==== 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 1V2N . 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) . 9368.0 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 . 72 32.3 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 . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.5 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 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 . 3 3 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,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 120.0 51.5 14.5 49.5 2 17 T V B +A 171 0A 10 169,-3.3 169,-1.9 1,-0.2 123,-0.1 -0.852 360.0 5.6-102.2 133.2 53.7 14.4 52.6 3 18 T G S S+ 0 0 45 121,-0.6 -1,-0.2 -2,-0.4 169,-0.1 0.690 101.6 123.0 73.2 19.1 55.5 11.2 53.6 4 19 T G - 0 0 35 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.035 55.1-115.9 -95.6-159.4 54.4 9.4 50.5 5 20 T Y E -B 137 0B 92 132,-2.4 132,-3.5 -3,-0.1 2,-0.4 -0.945 34.8 -88.3-139.4 158.4 56.2 7.5 47.7 6 21 T T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.558 35.1-150.6 -70.0 123.3 56.5 8.0 43.9 7 22 T a - 0 0 19 128,-1.8 -1,-0.2 -2,-0.4 129,-0.1 0.883 35.2-114.4 -62.2 -44.6 53.6 6.1 42.3 8 23 T G > - 0 0 29 127,-0.5 3,-2.0 4,-0.0 4,-0.3 0.119 48.7 -52.6 110.1 133.8 55.3 5.2 39.1 9 24 T A T 3 S- 0 0 52 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.055 118.8 -14.0 -43.3 121.2 54.3 6.5 35.6 10 25 T N T 3 S+ 0 0 26 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.692 89.9 128.5 57.8 26.7 50.6 6.0 34.9 11 26 T T S < S+ 0 0 82 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.554 77.0 48.1 -84.9 -8.1 50.0 3.5 37.8 12 27 T V S > S+ 0 0 7 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.651 74.1 173.2-129.1 70.4 47.0 5.7 38.9 13 28 T P T 3 S+ 0 0 32 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.558 71.2 59.1 -56.9 -16.3 45.3 6.1 35.5 14 29 T Y T 3 S+ 0 0 24 86,-0.2 15,-2.3 88,-0.1 2,-0.2 0.562 80.8 107.4 -92.7 -9.1 42.2 7.9 36.8 15 30 T Q E < -J 28 0C 5 -3,-1.8 36,-0.5 13,-0.2 37,-0.4 -0.484 49.3-173.5 -72.0 132.7 44.2 10.8 38.3 16 31 T V E -J 27 0C 0 11,-2.5 11,-1.0 -2,-0.2 2,-0.5 -0.842 19.0-137.7-124.6 163.0 43.9 14.1 36.5 17 32 T S E -JK 26 49C 1 32,-1.9 32,-2.7 -2,-0.3 2,-0.6 -0.988 13.5-143.7-120.6 126.5 45.6 17.4 36.8 18 33 T L E -JK 25 48C 0 7,-3.1 6,-2.1 -2,-0.5 7,-0.9 -0.824 24.9-166.5 -91.2 125.9 43.6 20.6 36.5 19 34 T N E +JK 23 47C 23 28,-2.9 28,-2.3 -2,-0.6 4,-0.2 -0.946 31.7 166.6-123.7 133.0 45.6 23.3 34.7 20 37 T S S S- 0 0 30 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.269 97.2 -47.9-131.4 42.4 45.1 27.0 34.3 21 38 T G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.168 139.5 26.0 107.2 -12.1 48.6 27.8 33.0 22 39 T Y S S- 0 0 135 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.941 102.9 -77.8-167.3 163.2 50.0 25.6 35.9 23 40 T H E +J 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.560 51.9 155.4 -73.2 133.7 48.8 22.7 38.0 24 41 T F E + 0 0 34 -6,-2.1 2,-0.3 1,-0.4 151,-0.2 0.487 59.8 7.5-135.5 -11.7 46.4 23.9 40.8 25 42 T b E -J 18 0C 5 -7,-0.9 -7,-3.1 151,-0.1 -1,-0.4 -0.979 61.0-125.0-166.8 158.6 44.3 20.9 41.7 26 43 T G E +J 17 0C 1 151,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.364 26.8 176.4 -98.5-177.5 43.8 17.2 41.2 27 44 T G E -J 16 0C 0 -11,-1.0 -11,-2.5 10,-0.1 2,-0.4 -0.960 24.2-116.3-174.2 170.5 40.7 15.4 40.0 28 45 T S E -JL 15 36C 1 8,-2.6 8,-2.8 -2,-0.3 2,-0.5 -0.982 19.5-129.4-128.2 136.7 39.4 11.9 39.1 29 46 T L E + L 0 35C 1 -15,-2.3 74,-2.3 -2,-0.4 6,-0.2 -0.716 25.8 174.7 -83.1 122.9 38.1 10.7 35.7 30 47 T I E - 0 0 20 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.611 67.5 -15.2-103.7 -16.5 34.7 8.9 36.2 31 48 T N E > S- L 0 34C 45 3,-1.1 3,-0.6 70,-0.1 -1,-0.3 -0.936 87.6 -75.0-169.0 175.6 33.9 8.3 32.5 32 49 T S T 3 S+ 0 0 40 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.689 128.8 32.8 -59.0 -17.7 35.2 9.4 29.1 33 50 T Q T 3 S+ 0 0 82 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.567 109.7 64.8-115.9 -10.3 33.4 12.8 29.4 34 51 T W E < -LM 31 89C 3 -3,-0.6 -4,-2.3 55,-0.2 -3,-1.1 -0.934 46.9-170.6-129.1 146.6 33.5 13.7 33.1 35 52 T V E -LM 29 88C 0 53,-2.7 53,-2.6 -2,-0.4 2,-0.4 -0.939 13.8-147.9-124.9 144.5 35.9 14.5 35.9 36 53 T V E +LM 28 87C 0 -8,-2.8 -8,-2.6 -2,-0.3 2,-0.2 -0.940 30.5 147.8-114.6 136.1 35.1 14.9 39.6 37 54 T S E - M 0 86C 0 49,-2.7 49,-2.3 -2,-0.4 2,-0.3 -0.735 49.6 -68.2-146.1-168.1 37.1 17.3 41.8 38 55 T A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.724 32.7-132.5 -94.3 144.7 36.6 19.6 44.9 39 56 T A G > S+ 0 0 3 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.837 106.3 64.9 -63.9 -31.9 34.3 22.6 44.7 40 57 T H G 3 S+ 0 0 48 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.582 93.5 63.9 -69.1 -3.9 37.0 24.7 46.3 41 58 T b G < S+ 0 0 4 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.478 76.0 136.1 -93.1 -4.0 39.0 24.1 43.2 42 59 T Y < + 0 0 133 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.1 -0.110 20.5 145.3 -49.0 136.7 36.5 26.0 41.1 43 60 T K - 0 0 58 3,-0.0 2,-0.2 0, 0.0 3,-0.2 -0.954 45.8-109.7-168.0 153.0 37.9 28.3 38.5 44 61 T S S S+ 0 0 98 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.614 93.8 33.2 -89.3 151.7 37.1 29.5 35.0 45 62 T G S S+ 0 0 62 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.979 77.2 173.0 69.7 58.4 39.3 28.5 32.1 46 63 T I - 0 0 12 -3,-0.2 21,-2.0 21,-0.1 2,-0.5 -0.792 20.7-162.3-102.4 139.2 40.3 25.0 33.1 47 64 T Q E -KN 19 66C 50 -28,-2.3 -28,-2.9 -2,-0.4 2,-0.5 -0.989 15.7-141.6-118.6 128.5 42.2 22.5 31.0 48 65 T V E -KN 18 65C 0 17,-3.1 17,-2.7 -2,-0.5 2,-0.6 -0.801 11.9-158.9 -93.2 126.2 42.1 18.9 32.1 49 66 T R E -KN 17 64C 52 -32,-2.7 -32,-1.9 -2,-0.5 3,-0.3 -0.921 12.2-174.2-110.8 114.5 45.3 17.0 31.7 50 67 T L E + N 0 63C 2 13,-2.8 13,-1.7 -2,-0.6 -34,-0.1 -0.685 61.0 28.3-104.9 158.5 45.0 13.2 31.6 51 69 T G S S+ 0 0 6 -36,-0.5 10,-0.2 -38,-0.3 2,-0.2 0.741 84.4 155.3 66.4 25.9 47.7 10.5 31.5 52 70 T E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.569 21.9 151.2 -89.0 144.5 50.2 12.7 33.3 53 71 T D S S+ 0 0 14 1,-0.4 2,-0.8 4,-0.3 82,-0.4 0.386 80.6 31.7-126.9 -74.0 53.1 11.6 35.5 54 72 T N S > S- 0 0 30 80,-0.2 3,-0.9 3,-0.2 -1,-0.4 -0.791 72.2-161.3 -88.0 115.3 55.7 14.4 35.2 55 73 T I T 3 S+ 0 0 31 78,-2.4 -1,-0.1 -2,-0.8 79,-0.1 0.511 85.9 52.9 -76.5 -2.9 53.6 17.5 34.8 56 74 T N T 3 S+ 0 0 122 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.431 104.4 57.9-109.4 -1.5 56.5 19.6 33.4 57 75 T V S < S- 0 0 75 -3,-0.9 2,-0.8 76,-0.2 -4,-0.3 -0.994 77.6-128.7-133.3 132.5 57.6 17.2 30.6 58 76 T V + 0 0 115 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.703 31.9 173.3 -79.4 111.5 55.6 15.9 27.7 59 77 T E - 0 0 101 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.523 49.7-103.3 -99.2 -8.4 56.2 12.2 28.0 60 78 T G S S+ 0 0 59 0, 0.0 -2,-0.1 0, 0.0 -9,-0.0 0.114 102.4 77.7 112.9 -23.9 53.8 11.0 25.2 61 79 T N + 0 0 63 -10,-0.2 -9,-0.1 2,-0.0 2,-0.1 0.350 66.8 118.0-103.1 7.8 50.8 9.6 27.0 62 80 T E - 0 0 30 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.317 43.9-163.0 -76.9 156.0 49.0 12.8 27.8 63 81 T Q E -N 50 0C 38 -13,-1.7 -13,-2.8 -2,-0.1 2,-0.6 -0.972 6.9-160.3-137.7 117.6 45.7 14.1 26.6 64 82 T F E +N 49 0C 84 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.915 19.2 169.0-104.5 116.8 44.9 17.8 27.1 65 83 T I E -N 48 0C 13 -17,-2.7 -17,-3.1 -2,-0.6 2,-0.1 -0.990 28.1-130.9-135.2 128.9 41.2 18.6 26.9 66 84 T S E -N 47 0C 49 -2,-0.4 25,-2.8 -19,-0.2 2,-0.3 -0.382 28.0-113.0 -73.5 152.0 39.4 21.8 27.8 67 85 T A E -O 90 0C 21 -21,-2.0 23,-0.3 23,-0.2 -21,-0.1 -0.684 22.7-170.0 -86.5 137.3 36.4 21.8 30.1 68 86 T S E S+ 0 0 65 21,-3.0 2,-0.3 -2,-0.3 22,-0.2 0.719 72.1 11.5 -97.1 -26.3 33.1 22.8 28.5 69 87 T K E -O 89 0C 87 20,-1.2 20,-2.7 2,-0.0 2,-0.4 -0.994 58.0-158.5-154.0 146.1 31.1 23.0 31.7 70 88 T S E -O 88 0C 45 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.987 7.8-169.8-126.4 135.2 31.7 23.2 35.4 71 89 T I E -O 87 0C 37 16,-3.0 16,-2.5 -2,-0.4 2,-0.3 -0.914 4.5-162.7-132.2 106.7 29.0 22.3 38.0 72 90 T V E -O 86 0C 47 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.634 43.0 -88.0 -83.9 143.3 29.6 23.0 41.7 73 91 T H > - 0 0 24 12,-2.2 3,-1.7 -2,-0.3 -1,-0.1 -0.205 34.6-125.4 -51.0 135.8 27.4 21.2 44.1 74 92 T P T 3 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.765 108.3 41.9 -57.2 -24.5 24.2 23.2 44.7 75 93 T S T 3 S+ 0 0 72 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.175 76.8 144.0-110.6 18.1 24.8 23.2 48.5 76 94 T Y < - 0 0 56 -3,-1.7 2,-0.5 9,-0.1 7,-0.2 -0.358 32.9-160.5 -59.1 132.2 28.5 23.8 48.7 77 95 T N B >> -P 82 0D 64 5,-2.2 4,-2.6 1,-0.1 5,-0.6 -0.944 9.9-164.4-119.9 107.0 29.4 26.0 51.7 78 96 T S T 45S+ 0 0 88 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.551 86.4 61.3 -68.6 -6.8 32.8 27.7 51.5 79 97 T E T 45S+ 0 0 171 3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.887 124.7 13.4 -85.2 -42.7 32.7 28.5 55.2 80 98 T T T 45S- 0 0 54 -3,-0.4 -2,-0.2 2,-0.1 77,-0.1 0.513 96.7-126.3-108.0 -11.3 32.6 24.9 56.4 81 99 T Y T ><5 + 0 0 71 -4,-2.6 3,-0.9 1,-0.3 -3,-0.2 0.662 50.7 162.9 69.0 19.2 33.5 23.2 53.1 82 100 T N B 3 < +P 77 0D 37 -5,-0.6 -5,-2.2 1,-0.3 -1,-0.3 -0.496 66.4 16.5 -67.8 136.4 30.4 21.0 53.5 83 101 T N T 3 S+ 0 0 18 -7,-0.2 2,-1.9 1,-0.2 -10,-0.3 0.870 79.5 176.3 66.5 40.1 29.5 19.5 50.1 84 102 T D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.538 33.1 115.9 -79.2 80.8 32.9 20.2 48.6 85 103 T I + 0 0 0 -2,-1.9 -12,-2.2 -47,-0.3 2,-0.3 -0.994 36.6 179.9-151.4 144.1 32.4 18.5 45.3 86 104 T M E -MO 37 72C 0 -49,-2.3 -49,-2.7 -2,-0.3 2,-0.4 -0.992 15.9-143.7-146.4 148.3 32.3 19.6 41.7 87 105 T L E -MO 36 71C 0 -16,-2.5 -16,-3.0 -2,-0.3 2,-0.4 -0.912 11.8-164.9-115.2 143.1 31.8 18.0 38.3 88 106 T I E -MO 35 70C 0 -53,-2.6 -53,-2.7 -2,-0.4 2,-0.4 -0.996 7.1-151.4-129.7 129.7 33.6 19.0 35.1 89 107 T K E -MO 34 69C 43 -20,-2.7 -21,-3.0 -2,-0.4 -20,-1.2 -0.863 17.9-129.8-103.3 136.6 32.6 18.0 31.6 90 108 T L E - 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