==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 13-AUG-09 3IO0 . COMPND 2 MOLECULE: ETUB PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM KLUYVERI DSM 555; . AUTHOR R.W.PICKERSGILL,M.J.WARREN . 229 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 70.3 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 . 59 25.8 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.4 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 . 11 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 1 0 0 0 0 1 0 1 0 0 0 0 1 0 1 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 . 2 0 0 2 3 0 3 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 1 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 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 76 A P 0 0 189 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-168.9 108.1 77.4 62.8 2 77 A T - 0 0 118 4,-0.0 0, 0.0 2,-0.0 0, 0.0 -0.958 360.0-120.5-114.9 113.6 104.7 78.7 61.6 3 78 A M > - 0 0 138 -2,-0.6 3,-1.4 1,-0.1 0, 0.0 -0.130 13.9-129.7 -52.8 140.4 102.5 76.0 60.0 4 79 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 13,-0.0 15,-0.0 0.849 104.9 64.7 -67.9 -29.8 101.6 76.6 56.4 5 80 A E T 3 S+ 0 0 66 12,-0.1 13,-2.3 2,-0.0 -1,-0.3 0.626 84.5 95.0 -63.6 -19.6 97.9 76.0 57.2 6 81 A F E < +A 17 0A 86 -3,-1.4 11,-0.2 11,-0.2 -4,-0.0 -0.424 38.8 162.7 -74.8 153.8 97.8 79.0 59.5 7 82 A V E - 0 0 15 9,-1.3 2,-0.2 1,-0.6 10,-0.2 0.540 46.5 -84.7-140.0 -20.4 96.6 82.4 58.2 8 83 A G E -A 16 0A 13 8,-0.7 8,-4.8 2,-0.0 -1,-0.6 -0.670 31.5 -91.4 119.4 178.0 95.6 84.8 61.2 9 84 A T E -A 15 0A 97 6,-0.5 2,-0.3 -2,-0.2 6,-0.2 -0.470 21.2-178.0 121.5 105.0 93.4 86.0 63.5 10 85 A A E > -A 14 0A 15 4,-1.6 4,-1.5 -2,-0.2 94,-0.1 -0.906 46.6 -52.0-153.7-179.3 90.7 88.6 64.1 11 86 A G T 4 S+ 0 0 21 -2,-0.3 3,-0.4 92,-0.2 -1,-0.1 0.061 109.7 37.4 -60.5 172.9 88.4 89.7 66.9 12 87 A G T 4 S- 0 0 21 1,-0.2 2,-0.7 33,-0.1 -2,-0.1 -0.472 131.5 -62.5 63.6-161.8 86.2 87.3 68.8 13 88 A D T 4 S+ 0 0 82 -2,-0.1 2,-0.4 -4,-0.1 32,-0.3 -0.579 87.9 163.4-109.0 75.2 88.5 84.5 68.9 14 89 A T E < -A 10 0A 5 -4,-1.5 -4,-1.6 -2,-0.7 2,-0.3 -0.758 19.4-173.7-100.5 136.5 88.7 84.0 65.2 15 90 A V E -AB 9 43A 44 28,-2.7 28,-2.0 -2,-0.4 -6,-0.5 -0.939 15.8-146.3-116.0 149.7 91.2 82.1 63.1 16 91 A G E +AB 8 42A 0 -8,-4.8 -9,-1.3 -2,-0.3 -8,-0.7 -0.958 27.7 174.5-107.8 129.4 91.7 81.8 59.4 17 92 A L E -AB 6 41A 54 24,-2.0 24,-3.1 -2,-0.5 2,-0.4 -0.935 16.6-160.8-133.8 156.9 93.0 78.4 58.3 18 93 A V E - B 0 40A 5 -13,-2.3 2,-0.5 -2,-0.3 22,-0.2 -0.999 3.0-162.5-137.6 133.4 93.6 76.7 55.0 19 94 A I E - B 0 39A 65 20,-2.1 20,-2.7 -2,-0.4 3,-0.4 -0.987 6.6-159.6-117.2 125.9 94.0 73.0 54.2 20 95 A A S S+ 0 0 42 -2,-0.5 2,-0.3 1,-0.2 17,-0.2 0.922 80.9 8.4 -68.2 -50.0 95.6 72.2 50.9 21 96 A N S S- 0 0 95 17,-0.1 -1,-0.2 15,-0.1 17,-0.2 -0.686 78.7-145.3-140.4 83.6 94.5 68.7 50.2 22 97 A V - 0 0 7 15,-2.9 5,-0.1 -3,-0.4 -3,-0.0 -0.170 32.4-100.1 -58.6 133.3 91.9 67.4 52.7 23 98 A D > - 0 0 98 1,-0.1 3,-2.2 3,-0.1 4,-0.3 -0.276 29.9-124.7 -52.8 135.4 92.2 63.7 53.5 24 99 A S G >> S+ 0 0 79 1,-0.3 3,-1.0 2,-0.2 4,-0.6 0.716 105.9 70.1 -63.1 -22.6 89.7 61.8 51.4 25 100 A L G 34 S+ 0 0 133 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.732 101.6 47.3 -63.3 -21.8 88.2 60.2 54.5 26 101 A L G <> S+ 0 0 92 -3,-2.2 4,-1.9 1,-0.1 3,-0.3 0.488 88.7 87.4 -95.6 -6.4 86.8 63.6 55.4 27 102 A H T <4>S+ 0 0 16 -3,-1.0 5,-0.6 -4,-0.3 -2,-0.1 0.908 84.4 54.2 -62.4 -46.4 85.4 64.3 51.9 28 103 A K T <5S+ 0 0 164 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.851 110.2 48.8 -52.1 -38.3 82.1 62.6 52.6 29 104 A H T 45S+ 0 0 137 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.813 114.7 42.3 -82.2 -34.6 81.6 64.9 55.7 30 105 A L T <5S- 0 0 37 -4,-1.9 38,-0.1 -3,-0.1 37,-0.0 -0.522 108.7 -92.9 -95.4 176.6 82.4 68.2 54.1 31 106 A G T 5S+ 0 0 41 -2,-0.2 -3,-0.1 2,-0.0 -4,-0.1 0.416 82.2 140.1 -67.3 10.8 81.1 68.9 50.6 32 107 A L < + 0 0 15 -5,-0.6 2,-0.3 -6,-0.3 5,-0.2 0.003 28.1 165.1 -84.6 157.2 84.2 67.6 49.1 33 108 A D B > -E 36 0B 77 3,-1.5 3,-1.3 -5,-0.0 -1,-0.0 -0.876 51.9 -89.1-145.2-178.2 85.3 65.5 46.1 34 109 A N T 3 S+ 0 0 96 1,-0.3 3,-0.3 -2,-0.3 -2,-0.0 0.757 122.8 52.1 -74.7 -25.2 88.6 64.8 44.4 35 110 A T T 3 S+ 0 0 120 1,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.504 121.8 37.1 -79.6 -6.0 88.5 67.7 41.8 36 111 A C B < +E 33 0B 17 -3,-1.3 -3,-1.5 1,-0.1 -1,-0.3 -0.683 67.7 133.2-151.6 86.4 87.9 70.0 44.8 37 112 A R + 0 0 86 53,-0.3 -15,-2.9 -3,-0.3 2,-0.4 0.051 37.1 105.7-132.7 27.2 89.7 69.2 48.1 38 113 A S E - C 0 89A 2 51,-1.7 51,-2.1 -17,-0.2 2,-0.3 -0.926 51.0-155.9-114.3 145.9 91.1 72.4 49.4 39 114 A I E -BC 19 88A 4 -20,-2.7 -20,-2.1 -2,-0.4 2,-0.4 -0.850 16.5-163.1-127.9 140.1 89.5 74.1 52.4 40 115 A G E -BC 18 87A 0 47,-2.7 47,-3.2 -2,-0.3 2,-0.4 -0.998 19.9-161.7-121.7 132.7 89.3 77.6 53.9 41 116 A I E -BC 17 86A 21 -24,-3.1 -24,-2.0 -2,-0.4 2,-0.5 -0.940 19.8-176.2-121.6 133.3 88.2 77.9 57.5 42 117 A I E +BC 16 85A 2 43,-2.6 43,-3.1 -2,-0.4 2,-0.4 -0.992 22.5 169.6-118.4 119.3 86.8 80.8 59.5 43 118 A S E +BC 15 84A 41 -28,-2.0 -28,-2.7 -2,-0.5 2,-0.3 -0.997 2.9 169.9-133.0 134.1 86.4 79.6 63.1 44 119 A A E - C 0 83A 6 39,-2.3 39,-1.9 -2,-0.4 -30,-0.2 -0.993 36.6-146.3-147.9 154.7 85.6 81.8 66.2 45 120 A R S S+ 0 0 107 -2,-0.3 30,-1.7 -32,-0.3 2,-0.6 0.850 89.8 49.9 -83.3 -37.8 84.6 81.7 69.8 46 121 A V S S- 0 0 26 28,-0.1 36,-0.3 29,-0.1 -1,-0.2 -0.906 104.6 -11.3-117.8 117.4 82.5 84.9 69.8 47 122 A G - 0 0 9 34,-2.3 -3,-0.1 -2,-0.6 28,-0.1 -0.169 39.3-156.2 97.3 172.9 79.8 85.8 67.3 48 123 A A S > S+ 0 0 2 35,-0.1 4,-2.7 -2,-0.1 5,-0.2 0.347 82.3 58.2-154.1 -50.1 78.5 84.5 64.0 49 124 A P H > S+ 0 0 4 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.913 106.6 54.2 -58.5 -39.9 76.7 87.1 61.9 50 125 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 59,-0.2 0.940 113.0 40.9 -56.7 -50.8 79.8 89.3 61.9 51 126 A Q H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.887 113.3 55.0 -66.8 -38.9 82.1 86.6 60.6 52 127 A M H X S+ 0 0 3 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.928 106.6 51.6 -58.4 -45.3 79.3 85.5 58.1 53 128 A M H X S+ 0 0 4 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.953 112.2 46.0 -54.2 -52.6 79.3 89.1 56.8 54 129 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.874 114.0 48.1 -59.1 -41.0 83.0 89.0 56.3 55 130 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.827 107.9 54.3 -71.7 -31.1 82.9 85.5 54.7 56 131 A D H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.920 107.3 51.1 -69.0 -40.2 80.0 86.6 52.3 57 132 A E H X S+ 0 0 60 -4,-2.2 4,-0.8 -5,-0.2 -1,-0.2 0.895 109.1 55.3 -55.9 -39.4 82.2 89.5 51.2 58 133 A A H < S+ 0 0 0 -4,-1.5 3,-0.4 1,-0.2 4,-0.3 0.871 105.1 46.8 -65.7 -42.8 84.9 86.9 50.6 59 134 A V H >< S+ 0 0 8 -4,-1.9 3,-0.6 1,-0.2 5,-0.4 0.817 107.2 58.8 -73.9 -28.5 83.0 84.5 48.3 60 135 A K H 3< S+ 0 0 94 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.776 112.3 42.1 -64.1 -27.7 81.9 87.5 46.2 61 136 A G T 3< S+ 0 0 54 -4,-0.8 2,-0.3 -3,-0.4 -1,-0.2 0.389 116.3 46.0-101.2 1.2 85.6 88.3 45.7 62 137 A T S < S- 0 0 24 -3,-0.6 2,-1.4 -4,-0.3 32,-0.1 -0.895 83.8-102.6-142.9 168.8 86.9 84.8 45.0 63 138 A N S S+ 0 0 120 -2,-0.3 27,-0.3 28,-0.1 2,-0.3 -0.420 78.3 121.3 -88.6 61.1 86.5 81.5 43.2 64 139 A T - 0 0 7 -2,-1.4 2,-0.3 -5,-0.4 25,-0.2 -0.769 44.7-157.1-123.0 165.2 85.1 79.7 46.3 65 140 A E E -D 88 0A 109 23,-2.1 23,-2.6 -2,-0.3 2,-0.7 -0.886 30.8 -99.5-134.7 169.2 82.0 77.8 47.5 66 141 A V E +D 87 0A 15 -2,-0.3 21,-0.2 21,-0.2 3,-0.1 -0.813 32.9 172.9 -99.8 115.8 80.5 77.0 50.8 67 142 A A E - 0 0 11 19,-2.6 2,-0.3 -2,-0.7 20,-0.2 0.920 68.7 -14.1 -82.5 -51.0 81.1 73.6 52.3 68 143 A T E -D 86 0A 23 18,-1.7 18,-2.7 -38,-0.1 2,-0.4 -0.983 45.2-166.1-157.2 140.8 79.6 74.1 55.7 69 144 A I E +D 85 0A 29 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.954 25.4 170.2-125.6 112.9 78.3 76.8 58.0 70 145 A E E -D 84 0A 105 14,-2.7 14,-1.9 -2,-0.4 -2,-0.0 -0.927 20.4-149.7-126.3 149.7 77.7 75.6 61.6 71 146 A L - 0 0 44 -2,-0.3 12,-0.1 12,-0.2 2,-0.1 -0.878 12.0-172.8-125.0 99.3 76.9 77.5 64.9 72 147 A P - 0 0 57 0, 0.0 10,-0.3 0, 0.0 2,-0.3 -0.339 35.3-108.7 -66.7-178.9 77.9 76.4 68.4 73 148 A R S S+ 0 0 103 8,-0.4 8,-0.2 110,-0.2 2,-0.1 -0.902 72.8 113.5 93.7 54.8 77.0 77.8 71.4 74 149 A D + 0 0 28 6,-1.1 3,-0.5 -2,-0.3 4,-0.4 -0.154 11.2 145.9-141.9-135.6 80.0 79.5 72.6 75 150 A T S S- 0 0 21 -30,-1.7 5,-0.3 1,-0.3 -29,-0.1 0.565 95.2 -76.3 83.1 25.9 80.4 83.2 73.0 76 151 A K S S- 0 0 107 3,-0.1 -1,-0.3 1,-0.1 -30,-0.1 -0.105 105.1 -20.9-162.6 65.7 82.1 82.5 75.5 77 152 A G S S+ 0 0 68 -3,-0.5 -2,-0.2 3,-0.1 2,-0.1 0.939 104.4 9.5-116.1-174.9 79.7 81.9 77.2 78 153 A G S S+ 0 0 42 -4,-0.4 41,-0.1 2,-0.1 107,-0.1 0.721 88.4 29.9 -87.3-144.8 76.8 82.7 76.9 79 154 A A S S+ 0 0 22 -2,-0.1 107,-2.0 39,-0.1 -4,-0.1 -0.975 98.0 18.9-113.5 5.6 74.6 84.0 75.4 80 155 A G S S- 0 0 1 -5,-0.3 -6,-1.1 105,-0.2 2,-0.2 -0.132 75.6 -45.9-113.2-157.2 75.2 83.5 71.5 81 156 A H - 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