==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 24-AUG-99 1QL7 . 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) . 8967.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 63.2 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 . 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 . 19 8.5 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 . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 2 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 129.9 34.8 19.8 16.9 2 17 A V B +A 171 0A 7 169,-3.3 169,-1.7 1,-0.2 123,-0.1 -0.850 360.0 4.7-102.4 136.2 36.9 18.8 14.0 3 18 A G S S+ 0 0 43 121,-0.6 -1,-0.2 -2,-0.4 167,-0.1 0.716 103.4 125.0 66.3 19.8 38.7 21.6 12.1 4 19 A G - 0 0 31 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.095 54.7-121.4 -92.8-161.9 37.4 24.1 14.5 5 20 A Y E -B 137 0B 104 132,-2.6 132,-3.2 -3,-0.1 2,-0.5 -0.885 35.5 -82.6-138.5 165.5 39.4 26.7 16.6 6 21 A T E -B 136 0B 70 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.633 37.3-151.0 -73.3 121.4 39.7 27.4 20.3 7 22 A a - 0 0 17 128,-2.2 -1,-0.2 -2,-0.5 129,-0.1 0.899 35.6-117.0 -58.2 -48.3 36.7 29.5 21.2 8 23 A G > - 0 0 25 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.048 46.4 -52.5 113.8 144.4 38.4 31.4 24.0 9 24 A A T 3 S- 0 0 47 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.235 119.1 -14.2 -55.0 123.3 37.4 31.2 27.7 10 25 A N T 3 S+ 0 0 18 42,-0.4 -1,-0.3 2,-0.2 43,-0.1 0.619 91.7 126.6 58.0 22.5 33.7 32.0 28.2 11 26 A T S < S+ 0 0 83 -3,-1.8 -1,-0.1 1,-0.3 -2,-0.1 0.573 78.7 46.9 -81.0 -10.1 33.2 33.4 24.7 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-2.0 87,-0.1 -1,-0.3 -0.643 76.4 173.4-127.8 69.2 30.3 30.9 24.4 13 28 A P T 3 S+ 0 0 28 0, 0.0 88,-1.8 0, 0.0 38,-0.4 0.569 72.6 56.9 -56.4 -17.0 28.7 31.7 27.8 14 29 A Y T 3 S+ 0 0 19 86,-0.2 15,-2.3 88,-0.1 2,-0.2 0.526 79.8 111.3 -93.3 -10.7 25.6 29.5 27.1 15 30 A Q E < -J 28 0C 4 -3,-2.0 36,-0.5 13,-0.2 37,-0.4 -0.468 49.3-171.0 -66.5 128.9 27.7 26.4 26.5 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.0 -2,-0.2 2,-0.5 -0.896 18.8-139.5-122.2 152.9 27.2 23.8 29.3 17 32 A S E -JK 26 49C 0 32,-2.5 32,-2.9 -2,-0.3 2,-0.7 -0.974 13.9-144.5-110.9 120.1 29.1 20.6 29.9 18 33 A L E -JK 25 48C 0 7,-3.2 6,-2.5 -2,-0.5 7,-1.1 -0.823 26.8-168.0 -84.4 120.3 26.9 17.8 31.0 19 34 A N E +JK 23 47C 19 28,-3.1 28,-2.8 -2,-0.7 4,-0.2 -0.950 32.0 168.4-118.9 132.3 29.1 16.0 33.5 20 37 A S S S- 0 0 32 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.298 96.8 -47.8-130.4 45.3 28.5 12.5 35.1 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.133 140.5 28.7 105.2 -12.0 32.0 12.3 36.5 22 39 A Y S S- 0 0 119 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.948 103.5 -80.1-166.4 160.3 33.4 13.4 33.2 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.581 51.3 157.8 -72.1 131.5 32.2 15.5 30.3 24 41 A F E + 0 0 27 -6,-2.5 2,-0.3 1,-0.4 151,-0.2 0.566 60.7 4.2-127.5 -20.3 29.8 13.5 28.1 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.2 151,-0.1 -1,-0.4 -0.978 62.3-123.9-160.1 162.7 27.7 16.1 26.2 26 43 A G E +J 17 0C 0 151,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.438 27.4 179.2-101.5-177.8 27.3 19.7 25.7 27 44 A G E -J 16 0C 0 -11,-1.0 -11,-2.4 -2,-0.2 2,-0.4 -0.954 25.3-114.8-170.0 173.7 24.1 21.7 26.3 28 45 A S E -JL 15 36C 0 8,-2.8 8,-2.9 -2,-0.3 2,-0.7 -0.994 20.4-131.3-128.1 130.6 22.8 25.3 26.0 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.5 -2,-0.4 6,-0.2 -0.735 27.2 176.2 -78.3 116.7 21.7 27.3 29.0 30 47 A I E - 0 0 19 4,-2.4 2,-0.3 -2,-0.7 5,-0.2 0.548 68.0 -14.7 -98.3 -13.7 18.3 28.7 27.8 31 48 A N E > S- L 0 34C 43 3,-1.3 3,-0.8 70,-0.1 -1,-0.3 -0.934 88.5 -74.5-171.8 172.4 17.5 30.3 31.2 32 49 A S T 3 S+ 0 0 38 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.707 129.1 26.9 -52.9 -26.6 18.8 30.3 34.8 33 50 A Q T 3 S+ 0 0 77 60,-0.2 57,-3.1 1,-0.1 2,-0.4 0.452 111.7 72.7-117.5 -1.7 17.2 26.9 35.6 34 51 A W E < -LM 31 89C 4 -3,-0.8 -4,-2.4 55,-0.2 -3,-1.3 -0.956 47.3-175.2-128.0 137.5 17.0 25.2 32.2 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.9 -2,-0.4 2,-0.4 -0.942 14.2-150.6-122.4 137.7 19.5 23.6 29.9 36 53 A V E +LM 28 87C 0 -8,-2.9 -8,-2.8 -2,-0.4 2,-0.2 -0.923 30.1 151.0-108.4 137.5 18.6 22.2 26.5 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.4 -2,-0.4 2,-0.3 -0.811 51.7 -65.9-148.2-175.0 20.7 19.3 25.2 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.2 47,-0.3 -0.664 36.3-134.7 -82.1 139.9 20.3 16.3 22.9 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.838 107.8 64.8 -62.4 -29.8 17.9 13.7 24.1 40 57 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.602 92.4 64.0 -69.2 -8.9 20.5 11.1 23.2 41 58 A b G < S+ 0 0 3 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.343 75.8 136.7 -92.0 2.3 22.6 12.8 25.9 42 59 A Y < + 0 0 128 -3,-2.2 2,-0.3 -5,-0.0 -3,-0.1 -0.304 21.1 151.2 -56.8 133.7 20.1 11.6 28.5 43 60 A K - 0 0 74 -2,-0.0 3,-0.4 3,-0.0 2,-0.3 -0.948 44.0-115.6-156.8 156.0 21.7 10.3 31.6 44 61 A S S S+ 0 0 96 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.683 97.7 31.8 -93.7 154.8 20.7 10.1 35.2 45 62 A G S S+ 0 0 69 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.929 78.9 173.1 65.2 44.3 22.8 12.0 37.7 46 63 A I - 0 0 4 -3,-0.4 21,-2.4 -26,-0.1 2,-0.5 -0.727 17.8-161.9 -87.5 130.0 23.7 14.8 35.3 47 64 A Q E -KN 19 66C 50 -28,-2.8 -28,-3.1 -2,-0.4 2,-0.5 -0.981 15.1-140.3-110.8 123.0 25.6 17.6 36.8 48 65 A V E -KN 18 65C 0 17,-3.4 17,-2.9 -2,-0.5 2,-0.6 -0.770 11.9-157.9 -87.1 125.8 25.5 20.7 34.6 49 66 A R E -KN 17 64C 49 -32,-2.9 -32,-2.5 -2,-0.5 3,-0.3 -0.933 14.0-177.6-110.1 111.8 28.8 22.6 34.5 50 67 A L E + N 0 63C 1 13,-3.0 13,-1.8 -2,-0.6 -34,-0.1 -0.655 61.5 33.5-102.4 162.3 28.4 26.2 33.4 51 69 A G S S+ 0 0 3 -36,-0.5 10,-0.3 -38,-0.4 2,-0.2 0.731 85.3 154.7 64.6 24.9 31.1 28.8 32.9 52 70 A E + 0 0 8 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.528 20.6 145.6 -88.9 146.7 33.4 26.1 31.6 53 71 A D S S+ 0 0 13 1,-0.4 2,-0.8 4,-0.3 82,-0.5 0.284 81.7 31.7-134.1 -74.3 36.4 26.5 29.3 54 72 A N S > S- 0 0 29 80,-0.2 3,-1.0 3,-0.2 -1,-0.4 -0.832 73.9-161.7 -91.2 110.0 39.0 24.0 30.4 55 73 A I T 3 S+ 0 0 28 78,-2.7 -1,-0.2 -2,-0.8 79,-0.1 0.605 85.4 52.6 -70.1 -9.4 36.8 21.2 31.7 56 74 A N T 3 S+ 0 0 118 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.437 103.5 61.2-104.8 -3.3 39.8 19.7 33.6 57 75 A V S < S- 0 0 73 -3,-1.0 2,-1.1 76,-0.2 -4,-0.3 -0.988 78.3-129.8-128.2 133.5 40.8 22.8 35.5 58 76 A V + 0 0 115 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.743 32.4 174.4 -80.9 101.6 38.8 24.9 38.0 59 77 A E - 0 0 88 -2,-1.1 -1,-0.2 -5,-0.2 -4,-0.0 0.411 50.3-104.6 -90.0 -3.0 39.4 28.2 36.4 60 78 A G S S+ 0 0 59 -3,-0.1 -2,-0.1 0, 0.0 -8,-0.1 0.224 102.8 80.3 103.0 -15.1 37.1 30.1 38.8 61 79 A N + 0 0 55 -10,-0.3 2,-0.1 38,-0.1 -9,-0.1 0.312 64.7 119.7-108.9 11.5 34.0 30.8 36.7 62 80 A E - 0 0 30 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.412 42.1-166.6 -80.9 151.5 32.3 27.5 36.9 63 81 A Q E -N 50 0C 33 -13,-1.8 -13,-3.0 -2,-0.1 2,-0.7 -0.987 7.4-163.2-134.9 111.9 28.9 26.7 38.4 64 82 A F E +N 49 0C 74 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.930 18.0 170.3-102.7 108.8 28.3 23.1 39.0 65 83 A I E -N 48 0C 11 -17,-2.9 -17,-3.4 -2,-0.7 2,-0.1 -0.988 27.5-133.4-124.3 128.2 24.6 22.5 39.4 66 84 A S E -N 47 0C 52 -2,-0.4 25,-3.0 -19,-0.3 26,-0.4 -0.418 30.6-105.5 -74.4 152.9 23.0 19.1 39.5 67 85 A A E -O 90 0C 19 -21,-2.4 23,-0.3 23,-0.2 3,-0.1 -0.570 24.8-168.5 -79.6 144.1 19.9 18.5 37.5 68 86 A S E S+ 0 0 61 21,-3.4 2,-0.3 1,-0.4 22,-0.2 0.736 76.0 5.9 -98.0 -37.1 16.7 18.3 39.4 69 87 A K E -O 89 0C 88 20,-1.3 20,-3.5 2,-0.0 2,-0.4 -0.996 60.1-156.8-150.2 141.4 14.7 17.0 36.4 70 88 A S E -O 88 0C 41 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.972 9.1-168.8-119.6 135.9 15.4 15.8 32.9 71 89 A I E -O 87 0C 32 16,-3.3 16,-2.9 -2,-0.4 2,-0.2 -0.935 4.3-162.3-129.4 104.5 12.7 15.9 30.3 72 90 A V E -O 86 0C 46 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.612 43.6 -85.7 -82.2 147.1 13.4 14.0 27.0 73 91 A H > - 0 0 21 12,-2.2 3,-2.5 10,-0.3 -1,-0.1 -0.316 34.1-126.2 -54.6 133.9 11.2 15.0 24.2 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.803 110.3 40.2 -52.1 -32.3 7.9 13.0 24.2 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.170 80.8 142.0-105.0 19.7 8.5 12.0 20.6 76 94 A Y < - 0 0 52 -3,-2.5 2,-0.6 9,-0.1 7,-0.2 -0.430 33.2-163.6 -63.6 125.7 12.2 11.4 20.8 77 95 A N B >> -P 82 0D 64 5,-2.7 4,-2.5 -2,-0.2 5,-0.6 -0.928 11.1-164.6-116.3 107.2 13.1 8.4 18.7 78 96 A S T 45S+ 0 0 79 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.671 88.4 56.3 -63.5 -16.3 16.6 7.0 19.5 79 97 A N T 45S+ 0 0 144 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.930 122.8 21.3 -81.3 -47.9 16.6 5.0 16.3 80 98 A T T 45S- 0 0 70 2,-0.1 -2,-0.2 -3,-0.1 77,-0.1 0.567 97.7-131.1 -94.0 -14.1 16.0 7.8 13.9 81 99 A L T ><5 + 0 0 29 -4,-2.5 3,-0.9 1,-0.3 2,-0.2 0.674 52.2 157.5 67.5 18.0 17.3 10.5 16.3 82 100 A N B 3 < +P 77 0D 33 -5,-0.6 -5,-2.7 1,-0.3 -1,-0.3 -0.549 63.6 16.7 -74.1 138.9 14.1 12.4 15.4 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 -2,-0.2 -10,-0.3 0.869 79.6 176.1 65.3 40.2 13.2 14.9 18.1 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.514 33.5 114.6 -78.1 78.0 16.6 14.7 19.6 85 103 A I - 0 0 0 -2,-2.1 -12,-2.2 -47,-0.3 2,-0.3 -0.992 38.3-178.2-149.9 144.1 16.1 17.4 22.3 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.7 -2,-0.3 2,-0.4 -0.993 16.2-144.5-146.6 142.5 16.0 17.2 26.1 87 105 A L E -MO 36 71C 0 -16,-2.9 -16,-3.3 -2,-0.3 2,-0.5 -0.887 12.4-164.0-108.7 139.1 15.4 19.8 28.7 88 106 A I E -MO 35 70C 0 -53,-2.9 -53,-2.6 -2,-0.4 2,-0.4 -0.990 7.6-151.1-126.4 120.5 17.3 19.7 32.0 89 107 A K E -MO 34 69C 43 -20,-3.5 -21,-3.4 -2,-0.5 -20,-1.3 -0.787 19.9-128.3 -91.5 135.2 16.1 21.6 35.0 90 108 A L E - O 0 67C 1 -57,-3.1 -23,-0.2 -2,-0.4 -24,-0.1 -0.547 9.3-130.4 -81.0 147.9 18.8 22.7 37.4 91 109 A K S S+ 0 0 140 -25,-3.0 2,-0.3 -2,-0.2 -1,-0.1 0.885 97.0 16.1 -63.4 -38.4 18.4 21.9 41.1 92 110 A S S S- 0 0 67 -26,-0.4 2,-0.1 -60,-0.1 -1,-0.1 -0.906 99.2 -90.1-132.6 157.0 19.3 25.6 41.8 93 111 A A - 0 0 54 -2,-0.3 -60,-0.2 1,-0.1 2,-0.2 -0.434 38.4-120.0 -71.8 140.7 19.3 28.6 39.5 94 112 A A - 0 0 7 -62,-3.1 2,-1.1 -2,-0.1 -1,-0.1 -0.561 25.5-118.2 -75.9 142.4 22.5 29.4 37.7 95 113 A S - 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