==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-SEP-01 1K1M . 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) . 9206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 61.0 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 . 67 30.0 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 . 18 8.1 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 . 2 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,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 121.1 -3.6 9.0 11.0 2 17 A V B +A 171 0A 7 169,-3.1 169,-1.8 1,-0.2 123,-0.1 -0.857 360.0 6.1 -98.7 132.8 -7.3 10.0 11.3 3 18 A G S S+ 0 0 44 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.693 102.8 123.9 71.1 19.4 -8.4 12.9 9.1 4 19 A G - 0 0 33 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.053 53.1-121.4 -94.1-159.1 -5.1 13.1 7.3 5 20 A Y E -B 137 0B 99 132,-2.3 132,-3.3 -3,-0.1 2,-0.4 -0.945 34.1 -83.9-143.6 160.4 -4.1 13.0 3.7 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.555 37.1-152.5 -68.1 120.8 -1.9 10.9 1.4 7 22 A a - 0 0 19 128,-2.1 -1,-0.2 -2,-0.4 129,-0.1 0.917 35.7-112.4 -61.3 -49.1 1.6 12.4 1.8 8 23 A G > - 0 0 26 127,-0.4 3,-2.1 -3,-0.1 4,-0.3 -0.020 48.5 -53.7 116.6 136.4 3.0 11.5 -1.6 9 24 A A T 3 S- 0 0 59 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.103 119.3 -13.5 -45.7 120.5 5.7 8.9 -2.3 10 25 A N T 3 S+ 0 0 37 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.700 89.6 130.7 59.7 26.1 8.9 9.7 -0.3 11 26 A T S < S+ 0 0 83 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.649 76.1 46.9 -81.6 -14.1 7.8 13.2 0.7 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-2.1 87,-0.1 -1,-0.3 -0.675 74.0 174.5-124.7 72.2 8.7 12.5 4.3 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.547 73.7 57.8 -57.5 -15.3 12.2 10.9 3.7 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.439 79.4 115.1 -96.9 -2.2 13.0 10.5 7.4 15 30 A Q E < -J 28 0C 4 -3,-2.1 37,-0.5 13,-0.2 36,-0.5 -0.539 48.0-166.3 -73.7 131.5 9.9 8.4 8.1 16 31 A V E -J 27 0C 0 11,-2.1 11,-1.1 -2,-0.3 2,-0.5 -0.885 13.7-147.0-121.7 145.5 10.7 4.9 9.2 17 32 A S E -JK 26 49C 0 32,-1.8 32,-2.8 -2,-0.3 2,-0.6 -0.963 11.9-145.5-112.2 127.5 8.5 1.8 9.5 18 33 A L E -JK 25 48C 0 7,-3.3 6,-2.4 -2,-0.5 7,-1.0 -0.870 27.4-171.3 -94.4 120.9 9.3 -0.7 12.3 19 34 A N E +JK 23 47C 16 28,-3.0 28,-2.6 -2,-0.6 4,-0.2 -0.928 33.8 164.3-122.7 142.1 8.5 -4.2 11.0 20 37 A S S S- 0 0 33 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.357 97.0 -46.1-144.4 53.0 8.3 -7.7 12.4 21 38 A G S S+ 0 0 74 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.418 140.1 27.0 92.5 0.4 6.4 -9.5 9.7 22 39 A Y S S- 0 0 131 -4,-0.0 -2,-2.3 0, 0.0 2,-0.4 -0.911 101.3 -81.5-177.6 162.4 4.0 -6.5 9.6 23 40 A H E +J 19 0C 29 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.698 48.7 157.9 -80.7 127.9 4.2 -2.8 10.5 24 41 A F E + 0 0 29 -6,-2.4 2,-0.3 -2,-0.4 151,-0.3 0.592 61.0 3.2-124.2 -18.6 3.8 -2.1 14.2 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.3 151,-0.1 -1,-0.4 -0.980 59.8-127.5-160.8 165.5 5.3 1.4 14.8 26 43 A G E +J 17 0C 1 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.491 24.7 177.4-108.5-176.5 7.0 4.3 13.1 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.1 -2,-0.2 2,-0.4 -0.962 24.8-112.2-171.7 177.0 10.2 6.1 13.8 28 45 A S E -JL 15 36C 1 8,-2.4 8,-2.9 -2,-0.3 2,-0.6 -0.996 19.3-131.5-133.1 131.1 12.5 8.9 12.6 29 46 A L E + L 0 35C 0 -15,-2.2 74,-2.7 -2,-0.4 6,-0.2 -0.723 26.7 173.8 -78.8 117.8 15.9 8.6 11.0 30 47 A I E - 0 0 19 4,-2.5 2,-0.3 -2,-0.6 75,-0.2 0.500 69.3 -8.9-102.2 -10.9 18.2 11.1 12.9 31 48 A N E > S- L 0 34C 48 3,-1.1 3,-1.2 70,-0.1 -1,-0.4 -0.925 91.3 -75.4-171.8 167.7 21.4 10.0 11.2 32 49 A S T 3 S+ 0 0 48 -2,-0.3 62,-3.5 1,-0.2 60,-0.1 0.627 128.6 23.8 -50.1 -17.5 22.6 7.2 8.9 33 50 A Q T 3 S+ 0 0 58 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.395 109.4 75.4-133.4 6.4 22.7 4.6 11.6 34 51 A W E < -LM 31 89C 11 -3,-1.2 -4,-2.5 55,-0.2 -3,-1.1 -0.973 48.2-172.4-131.6 132.4 20.2 5.8 14.3 35 52 A V E -LM 29 88C 0 53,-2.5 53,-3.2 -2,-0.4 2,-0.4 -0.931 13.6-147.9-118.6 137.8 16.4 5.8 14.5 36 53 A V E +LM 28 87C 0 -8,-2.9 -8,-2.4 -2,-0.4 51,-0.2 -0.908 33.0 145.4-108.2 133.2 14.4 7.5 17.2 37 54 A S E - M 0 86C 0 49,-3.0 49,-2.4 -2,-0.4 2,-0.4 -0.711 49.0 -65.5-144.7-164.3 11.1 5.9 18.2 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.784 30.8-133.5 -99.2 142.1 8.8 5.4 21.2 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.842 106.4 63.1 -60.6 -33.0 9.8 3.1 24.2 40 57 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.532 93.8 63.8 -71.5 -3.1 6.4 1.5 24.1 41 58 A b G < S+ 0 0 5 -3,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.410 74.2 134.7 -95.7 -2.4 7.2 0.2 20.6 42 59 A Y < + 0 0 132 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.259 21.9 145.9 -54.3 131.1 10.1 -1.9 22.0 43 60 A K - 0 0 54 -2,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.968 45.3-114.1-161.9 151.6 10.2 -5.4 20.6 44 61 A S S S+ 0 0 95 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.587 94.4 40.8 -88.3 158.3 12.8 -7.9 19.7 45 62 A G S S+ 0 0 67 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.925 78.3 172.5 70.9 46.3 13.3 -8.9 16.1 46 63 A I - 0 0 11 -3,-0.3 21,-2.2 21,-0.1 2,-0.5 -0.748 19.2-167.9 -94.3 129.0 12.9 -5.5 14.6 47 64 A Q E -KN 19 66C 52 -28,-2.6 -28,-3.0 -2,-0.4 2,-0.5 -0.960 15.7-143.2-112.8 131.4 13.6 -4.7 11.0 48 65 A V E -KN 18 65C 0 17,-3.4 17,-2.5 -2,-0.5 2,-0.6 -0.860 10.4-157.5 -98.2 126.2 13.7 -1.0 10.1 49 66 A R E -KN 17 64C 49 -32,-2.8 -32,-1.8 -2,-0.5 3,-0.3 -0.923 12.1-175.3-111.5 111.2 12.2 -0.1 6.7 50 67 A L E + N 0 63C 0 13,-2.7 13,-1.5 -2,-0.6 -34,-0.1 -0.619 62.7 30.6 -98.2 159.8 13.5 3.1 5.1 51 69 A G S S+ 0 0 6 -36,-0.5 2,-0.3 -38,-0.3 -1,-0.2 0.799 85.2 159.1 64.4 30.4 12.3 4.8 1.9 52 70 A E + 0 0 10 -37,-0.5 -42,-0.3 -3,-0.3 -1,-0.2 -0.602 22.5 144.2 -94.2 147.7 8.8 3.4 2.3 53 71 A D S S+ 0 0 17 1,-0.4 2,-0.8 -2,-0.3 -1,-0.1 0.283 80.4 33.0-133.5 -83.8 5.5 4.6 0.8 54 72 A N S S- 0 0 27 80,-0.2 3,-0.5 1,-0.2 -1,-0.4 -0.717 72.4-163.1 -80.6 111.5 3.3 1.6 0.1 55 73 A I S S+ 0 0 31 78,-2.5 -1,-0.2 -2,-0.8 79,-0.1 0.577 83.9 53.1 -74.3 -7.5 4.3 -0.8 2.9 56 74 A N S S+ 0 0 116 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.619 104.0 57.6-102.2 -14.1 2.8 -3.8 1.1 57 75 A V S S- 0 0 75 -3,-0.5 2,-1.0 76,-0.2 -4,-0.2 -0.915 74.8-130.5-121.3 140.9 4.6 -3.5 -2.3 58 76 A V + 0 0 119 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.827 40.6 158.3 -88.2 106.0 8.2 -3.4 -3.2 59 77 A E - 0 0 100 -2,-1.0 -1,-0.2 1,-0.3 2,-0.1 0.502 55.4 -94.4-105.4 -12.0 8.3 -0.3 -5.5 60 78 A G S S+ 0 0 32 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.222 98.8 70.8 109.4 156.3 11.9 0.6 -5.3 61 79 A N S S+ 0 0 74 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.219 70.4 129.4 84.0 -8.4 13.8 3.0 -3.0 62 80 A E - 0 0 35 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.357 38.8-167.1 -77.3 157.1 13.3 0.8 0.1 63 81 A Q E -N 50 0C 38 -13,-1.5 -13,-2.7 -3,-0.1 2,-0.6 -0.965 4.8-159.9-145.1 117.9 16.2 -0.2 2.4 64 82 A F E +N 49 0C 87 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.933 18.4 170.5-105.1 116.3 15.6 -3.0 4.9 65 83 A I E -N 48 0C 16 -17,-2.5 -17,-3.4 -2,-0.6 2,-0.1 -0.976 29.3-125.9-128.5 136.9 18.1 -3.0 7.8 66 84 A S E -N 47 0C 55 -2,-0.4 25,-2.7 -19,-0.2 2,-0.4 -0.490 28.7-112.6 -77.4 151.4 18.0 -5.0 11.0 67 85 A A E -O 90 0C 20 -21,-2.2 23,-0.3 23,-0.2 -21,-0.1 -0.719 22.3-165.6 -82.9 129.8 18.2 -3.3 14.3 68 86 A S E S- 0 0 53 21,-3.2 2,-0.3 -2,-0.4 22,-0.2 0.815 73.3 -3.5 -84.0 -33.7 21.5 -4.1 16.1 69 87 A K E -O 89 0C 86 20,-1.2 20,-2.8 2,-0.0 2,-0.5 -0.979 56.7-148.7-159.5 145.3 20.3 -2.7 19.4 70 88 A S E -O 88 0C 33 -2,-0.3 2,-0.8 18,-0.2 18,-0.2 -0.978 12.6-161.4-119.9 119.3 17.2 -1.0 20.9 71 89 A I E -O 87 0C 33 16,-3.3 16,-2.3 -2,-0.5 2,-0.3 -0.860 5.1-164.1-106.2 98.9 17.9 1.4 23.8 72 90 A V E -O 86 0C 46 -2,-0.8 14,-0.2 14,-0.2 12,-0.1 -0.607 39.8 -94.5 -78.2 139.1 14.7 2.2 25.8 73 91 A H > - 0 0 24 12,-2.2 3,-2.2 10,-0.3 -1,-0.1 -0.401 33.0-129.7 -56.9 127.0 15.1 5.2 28.0 74 92 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.730 104.9 47.1 -49.4 -32.4 16.1 3.9 31.5 75 93 A S T 3 S+ 0 0 79 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.137 79.2 138.7-101.0 20.2 13.4 5.9 33.3 76 94 A Y < - 0 0 57 -3,-2.2 2,-0.6 9,-0.1 7,-0.2 -0.437 39.4-155.2 -65.9 133.4 10.5 4.9 31.0 77 95 A N > - 0 0 66 5,-2.0 4,-2.7 -2,-0.2 5,-0.5 -0.949 7.1-159.7-115.7 113.9 7.3 4.2 32.9 78 96 A S T 4 S+ 0 0 82 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.660 91.1 50.1 -65.8 -18.0 4.9 1.8 31.0 79 97 A N T 4 S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.910 123.5 25.6 -86.6 -46.1 2.0 3.0 33.1 80 98 A T T 4 S- 0 0 69 2,-0.1 -2,-0.2 76,-0.0 77,-0.1 0.679 94.9-135.4 -89.7 -19.4 2.3 6.8 32.8 81 99 A L >< + 0 0 34 -4,-2.7 3,-0.8 1,-0.3 2,-0.2 0.692 48.1 158.3 68.7 20.9 4.2 6.6 29.4 82 100 A N T 3 + 0 0 34 -5,-0.5 -5,-2.0 1,-0.3 -1,-0.3 -0.547 63.8 19.0 -74.7 142.7 6.6 9.2 30.8 83 101 A N T 3 S+ 0 0 19 -7,-0.2 2,-2.2 1,-0.2 -10,-0.3 0.895 79.9 176.4 61.9 42.5 10.0 9.2 29.0 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.489 32.1 119.1 -80.0 75.3 8.4 7.4 26.1 85 103 A I + 0 0 0 -2,-2.2 -12,-2.2 -47,-0.3 2,-0.3 -1.000 36.0 179.6-144.9 138.9 11.5 7.4 23.9 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-3.0 -2,-0.3 2,-0.4 -0.996 15.6-147.1-140.5 142.8 13.7 4.7 22.4 87 105 A L E -MO 36 71C 0 -16,-2.3 -16,-3.3 -2,-0.3 2,-0.5 -0.914 11.8-160.0-110.7 136.7 16.9 4.8 20.2 88 106 A I E -MO 35 70C 0 -53,-3.2 -53,-2.5 -2,-0.4 2,-0.5 -0.975 5.1-151.7-120.8 126.6 17.5 2.1 17.6 89 107 A K E -MO 34 69C 47 -20,-2.8 -21,-3.2 -2,-0.5 -20,-1.2 -0.846 19.2-132.0 -96.5 129.7 21.0 1.4 16.2 90 108 A L E - 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