==== 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 1V2O . 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) . 9313.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 60.1 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 . 19 8.5 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,-0.4 0.000 360.0 360.0 360.0 121.4 -7.8 8.6 19.6 2 17 T V B +A 171 0A 10 169,-3.1 169,-1.8 1,-0.2 123,-0.1 -0.854 360.0 4.5-101.7 131.6 -10.0 9.5 16.6 3 18 T G S S+ 0 0 39 121,-0.6 -1,-0.2 -2,-0.5 2,-0.1 0.758 102.2 121.6 71.1 25.9 -11.7 6.7 14.7 4 19 T G - 0 0 35 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.074 55.6-112.6-101.6-156.6 -10.5 4.0 17.1 5 20 T Y E -B 137 0B 91 132,-2.6 132,-3.5 -3,-0.1 2,-0.4 -0.955 34.9 -88.1-140.9 157.7 -12.2 1.4 19.3 6 21 T T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.549 36.1-150.1 -67.9 120.5 -12.6 0.7 23.0 7 22 T a - 0 0 18 128,-1.8 -1,-0.2 -2,-0.4 129,-0.1 0.903 35.9-112.5 -58.1 -48.1 -9.6 -1.4 24.0 8 23 T G > - 0 0 26 127,-0.5 3,-1.8 -3,-0.0 4,-0.3 0.016 48.4 -56.8 114.7 135.9 -11.2 -3.3 26.8 9 24 T A T 3 S- 0 0 58 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.158 117.2 -11.8 -49.9 124.3 -10.3 -3.0 30.5 10 25 T N T 3 S+ 0 0 36 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.670 90.1 126.7 59.4 24.5 -6.6 -3.6 31.2 11 26 T T S < S+ 0 0 85 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.554 75.2 50.7 -85.0 -7.5 -5.8 -5.1 27.8 12 27 T V S > S+ 0 0 7 -4,-0.3 3,-2.0 87,-0.1 -1,-0.3 -0.659 72.8 173.9-126.9 70.4 -3.0 -2.6 27.4 13 28 T P T 3 S+ 0 0 33 0, 0.0 88,-1.1 0, 0.0 38,-0.3 0.604 72.6 56.8 -55.1 -19.0 -1.2 -3.2 30.8 14 29 T Y T 3 S+ 0 0 22 86,-0.2 15,-2.1 88,-0.1 2,-0.3 0.490 80.3 110.0 -94.3 -5.2 1.7 -0.9 30.1 15 30 T Q E < -J 28 0C 8 -3,-2.0 36,-0.4 13,-0.2 37,-0.4 -0.530 48.1-173.4 -73.8 131.6 -0.4 2.1 29.4 16 31 T V E -J 27 0C 0 11,-2.4 11,-1.1 -2,-0.3 2,-0.5 -0.883 19.0-139.4-124.3 157.9 -0.1 4.8 32.1 17 32 T S E -JK 26 49C 1 32,-2.1 32,-2.7 -2,-0.3 2,-0.6 -0.968 13.9-143.2-114.9 130.5 -1.9 8.1 32.7 18 33 T L E -JK 25 48C 0 7,-3.1 6,-2.4 -2,-0.5 7,-1.0 -0.861 25.0-168.0 -94.7 124.2 0.1 11.1 33.8 19 34 T N E +JK 23 47C 22 28,-2.7 28,-2.4 -2,-0.6 4,-0.2 -0.944 31.2 166.9-122.5 132.5 -2.0 13.1 36.3 20 37 T S S S- 0 0 30 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.280 97.5 -46.9-131.4 43.8 -1.5 16.6 37.7 21 38 T G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.169 140.4 27.9 107.2 -11.2 -4.9 16.9 39.2 22 39 T Y S S- 0 0 131 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.948 102.0 -81.1-168.5 158.4 -6.3 15.7 35.9 23 40 T H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.547 51.9 155.9 -70.0 130.9 -5.1 13.4 33.0 24 41 T F E + 0 0 29 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.550 58.8 8.1-132.0 -15.0 -2.8 15.4 30.7 25 42 T b E -J 18 0C 7 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.4 -0.986 62.2-123.8-162.0 159.6 -0.6 12.8 28.9 26 43 T G E +J 17 0C 1 151,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.424 27.6 176.6 -98.9 179.7 -0.0 9.1 28.4 27 44 T G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.1 2,-0.4 -0.962 24.3-116.2-170.5 172.3 3.1 7.1 29.0 28 45 T S E -JL 15 36C 0 8,-2.5 8,-2.6 -2,-0.3 2,-0.6 -0.989 18.5-131.7-129.3 134.5 4.5 3.6 29.0 29 46 T L E + L 0 35C 1 -15,-2.1 74,-2.3 -2,-0.4 6,-0.2 -0.729 26.4 173.5 -83.1 119.8 5.8 1.5 31.9 30 47 T I E - 0 0 19 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.549 67.3 -8.5-104.8 -10.2 9.1 -0.0 30.9 31 48 T N E > S- L 0 34C 40 3,-1.1 3,-0.9 70,-0.1 -1,-0.3 -0.940 90.7 -75.1-169.1 173.5 10.0 -1.6 34.2 32 49 T S T 3 S+ 0 0 48 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.696 128.1 24.0 -56.1 -20.7 8.7 -1.6 37.8 33 50 T Q T 3 S+ 0 0 55 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.380 109.9 73.6-129.0 7.7 10.1 1.9 38.6 34 51 T W E < -LM 31 89C 8 -3,-0.9 -4,-2.2 55,-0.2 -3,-1.1 -0.975 46.9-173.3-132.3 140.5 10.4 3.7 35.2 35 52 T V E -LM 29 88C 0 53,-2.7 53,-3.0 -2,-0.4 2,-0.4 -0.950 12.2-149.9-125.5 142.1 8.0 5.3 32.8 36 53 T V E +LM 28 87C 1 -8,-2.6 -8,-2.5 -2,-0.4 2,-0.2 -0.931 29.7 146.6-113.7 139.0 8.7 6.8 29.3 37 54 T S E - M 0 86C 0 49,-2.6 49,-2.2 -2,-0.4 2,-0.3 -0.717 50.4 -61.3-146.8-164.0 6.7 9.6 27.9 38 55 T A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.722 33.9-133.0 -94.2 143.6 7.1 12.6 25.6 39 56 T A G > S+ 0 0 2 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.822 106.4 63.8 -62.6 -31.3 9.4 15.5 26.6 40 57 T H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.589 93.2 64.5 -71.8 -4.2 6.6 18.0 25.7 41 58 T b G < S+ 0 0 4 -3,-1.6 -1,-0.3 -15,-0.0 -2,-0.2 0.408 75.6 135.4 -93.4 0.2 4.6 16.4 28.5 42 59 T Y < + 0 0 139 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.208 20.4 139.4 -55.3 136.4 7.1 17.6 31.1 43 60 T K - 0 0 61 3,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.953 47.1-108.1-169.7 157.1 5.7 19.2 34.2 44 61 T S S S+ 0 0 96 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.592 93.4 38.0 -93.2 158.6 6.3 19.2 38.0 45 62 T G S S+ 0 0 70 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.892 77.6 171.5 71.5 41.2 4.0 17.5 40.5 46 63 T I - 0 0 8 -3,-0.3 21,-2.3 -26,-0.1 2,-0.5 -0.671 19.9-165.6 -89.1 135.5 3.3 14.4 38.4 47 64 T Q E -KN 19 66C 50 -28,-2.4 -28,-2.7 -2,-0.3 2,-0.5 -0.985 15.7-140.7-117.7 127.7 1.5 11.4 39.7 48 65 T V E -KN 18 65C 0 17,-3.1 17,-2.7 -2,-0.5 2,-0.6 -0.761 12.2-158.0 -90.9 130.5 1.6 8.2 37.6 49 66 T R E -KN 17 64C 54 -32,-2.7 -32,-2.1 -2,-0.5 3,-0.3 -0.938 13.2-176.7-114.6 116.2 -1.6 6.2 37.4 50 67 T L E + N 0 63C 3 13,-2.8 13,-1.7 -2,-0.6 -34,-0.1 -0.679 59.7 30.7-107.3 161.3 -1.3 2.5 36.5 51 69 T G S S+ 0 0 8 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.740 84.8 155.1 65.5 25.0 -3.9 -0.2 35.9 52 70 T E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.528 22.9 149.0 -88.1 148.0 -6.4 2.4 34.6 53 71 T D S S+ 0 0 15 1,-0.3 2,-0.9 4,-0.2 82,-0.2 0.301 80.8 32.2-132.7 -75.5 -9.3 2.0 32.3 54 72 T N S > S- 0 0 29 3,-0.2 3,-1.2 80,-0.2 -1,-0.3 -0.775 72.8-161.4 -86.7 111.5 -12.0 4.5 33.3 55 73 T I T 3 S+ 0 0 29 78,-2.6 -1,-0.1 -2,-0.9 79,-0.1 0.509 85.4 52.3 -73.7 -1.3 -9.9 7.4 34.6 56 74 T N T 3 S+ 0 0 120 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.392 104.8 58.4-111.4 1.9 -12.8 9.0 36.5 57 75 T V S < S- 0 0 77 -3,-1.2 2,-0.7 76,-0.2 -4,-0.2 -0.991 78.8-127.3-135.9 128.5 -13.9 5.9 38.4 58 76 T V + 0 0 118 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.629 33.1 173.7 -73.8 115.2 -11.9 3.8 40.9 59 77 T E - 0 0 100 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.543 49.2-100.5-103.1 -9.3 -12.3 0.3 39.5 60 78 T G S S+ 0 0 59 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.265 103.8 74.4 114.5 -15.4 -10.0 -1.7 41.7 61 79 T N + 0 0 66 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.310 67.3 121.0-113.7 9.6 -6.8 -2.4 39.8 62 80 T E - 0 0 36 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.341 40.2-167.1 -77.1 154.4 -5.2 1.1 40.0 63 81 T Q E -N 50 0C 36 -13,-1.7 -13,-2.8 -2,-0.1 2,-0.6 -0.967 6.9-161.3-139.4 116.8 -1.9 2.0 41.5 64 82 T F E +N 49 0C 82 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.914 17.4 170.3-105.1 118.5 -1.2 5.7 42.1 65 83 T I E -N 48 0C 14 -17,-2.7 -17,-3.1 -2,-0.6 2,-0.1 -0.990 27.3-130.6-134.5 128.6 2.5 6.5 42.5 66 84 T S E -N 47 0C 50 -2,-0.4 25,-2.7 -19,-0.3 26,-0.3 -0.414 27.3-113.5 -74.6 149.6 4.2 9.9 42.6 67 85 T A E -O 90 0C 20 -21,-2.3 23,-0.3 23,-0.2 3,-0.1 -0.609 23.6-172.3 -82.6 142.2 7.2 10.7 40.4 68 86 T S E S+ 0 0 63 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.666 71.8 12.1-105.4 -24.7 10.5 11.3 42.2 69 87 T K E -O 89 0C 90 20,-1.2 20,-2.9 2,-0.0 2,-0.4 -0.980 57.8-160.9-155.9 140.0 12.6 12.4 39.2 70 88 T S E -O 88 0C 41 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.978 7.1-167.0-122.7 135.7 11.9 13.4 35.6 71 89 T I E -O 87 0C 35 16,-3.1 16,-2.7 -2,-0.4 2,-0.3 -0.927 4.4-160.7-128.8 107.5 14.6 13.4 32.9 72 90 T V E -O 86 0C 47 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.620 42.4 -88.8 -82.2 142.6 14.0 15.2 29.6 73 91 T H > - 0 0 23 12,-2.2 3,-1.8 10,-0.3 -1,-0.1 -0.225 34.7-124.8 -52.3 136.2 16.3 14.1 26.8 74 92 T P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.766 108.6 42.9 -55.9 -26.5 19.4 16.2 26.8 75 93 T S T 3 S+ 0 0 73 8,-0.1 -2,-0.1 2,-0.1 7,-0.1 0.188 78.6 144.0-107.6 16.9 18.9 17.3 23.1 76 94 T Y < - 0 0 60 -3,-1.8 2,-0.5 9,-0.1 7,-0.2 -0.324 31.9-162.5 -59.1 132.6 15.1 18.0 23.2 77 95 T N B >> -P 82 0D 69 5,-2.0 4,-2.6 1,-0.1 5,-0.5 -0.958 8.0-164.5-120.8 109.0 14.1 20.9 21.0 78 96 T S T 45S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.668 86.7 58.1 -67.6 -17.6 10.7 22.3 21.9 79 97 T N T 45S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.913 124.7 17.4 -78.5 -43.9 10.4 24.2 18.6 80 98 T T T 45S- 0 0 72 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.588 96.1-129.8-102.2 -14.4 10.8 21.2 16.3 81 99 T L T ><5 + 0 0 30 -4,-2.6 3,-0.9 1,-0.3 2,-0.2 0.664 48.8 161.1 69.6 19.3 10.0 18.4 18.8 82 100 T N B 3 < +P 77 0D 36 -5,-0.5 -5,-2.0 1,-0.3 -1,-0.3 -0.517 68.0 16.8 -69.4 138.5 13.2 16.6 17.8 83 101 T N T 3 S+ 0 0 18 1,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.889 80.3 176.6 64.2 41.9 14.1 14.1 20.6 84 102 T D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.527 34.2 114.8 -79.8 78.3 10.7 14.3 22.2 85 103 T I + 0 0 0 -2,-2.1 -12,-2.2 -47,-0.3 2,-0.3 -0.996 37.5 180.0-149.7 145.5 11.3 11.8 24.9 86 104 T M E -MO 37 72C 0 -49,-2.2 -49,-2.6 -2,-0.3 2,-0.4 -0.996 17.4-140.7-148.7 146.5 11.4 11.8 28.7 87 105 T L E -MO 36 71C 0 -16,-2.7 -16,-3.1 -2,-0.3 2,-0.4 -0.900 13.1-164.8-111.0 139.2 12.0 9.4 31.5 88 106 T I E -MO 35 70C 0 -53,-3.0 -53,-2.7 -2,-0.4 2,-0.4 -0.987 6.4-153.4-125.9 124.9 10.1 9.4 34.8 89 107 T K E -MO 34 69C 44 -20,-2.9 -21,-2.9 -2,-0.4 -20,-1.2 -0.837 17.6-131.7 -98.8 134.9 11.2 7.5 37.9 90 108 T L E - 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