11.3 45.9 59 77 A E - 0 0 76 -2,-0.4 -1,-0.2 -5,-0.1 -4,-0.0 0.647 46.8-110.9-101.4 -22.1 -2.5 -14.5 43.8 60 78 A G S S+ 0 0 62 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.348 100.6 81.4 107.3 -7.9 -5.1 -16.4 45.9 61 79 A N + 0 0 67 -10,-0.2 2,-0.1 38,-0.0 38,-0.1 0.439 67.2 114.7-104.1 1.3 -3.1 -19.2 47.2 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.359 44.5-166.8 -75.6 153.0 -1.5 -17.3 50.1 63 81 A Q E -N 50 0C 34 -13,-1.9 -13,-3.0 -2,-0.1 2,-0.6 -0.986 7.3-162.5-134.5 119.2 -2.1 -17.9 53.8 64 82 A F E +N 49 0C 20 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.936 16.3 172.0-108.1 115.8 -0.8 -15.1 56.0 65 83 A I E -N 48 0C 21 -17,-2.6 -17,-3.2 -2,-0.6 2,-0.2 -0.966 27.3-127.7-127.6 134.0 -0.5 -16.2 59.6 66 84 A N E -N 47 0C 17 -2,-0.4 25,-2.3 -19,-0.2 26,-0.3 -0.512 28.8-106.5 -82.1 150.2 1.1 -14.2 62.4 67 85 A A E -O 90 0C 19 -21,-2.6 23,-0.2 23,-0.2 -21,-0.2 -0.569 28.4-174.8 -74.6 132.5 3.8 -15.7 64.6 68 86 A A E S+ 0 0 60 21,-3.5 2,-0.3 1,-0.3 22,-0.2 0.743 73.4 17.6 -92.7 -40.0 2.7 -16.6 68.1 69 87 A K E -O 89 0C 79 20,-1.4 20,-2.4 2,-0.0 2,-0.5 -0.996 60.2-164.1-135.8 143.0 6.1 -17.5 69.5 70 88 A I E -O 88 0C 37 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.974 11.8-175.9-130.5 110.9 9.7 -16.8 68.3 71 89 A I E -O 87 0C 53 16,-3.2 16,-2.9 -2,-0.5 2,-0.3 -0.916 5.8-164.4-114.1 111.7 12.4 -18.9 69.8 72 90 A T E -O 86 0C 53 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.661 40.8 -88.6 -88.7 151.7 16.0 -18.2 68.9 73 91 A H > - 0 0 19 12,-2.3 3,-1.9 10,-0.3 -1,-0.1 -0.289 33.6-131.9 -57.5 134.4 18.6 -20.8 69.7 74 92 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.783 105.5 46.3 -63.0 -24.7 20.0 -20.3 73.3 75 93 A N T 3 S+ 0 0 109 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.212 76.7 140.1-103.4 15.0 23.6 -20.5 72.1 76 94 A F < - 0 0 63 -3,-1.9 2,-0.6 7,-0.1 7,-0.2 -0.391 39.7-153.9 -57.9 133.6 23.3 -18.2 69.0 77 95 A N > - 0 0 70 5,-2.1 4,-2.6 1,-0.1 5,-0.5 -0.957 9.8-160.0-118.8 113.8 26.4 -16.1 68.9 78 96 A G T 4 S+ 0 0 57 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.690 89.8 51.2 -65.1 -20.6 26.0 -12.8 67.2 79 97 A N T 4 S+ 0 0 141 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.928 124.6 22.6 -83.2 -49.9 29.7 -12.4 66.6 80 98 A T T 4 S- 0 0 61 2,-0.1 -2,-0.2 76,-0.0 77,-0.1 0.614 94.6-130.5 -92.4 -15.8 30.5 -15.7 65.0 81 99 A L >< + 0 0 38 -4,-2.6 3,-1.0 1,-0.3 -3,-0.2 0.592 50.0 159.8 69.7 18.2 27.0 -16.5 63.8 82 100 A D T 3 + 0 0 33 -5,-0.5 -5,-2.1 1,-0.3 -1,-0.3 -0.438 65.1 17.1 -68.3 140.2 27.3 -20.0 65.4 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.859 77.5 175.2 66.2 40.7 23.9 -21.6 66.0 84 102 A D < + 0 0 0 -3,-1.0 2,-0.3 75,-0.2 -1,-0.2 -0.451 34.0 117.1 -80.5 80.9 22.1 -19.2 63.6 85 103 A I - 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