==== 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 1V2R . 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) . 9525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 59.2 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 . 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 . 11 4.9 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 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 T I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 118.6 -8.2 7.7 19.6 2 17 T V B +A 171 0A 9 169,-3.2 169,-1.8 1,-0.2 123,-0.1 -0.849 360.0 2.5-100.7 129.3 -10.4 8.2 16.5 3 18 T G S S+ 0 0 46 121,-0.6 -1,-0.2 -2,-0.5 169,-0.1 0.714 101.9 121.2 73.5 22.1 -12.2 5.3 14.9 4 19 T G - 0 0 35 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.015 56.1-111.1 -98.3-155.5 -11.0 2.8 17.5 5 20 T Y E -B 137 0B 100 132,-2.5 132,-3.5 -3,-0.1 2,-0.5 -0.944 34.1 -88.5-140.4 159.5 -12.8 0.4 19.9 6 21 T T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.575 35.6-152.7 -69.8 120.0 -13.3 0.1 23.6 7 22 T a - 0 0 18 128,-1.8 -1,-0.2 -2,-0.5 129,-0.1 0.919 35.1-115.2 -60.9 -48.2 -10.3 -2.0 24.8 8 23 T G > - 0 0 26 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.021 46.8 -52.9 114.5 138.3 -12.0 -3.5 27.8 9 24 T A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.147 118.3 -13.4 -48.4 124.0 -11.0 -3.0 31.5 10 25 T N T 3 S+ 0 0 33 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.695 90.5 127.1 54.9 29.4 -7.3 -3.7 32.2 11 26 T T S < S+ 0 0 83 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.544 76.0 49.6 -87.5 -8.3 -6.6 -5.4 28.9 12 27 T V S > S+ 0 0 8 -4,-0.3 3,-1.8 87,-0.1 -1,-0.3 -0.668 74.0 174.2-127.6 70.6 -3.7 -3.0 28.3 13 28 T P T 3 S+ 0 0 32 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.605 72.4 56.5 -55.1 -19.9 -2.0 -3.4 31.7 14 29 T Y T 3 S+ 0 0 21 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.509 80.6 109.9 -93.5 -6.4 1.1 -1.3 30.8 15 30 T Q E < -J 28 0C 5 -3,-1.8 36,-0.4 13,-0.2 37,-0.4 -0.519 48.2-172.8 -72.8 131.0 -1.0 1.8 29.9 16 31 T V E -J 27 0C 1 11,-2.4 11,-1.1 -2,-0.3 2,-0.4 -0.874 18.3-139.4-123.9 158.8 -0.7 4.7 32.3 17 32 T S E -JK 26 49C 1 32,-2.0 32,-2.7 -2,-0.3 2,-0.6 -0.965 13.7-142.6-115.9 132.3 -2.4 8.0 32.6 18 33 T L E -JK 25 48C 0 7,-3.2 6,-2.3 -2,-0.4 7,-1.0 -0.870 24.2-167.1 -96.2 123.9 -0.4 11.1 33.5 19 34 T N E +JK 23 47C 22 28,-2.7 28,-2.1 -2,-0.6 4,-0.2 -0.943 30.6 165.6-121.0 129.4 -2.4 13.3 35.8 20 37 T S S S- 0 0 30 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.345 97.2 -47.2-129.4 47.4 -1.8 16.9 36.9 21 38 T G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.150 139.7 26.7 105.4 -15.7 -5.3 17.5 38.3 22 39 T Y S S- 0 0 142 -4,-0.1 -2,-2.1 0, 0.0 2,-0.3 -0.951 103.0 -78.9-165.1 161.4 -6.7 15.9 35.2 23 40 T H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.553 52.7 156.4 -70.9 130.3 -5.6 13.4 32.5 24 41 T F E + 0 0 27 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.533 59.3 3.5-130.8 -15.2 -3.2 15.2 30.1 25 42 T b E -J 18 0C 7 -7,-1.0 -7,-3.2 151,-0.1 -1,-0.4 -0.984 61.2-124.8-164.5 162.2 -1.1 12.4 28.5 26 43 T G E +J 17 0C 1 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.433 26.1 175.9-103.9-178.0 -0.5 8.7 28.4 27 44 T G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.2 2,-0.4 -0.964 24.8-111.2-171.4 176.9 2.6 6.6 29.1 28 45 T S E -JL 15 36C 0 8,-2.3 8,-2.5 -2,-0.3 2,-0.7 -0.990 18.2-132.4-131.2 133.7 3.9 3.1 29.4 29 46 T L E + L 0 35C 1 -15,-2.2 74,-2.3 -2,-0.4 6,-0.2 -0.728 25.5 174.4 -82.8 116.8 5.2 1.1 32.4 30 47 T I E - 0 0 18 4,-1.9 2,-0.3 -2,-0.7 -1,-0.2 0.615 67.9 -13.6 -98.6 -15.1 8.5 -0.5 31.4 31 48 T N E > S- L 0 34C 46 3,-1.1 3,-0.6 70,-0.1 -1,-0.2 -0.938 91.0 -69.9-167.0 180.0 9.3 -1.8 34.9 32 49 T S T 3 S+ 0 0 48 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.668 128.0 23.1 -60.0 -17.6 8.2 -1.5 38.5 33 50 T Q T 3 S+ 0 0 54 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.417 109.3 74.0-131.3 5.8 9.5 2.1 38.9 34 51 T W E < -LM 31 89C 8 -3,-0.6 -4,-1.9 55,-0.2 -3,-1.1 -0.961 46.9-171.6-129.7 142.9 9.8 3.6 35.5 35 52 T V E -LM 29 88C 0 53,-2.6 53,-3.0 -2,-0.4 2,-0.4 -0.961 12.0-149.6-126.8 140.7 7.5 5.0 32.9 36 53 T V E +LM 28 87C 0 -8,-2.5 -8,-2.3 -2,-0.4 2,-0.2 -0.931 31.2 146.3-111.8 135.4 8.2 6.1 29.3 37 54 T S E - M 0 86C 0 49,-2.4 49,-2.3 -2,-0.4 2,-0.3 -0.757 50.5 -63.9-146.7-167.0 6.2 8.9 27.7 38 55 T A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.2 -0.682 33.4-133.6 -91.6 145.5 6.6 11.8 25.3 39 56 T A G > S+ 0 0 3 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.827 106.0 63.8 -65.2 -31.4 9.0 14.7 26.1 40 57 T H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.552 93.2 64.4 -73.0 -1.1 6.3 17.2 25.0 41 58 T b G < S+ 0 0 4 -3,-1.5 -1,-0.3 2,-0.0 -2,-0.2 0.347 75.5 134.9 -96.2 2.3 4.2 15.9 27.9 42 59 T Y < + 0 0 139 -3,-2.0 2,-0.3 -5,-0.0 -3,-0.0 -0.261 21.2 143.7 -56.7 138.7 6.7 17.2 30.3 43 60 T K - 0 0 58 3,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.949 46.2-108.3-168.7 154.8 5.3 19.0 33.3 44 61 T S S S+ 0 0 94 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.569 94.8 35.1 -90.4 158.7 6.0 19.4 37.0 45 62 T G S S+ 0 0 71 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.923 78.2 174.3 67.2 45.8 3.8 17.8 39.7 46 63 T I - 0 0 7 -3,-0.3 21,-2.2 21,-0.1 2,-0.5 -0.696 18.1-164.9 -90.0 134.6 3.0 14.7 37.7 47 64 T Q E -KN 19 66C 51 -28,-2.1 -28,-2.7 -2,-0.4 2,-0.5 -0.981 14.9-141.3-117.4 126.9 1.1 11.8 39.3 48 65 T V E -KN 18 65C 0 17,-3.3 17,-2.7 -2,-0.5 2,-0.6 -0.762 11.3-158.5 -91.8 129.4 1.1 8.5 37.5 49 66 T R E -KN 17 64C 54 -32,-2.7 -32,-2.0 -2,-0.5 3,-0.3 -0.928 13.3-177.9-113.8 114.3 -2.1 6.5 37.5 50 67 T L E + N 0 63C 3 13,-2.8 13,-1.6 -2,-0.6 -34,-0.1 -0.668 60.2 32.6-106.3 161.3 -1.8 2.8 36.9 51 69 T G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.734 85.1 155.6 67.0 24.5 -4.5 0.1 36.5 52 70 T E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.521 22.6 146.6 -88.0 147.9 -6.9 2.6 35.0 53 71 T D S S+ 0 0 14 4,-0.2 2,-1.0 1,-0.2 82,-0.2 0.249 81.0 32.3-134.7 -76.7 -9.9 2.0 32.7 54 72 T N S > S- 0 0 29 3,-0.2 3,-1.6 80,-0.2 80,-0.2 -0.749 72.4-161.9 -86.8 106.5 -12.5 4.7 33.5 55 73 T I T 3 S+ 0 0 29 78,-2.4 -1,-0.2 -2,-1.0 79,-0.1 0.557 85.5 52.0 -67.8 -3.9 -10.4 7.6 34.6 56 74 T N T 3 S+ 0 0 123 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.377 104.4 58.5-110.8 3.1 -13.3 9.4 36.3 57 75 T V S < S- 0 0 77 -3,-1.6 2,-0.7 76,-0.2 -4,-0.2 -0.994 78.9-127.9-136.1 127.9 -14.5 6.5 38.6 58 76 T V + 0 0 119 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.649 32.5 173.3 -75.8 114.6 -12.4 4.6 41.2 59 77 T E - 0 0 95 -2,-0.7 -1,-0.2 -5,-0.1 -7,-0.0 0.531 48.8-103.2-102.2 -8.8 -12.9 1.0 40.2 60 78 T G S S+ 0 0 60 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.312 102.1 77.5 109.4 -11.4 -10.6 -0.8 42.6 61 79 T N + 0 0 57 -10,-0.3 -9,-0.1 38,-0.0 38,-0.0 0.376 66.9 117.8-112.0 4.6 -7.5 -1.7 40.6 62 80 T E - 0 0 34 -13,-0.0 2,-0.4 -11,-0.0 -11,-0.2 -0.257 42.2-166.3 -73.4 157.8 -5.8 1.7 40.5 63 81 T Q E -N 50 0C 34 -13,-1.6 -13,-2.8 2,-0.1 2,-0.6 -0.961 7.7-160.5-142.4 118.7 -2.4 2.6 41.9 64 82 T F E +N 49 0C 85 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.937 18.0 170.5-107.5 120.4 -1.7 6.4 42.1 65 83 T I E -N 48 0C 13 -17,-2.7 -17,-3.3 -2,-0.6 2,-0.1 -0.996 27.2-129.6-135.2 132.5 2.0 7.2 42.5 66 84 T S E -N 47 0C 52 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.406 27.2-113.2 -76.6 152.8 3.8 10.5 42.3 67 85 T A E -O 90 0C 18 -21,-2.2 23,-0.2 23,-0.2 3,-0.1 -0.649 23.9-172.5 -84.8 141.3 6.9 11.1 40.1 68 86 T S E S+ 0 0 59 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.693 72.3 13.1-103.2 -27.5 10.1 11.7 41.9 69 87 T K E -O 89 0C 90 20,-1.2 20,-2.9 2,-0.0 2,-0.4 -0.995 58.6-160.1-152.2 142.5 12.2 12.5 38.8 70 88 T S E -O 88 0C 45 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.981 6.8-169.0-124.4 135.6 11.6 13.4 35.2 71 89 T I E -O 87 0C 35 16,-2.9 16,-2.7 -2,-0.4 2,-0.3 -0.913 4.6-162.1-130.8 105.3 14.3 13.0 32.5 72 90 T V E -O 86 0C 48 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.623 42.9 -88.2 -82.2 142.9 13.6 14.5 29.0 73 91 T H > - 0 0 24 12,-2.1 3,-1.7 -2,-0.3 -1,-0.1 -0.207 35.8-123.3 -51.4 136.9 15.9 13.2 26.3 74 92 T P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.751 108.8 40.8 -55.8 -25.9 19.1 15.3 26.1 75 93 T S T 3 S+ 0 0 76 8,-0.1 -2,-0.1 2,-0.1 7,-0.1 0.160 78.5 145.0-111.7 19.1 18.5 16.1 22.4 76 94 T Y < - 0 0 58 -3,-1.7 2,-0.6 9,-0.1 7,-0.2 -0.338 32.6-160.4 -58.8 132.0 14.7 16.8 22.5 77 95 T N B >> -P 82 0D 68 5,-2.2 4,-2.6 1,-0.1 5,-0.7 -0.950 6.2-164.5-118.1 107.7 13.8 19.6 20.0 78 96 T S T 45S+ 0 0 80 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.680 86.6 56.6 -66.6 -17.6 10.3 21.0 20.9 79 97 T N T 45S+ 0 0 133 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.853 124.0 19.8 -82.4 -36.5 10.0 22.7 17.5 80 98 T T T 45S- 0 0 54 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.563 96.9-129.8-106.3 -14.3 10.5 19.6 15.4 81 99 T L T ><5 + 0 0 33 -4,-2.6 3,-0.8 1,-0.3 2,-0.3 0.744 49.1 161.1 67.9 24.9 9.6 17.0 18.1 82 100 T N B 3 < +P 77 0D 34 -5,-0.7 -5,-2.2 1,-0.3 -1,-0.3 -0.601 67.8 16.2 -75.0 137.8 12.8 15.1 17.2 83 101 T N T 3 S+ 0 0 20 -2,-0.3 2,-1.9 -7,-0.2 -1,-0.3 0.903 80.7 177.6 63.5 44.8 13.7 12.8 20.1 84 102 T D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.558 35.0 111.8 -82.7 79.0 10.2 13.1 21.7 85 103 T I - 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