==== 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 HYDROLASE 10-MAY-02 1LQE . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR H.A.SCHREUDER,A.LIESUM . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9258.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 62.3 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 . 21 9.4 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 . 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 3 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 122.2 10.8 3.7 25.2 2 17 A V B +A 171 0A 11 169,-3.1 169,-1.8 1,-0.2 123,-0.1 -0.890 360.0 4.1-101.7 131.3 11.0 7.4 24.3 3 18 A G S S+ 0 0 45 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.744 103.0 121.2 69.7 24.8 8.8 8.5 21.4 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.147 55.5-115.1-101.2-159.1 7.1 5.1 21.0 5 20 A Y E -B 137 0B 95 132,-2.7 132,-3.6 -2,-0.1 2,-0.6 -0.906 33.4 -86.0-138.8 164.0 3.5 3.9 21.2 6 21 A T E -B 136 0B 70 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.613 37.1-151.5 -72.6 117.4 1.3 1.7 23.4 7 22 A a - 0 0 18 128,-1.8 -1,-0.2 -2,-0.6 129,-0.1 0.938 35.7-111.3 -54.6 -56.6 1.7 -1.8 21.9 8 23 A G > - 0 0 24 127,-0.4 3,-2.1 -3,-0.1 4,-0.3 -0.090 46.7 -58.8 123.7 136.2 -1.6 -3.2 22.9 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.163 118.9 -10.0 -50.7 120.6 -2.2 -5.9 25.5 10 25 A N T 3 S+ 0 0 33 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.700 91.1 127.0 63.7 25.6 -0.4 -9.1 24.7 11 26 A T S < S+ 0 0 84 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.546 75.7 47.9 -86.5 -7.8 0.6 -8.0 21.1 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.5 87,-0.1 -1,-0.3 -0.718 73.1 174.7-130.4 75.2 4.3 -8.8 21.9 13 28 A P T 3 S+ 0 0 34 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.553 72.5 57.4 -61.4 -15.0 3.8 -12.3 23.5 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.546 80.7 109.3 -94.7 -7.7 7.5 -13.1 23.8 15 30 A Q E < -J 28 0C 5 -3,-1.5 36,-0.5 13,-0.2 37,-0.4 -0.484 48.3-173.0 -72.4 127.8 8.2 -10.0 26.0 16 31 A V E -J 27 0C 0 11,-2.2 11,-1.1 -2,-0.3 2,-0.5 -0.853 18.4-137.6-120.5 157.0 8.9 -10.8 29.7 17 32 A S E -JK 26 49C 0 32,-2.1 32,-3.0 -2,-0.3 2,-0.6 -0.968 13.5-142.3-112.4 126.9 9.4 -8.5 32.7 18 33 A L E -JK 25 48C 0 7,-3.3 6,-2.6 -2,-0.5 7,-1.0 -0.850 28.9-169.8 -90.5 119.7 12.2 -9.3 35.1 19 34 A N E +JK 23 47C 15 28,-3.0 28,-2.6 -2,-0.6 4,-0.2 -0.938 34.0 163.3-121.0 137.3 10.9 -8.5 38.6 20 37 A S S S- 0 0 32 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.381 96.8 -48.0-139.1 51.3 12.5 -8.3 42.0 21 38 A G S S+ 0 0 72 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.383 139.8 30.8 94.4 -4.5 9.7 -6.4 43.8 22 39 A Y S S- 0 0 129 -4,-0.0 -2,-2.3 0, 0.0 2,-0.5 -0.920 101.9 -84.3-171.3 159.9 9.6 -4.0 40.9 23 40 A H E +J 19 0C 26 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.694 49.3 160.1 -76.9 123.7 10.3 -4.2 37.1 24 41 A F E + 0 0 26 -6,-2.6 2,-0.3 -2,-0.5 151,-0.2 0.617 59.3 1.0-120.4 -16.2 14.1 -3.8 36.5 25 42 A b E -J 18 0C 6 -7,-1.0 -7,-3.3 151,-0.1 -1,-0.4 -0.979 61.0-124.0-163.3 164.1 14.7 -5.3 33.0 26 43 A G E +J 17 0C 1 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.449 26.3 177.5-104.9-177.7 13.0 -6.9 30.0 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.2 -2,-0.2 2,-0.4 -0.965 24.4-113.1-170.7 176.6 13.7 -10.2 28.3 28 45 A S E -JL 15 36C 1 8,-2.2 8,-2.5 -2,-0.3 2,-0.6 -0.991 18.7-132.1-132.2 133.7 12.5 -12.5 25.6 29 46 A L E + L 0 35C 0 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.742 26.8 173.2 -83.8 117.5 11.0 -16.0 25.8 30 47 A I E - 0 0 20 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.484 68.0 -10.4-103.3 -8.4 12.8 -18.2 23.4 31 48 A N E > S- L 0 34C 48 3,-1.0 3,-0.6 70,-0.1 -1,-0.3 -0.931 90.6 -74.6-169.9 178.3 11.1 -21.5 24.5 32 49 A S T 3 S+ 0 0 41 -2,-0.3 62,-3.3 1,-0.2 60,-0.1 0.675 128.4 25.8 -61.7 -18.3 8.9 -22.8 27.3 33 50 A Q T 3 S+ 0 0 65 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.406 109.7 72.5-126.4 1.7 11.7 -22.8 29.8 34 51 A W E < -LM 31 89C 10 -3,-0.6 -4,-2.4 55,-0.2 -3,-1.0 -0.969 46.8-172.4-131.9 141.2 14.3 -20.2 28.7 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.8 -2,-0.4 2,-0.5 -0.925 14.1-146.9-124.7 143.1 14.5 -16.5 28.5 36 53 A V E +LM 28 87C 1 -8,-2.5 -8,-2.2 -2,-0.4 2,-0.2 -0.935 33.3 148.1-110.2 132.0 17.3 -14.4 26.9 37 54 A S E - M 0 86C 0 49,-3.1 49,-2.4 -2,-0.5 2,-0.3 -0.769 49.6 -67.5-144.8-170.0 18.1 -11.0 28.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.695 32.3-132.5 -90.5 145.1 21.1 -8.7 29.0 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.833 106.4 63.5 -63.4 -31.3 24.1 -9.8 31.2 40 57 A H G 3 S+ 0 0 52 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.543 91.4 66.1 -72.5 -4.1 24.0 -6.4 32.9 41 58 A b G < S+ 0 0 5 -3,-1.7 -1,-0.3 -15,-0.0 -2,-0.2 0.443 75.8 133.1 -92.7 -1.3 20.5 -7.2 34.2 42 59 A Y < + 0 0 122 -3,-1.7 2,-0.3 -4,-0.1 -3,-0.0 -0.215 19.3 132.2 -57.5 135.9 21.9 -10.0 36.4 43 60 A K - 0 0 57 0, 0.0 3,-0.3 0, 0.0 2,-0.2 -0.950 52.0 -99.7-170.8 161.8 20.8 -10.2 40.0 44 61 A S S S+ 0 0 97 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.496 96.5 39.8 -88.2 162.3 19.6 -12.9 42.4 45 62 A G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.923 75.0 170.7 67.2 45.7 16.0 -13.4 43.3 46 63 A I - 0 0 9 -3,-0.3 21,-2.2 21,-0.1 2,-0.5 -0.766 19.1-165.0 -93.5 128.3 14.6 -12.8 39.8 47 64 A Q E -KN 19 66C 51 -28,-2.6 -28,-3.0 -2,-0.4 2,-0.5 -0.974 15.2-142.3-111.7 123.5 10.9 -13.5 39.1 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.9 -2,-0.5 2,-0.6 -0.796 12.1-157.0 -88.4 125.0 10.1 -13.7 35.4 49 66 A R E -KN 17 64C 49 -32,-3.0 -32,-2.1 -2,-0.5 3,-0.3 -0.917 13.1-176.6-110.2 114.0 6.7 -12.2 34.6 50 67 A L E + N 0 63C 2 13,-2.8 13,-1.9 -2,-0.6 -34,-0.1 -0.669 60.8 29.3-104.0 157.9 5.1 -13.4 31.4 51 69 A G S S+ 0 0 5 -36,-0.5 2,-0.2 -38,-0.3 -1,-0.2 0.675 85.1 156.0 67.4 23.7 1.8 -12.3 29.7 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.504 22.7 149.9 -87.5 145.0 2.1 -8.9 31.1 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.8 4,-0.2 82,-0.4 0.406 80.1 32.9-126.8 -74.5 0.7 -5.6 29.8 54 72 A N S > S- 0 0 28 80,-0.2 3,-1.1 3,-0.2 -1,-0.4 -0.789 72.8-161.7 -86.7 110.2 0.1 -3.3 32.9 55 73 A I T 3 S+ 0 0 29 78,-2.7 -1,-0.1 -2,-0.8 79,-0.1 0.603 84.9 53.4 -71.9 -7.8 2.9 -4.3 35.2 56 74 A N T 3 S+ 0 0 111 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.432 105.6 54.9-105.2 -1.3 1.2 -2.8 38.2 57 75 A V S < S- 0 0 78 -3,-1.1 2,-0.8 76,-0.2 -4,-0.2 -0.989 75.0-129.2-135.3 140.4 -2.2 -4.6 38.0 58 76 A V + 0 0 116 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.822 40.2 158.5 -86.1 115.2 -3.2 -8.3 37.8 59 77 A E - 0 0 98 -2,-0.8 -1,-0.2 1,-0.3 2,-0.1 0.548 56.4 -86.5-114.6 -13.1 -5.5 -8.3 34.7 60 78 A G S S+ 0 0 33 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.271 102.6 63.8 115.2 152.5 -5.4 -11.9 33.7 61 79 A N S S+ 0 0 69 1,-0.3 -9,-0.1 -2,-0.1 2,-0.1 0.188 70.4 130.2 85.4 -14.0 -2.9 -13.8 31.4 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 -11,-0.0 -1,-0.3 -0.379 36.9-169.7 -72.3 149.2 0.1 -13.2 33.7 63 81 A Q E -N 50 0C 40 -13,-1.9 -13,-2.8 -3,-0.1 2,-0.6 -0.972 6.7-159.0-139.2 118.2 2.3 -16.1 34.7 64 82 A F E +N 49 0C 86 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.941 18.7 173.8-101.9 116.9 4.9 -15.4 37.4 65 83 A I E -N 48 0C 12 -17,-2.9 -17,-3.2 -2,-0.6 2,-0.1 -0.986 27.7-125.3-129.6 132.9 7.7 -18.0 37.4 66 84 A S E -N 47 0C 56 -2,-0.4 25,-3.0 -19,-0.2 26,-0.3 -0.450 29.1-112.0 -73.2 146.1 10.9 -18.0 39.4 67 85 A A E -O 90 0C 26 -21,-2.2 23,-0.3 23,-0.2 3,-0.1 -0.608 25.1-168.4 -76.5 135.2 14.2 -18.1 37.7 68 86 A S E S- 0 0 72 21,-3.9 2,-0.3 1,-0.4 22,-0.2 0.834 72.7 -0.7 -89.5 -46.5 16.0 -21.4 38.3 69 87 A K E -O 89 0C 80 20,-1.2 20,-3.0 2,-0.0 2,-0.5 -0.989 58.7-153.8-144.0 145.3 19.4 -20.5 36.9 70 88 A S E -O 88 0C 36 -2,-0.3 2,-0.8 18,-0.2 18,-0.2 -0.995 13.4-161.8-122.1 117.4 20.8 -17.2 35.4 71 89 A I E -O 87 0C 33 16,-3.6 16,-2.1 -2,-0.5 2,-0.2 -0.847 2.7-163.2-107.4 96.1 23.7 -17.9 33.0 72 90 A V E -O 86 0C 48 -2,-0.8 14,-0.2 14,-0.2 12,-0.1 -0.560 39.4 -94.3 -73.2 139.7 25.7 -14.8 32.3 73 91 A H > - 0 0 23 12,-2.1 3,-2.3 10,-0.3 -1,-0.1 -0.369 32.7-129.4 -56.3 129.0 27.9 -15.1 29.3 74 92 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.724 106.1 46.2 -52.8 -28.0 31.4 -16.2 30.5 75 93 A S T 3 S+ 0 0 75 8,-0.1 -2,-0.1 2,-0.1 2,-0.1 0.195 78.9 139.0-103.4 15.8 33.2 -13.5 28.6 76 94 A Y < - 0 0 57 -3,-2.3 2,-0.6 7,-0.1 7,-0.2 -0.381 38.4-156.4 -61.9 132.4 30.8 -10.6 29.6 77 95 A N > - 0 0 66 5,-2.3 4,-2.7 1,-0.1 5,-0.5 -0.949 7.3-160.7-116.4 115.0 32.8 -7.4 30.3 78 96 A S T 4 S+ 0 0 80 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.593 89.4 49.4 -69.1 -14.6 30.9 -5.0 32.6 79 97 A N T 4 S+ 0 0 150 3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.846 124.7 26.0 -92.6 -37.6 33.0 -2.0 31.5 80 98 A T T 4 S- 0 0 70 2,-0.1 -2,-0.2 -3,-0.0 77,-0.1 0.655 94.8-136.0 -95.7 -19.3 32.8 -2.4 27.8 81 99 A L >< + 0 0 31 -4,-2.7 3,-0.9 1,-0.3 2,-0.2 0.650 47.4 158.4 68.2 18.1 29.5 -4.2 27.8 82 100 A N T 3 + 0 0 35 -5,-0.5 -5,-2.3 1,-0.3 -1,-0.3 -0.535 65.3 18.5 -72.8 137.1 30.9 -6.6 25.3 83 101 A N T 3 S+ 0 0 19 -7,-0.2 2,-2.4 1,-0.2 -10,-0.3 0.856 78.8 175.4 68.7 39.1 29.0 -10.0 25.3 84 102 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.443 33.4 116.7 -78.3 74.4 26.0 -8.4 27.1 85 103 A I + 0 0 0 -2,-2.4 -12,-2.1 -47,-0.3 2,-0.3 -0.995 36.7 179.3-144.8 144.5 23.9 -11.5 27.0 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-3.1 -2,-0.3 2,-0.4 -0.995 16.2-147.3-148.4 139.8 22.3 -13.8 29.7 87 105 A L E -MO 36 71C 0 -16,-2.1 -16,-3.6 -2,-0.3 2,-0.4 -0.867 12.6-160.6-105.9 142.2 20.1 -16.9 29.6 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.5 -2,-0.4 2,-0.5 -0.995 6.2-150.2-126.5 125.3 17.6 -17.5 32.4 89 107 A K E -MO 34 69C 44 -20,-3.0 -21,-3.9 -2,-0.4 -20,-1.2 -0.853 20.0-130.0 -93.7 131.5 16.2 -21.0 33.0 90 108 A L E - 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