==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 16-MAY-97 1MTW . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.T.STUBBS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9376.0 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 . 69 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 . 4 1.8 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 . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.5 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 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 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 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 126.5 35.4 20.8 17.4 2 17 A V B +A 171 0A 10 169,-3.1 169,-1.8 1,-0.2 123,-0.1 -0.877 360.0 4.1-103.6 130.9 37.6 20.0 14.4 3 18 A G S S+ 0 0 45 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.723 102.4 122.2 71.7 23.3 39.3 22.8 12.5 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.088 56.0-115.5 -99.3-160.3 38.2 25.4 14.9 5 20 A Y E -B 137 0B 104 132,-2.4 132,-3.3 -3,-0.1 2,-0.4 -0.936 35.1 -87.2-138.7 158.3 40.0 28.0 17.1 6 21 A T E -B 136 0B 69 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.567 36.8-150.0 -68.0 121.7 40.4 28.6 20.8 7 22 A a - 0 0 17 128,-2.0 -1,-0.2 -2,-0.4 129,-0.1 0.921 34.0-115.9 -59.1 -50.3 37.4 30.8 21.8 8 23 A G > - 0 0 25 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.055 47.5 -52.7 114.4 139.5 39.0 32.6 24.7 9 24 A A T 3 S- 0 0 52 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.201 119.0 -14.0 -50.2 121.0 38.0 32.5 28.3 10 25 A N T 3 S+ 0 0 25 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.676 89.8 128.4 57.5 29.5 34.2 33.2 28.8 11 26 A T S < S+ 0 0 84 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.621 77.5 47.5 -84.4 -13.2 33.7 34.6 25.3 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-2.0 87,-0.1 -1,-0.3 -0.663 75.4 175.0-125.1 73.0 30.7 32.2 24.9 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.579 72.1 57.2 -58.5 -16.9 29.0 32.9 28.3 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.3 88,-0.1 2,-0.2 0.504 80.5 113.2 -92.7 -7.2 26.0 30.7 27.7 15 30 A Q E < -J 28 0C 6 -3,-2.0 36,-0.4 13,-0.2 37,-0.4 -0.477 47.0-171.4 -70.7 129.6 28.1 27.5 27.1 16 31 A V E -J 27 0C 0 11,-2.6 11,-1.1 -2,-0.2 2,-0.5 -0.838 17.7-144.5-121.2 156.7 27.7 24.8 29.7 17 32 A S E -JK 26 49C 0 32,-1.8 32,-2.8 -2,-0.3 2,-0.5 -0.991 15.1-143.8-117.7 125.8 29.6 21.6 30.4 18 33 A L E -JK 25 48C 0 7,-3.3 6,-2.5 -2,-0.5 7,-1.0 -0.859 23.1-165.1 -92.3 128.6 27.5 18.7 31.7 19 34 A N E +JK 23 47C 21 28,-3.1 28,-2.4 -2,-0.5 4,-0.2 -0.962 30.9 166.4-125.0 130.2 29.6 16.7 34.1 20 37 A S S S- 0 0 31 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.337 96.5 -46.8-129.6 48.2 29.1 13.2 35.6 21 38 A G S S+ 0 0 72 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.065 140.9 26.0 104.8 -16.8 32.6 12.7 37.1 22 39 A Y S S- 0 0 133 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.950 103.7 -79.5-164.9 160.4 33.9 14.0 33.8 23 40 A H E +J 19 0C 33 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.555 51.6 158.2 -70.3 131.1 32.7 16.2 30.9 24 41 A F E + 0 0 32 -6,-2.5 2,-0.3 1,-0.4 151,-0.2 0.563 58.4 5.0-130.2 -14.2 30.4 14.3 28.6 25 42 A b E -J 18 0C 6 -7,-1.0 -7,-3.3 151,-0.1 -1,-0.4 -0.981 60.9-124.6-164.2 162.5 28.2 16.9 26.8 26 43 A G E +J 17 0C 1 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.482 26.5 176.5-104.1-179.5 27.7 20.6 26.3 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.6 -2,-0.2 2,-0.4 -0.959 25.1-113.6-172.1 171.9 24.5 22.6 26.7 28 45 A S E -JL 15 36C 1 8,-2.5 8,-2.7 -2,-0.3 2,-0.6 -0.983 20.4-129.2-127.1 134.7 23.2 26.2 26.6 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.4 -2,-0.4 6,-0.2 -0.702 27.0 174.4 -80.1 119.0 22.0 28.3 29.4 30 47 A I E - 0 0 19 4,-2.1 2,-0.3 -2,-0.6 5,-0.2 0.651 67.1 -15.5-100.2 -18.0 18.6 29.8 28.4 31 48 A N E > S- L 0 34C 46 3,-1.1 3,-0.6 70,-0.1 -1,-0.3 -0.927 88.6 -72.9-165.8 179.7 17.7 31.5 31.8 32 49 A S T 3 S+ 0 0 41 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.654 128.1 27.3 -62.8 -16.3 18.9 31.4 35.4 33 50 A Q T 3 S+ 0 0 77 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.427 110.3 72.8-125.0 0.7 17.4 28.0 36.2 34 51 A W E < -LM 31 89C 4 -3,-0.6 -4,-2.1 55,-0.2 -3,-1.1 -0.958 47.2-172.8-129.9 143.0 17.3 26.1 32.9 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.5 -2,-0.4 2,-0.4 -0.952 13.1-149.1-127.1 139.1 19.7 24.5 30.5 36 53 A V E +LM 28 87C 1 -8,-2.7 -8,-2.5 -2,-0.4 2,-0.2 -0.932 30.9 146.9-109.9 132.3 19.0 23.1 27.0 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.5 -2,-0.4 2,-0.3 -0.781 50.4 -68.0-146.5-173.8 21.0 20.1 25.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.659 33.7-131.1 -86.5 143.1 20.5 17.0 23.4 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.837 107.9 64.9 -59.9 -32.5 18.3 14.2 24.5 40 57 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.642 93.3 63.2 -68.2 -8.1 21.1 11.7 23.7 41 58 A b G < S+ 0 0 3 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.435 75.9 134.3 -91.4 -2.7 23.1 13.4 26.5 42 59 A Y < + 0 0 133 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.238 21.8 145.7 -54.8 133.7 20.5 12.2 29.1 43 60 A K - 0 0 73 3,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.956 45.5-112.5-160.0 160.2 22.0 10.8 32.2 44 61 A S S S+ 0 0 95 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.655 95.2 34.3 -97.4 157.3 21.2 10.7 35.9 45 62 A G S S+ 0 0 72 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.957 79.1 171.8 65.0 50.7 23.3 12.5 38.4 46 63 A I - 0 0 10 -3,-0.3 21,-2.1 21,-0.1 2,-0.5 -0.789 20.6-161.9 -96.6 134.2 24.3 15.4 36.2 47 64 A Q E -KN 19 66C 51 -28,-2.4 -28,-3.1 -2,-0.4 2,-0.5 -0.977 15.1-140.4-114.1 128.6 26.2 18.4 37.5 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.7 -2,-0.5 2,-0.6 -0.791 12.1-157.1 -91.6 127.3 26.0 21.5 35.3 49 66 A R E -KN 17 64C 53 -32,-2.8 -32,-1.8 -2,-0.5 3,-0.3 -0.922 14.3-177.9-112.9 110.9 29.2 23.5 35.0 50 67 A L E + N 0 63C 1 13,-2.9 13,-1.7 -2,-0.6 -34,-0.1 -0.645 59.9 30.6-102.9 162.2 28.9 27.2 34.1 51 69 A G S S+ 0 0 7 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.745 85.3 155.7 62.5 27.4 31.5 29.9 33.5 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.565 23.0 149.8 -90.1 145.1 34.0 27.3 32.3 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.7 4,-0.3 82,-0.4 0.391 80.6 30.7-127.9 -73.7 37.0 27.6 30.0 54 72 A N S > S- 0 0 28 3,-0.2 3,-0.8 80,-0.2 -1,-0.4 -0.838 72.7-159.6 -90.0 115.1 39.6 25.0 31.0 55 73 A I T 3 S+ 0 0 29 78,-2.6 -1,-0.1 -2,-0.7 79,-0.1 0.553 86.4 51.3 -74.5 -5.5 37.5 22.1 32.3 56 74 A N T 3 S+ 0 0 122 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.437 104.5 60.3-108.5 -3.0 40.4 20.6 34.3 57 75 A V S < S- 0 0 74 -3,-0.8 2,-0.8 76,-0.2 -4,-0.3 -0.988 78.3-128.1-130.0 132.6 41.6 23.7 36.2 58 76 A V + 0 0 118 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.719 33.1 172.0 -79.2 111.7 39.6 25.9 38.6 59 77 A E - 0 0 97 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.515 49.2-104.5-100.4 -9.6 40.1 29.4 37.2 60 78 A G S S+ 0 0 59 0, 0.0 -2,-0.1 0, 0.0 -8,-0.1 0.215 100.3 79.4 110.9 -17.7 37.7 31.3 39.4 61 79 A N + 0 0 65 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.314 66.5 120.1-109.2 14.4 34.5 32.1 37.3 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.352 41.6-166.9 -81.6 154.8 32.8 28.7 37.6 63 81 A Q E -N 50 0C 37 -13,-1.7 -13,-2.9 -2,-0.1 2,-0.7 -0.975 7.6-162.5-138.9 113.1 29.4 27.8 39.1 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.925 17.3 173.5-102.1 113.9 28.8 24.1 39.6 65 83 A I E -N 48 0C 11 -17,-2.7 -17,-3.2 -2,-0.7 2,-0.1 -0.984 25.5-132.3-127.5 128.2 25.1 23.4 40.1 66 84 A S E -N 47 0C 52 -2,-0.4 25,-3.1 -19,-0.3 26,-0.3 -0.455 27.5-111.8 -75.1 148.6 23.4 20.0 40.3 67 85 A A E -O 90 0C 19 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.628 22.7-170.1 -82.2 137.7 20.3 19.3 38.2 68 86 A S E S+ 0 0 64 21,-2.9 2,-0.3 1,-0.3 22,-0.2 0.697 73.7 6.8 -96.8 -24.9 17.0 18.9 40.1 69 87 A K E -O 89 0C 92 20,-1.3 20,-3.1 2,-0.0 2,-0.4 -0.979 58.3-157.1-159.2 142.8 15.1 17.5 37.1 70 88 A S E -O 88 0C 42 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.975 7.4-166.4-124.2 137.0 15.7 16.4 33.5 71 89 A I E -O 87 0C 36 16,-3.1 16,-2.5 -2,-0.4 2,-0.3 -0.931 4.4-160.6-128.5 105.4 13.0 16.4 30.8 72 90 A V E -O 86 0C 48 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.626 42.9 -89.8 -81.1 142.1 13.6 14.6 27.5 73 91 A H > - 0 0 22 12,-2.1 3,-2.2 10,-0.3 -1,-0.1 -0.314 35.5-122.4 -52.2 134.9 11.4 15.7 24.7 74 92 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.770 109.1 41.1 -52.1 -31.2 8.2 13.5 24.7 75 93 A S T 3 S+ 0 0 74 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.151 78.4 143.8-106.9 21.4 8.8 12.3 21.1 76 94 A Y < - 0 0 56 -3,-2.2 2,-0.6 9,-0.1 7,-0.2 -0.369 33.2-160.5 -61.6 133.6 12.5 11.8 21.2 77 95 A N > - 0 0 67 5,-2.1 4,-2.3 1,-0.1 5,-0.5 -0.966 6.8-164.2-118.8 109.3 13.5 8.8 19.1 78 96 A S T 4 S+ 0 0 77 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.727 86.8 56.3 -67.6 -20.1 16.9 7.4 20.1 79 97 A N T 4 S+ 0 0 148 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.842 123.8 20.4 -79.5 -37.1 17.2 5.4 16.9 80 98 A T T 4 S- 0 0 74 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.572 97.1-129.6-104.9 -15.9 16.8 8.2 14.4 81 99 A L >< + 0 0 31 -4,-2.3 3,-0.9 1,-0.3 2,-0.2 0.626 49.8 159.6 72.2 16.1 17.7 11.1 16.8 82 100 A N T 3 + 0 0 36 -5,-0.5 -5,-2.1 1,-0.3 -1,-0.3 -0.516 67.4 16.5 -69.4 136.5 14.5 12.9 15.8 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.901 80.2 177.7 65.7 45.1 13.5 15.5 18.5 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.517 34.8 113.8 -80.9 77.2 17.0 15.3 20.0 85 103 A I + 0 0 0 -2,-2.1 -12,-2.1 -47,-0.3 2,-0.3 -0.995 37.3 178.5-149.2 146.3 16.4 17.9 22.7 86 104 A M E -MO 37 72C 0 -49,-2.5 -49,-2.7 -2,-0.3 2,-0.4 -0.993 17.6-142.4-150.1 145.0 16.2 17.9 26.5 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-3.1 -2,-0.3 2,-0.4 -0.880 13.0-163.6-109.9 143.0 15.7 20.5 29.2 88 106 A I E -MO 35 70C 0 -53,-2.5 -53,-2.5 -2,-0.4 2,-0.4 -0.993 7.8-149.4-129.2 125.0 17.5 20.4 32.6 89 107 A K E -MO 34 69C 43 -20,-3.1 -21,-2.9 -2,-0.4 -20,-1.3 -0.810 17.7-130.9 -97.2 133.4 16.4 22.3 35.6 90 108 A L E - 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