==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-OCT-03 1V2W . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR D.RAUH,G.KLEBE,M.T.STUBBS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 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 . 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 0 1 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 T I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 128.9 -7.9 8.7 19.4 2 17 T V B +A 171 0A 10 169,-3.3 169,-1.7 1,-0.2 123,-0.1 -0.904 360.0 4.3-107.9 130.4 -10.1 9.4 16.4 3 18 T G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.719 101.2 122.9 74.1 21.8 -11.8 6.5 14.6 4 19 T G - 0 0 33 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.089 55.3-115.6 -98.1-160.5 -10.6 3.9 17.0 5 20 T Y E -B 137 0B 99 132,-2.6 132,-3.8 -3,-0.1 2,-0.5 -0.918 34.9 -86.8-137.4 161.7 -12.4 1.3 19.2 6 21 T T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.598 35.8-151.9 -71.3 120.4 -12.8 0.7 22.9 7 22 T a - 0 0 19 128,-1.7 -1,-0.2 -2,-0.5 129,-0.1 0.939 36.7-112.1 -57.6 -53.2 -9.8 -1.4 23.9 8 23 T G > - 0 0 24 127,-0.5 3,-2.0 -3,-0.1 4,-0.3 -0.112 47.2 -55.1 121.4 139.0 -11.4 -3.1 26.9 9 24 T A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.185 118.7 -13.9 -50.0 120.0 -10.6 -2.8 30.5 10 25 T N T 3 S+ 0 0 24 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.650 90.5 128.3 61.4 22.8 -6.9 -3.4 31.2 11 26 T T S < S+ 0 0 86 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.551 76.6 48.5 -82.4 -6.4 -6.2 -5.0 27.8 12 27 T V S > S+ 0 0 7 -4,-0.3 3,-2.0 87,-0.1 -1,-0.3 -0.632 73.2 172.9-129.9 68.7 -3.2 -2.6 27.4 13 28 T P T 3 S+ 0 0 30 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.546 71.6 60.0 -56.1 -15.5 -1.5 -3.1 30.8 14 29 T Y T 3 S+ 0 0 25 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.470 80.2 107.0 -94.4 -3.7 1.5 -1.0 30.0 15 30 T Q E < -J 28 0C 6 -3,-2.0 36,-0.4 13,-0.2 37,-0.4 -0.586 49.6-173.6 -77.9 132.4 -0.5 2.2 29.3 16 31 T V E -J 27 0C 0 11,-2.2 11,-0.9 -2,-0.3 2,-0.5 -0.890 19.3-137.5-125.3 157.4 -0.3 4.9 32.0 17 32 T S E -JK 26 49C 1 32,-2.1 32,-2.5 -2,-0.3 2,-0.6 -0.965 13.8-143.2-114.3 127.7 -2.1 8.2 32.5 18 33 T L E -JK 25 48C 0 7,-3.1 6,-2.3 -2,-0.5 7,-1.0 -0.836 25.9-169.5 -91.6 121.0 0.0 11.2 33.6 19 34 T N E +JK 23 47C 21 28,-2.9 28,-2.3 -2,-0.6 4,-0.2 -0.945 30.9 166.9-121.7 131.2 -2.1 13.2 36.1 20 37 T S S S- 0 0 31 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.307 97.0 -46.5-129.6 44.8 -1.6 16.6 37.6 21 38 T G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.192 140.3 27.7 106.5 -11.3 -5.1 17.0 39.0 22 39 T Y S S- 0 0 134 -4,-0.0 -2,-2.1 0, 0.0 2,-0.2 -0.939 102.0 -81.3-169.4 157.1 -6.4 15.8 35.6 23 40 T H E +J 19 0C 38 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.506 51.9 156.6 -68.2 132.0 -5.2 13.5 32.8 24 41 T F E + 0 0 27 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.547 58.2 8.3-132.5 -17.0 -2.9 15.4 30.5 25 42 T b E -J 18 0C 7 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.990 61.6-122.7-161.2 161.0 -0.7 12.8 28.8 26 43 T G E +J 17 0C 0 151,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.357 28.7 174.8 -97.1-177.9 -0.2 9.2 28.2 27 44 T G E -J 16 0C 0 -11,-0.9 -11,-2.2 10,-0.1 2,-0.4 -0.967 24.4-116.8-174.6 172.8 2.9 7.1 28.9 28 45 T S E -JL 15 36C 0 8,-2.5 8,-2.7 -2,-0.3 2,-0.6 -0.994 17.7-132.1-132.7 134.6 4.3 3.6 28.9 29 46 T L E + L 0 35C 1 -15,-2.2 74,-2.4 -2,-0.4 6,-0.2 -0.737 25.4 174.0 -83.8 118.8 5.6 1.4 31.7 30 47 T I E - 0 0 18 4,-1.9 2,-0.3 -2,-0.6 75,-0.2 0.482 68.1 -12.9-104.3 -4.9 8.9 -0.1 30.7 31 48 T N E > S- L 0 34C 38 3,-1.0 3,-0.9 70,-0.1 -1,-0.3 -0.935 89.7 -72.1-177.4 172.2 9.7 -1.6 34.1 32 49 T S T 3 S+ 0 0 46 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.676 127.7 24.3 -53.8 -22.0 8.5 -1.5 37.7 33 50 T Q T 3 S+ 0 0 55 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.395 109.9 70.8-128.8 6.6 10.0 1.9 38.4 34 51 T W E < -LM 31 89C 8 -3,-0.9 -4,-1.9 55,-0.2 -3,-1.0 -0.975 47.9-171.3-132.5 142.8 10.3 3.8 35.1 35 52 T V E -LM 29 88C 0 53,-2.5 53,-2.7 -2,-0.4 2,-0.4 -0.956 12.0-148.9-126.3 142.9 7.8 5.3 32.6 36 53 T V E +LM 28 87C 0 -8,-2.7 -8,-2.5 -2,-0.4 2,-0.2 -0.921 30.8 145.7-113.1 140.2 8.6 6.7 29.1 37 54 T S E - M 0 86C 0 49,-2.5 49,-2.2 -2,-0.4 2,-0.3 -0.775 50.9 -60.9-150.6-167.1 6.5 9.6 27.6 38 55 T A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.715 34.0-134.7 -91.6 141.3 6.9 12.6 25.4 39 56 T A G > S+ 0 0 3 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.845 106.2 63.0 -60.5 -34.1 9.2 15.4 26.4 40 57 T H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.570 93.9 64.3 -70.7 -2.9 6.6 18.0 25.5 41 58 T b G < S+ 0 0 4 -3,-1.7 -1,-0.3 2,-0.0 -2,-0.2 0.423 75.7 134.1 -94.4 -2.0 4.5 16.4 28.3 42 59 T Y < + 0 0 134 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.197 20.8 143.9 -54.0 137.1 7.0 17.6 30.8 43 60 T K - 0 0 61 3,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.944 46.0-110.8-167.8 152.7 5.6 19.2 33.9 44 61 T S S S+ 0 0 95 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.629 94.4 37.8 -92.1 154.1 6.4 19.2 37.7 45 62 T G S S+ 0 0 69 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.912 78.2 170.5 75.6 43.5 4.2 17.5 40.2 46 63 T I - 0 0 9 -3,-0.3 21,-2.3 21,-0.1 2,-0.5 -0.702 20.5-163.9 -91.9 136.9 3.3 14.5 38.1 47 64 T Q E -KN 19 66C 49 -28,-2.3 -28,-2.9 -2,-0.3 2,-0.4 -0.985 14.7-141.4-118.5 128.1 1.4 11.5 39.4 48 65 T V E -KN 18 65C 0 17,-3.0 17,-2.6 -2,-0.5 2,-0.6 -0.748 11.3-158.3 -91.0 132.7 1.5 8.3 37.4 49 66 T R E -KN 17 64C 53 -32,-2.5 -32,-2.1 -2,-0.4 3,-0.3 -0.943 12.1-174.9-116.9 115.5 -1.7 6.3 37.3 50 67 T L E + N 0 63C 2 13,-2.9 13,-1.8 -2,-0.6 -34,-0.1 -0.640 61.8 30.4-104.2 161.2 -1.4 2.6 36.3 51 69 T G S S+ 0 0 7 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.751 84.6 156.5 64.1 26.8 -4.1 -0.1 35.8 52 70 T E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.567 20.9 148.0 -88.9 144.6 -6.5 2.6 34.5 53 71 T D S S+ 0 0 14 1,-0.4 2,-0.8 4,-0.2 -1,-0.2 0.329 80.2 30.5-130.0 -78.1 -9.5 2.1 32.2 54 72 T N S > S- 0 0 30 80,-0.2 3,-0.9 3,-0.2 -1,-0.4 -0.784 73.3-161.5 -85.4 114.3 -12.2 4.7 33.1 55 73 T I T 3 S+ 0 0 31 78,-2.5 -1,-0.1 -2,-0.8 79,-0.1 0.433 85.0 53.3 -79.2 3.2 -10.0 7.6 34.4 56 74 T N T 3 S+ 0 0 120 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.429 104.3 58.0-113.7 -2.2 -13.0 9.2 36.2 57 75 T V S < S- 0 0 77 -3,-0.9 2,-0.8 76,-0.2 -4,-0.2 -0.994 79.3-127.1-131.9 131.9 -14.1 6.2 38.3 58 76 T V + 0 0 118 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.674 33.2 173.3 -77.7 112.6 -12.0 4.1 40.8 59 77 T E - 0 0 98 -2,-0.8 -1,-0.2 -5,-0.2 -4,-0.0 0.598 48.4-102.9 -99.2 -13.1 -12.5 0.6 39.4 60 78 T G S S+ 0 0 57 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.340 101.8 76.5 113.6 -10.6 -10.2 -1.4 41.7 61 79 T N + 0 0 52 -10,-0.3 2,-0.2 38,-0.0 -3,-0.0 0.213 67.2 119.4-117.1 15.7 -7.0 -2.2 39.7 62 80 T E - 0 0 35 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.466 42.5-164.6 -86.1 153.5 -5.3 1.2 39.8 63 81 T Q E -N 50 0C 38 -13,-1.8 -13,-2.9 -2,-0.2 2,-0.7 -0.973 6.7-162.7-134.9 115.1 -2.0 2.1 41.3 64 82 T F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.907 18.4 168.0-104.1 113.8 -1.3 5.8 41.9 65 83 T I E -N 48 0C 16 -17,-2.6 -17,-3.0 -2,-0.7 2,-0.1 -0.992 28.7-129.8-131.3 130.5 2.4 6.6 42.3 66 84 T S E -N 47 0C 50 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.392 27.2-112.4 -75.1 152.2 4.1 10.0 42.3 67 85 T A E -O 90 0C 18 -21,-2.3 23,-0.3 23,-0.2 3,-0.1 -0.630 22.6-170.5 -84.2 142.2 7.1 10.7 40.2 68 86 T S E S+ 0 0 63 21,-2.7 2,-0.3 1,-0.4 22,-0.2 0.668 73.0 10.3-102.8 -23.6 10.4 11.3 42.0 69 87 T K E -O 89 0C 89 20,-1.2 20,-2.9 2,-0.0 2,-0.4 -0.980 58.2-159.1-157.7 142.1 12.4 12.4 39.0 70 88 T S E -O 88 0C 40 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.980 7.5-166.2-124.1 135.9 11.8 13.4 35.4 71 89 T I E -O 87 0C 36 16,-3.4 16,-2.6 -2,-0.4 2,-0.2 -0.905 3.5-161.8-129.1 104.9 14.5 13.4 32.7 72 90 T V E -O 86 0C 47 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.562 42.4 -88.8 -79.7 145.5 13.8 15.1 29.4 73 91 T H > - 0 0 24 12,-2.0 3,-2.0 10,-0.3 -1,-0.1 -0.286 34.0-124.9 -55.5 135.2 16.1 14.1 26.5 74 92 T P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.760 108.8 42.6 -53.9 -27.7 19.3 16.2 26.5 75 93 T S T 3 S+ 0 0 73 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.151 77.6 144.0-108.3 19.0 18.7 17.2 22.8 76 94 T Y < - 0 0 59 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.392 32.2-162.4 -62.3 128.2 14.9 17.9 23.0 77 95 T N B >> -P 82 0D 70 5,-2.0 4,-2.6 -2,-0.1 5,-0.7 -0.926 5.6-163.8-115.3 103.2 14.1 20.8 20.7 78 96 T S T 45S+ 0 0 78 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.724 86.2 57.2 -60.1 -23.2 10.6 22.1 21.6 79 97 T N T 45S+ 0 0 153 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.906 123.4 20.6 -76.2 -41.5 10.3 24.0 18.3 80 98 T T T 45S- 0 0 60 -3,-0.4 -2,-0.2 2,-0.1 77,-0.2 0.547 96.9-130.2-101.9 -11.2 10.7 21.0 16.0 81 99 T L T ><5 + 0 0 31 -4,-2.6 3,-0.9 1,-0.2 2,-0.2 0.682 49.2 161.2 66.6 19.9 9.8 18.3 18.6 82 100 T N B 3 < +P 77 0D 35 -5,-0.7 -5,-2.0 1,-0.3 -1,-0.2 -0.521 67.0 15.9 -70.4 138.4 13.0 16.5 17.6 83 101 T N T 3 S+ 0 0 18 1,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.889 80.6 177.4 63.7 41.8 13.9 14.0 20.3 84 102 T D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.516 34.6 113.3 -79.3 78.3 10.5 14.2 21.9 85 103 T I + 0 0 0 -2,-2.1 -12,-2.0 -47,-0.3 2,-0.3 -0.995 37.9 179.9-150.1 145.9 11.1 11.7 24.6 86 104 T M E -MO 37 72C 0 -49,-2.2 -49,-2.5 -2,-0.3 2,-0.4 -0.995 17.7-139.8-148.9 146.6 11.3 11.8 28.4 87 105 T L E -MO 36 71C 0 -16,-2.6 -16,-3.4 -2,-0.3 2,-0.4 -0.887 13.3-164.3-110.2 141.6 11.8 9.3 31.2 88 106 T I E -MO 35 70C 0 -53,-2.7 -53,-2.5 -2,-0.4 2,-0.4 -0.987 6.8-152.2-128.1 122.8 10.0 9.4 34.6 89 107 T K E -MO 34 69C 46 -20,-2.9 -21,-2.7 -2,-0.4 -20,-1.2 -0.800 18.1-131.2 -95.6 136.4 11.1 7.5 37.6 90 108 T L E - 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