==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-JAN-02 1KR4 . COMPND 2 MOLECULE: PROTEIN TM1056, CUTA; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR A.SAVCHENKO,R.ZHANG,A.JOACHIMIAK,A.EDWARDS,T.AKARINA,MIDWEST . 110 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7195.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 71 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 28.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 0 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 A A 0 0 118 0, 0.0 96,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 176.8 7.0 80.3 76.2 2 1 A L + 0 0 130 1,-0.2 95,-2.3 95,-0.1 96,-0.4 0.863 360.0 0.0 -61.8 -36.5 7.6 79.3 72.6 3 2 A Y E +A 96 0A 132 93,-0.3 2,-0.3 94,-0.1 93,-0.2 -0.970 68.3 174.4-149.3 159.9 5.5 76.2 73.2 4 3 A F E -A 95 0A 59 91,-2.0 91,-2.0 -2,-0.3 96,-0.0 -0.920 51.0 -79.2-156.0 178.6 3.5 74.6 76.0 5 4 A X + 0 0 130 -2,-0.3 3,-0.4 89,-0.2 91,-0.1 0.883 65.3 176.2 -54.0 -44.3 1.2 71.7 76.8 6 5 A G - 0 0 19 1,-0.2 -1,-0.1 89,-0.1 91,-0.0 -0.072 41.5 -95.9 65.5-171.1 -1.8 73.5 75.3 7 6 A H + 0 0 34 2,-0.1 59,-2.3 93,-0.0 60,-0.3 -0.217 69.5 135.6-140.3 45.0 -5.2 71.9 75.0 8 7 A X E -B 65 0B 20 -3,-0.4 84,-0.5 57,-0.2 2,-0.3 -0.676 32.5-164.4 -94.4 148.3 -5.3 70.6 71.4 9 8 A I E -B 64 0B 11 55,-2.3 55,-1.9 -2,-0.3 2,-0.5 -0.934 10.0-145.4-128.6 154.9 -6.6 67.2 70.5 10 9 A L E -BC 63 90B 39 80,-1.1 80,-2.8 -2,-0.3 2,-0.4 -0.991 13.6-166.3-123.2 121.9 -6.0 65.3 67.2 11 10 A V E -BC 62 89B 0 51,-2.5 51,-3.4 -2,-0.5 2,-0.4 -0.933 5.1-161.2-112.0 135.0 -8.9 63.2 66.0 12 11 A Y E +BC 61 88B 50 76,-2.8 76,-1.6 -2,-0.4 2,-0.3 -0.898 18.7 152.6-117.8 143.2 -8.3 60.6 63.2 13 12 A S E -BC 60 87B 0 47,-1.7 47,-2.2 -2,-0.4 2,-0.3 -0.970 30.2-129.5-157.8 164.3 -10.8 58.9 60.9 14 13 A T E -B 59 0B 16 72,-0.6 45,-0.2 -2,-0.3 72,-0.2 -0.918 17.5-163.4-123.9 152.3 -10.9 57.4 57.5 15 14 A F E -B 58 0B 0 43,-2.9 43,-2.5 -2,-0.3 6,-0.1 -0.916 31.6-112.8-132.6 156.3 -13.3 57.9 54.6 16 15 A P S S- 0 0 44 0, 0.0 2,-0.3 0, 0.0 40,-0.1 0.746 91.5 -4.8 -61.3 -26.5 -14.2 56.1 51.4 17 16 A N S > S- 0 0 61 41,-0.2 4,-1.9 1,-0.1 41,-0.2 -0.973 72.4 -96.0-160.2 172.3 -12.9 58.8 49.1 18 17 A E H > S+ 0 0 82 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.908 117.5 55.9 -60.0 -46.2 -11.3 62.2 48.7 19 18 A E H > S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.915 110.0 43.5 -54.2 -50.5 -14.7 63.9 48.0 20 19 A K H > S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.869 112.3 53.1 -66.6 -38.2 -16.3 62.7 51.2 21 20 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.933 113.9 42.3 -63.0 -45.4 -13.2 63.5 53.4 22 21 A L H X S+ 0 0 66 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.880 112.7 53.4 -69.1 -39.6 -13.1 67.0 52.1 23 22 A E H X S+ 0 0 74 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.926 112.7 43.3 -62.1 -46.4 -16.9 67.5 52.3 24 23 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.897 111.5 54.5 -68.0 -38.9 -17.0 66.4 56.0 25 24 A G H X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.923 109.7 48.3 -59.4 -42.2 -13.9 68.5 56.8 26 25 A R H X S+ 0 0 110 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.894 109.8 51.3 -64.4 -42.0 -15.7 71.5 55.3 27 26 A K H X S+ 0 0 63 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.858 108.6 51.8 -64.8 -34.7 -18.8 70.8 57.3 28 27 A L H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 6,-0.8 0.860 110.4 48.5 -69.6 -35.0 -16.8 70.5 60.5 29 28 A L H ><5S+ 0 0 62 -4,-1.7 3,-1.9 3,-0.2 -2,-0.2 0.896 105.8 57.9 -70.1 -40.5 -15.2 73.9 59.8 30 29 A E H 3<5S+ 0 0 120 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.859 109.9 44.6 -57.1 -36.5 -18.5 75.5 59.1 31 30 A K T 3<5S- 0 0 80 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.299 111.9-121.4 -92.3 10.0 -19.7 74.5 62.6 32 31 A R T < 5S+ 0 0 90 -3,-1.9 -3,-0.2 78,-0.2 -2,-0.1 0.844 75.1 128.6 54.3 37.5 -16.4 75.6 64.2 33 32 A L S -D 51 0B 161 3,-2.4 3,-1.0 -2,-0.3 -2,-0.0 -0.854 68.9 -18.7-153.2 111.8 -14.6 41.7 56.1 49 48 A K T 3 S- 0 0 181 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.911 128.4 -48.2 57.2 46.0 -17.0 38.8 56.0 50 49 A G T 3 S+ 0 0 64 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.520 121.0 94.1 76.9 5.9 -14.3 36.3 56.9 51 50 A E E < S- D 0 48B 138 -3,-1.0 -3,-2.4 -5,-0.0 2,-0.6 -0.961 75.4-117.3-133.5 150.7 -11.7 37.5 54.4 52 51 A I E - D 0 47B 121 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.736 40.4-169.9 -83.8 123.0 -8.8 39.9 54.4 53 52 A V E - D 0 46B 42 -7,-2.6 -7,-1.4 -2,-0.6 2,-0.4 -0.821 18.9-138.8-117.9 156.9 -9.6 42.8 52.0 54 53 A Q E + D 0 45B 134 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.880 28.0 177.5-109.0 142.8 -7.5 45.6 50.5 55 54 A D E - D 0 44B 53 -11,-2.7 -11,-2.6 -2,-0.4 2,-0.5 -0.928 26.7-135.3-143.4 164.3 -9.1 49.0 50.2 56 55 A K E + D 0 43B 114 -2,-0.3 2,-0.2 -13,-0.2 -13,-0.2 -0.996 39.9 148.7-122.6 126.8 -8.3 52.5 49.1 57 56 A E E - D 0 42B 12 -15,-2.4 -15,-2.7 -2,-0.5 2,-0.4 -0.767 43.7-110.2-142.7-174.1 -9.5 55.4 51.3 58 57 A W E -BD 15 41B 52 -43,-2.5 -43,-2.9 -17,-0.2 -17,-0.2 -0.999 27.5-156.9-128.5 125.9 -8.7 58.9 52.5 59 58 A A E -BD 14 40B 0 -19,-3.0 -19,-2.2 -2,-0.4 2,-0.3 -0.616 8.9-167.2 -96.7 161.1 -7.6 59.5 56.0 60 59 A A E -BD 13 39B 0 -47,-2.2 -47,-1.7 -21,-0.2 2,-0.5 -0.988 14.7-151.3-151.3 139.3 -7.9 62.8 57.8 61 60 A I E -BD 12 38B 34 -23,-2.6 -23,-2.1 -2,-0.3 2,-0.5 -0.949 17.0-153.2-110.4 132.9 -6.6 64.2 61.0 62 61 A F E -BD 11 37B 0 -51,-3.4 -51,-2.5 -2,-0.5 2,-0.5 -0.930 2.8-155.3-109.8 127.7 -8.8 66.9 62.7 63 62 A K E +BD 10 36B 40 -27,-2.6 -28,-3.0 -2,-0.5 -27,-1.2 -0.898 35.2 126.8-106.5 122.5 -7.2 69.5 64.8 64 63 A T E -B 9 0B 0 -55,-1.9 -55,-2.3 -2,-0.5 2,-0.2 -0.818 54.5 -77.0-152.7-168.7 -9.3 71.1 67.5 65 64 A T E > -B 8 0B 6 -57,-0.2 3,-1.7 -2,-0.2 4,-0.4 -0.674 37.7-112.7-102.3 159.3 -9.5 71.9 71.2 66 65 A E G > S+ 0 0 100 -59,-2.3 3,-1.0 1,-0.3 4,-0.4 0.811 115.7 63.7 -57.4 -30.6 -10.3 69.6 74.1 67 66 A E G 3 S+ 0 0 117 -60,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.733 103.2 47.6 -66.9 -22.9 -13.5 71.6 74.6 68 67 A K G <> S+ 0 0 26 -3,-1.7 4,-2.9 1,-0.1 -1,-0.2 0.442 83.2 97.6 -97.7 -2.2 -14.8 70.5 71.2 69 68 A E H <> S+ 0 0 60 -3,-1.0 4,-2.6 -4,-0.4 5,-0.2 0.912 83.8 45.7 -54.7 -51.2 -14.1 66.8 71.5 70 69 A K H > S+ 0 0 145 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.933 116.8 45.3 -59.4 -47.8 -17.5 65.6 72.5 71 70 A E H > S+ 0 0 90 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.887 111.5 53.6 -63.3 -39.7 -19.2 67.8 69.8 72 71 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.933 108.5 48.5 -61.8 -47.0 -16.7 66.7 67.2 73 72 A Y H X S+ 0 0 71 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.897 112.3 49.8 -60.7 -39.6 -17.3 63.0 67.9 74 73 A E H X S+ 0 0 103 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.907 112.2 46.2 -66.9 -40.6 -21.1 63.6 67.7 75 74 A E H X S+ 0 0 16 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.877 113.3 49.5 -70.2 -36.2 -20.8 65.4 64.4 76 75 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.891 109.9 50.7 -68.7 -38.5 -18.5 62.8 62.9 77 76 A R H < S+ 0 0 122 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.853 112.1 50.0 -64.8 -33.9 -20.9 60.0 64.0 78 77 A K H < S+ 0 0 136 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.919 119.5 33.4 -69.3 -46.0 -23.7 62.0 62.3 79 78 A L H < S+ 0 0 31 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.594 86.7 117.0 -90.2 -13.2 -21.9 62.5 59.0 80 79 A H < - 0 0 14 -4,-2.0 -65,-0.1 -5,-0.2 -4,-0.0 -0.354 52.1-153.5 -67.0 130.7 -19.9 59.3 58.6 81 80 A P S S+ 0 0 63 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.753 74.0 83.5 -71.0 -23.0 -20.7 57.1 55.7 82 81 A Y S S- 0 0 57 1,-0.1 -2,-0.1 4,-0.1 -67,-0.0 -0.558 73.1-142.1 -84.4 146.9 -19.5 54.0 57.5 83 82 A E S S+ 0 0 172 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.1 0.908 103.0 21.1 -70.5 -42.0 -21.6 52.0 60.0 84 83 A T S S- 0 0 123 -3,-0.0 -1,-0.3 2,-0.0 2,-0.0 -0.629 89.8-176.8-127.1 72.0 -18.6 51.4 62.3 85 84 A P - 0 0 21 0, 0.0 2,-0.6 0, 0.0 -70,-0.1 -0.279 32.4-109.2 -71.9 155.5 -16.0 54.1 61.4 86 85 A A + 0 0 44 -72,-0.2 -72,-0.6 2,-0.0 2,-0.3 -0.747 49.6 159.2 -83.1 121.3 -12.6 54.5 62.9 87 86 A I E +C 13 0B 36 -2,-0.6 2,-0.3 -74,-0.2 -74,-0.2 -0.908 8.0 143.3-146.9 116.1 -12.6 57.5 65.1 88 87 A F E -C 12 0B 88 -76,-1.6 -76,-2.8 -2,-0.3 2,-0.4 -0.978 39.0-122.8-151.1 161.1 -10.0 58.0 67.8 89 88 A T E -C 11 0B 55 -2,-0.3 2,-0.3 -78,-0.2 -78,-0.2 -0.888 16.6-149.2-112.8 138.7 -8.0 60.8 69.5 90 89 A L E -C 10 0B 86 -80,-2.8 -80,-1.1 -2,-0.4 2,-0.4 -0.772 27.3-106.3-103.1 151.4 -4.2 61.0 69.8 91 90 A K - 0 0 159 -2,-0.3 2,-0.6 -82,-0.1 -82,-0.1 -0.629 24.9-156.2 -81.7 125.6 -2.4 62.6 72.7 92 91 A V - 0 0 32 -84,-0.5 -84,-0.1 -2,-0.4 3,-0.1 -0.902 10.7-178.0-102.2 119.6 -0.7 66.0 72.0 93 92 A E + 0 0 120 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.815 64.9 2.5 -86.3 -36.7 2.1 66.7 74.4 94 93 A N - 0 0 86 -91,-0.0 2,-0.3 -87,-0.0 -89,-0.2 -0.963 60.2-169.4-147.4 161.8 3.2 70.2 73.4 95 94 A I E -A 4 0A 22 -91,-2.0 -91,-2.0 -2,-0.3 2,-0.1 -0.984 38.2 -94.7-156.7 142.9 2.2 72.8 70.8 96 95 A L E > -A 3 0A 83 -2,-0.3 4,-2.4 -93,-0.2 3,-0.3 -0.412 39.1-133.5 -57.4 127.1 3.7 76.1 69.5 97 96 A T H > S+ 0 0 32 -95,-2.3 4,-2.0 1,-0.2 5,-0.2 0.888 102.7 50.0 -53.7 -47.2 2.0 78.7 71.6 98 97 A E H > S+ 0 0 158 -96,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.869 111.3 50.2 -61.7 -36.2 1.0 81.0 68.7 99 98 A Y H > S+ 0 0 61 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.912 106.9 53.9 -68.4 -41.5 -0.5 78.1 66.9 100 99 A X H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.899 108.0 51.1 -58.8 -39.4 -2.5 77.1 70.0 101 100 A N H X S+ 0 0 71 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.914 109.4 50.2 -64.2 -40.2 -3.8 80.7 70.0 102 101 A W H X S+ 0 0 109 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.867 109.0 52.1 -64.8 -37.8 -4.8 80.3 66.4 103 102 A L H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.936 110.4 48.2 -63.5 -46.2 -6.6 77.0 67.1 104 103 A R H >< S+ 0 0 116 -4,-2.3 3,-0.6 1,-0.2 4,-0.4 0.931 113.7 46.0 -60.4 -47.5 -8.6 78.6 69.9 105 104 A E H >< S+ 0 0 127 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.884 109.6 56.9 -63.0 -38.7 -9.6 81.6 67.8 106 105 A S H 3< S+ 0 0 19 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.738 111.3 41.0 -66.8 -25.2 -10.5 79.3 64.9 107 106 A V T << S+ 0 0 6 -4,-1.3 2,-0.4 -3,-0.6 -1,-0.2 0.327 82.4 119.8-106.3 8.0 -13.0 77.3 66.9 108 107 A L S < S+ 0 0 139 -3,-1.0 2,-0.3 -4,-0.4 -75,-0.0 -0.600 72.1 13.8 -73.1 126.0 -14.6 80.2 68.8 109 108 A G 0 0 44 -2,-0.4 -78,-0.0 -77,-0.1 -3,-0.0 -0.772 360.0 360.0 113.6-157.8 -18.2 80.2 67.9 110 109 A S 0 0 131 -2,-0.3 -78,-0.2 -80,-0.1 -77,-0.0 -0.835 360.0 360.0-149.6 360.0 -20.5 77.7 66.2