==== 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 30-APR-99 1QB9 . 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) . 9091.0 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 . 75 33.6 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 . 16 7.2 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 . 5 1 2 6 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 2 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 123.2 13.8 4.4 60.0 2 8 A V B +A 171 0A 7 169,-3.6 169,-1.8 1,-0.2 123,-0.1 -0.878 360.0 5.1-103.8 129.0 12.7 6.3 56.9 3 9 A G S S+ 0 0 46 121,-0.6 -1,-0.2 -2,-0.5 167,-0.1 0.694 101.4 127.0 71.7 21.7 9.0 6.3 55.9 4 10 A G - 0 0 32 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.138 54.4-115.8 -93.0-166.1 8.0 4.4 59.1 5 11 A Y E -B 137 0B 108 132,-2.3 132,-2.5 -3,-0.1 2,-0.6 -0.881 34.3 -90.3-129.5 160.1 5.4 5.1 61.8 6 12 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.606 37.3-153.0 -73.7 120.7 5.7 5.7 65.6 7 13 A a - 0 0 14 128,-1.8 -1,-0.2 -2,-0.6 2,-0.1 0.915 33.2-116.7 -61.6 -48.6 5.5 2.2 67.1 8 14 A G > - 0 0 27 127,-0.4 3,-1.5 -3,-0.1 4,-0.3 -0.014 47.8 -48.0 115.4 144.2 4.0 3.2 70.4 9 15 A A T 3 S- 0 0 58 1,-0.3 44,-0.1 -2,-0.1 43,-0.1 -0.185 123.2 -12.1 -48.8 118.3 5.5 2.8 73.9 10 16 A N T 3 S+ 0 0 27 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.776 87.8 134.5 51.6 48.9 6.9 -0.7 74.3 11 17 A T S < S+ 0 0 82 -3,-1.5 -2,-0.1 1,-0.3 -1,-0.1 0.496 77.5 44.3 -91.7 -18.6 5.3 -2.2 71.2 12 18 A V S > S+ 0 0 4 -4,-0.3 3,-1.1 1,-0.1 -1,-0.3 -0.798 75.9 177.8-128.5 82.2 8.6 -3.9 70.2 13 19 A P T 3 S+ 0 0 31 0, 0.0 88,-0.9 0, 0.0 38,-0.4 0.672 74.9 57.0 -66.3 -22.6 9.6 -5.2 73.7 14 20 A Y T 3 S+ 0 0 20 86,-0.2 15,-1.9 88,-0.1 2,-0.3 0.439 81.0 114.5 -86.2 -7.1 12.8 -7.0 72.5 15 21 A Q E < -J 28 0C 5 -3,-1.1 36,-0.5 13,-0.2 37,-0.4 -0.484 47.5-169.7 -71.7 128.7 14.2 -3.7 71.1 16 22 A V E -JK 27 50C 2 11,-2.8 11,-1.4 -2,-0.3 2,-0.5 -0.907 17.6-145.0-123.2 147.8 17.3 -2.4 72.8 17 23 A S E -JK 26 49C 1 32,-2.1 32,-3.0 -2,-0.3 2,-0.5 -0.959 14.1-146.2-108.5 130.4 19.2 0.8 72.7 18 24 A L E -JK 25 48C 0 7,-3.1 6,-2.3 -2,-0.5 7,-1.0 -0.895 23.4-170.3 -97.9 125.7 23.0 0.6 73.0 19 25 A N E +JK 23 47C 21 28,-3.4 28,-2.5 -2,-0.5 4,-0.2 -0.960 30.9 169.8-125.5 137.0 24.3 3.6 74.8 20 26 A S S S- 0 0 30 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.342 96.9 -46.4-134.2 46.4 27.8 4.9 75.4 21 27 A G S S+ 0 0 71 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.316 140.7 28.6 107.7 -4.4 26.7 8.3 76.8 22 28 A Y S S- 0 0 132 -4,-0.1 -2,-2.3 0, 0.0 2,-0.3 -0.921 103.2 -81.3-170.3 159.8 24.3 8.6 73.9 23 29 A H E +J 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.551 51.6 158.8 -73.6 133.9 22.3 6.2 71.7 24 30 A F E + 0 0 33 -6,-2.3 2,-0.3 1,-0.5 151,-0.2 0.551 59.0 3.8-131.5 -16.0 24.5 4.8 69.0 25 31 A b E -J 18 0C 7 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.5 -0.981 62.8-120.4-164.4 162.6 22.9 1.5 67.8 26 32 A G E +J 17 0C 1 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.479 29.4 178.8 -99.8 176.8 19.9 -0.8 68.3 27 33 A G E -J 16 0C 0 -11,-1.4 -11,-2.8 -2,-0.2 2,-0.4 -0.927 23.1-120.3-166.9 174.9 20.0 -4.4 69.5 28 34 A S E -JL 15 36C 2 8,-2.5 8,-3.0 -2,-0.3 2,-0.5 -0.988 19.0-131.1-133.2 135.2 17.6 -7.3 70.3 29 35 A L E + L 0 35C 1 -15,-1.9 74,-2.4 -2,-0.4 6,-0.3 -0.758 23.9 176.4 -88.7 122.3 17.3 -9.2 73.6 30 36 A I E - 0 0 19 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.649 67.9 -10.3-103.1 -14.8 17.4 -12.9 73.1 31 37 A N E > S- L 0 34C 55 3,-1.2 3,-0.6 70,-0.1 -1,-0.3 -0.918 88.2 -76.1-165.1 178.2 17.2 -13.9 76.7 32 38 A S T 3 S+ 0 0 40 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.733 130.2 28.3 -59.6 -22.9 17.4 -12.3 80.2 33 39 A Q T 3 S+ 0 0 79 60,-0.2 57,-2.5 56,-0.1 2,-0.4 0.414 110.0 68.5-117.9 -5.5 21.2 -12.0 79.8 34 40 A W E < -LM 31 89C 10 -3,-0.6 -4,-2.5 55,-0.2 -3,-1.2 -0.957 46.7-171.8-126.7 143.1 22.0 -11.7 76.1 35 41 A V E -LM 29 88C 0 53,-2.4 53,-2.8 -2,-0.4 2,-0.4 -0.968 13.5-148.5-128.5 141.7 21.6 -9.1 73.4 36 42 A V E +LM 28 87C 2 -8,-3.0 -8,-2.5 -2,-0.4 2,-0.2 -0.944 32.6 143.6-111.4 136.3 22.3 -9.5 69.7 37 43 A S E - M 0 86C 0 49,-2.4 49,-2.4 -2,-0.4 2,-0.3 -0.763 51.0 -64.4-152.4-169.3 23.5 -6.5 67.6 38 44 A A > - 0 0 0 -12,-0.4 3,-1.4 47,-0.3 47,-0.3 -0.713 29.4-133.5 -95.0 144.7 25.9 -5.8 64.7 39 45 A A G > S+ 0 0 3 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.872 107.6 64.9 -61.0 -32.9 29.6 -6.2 64.9 40 46 A H G 3 S+ 0 0 69 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.652 95.3 60.8 -67.5 -11.0 30.0 -2.7 63.3 41 47 A b G < S+ 0 0 3 -3,-1.4 -1,-0.3 -15,-0.1 -2,-0.2 0.348 77.4 136.2 -89.2 -4.8 28.3 -1.3 66.5 42 48 A Y < + 0 0 129 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.1 -0.226 22.3 146.1 -53.0 134.5 31.2 -2.7 68.6 43 49 A K - 0 0 48 0, 0.0 3,-0.3 0, 0.0 2,-0.3 -0.955 47.1-109.3-164.9 158.2 32.4 -0.3 71.2 44 50 A S S S+ 0 0 102 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.687 95.7 37.5 -93.0 144.2 33.8 -0.3 74.7 45 51 A G S S+ 0 0 62 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.849 75.8 176.6 82.5 43.1 31.6 1.1 77.6 46 52 A I - 0 0 9 -3,-0.3 21,-2.6 -26,-0.1 2,-0.4 -0.591 15.6-171.3 -88.2 130.8 28.2 -0.2 76.5 47 53 A Q E -KN 19 66C 53 -28,-2.5 -28,-3.4 -2,-0.4 2,-0.5 -0.966 17.7-141.7-113.4 131.7 25.2 0.3 78.6 48 54 A V E -KN 18 65C 0 17,-3.5 17,-2.7 -2,-0.4 2,-0.6 -0.855 11.2-158.7 -98.2 129.1 22.0 -1.6 77.4 49 55 A R E -KN 17 64C 50 -32,-3.0 -32,-2.1 -2,-0.5 3,-0.3 -0.950 12.1-174.8-119.1 115.7 18.7 0.2 77.7 50 56 A L E +KN 16 63C 1 13,-2.5 13,-2.0 -2,-0.6 -34,-0.1 -0.707 61.5 25.5-102.8 154.1 15.6 -1.9 77.8 51 57 A G S S+ 0 0 5 -36,-0.5 10,-0.2 -38,-0.4 2,-0.2 0.668 83.3 156.3 67.1 24.0 11.9 -0.9 77.8 52 58 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.516 20.8 158.5 -83.2 141.2 12.7 2.4 76.1 53 59 A D S S+ 0 0 15 1,-0.5 2,-0.7 4,-0.3 82,-0.6 0.494 79.0 26.6-117.5 -73.8 10.2 4.5 74.1 54 60 A N B > S-P 134 0D 27 80,-0.2 3,-1.1 3,-0.2 -1,-0.5 -0.866 72.6-155.8 -92.0 112.6 11.5 8.0 74.0 55 61 A I T 3 S+ 0 0 29 78,-2.4 -1,-0.1 -2,-0.7 79,-0.1 0.520 88.9 52.3 -69.6 -9.5 15.3 7.8 74.5 56 62 A N T 3 S+ 0 0 120 77,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.255 105.2 55.2-108.2 7.8 15.5 11.3 75.9 57 63 A V S < S- 0 0 68 -3,-1.1 2,-0.9 76,-0.2 -4,-0.3 -0.995 76.0-133.2-138.4 133.2 12.9 11.1 78.7 58 64 A V + 0 0 108 -2,-0.4 -3,-0.1 1,-0.1 -6,-0.0 -0.846 26.1 176.2 -92.2 108.7 12.8 8.5 81.5 59 65 A E - 0 0 95 -2,-0.9 -1,-0.1 -5,-0.2 -7,-0.0 0.248 52.2-106.2 -96.9 11.9 9.1 7.4 81.5 60 66 A G S S+ 0 0 61 1,-0.0 -2,-0.1 -3,-0.0 -8,-0.1 0.156 100.8 89.1 86.4 -12.9 9.8 4.8 84.2 61 67 A N + 0 0 55 -10,-0.2 2,-0.1 2,-0.0 38,-0.1 0.368 64.2 116.4 -89.9 -3.7 9.7 1.5 82.4 62 68 A E - 0 0 28 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.373 45.9-164.8 -75.2 147.4 13.4 1.5 81.5 63 69 A Q E -N 50 0C 32 -13,-2.0 -13,-2.5 -2,-0.1 2,-0.6 -0.990 7.2-162.9-129.1 115.4 16.1 -0.8 82.7 64 70 A F E +N 49 0C 73 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.946 17.3 173.8-105.5 113.4 19.7 0.4 82.2 65 71 A I E -N 48 0C 17 -17,-2.7 -17,-3.5 -2,-0.6 2,-0.1 -0.991 26.8-128.0-126.5 129.4 22.2 -2.5 82.4 66 72 A S E -N 47 0C 63 -2,-0.4 25,-2.7 -19,-0.3 26,-0.3 -0.385 26.8-114.5 -70.7 152.1 25.9 -2.4 81.7 67 73 A A E -O 90 0C 25 -21,-2.6 23,-0.3 23,-0.2 3,-0.1 -0.611 23.5-171.3 -83.7 137.5 27.5 -5.0 79.4 68 74 A S E S+ 0 0 71 21,-3.2 2,-0.3 1,-0.4 22,-0.2 0.700 72.0 14.2 -98.1 -26.9 29.9 -7.4 81.1 69 75 A K E -O 89 0C 95 20,-1.1 20,-2.4 2,-0.0 -1,-0.4 -0.993 58.7-159.2-152.9 141.1 31.2 -9.0 77.9 70 76 A S E -O 88 0C 44 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.975 7.7-173.1-124.9 135.7 31.2 -8.3 74.1 71 77 A I E -O 87 0C 32 16,-2.5 16,-2.6 -2,-0.4 2,-0.3 -0.907 5.6-163.8-136.1 104.1 31.8 -11.0 71.5 72 78 A V E -O 86 0C 46 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.626 43.9 -88.7 -83.0 144.5 32.1 -10.0 67.8 73 79 A H > - 0 0 24 12,-2.3 3,-1.8 -2,-0.3 -1,-0.1 -0.268 35.7-122.7 -52.1 137.4 31.7 -12.9 65.3 74 80 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.720 110.0 43.2 -56.2 -29.9 35.1 -14.6 64.7 75 81 A S T 3 S+ 0 0 74 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.086 77.6 142.9-105.3 16.6 34.8 -14.0 61.0 76 82 A Y < - 0 0 58 -3,-1.8 2,-0.5 9,-0.1 7,-0.2 -0.374 35.1-158.6 -55.1 131.8 33.5 -10.4 61.0 77 83 A N B >> -Q 82 0E 69 5,-2.0 4,-2.7 1,-0.1 5,-0.5 -0.972 8.2-164.6-120.5 107.1 35.1 -8.4 58.1 78 84 A S T 45S+ 0 0 80 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.722 87.4 58.0 -64.6 -21.6 34.9 -4.7 58.7 79 85 A N T 45S+ 0 0 145 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.902 124.0 16.6 -76.3 -36.7 35.7 -4.0 55.1 80 86 A T T 45S- 0 0 71 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.1 0.542 94.4-127.2-110.9 -19.0 32.7 -5.9 53.6 81 87 A L T ><5 + 0 0 29 -4,-2.7 3,-0.9 1,-0.3 2,-0.2 0.598 51.2 158.0 74.2 16.7 30.5 -6.3 56.6 82 88 A N B 3 < +Q 77 0E 37 -5,-0.5 -5,-2.0 1,-0.3 -1,-0.3 -0.541 69.6 17.4 -68.5 137.7 30.2 -10.0 56.1 83 89 A N T 3 S+ 0 0 13 -7,-0.2 2,-1.8 1,-0.2 -10,-0.3 0.902 79.4 177.1 64.1 48.0 29.3 -11.6 59.4 84 90 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.551 35.1 113.7 -83.0 82.5 28.1 -8.3 60.9 85 91 A I + 0 0 0 -2,-1.8 -12,-2.3 -47,-0.3 2,-0.3 -0.984 37.0 178.8-154.3 139.1 26.8 -9.7 64.3 86 92 A M E -MO 37 72C 0 -49,-2.4 -49,-2.4 -2,-0.3 2,-0.4 -0.973 19.1-139.8-139.7 149.3 27.9 -9.4 67.9 87 93 A L E -MO 36 71C 0 -16,-2.6 -16,-2.5 -2,-0.3 2,-0.4 -0.881 14.8-163.1-108.0 142.0 26.6 -10.8 71.2 88 94 A I E -MO 35 70C 0 -53,-2.8 -53,-2.4 -2,-0.4 2,-0.4 -0.983 6.0-151.8-132.0 116.2 26.5 -8.6 74.4 89 95 A K E -MO 34 69C 44 -20,-2.4 -21,-3.2 -2,-0.4 -20,-1.1 -0.782 17.3-126.7 -92.3 134.5 26.1 -10.2 77.8 90 96 A L E - 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