==== 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 HYDROLASE 25-APR-99 1QBN . COMPND 2 MOLECULE: PROTEIN (TRYPSIN); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.WHITLOW . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9225.0 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 . 70 31.4 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 . 15 6.7 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 . 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 . 3 1 3 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 7 A I 0 0 1 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 121.7 3.1 14.3 23.8 2 8 A V B +A 171 0A 11 169,-2.6 169,-2.1 1,-0.2 123,-0.1 -0.852 360.0 0.6-102.3 129.8 0.8 14.1 20.7 3 9 A G S S+ 0 0 43 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.699 100.9 120.0 66.1 30.7 -1.0 10.9 19.9 4 10 A G - 0 0 33 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.211 56.7-112.6-103.5-161.3 0.3 9.0 22.9 5 11 A Y E -B 137 0B 109 132,-2.4 132,-3.1 -2,-0.1 2,-0.5 -0.883 34.3 -84.8-132.7 164.5 -1.5 7.3 25.8 6 12 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.574 36.2-151.3 -72.3 120.8 -1.9 7.7 29.6 7 13 A a - 0 0 15 128,-1.8 -1,-0.2 -2,-0.5 129,-0.1 0.894 36.0-116.9 -59.0 -46.7 1.2 5.9 31.0 8 14 A G > - 0 0 27 127,-0.5 3,-1.5 -3,-0.1 4,-0.3 -0.000 47.6 -53.0 109.1 143.6 -0.6 5.0 34.3 9 15 A A T 3 S- 0 0 54 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.240 120.5 -9.2 -54.0 124.8 0.6 6.3 37.7 10 16 A N T 3 S+ 0 0 32 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.714 89.0 127.0 54.1 37.7 4.2 5.6 38.4 11 17 A T S < S+ 0 0 90 -3,-1.5 -2,-0.1 1,-0.3 -1,-0.1 0.600 79.6 45.6 -87.3 -19.4 4.8 3.3 35.4 12 18 A V S > S+ 0 0 6 -4,-0.3 3,-1.5 87,-0.1 -1,-0.3 -0.727 74.3 172.7-122.7 73.0 7.8 5.6 34.4 13 19 A P T 3 S+ 0 0 31 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.578 72.0 58.8 -63.8 -15.2 9.4 5.9 37.9 14 20 A Y T 3 S+ 0 0 24 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.445 79.8 112.8 -92.5 -3.0 12.5 7.7 36.6 15 21 A Q E < -J 28 0C 6 -3,-1.5 36,-0.4 13,-0.2 37,-0.4 -0.568 48.5-168.0 -75.1 130.6 10.4 10.6 35.1 16 22 A V E -J 27 0C 1 11,-2.6 11,-1.2 -2,-0.3 2,-0.5 -0.874 16.3-144.9-122.7 148.2 10.9 14.0 36.9 17 23 A S E -JK 26 49C 1 32,-2.1 32,-3.0 -2,-0.3 2,-0.5 -0.978 13.6-146.7-108.8 127.3 9.0 17.2 36.6 18 24 A L E -JK 25 48C 0 7,-3.5 6,-2.5 -2,-0.5 7,-1.0 -0.873 23.9-170.8 -95.7 123.6 11.1 20.4 36.9 19 25 A N E +JK 23 47C 20 28,-3.0 28,-2.2 -2,-0.5 4,-0.2 -0.970 30.7 170.3-124.1 134.4 9.0 23.1 38.7 20 26 A S S S- 0 0 30 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.336 97.3 -45.2-131.8 47.9 9.6 26.8 39.3 21 27 A G S S+ 0 0 73 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.302 141.2 27.0 104.6 -5.8 6.1 27.6 40.6 22 28 A Y S S- 0 0 133 -4,-0.0 -2,-2.3 0, 0.0 2,-0.3 -0.924 103.1 -78.8-171.8 160.3 4.7 25.5 37.7 23 29 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.522 51.7 156.9 -71.4 130.1 5.9 22.6 35.6 24 30 A F E + 0 0 34 -6,-2.5 2,-0.3 1,-0.4 151,-0.2 0.583 58.9 6.4-132.4 -13.2 8.2 23.8 32.8 25 31 A b E -J 18 0C 6 -7,-1.0 -7,-3.5 151,-0.1 -1,-0.4 -0.957 61.2-123.0-166.4 156.6 10.4 20.8 31.8 26 32 A G E +J 17 0C 1 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.360 28.6 178.0 -93.7 175.7 10.8 17.0 32.3 27 33 A G E -J 16 0C 0 -11,-1.2 -11,-2.6 -2,-0.1 2,-0.4 -0.952 23.8-117.6-167.3 173.3 14.0 15.3 33.5 28 34 A S E -JL 15 36C 0 8,-2.4 8,-2.6 -2,-0.3 2,-0.6 -0.997 18.8-129.6-128.1 133.0 15.3 11.8 34.3 29 35 A L E + L 0 35C 1 -15,-2.2 74,-2.2 -2,-0.4 6,-0.2 -0.711 27.3 173.9 -81.7 121.4 16.6 10.5 37.7 30 36 A I E - 0 0 20 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.634 67.5 -13.0-102.5 -15.9 20.0 8.8 37.1 31 37 A N E > S- L 0 34C 53 3,-1.3 3,-0.8 70,-0.1 -1,-0.3 -0.916 88.6 -75.3-166.6 175.8 20.8 8.2 40.8 32 38 A S T 3 S+ 0 0 36 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.712 129.6 28.1 -57.3 -22.6 19.6 9.2 44.2 33 39 A Q T 3 S+ 0 0 83 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.450 110.3 71.3-117.0 -4.3 21.2 12.6 43.9 34 40 A W E < -LM 31 89C 8 -3,-0.8 -4,-2.4 55,-0.2 -3,-1.3 -0.966 46.3-173.3-128.2 142.4 21.3 13.5 40.2 35 41 A V E -LM 29 88C 0 53,-2.3 53,-2.6 -2,-0.4 2,-0.4 -0.958 13.4-149.1-126.3 139.2 18.9 14.4 37.4 36 42 A V E +LM 28 87C 0 -8,-2.6 -8,-2.4 -2,-0.4 2,-0.2 -0.935 31.4 148.0-106.2 136.8 19.6 14.8 33.7 37 43 A S E - M 0 86C 0 49,-2.8 49,-2.3 -2,-0.4 2,-0.3 -0.735 50.6 -68.1-147.6-168.9 17.6 17.3 31.6 38 44 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.728 32.7-131.6 -91.4 142.3 18.1 19.6 28.6 39 45 A A G > S+ 0 0 2 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.862 107.5 64.1 -56.9 -36.8 20.4 22.7 28.9 40 46 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.637 93.6 63.4 -67.3 -8.6 17.6 24.8 27.3 41 47 A b G < S+ 0 0 5 -3,-1.6 -1,-0.3 -15,-0.1 -2,-0.2 0.346 76.2 135.1 -90.1 -4.6 15.5 24.0 30.5 42 48 A Y < + 0 0 128 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.1 -0.230 22.6 151.7 -55.8 132.6 18.1 25.9 32.6 43 49 A K - 0 0 58 0, 0.0 3,-0.3 0, 0.0 2,-0.3 -0.967 45.4-110.6-155.4 157.4 16.5 28.2 35.2 44 50 A S S S+ 0 0 99 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.710 97.7 30.0 -91.4 145.1 17.5 29.5 38.6 45 51 A G S S+ 0 0 67 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.924 77.5 175.8 73.5 53.2 15.3 28.2 41.5 46 52 A I - 0 0 8 -3,-0.3 21,-1.9 -26,-0.1 2,-0.4 -0.698 17.2-162.2 -91.2 140.0 14.4 24.7 40.3 47 53 A Q E -KN 19 66C 52 -28,-2.2 -28,-3.0 -2,-0.3 2,-0.5 -0.991 15.3-140.9-118.9 129.3 12.4 22.3 42.5 48 54 A V E -KN 18 65C 0 17,-3.0 17,-2.7 -2,-0.4 2,-0.6 -0.784 11.5-159.0 -95.1 124.2 12.5 18.6 41.3 49 55 A R E -KN 17 64C 51 -32,-3.0 -32,-2.1 -2,-0.5 3,-0.3 -0.934 13.3-175.9-113.5 114.4 9.3 16.7 41.7 50 56 A L E + N 0 63C 2 13,-3.0 13,-1.7 -2,-0.6 -34,-0.1 -0.653 60.0 27.8-104.3 158.9 9.6 12.9 41.8 51 57 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.664 84.9 158.2 63.5 22.7 7.0 10.1 41.9 52 58 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.501 23.1 153.4 -81.2 144.2 4.5 12.3 40.1 53 59 A D S S+ 0 0 14 1,-0.5 2,-0.7 4,-0.3 82,-0.3 0.440 79.2 29.6-124.2 -76.4 1.4 11.3 38.1 54 60 A N S > S- 0 0 29 80,-0.2 3,-1.0 3,-0.2 -1,-0.5 -0.796 72.6-157.9 -86.9 117.9 -1.2 14.1 38.2 55 61 A I T 3 S+ 0 0 30 78,-2.8 -1,-0.1 -2,-0.7 79,-0.1 0.527 89.2 50.3 -76.9 -3.3 1.0 17.3 38.5 56 62 A N T 3 S+ 0 0 119 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.365 105.2 61.6-111.6 0.4 -1.9 19.3 39.9 57 63 A V S < S- 0 0 70 -3,-1.0 2,-0.9 76,-0.2 -4,-0.3 -0.996 77.2-130.3-132.1 135.6 -3.0 16.8 42.6 58 64 A V + 0 0 118 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.798 31.7 173.8 -84.8 108.5 -1.0 15.6 45.6 59 65 A E - 0 0 92 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.525 48.1-105.7 -96.3 -9.3 -1.5 11.8 45.3 60 66 A G S S+ 0 0 59 0, 0.0 -8,-0.1 0, 0.0 -2,-0.1 0.038 101.2 78.6 109.8 -26.1 0.8 10.6 48.0 61 67 A N + 0 0 57 -10,-0.3 2,-0.2 38,-0.0 38,-0.0 0.204 67.6 117.9-100.8 17.0 3.9 9.2 46.3 62 68 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.549 43.4-165.2 -86.7 152.2 5.7 12.5 45.5 63 69 A Q E -N 50 0C 36 -13,-1.7 -13,-3.0 -2,-0.2 2,-0.6 -0.998 7.5-161.8-130.5 123.2 9.0 13.7 46.7 64 70 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.959 17.6 170.9-109.6 116.5 9.7 17.5 46.2 65 71 A I E -N 48 0C 16 -17,-2.7 -17,-3.0 -2,-0.6 2,-0.1 -0.991 27.8-129.4-132.8 128.8 13.5 18.4 46.5 66 72 A S E -N 47 0C 64 -2,-0.4 25,-2.8 -19,-0.3 2,-0.3 -0.361 28.8-111.9 -68.2 155.5 15.2 21.6 45.7 67 73 A A E -O 90 0C 27 -21,-1.9 23,-0.3 23,-0.2 3,-0.1 -0.669 23.2-170.6 -88.7 135.6 18.2 21.7 43.4 68 74 A S E S+ 0 0 73 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.694 72.7 13.2 -95.4 -28.8 21.6 22.6 45.0 69 75 A K E -O 89 0C 91 20,-1.2 20,-2.7 2,-0.0 2,-0.4 -0.985 57.5-160.4-152.9 139.8 23.6 22.9 41.8 70 76 A S E -O 88 0C 44 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.988 8.3-170.7-124.4 132.2 22.9 23.1 38.0 71 77 A I E -O 87 0C 37 16,-2.7 16,-2.3 -2,-0.4 2,-0.3 -0.936 5.8-161.0-128.1 106.7 25.6 22.3 35.4 72 78 A V E -O 86 0C 48 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.613 42.9 -89.4 -82.4 140.7 24.9 23.1 31.8 73 79 A H > - 0 0 24 12,-2.2 3,-1.9 -2,-0.3 -1,-0.1 -0.286 36.6-121.1 -50.8 137.7 27.2 21.2 29.4 74 80 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.703 110.0 41.4 -54.4 -28.4 30.4 23.3 28.7 75 81 A S T 3 S+ 0 0 70 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.084 77.3 142.5-112.8 23.0 29.7 23.4 25.0 76 82 A Y < - 0 0 56 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.394 33.6-161.6 -61.4 128.9 26.0 24.0 25.0 77 83 A N B >> -P 82 0D 72 5,-2.1 4,-2.4 1,-0.1 5,-0.6 -0.957 8.4-161.4-119.1 108.6 25.1 26.5 22.1 78 84 A S T 45S+ 0 0 79 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.718 88.2 56.9 -63.7 -22.0 21.7 28.1 22.6 79 85 A N T 45S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.908 122.2 21.7 -75.8 -42.2 21.5 29.1 19.0 80 86 A T T 45S- 0 0 72 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.616 95.7-129.4 -97.8 -17.0 21.9 25.6 17.5 81 87 A L T ><5 + 0 0 32 -4,-2.4 3,-0.8 1,-0.3 2,-0.2 0.653 50.6 160.6 69.0 21.5 20.8 23.6 20.5 82 88 A N B 3 < +P 77 0D 38 -5,-0.6 -5,-2.1 1,-0.2 -1,-0.3 -0.531 65.8 14.2 -72.4 136.7 24.0 21.5 20.1 83 89 A N T 3 S- 0 0 16 -7,-0.2 2,-1.7 -2,-0.2 -10,-0.2 0.895 79.4-179.6 62.3 49.5 24.9 19.7 23.3 84 90 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.580 36.1 111.9 -82.4 81.2 21.4 20.3 24.9 85 91 A I + 0 0 0 -2,-1.7 -12,-2.2 -47,-0.3 2,-0.3 -0.986 36.8 177.1-156.0 142.2 22.1 18.5 28.2 86 92 A M E -MO 37 72C 0 -49,-2.3 -49,-2.8 -2,-0.3 2,-0.4 -0.978 19.7-137.6-148.6 150.9 22.4 19.6 31.8 87 93 A L E -MO 36 71C 0 -16,-2.3 -16,-2.7 -2,-0.3 2,-0.4 -0.886 13.6-161.9-113.4 140.5 22.8 17.9 35.2 88 94 A I E -MO 35 70C 0 -53,-2.6 -53,-2.3 -2,-0.4 2,-0.4 -0.997 6.8-151.2-128.0 119.1 20.9 18.8 38.4 89 95 A K E -MO 34 69C 43 -20,-2.7 -21,-2.8 -2,-0.4 -20,-1.2 -0.798 19.3-129.8 -93.6 132.3 22.1 17.8 41.8 90 96 A L E - 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