==== 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 19-JUL-07 2QNT . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN ATU1872; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; . AUTHOR B.NOCEK,E.EVDOKIMOVA,M.KUDRITSKA,A.SAVCHENKO,A.EDWARDS,A.JOA . 125 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8115.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 73 58.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 17.6 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 . 3 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 8 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 1 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 RESIDUES PER ALPHA HELIX . 0 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 -5 A N > 0 0 156 0, 0.0 3,-1.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 100.2 13.7 13.1 62.3 2 -4 A L T 3 + 0 0 160 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.608 360.0 56.4 -63.8 -13.0 14.0 12.4 66.0 3 -3 A Y T 3 S+ 0 0 184 2,-0.1 2,-0.4 0, 0.0 -1,-0.2 0.285 70.9 125.5-109.9 7.9 12.0 15.5 66.7 4 -2 A F < - 0 0 101 -3,-1.4 2,-0.2 1,-0.0 4,-0.1 -0.541 46.0-157.9 -71.2 128.0 8.9 14.8 64.7 5 -1 A Q + 0 0 165 -2,-0.4 -2,-0.1 2,-0.1 -1,-0.0 -0.621 48.9 15.3-103.6 159.7 5.9 15.1 66.9 6 0 A G S S- 0 0 76 -2,-0.2 2,-0.3 2,-0.0 -2,-0.0 -0.284 102.1 -14.2 75.4-161.6 2.6 13.5 66.4 7 1 A X - 0 0 185 2,-0.0 2,-0.4 -2,-0.0 -2,-0.1 -0.615 50.0-178.0 -96.0 137.8 1.6 10.6 64.0 8 2 A R - 0 0 162 -2,-0.3 2,-0.4 -4,-0.1 -2,-0.0 -0.997 24.1-135.1-131.5 128.6 3.6 9.2 61.1 9 3 A F + 0 0 155 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.705 29.4 172.9 -74.9 130.6 2.5 6.4 58.8 10 4 A V - 0 0 71 -2,-0.4 -1,-0.2 1,-0.3 0, 0.0 0.844 50.3 -14.8-105.8 -60.9 5.5 4.1 58.4 11 5 A N - 0 0 41 2,-0.0 2,-0.3 32,-0.0 -1,-0.3 -0.991 43.5-134.4-147.1 142.0 4.6 1.0 56.4 12 6 A P - 0 0 35 0, 0.0 37,-0.6 0, 0.0 65,-0.0 -0.703 26.2-157.8 -81.1 151.3 1.8 -1.1 55.0 13 7 A I - 0 0 60 -2,-0.3 37,-0.2 35,-0.1 2,-0.1 -0.741 4.5-164.5-134.7 81.0 2.5 -4.7 55.8 14 8 A P - 0 0 6 0, 0.0 37,-1.9 0, 0.0 2,-0.3 -0.425 26.1-117.4 -58.8 143.3 0.5 -7.1 53.4 15 9 A F E -a 51 0A 39 35,-0.2 2,-0.3 55,-0.1 37,-0.2 -0.626 33.0-168.2 -85.7 139.6 0.4 -10.6 54.7 16 10 A V E -a 52 0A 0 35,-2.2 37,-2.8 -2,-0.3 38,-0.3 -0.954 26.0-141.7-130.8 149.2 2.1 -13.3 52.5 17 11 A R S S+ 0 0 140 -2,-0.3 2,-0.4 1,-0.3 37,-0.1 0.846 95.5 25.3 -76.5 -32.4 2.1 -17.1 52.5 18 12 A D > - 0 0 74 1,-0.1 4,-2.2 33,-0.1 -1,-0.3 -0.955 63.7-162.3-141.2 107.6 5.8 -17.6 51.6 19 13 A I H > S+ 0 0 21 -2,-0.4 4,-3.3 1,-0.2 5,-0.2 0.881 92.9 52.0 -63.9 -35.9 8.3 -14.8 52.4 20 14 A N H > S+ 0 0 95 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.938 109.7 48.8 -66.3 -42.8 10.9 -16.1 50.0 21 15 A R H > S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.929 118.0 41.4 -57.0 -50.9 8.4 -16.3 47.1 22 16 A S H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.957 112.7 52.1 -66.2 -49.2 7.3 -12.7 47.8 23 17 A K H X S+ 0 0 34 -4,-3.3 4,-2.6 1,-0.2 5,-0.3 0.916 112.2 47.1 -53.4 -47.4 10.7 -11.3 48.5 24 18 A S H X>S+ 0 0 46 -4,-2.5 4,-2.6 -5,-0.2 5,-0.6 0.882 112.0 51.0 -64.0 -40.2 12.0 -12.7 45.2 25 19 A F H X>S+ 0 0 21 -4,-1.9 4,-1.9 -5,-0.2 5,-1.8 0.965 114.8 40.9 -59.9 -53.8 9.0 -11.3 43.4 26 20 A Y H <5S+ 0 0 0 -4,-3.0 6,-2.7 3,-0.2 -2,-0.2 0.885 124.6 37.5 -68.0 -37.2 9.3 -7.8 44.8 27 21 A R H X5S+ 0 0 99 -4,-2.6 4,-0.5 -5,-0.3 -3,-0.2 0.948 126.7 33.3 -78.6 -48.9 13.1 -7.7 44.5 28 22 A D H <5S+ 0 0 107 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.846 131.4 26.3 -79.8 -38.7 13.6 -9.6 41.1 29 23 A R T < -B 34 0A 2 4,-3.2 3,-1.1 -2,-0.5 4,-0.5 -0.745 28.2 -95.3-105.6 157.1 12.1 -2.4 51.3 45 39 A E T 3 S+ 0 0 101 -12,-3.0 3,-0.4 -2,-0.3 -12,-0.2 -0.357 108.8 40.2 -61.7 148.5 13.4 1.0 50.3 46 40 A T T 3 S- 0 0 129 1,-0.2 -1,-0.2 -14,-0.1 -14,-0.0 0.498 129.9 -72.8 78.9 16.2 10.6 3.5 49.6 47 41 A G S < S+ 0 0 32 -3,-1.1 2,-0.3 1,-0.3 -1,-0.2 0.720 90.1 130.5 88.5 19.0 8.4 2.4 52.5 48 42 A F + 0 0 11 -4,-0.5 -4,-3.2 -3,-0.4 2,-0.3 -0.799 27.2 173.0-101.7 151.4 7.0 -1.0 51.4 49 43 A A E - C 0 43A 0 -37,-0.6 2,-0.3 -2,-0.3 -6,-0.2 -0.974 15.7-160.0-152.2 158.3 7.1 -4.1 53.6 50 44 A I E - C 0 42A 0 -8,-2.0 -8,-2.5 -2,-0.3 2,-0.4 -0.980 6.6-167.2-138.9 152.3 5.8 -7.7 53.6 51 45 A H E -aC 15 41A 23 -37,-1.9 -35,-2.2 -2,-0.3 -10,-0.2 -0.999 34.7-104.2-142.4 136.7 5.4 -10.2 56.5 52 46 A E E > -a 16 0A 47 -12,-2.8 4,-1.5 -2,-0.4 -35,-0.2 -0.424 41.4-136.6 -54.1 132.0 4.7 -13.9 56.6 53 47 A G H > S+ 0 0 0 -37,-2.8 4,-2.9 1,-0.2 5,-0.2 0.867 90.0 52.1 -74.7 -43.7 1.0 -13.9 57.5 54 48 A R H > S+ 0 0 122 -38,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.917 110.7 49.0 -64.0 -41.0 0.5 -16.6 60.1 55 49 A S H > S+ 0 0 37 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 114.5 44.7 -65.0 -41.5 3.3 -15.3 62.3 56 50 A L H X S+ 0 0 24 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.912 111.5 53.2 -71.5 -38.2 2.0 -11.7 62.2 57 51 A E H X>S+ 0 0 26 -4,-2.9 4,-2.9 1,-0.2 6,-0.7 0.915 110.3 48.4 -57.2 -45.4 -1.6 -12.9 62.7 58 52 A E H X5S+ 0 0 79 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.915 110.7 51.4 -62.8 -40.8 -0.5 -14.8 65.8 59 53 A T H <5S+ 0 0 78 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.918 120.4 33.7 -59.1 -44.4 1.4 -11.7 67.0 60 54 A I H <5S+ 0 0 88 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.945 137.3 15.2 -77.2 -53.7 -1.7 -9.4 66.6 61 55 A W H <5S- 0 0 154 -4,-2.9 -3,-0.2 2,-0.3 -2,-0.2 0.446 89.6-125.8-107.1 -7.4 -4.7 -11.7 67.4 62 56 A R S < + 0 0 78 1,-0.1 4,-2.5 42,-0.0 3,-0.3 -0.744 68.2 177.3-133.2 83.3 10.0 4.4 32.7 84 79 A V H > S+ 0 0 5 -3,-0.5 4,-2.3 -2,-0.3 5,-0.2 0.813 80.6 57.5 -63.1 -30.0 6.6 2.6 32.8 85 80 A D H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.918 109.4 43.7 -65.2 -44.6 7.1 1.2 29.3 86 81 A A H 4 S+ 0 0 52 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.902 113.4 52.5 -64.8 -43.2 10.3 -0.6 30.4 87 82 A A H < S+ 0 0 7 -4,-2.5 5,-0.3 1,-0.2 -2,-0.2 0.899 110.5 47.8 -58.4 -45.4 8.7 -1.7 33.6 88 83 A F H < 0 0 50 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.933 360.0 360.0 -62.5 -43.8 5.8 -3.2 31.7 89 84 A Q < 0 0 173 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.888 360.0 360.0 -62.2 360.0 8.1 -5.0 29.3 90 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 91 86 A I > 0 0 23 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -42.6 7.2 -7.3 34.5 92 87 A A G > + 0 0 16 -4,-2.6 3,-1.4 -5,-0.3 5,-0.2 0.832 360.0 55.6 -51.9 -43.2 4.1 -8.2 32.4 93 88 A P G 3 S+ 0 0 95 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 0.723 109.9 48.5 -63.1 -16.8 5.2 -11.7 31.2 94 89 A H G < S+ 0 0 93 -3,-2.1 2,-0.3 -65,-0.0 -2,-0.2 0.267 106.6 57.7-106.6 6.1 5.8 -12.8 34.8 95 90 A V S < S- 0 0 23 -3,-1.4 2,-0.9 -4,-0.3 20,-0.1 -0.912 84.8-106.4-133.2 159.0 2.6 -11.8 36.5 96 91 A E - 0 0 135 18,-0.5 18,-2.1 -2,-0.3 2,-0.2 -0.829 46.0-144.3 -81.4 106.4 -1.1 -12.3 36.2 97 92 A L E -E 113 0B 60 -2,-0.9 16,-0.3 16,-0.2 14,-0.0 -0.457 22.7-163.7 -70.1 144.2 -2.2 -8.9 34.7 98 93 A I E S- 0 0 76 14,-2.7 15,-0.2 1,-0.5 -1,-0.2 0.829 84.1 -22.8 -82.3 -44.7 -5.5 -7.3 35.6 99 94 A H E S-E 112 0B 31 13,-1.6 13,-1.4 -3,-0.1 -1,-0.5 -0.971 74.5-104.1-159.7 160.4 -5.0 -5.1 32.5 100 95 A P E - 0 0 58 0, 0.0 2,-0.6 0, 0.0 10,-0.2 -0.041 62.7 -55.4 -79.3-174.7 -2.2 -3.9 30.3 101 96 A L E S+ 0 0 30 10,-0.1 2,-0.3 8,-0.1 10,-0.2 -0.521 75.2 163.4 -70.1 112.6 -0.5 -0.6 30.2 102 97 A E E -E 110 0B 88 8,-2.5 8,-2.0 -2,-0.6 2,-0.3 -0.990 44.3-109.4-139.8 137.0 -3.4 1.8 29.6 103 98 A R E -E 109 0B 162 -2,-0.3 6,-0.3 6,-0.2 5,-0.1 -0.519 40.7-139.8 -64.9 126.3 -4.1 5.5 29.9 104 99 A Q > - 0 0 29 4,-3.0 3,-2.3 -2,-0.3 -1,-0.1 -0.298 28.6 -94.5 -83.9 171.6 -6.4 6.1 32.8 105 100 A A T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.745 126.7 53.3 -59.3 -26.9 -9.3 8.6 32.9 106 101 A W T 3 S- 0 0 154 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.288 122.6-103.7 -94.4 7.0 -7.0 11.2 34.5 107 102 A G S < S+ 0 0 33 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.263 79.6 124.5 98.4 -11.7 -4.3 10.8 31.8 108 103 A Q - 0 0 9 -5,-0.1 -4,-3.0 1,-0.0 2,-0.5 -0.659 57.6-130.4 -84.6 137.4 -1.7 8.7 33.5 109 104 A R E +E 103 0B 58 -2,-0.3 16,-2.4 -6,-0.3 2,-0.3 -0.775 41.5 156.8 -86.4 124.0 -0.5 5.4 31.9 110 105 A V E -EF 102 124B 0 -8,-2.0 -8,-2.5 -2,-0.5 2,-0.3 -0.963 29.9-151.6-139.7 159.3 -0.6 2.5 34.4 111 106 A F E - F 0 123B 0 12,-2.4 12,-2.6 -2,-0.3 2,-0.3 -0.938 13.0-155.1-127.5 158.3 -0.8 -1.2 34.5 112 107 A R E +EF 99 122B 43 -13,-1.4 -14,-2.7 -2,-0.3 -13,-1.6 -0.971 21.6 149.1-136.8 146.2 -2.3 -3.4 37.3 113 108 A F E -EF 97 121B 0 8,-2.4 8,-3.0 -2,-0.3 2,-0.3 -0.947 39.7 -89.4-163.7 174.2 -1.6 -7.0 38.3 114 109 A Y E - F 0 120B 43 -18,-2.1 -18,-0.5 -2,-0.3 6,-0.2 -0.781 26.1-136.6-102.3 144.4 -1.5 -9.4 41.2 115 110 A D > - 0 0 6 4,-2.2 3,-2.0 -2,-0.3 -19,-0.1 -0.303 48.3 -84.6 -79.6 174.9 1.4 -10.3 43.5 116 111 A P T 3 S+ 0 0 40 0, 0.0 -45,-0.1 0, 0.0 -94,-0.1 0.725 132.5 46.4 -57.6 -21.5 2.0 -14.0 44.3 117 112 A D T 3 S- 0 0 5 2,-0.1 -46,-2.4 -48,-0.1 -102,-0.0 0.412 123.0-102.0 -98.9 -0.3 -0.6 -13.8 47.1 118 113 A G < + 0 0 24 -3,-2.0 -45,-0.4 1,-0.3 2,-0.1 0.495 68.6 150.7 90.6 6.6 -3.2 -12.1 45.0 119 114 A H - 0 0 15 -48,-0.2 -4,-2.2 -47,-0.1 2,-0.4 -0.476 50.9-112.4 -69.5 145.0 -2.8 -8.6 46.4 120 115 A A E -dF 76 114B 20 -45,-0.5 -43,-2.6 -6,-0.2 2,-0.4 -0.668 36.9-172.8 -86.1 128.6 -3.6 -5.9 43.8 121 116 A I E -dF 77 113B 0 -8,-3.0 -8,-2.4 -2,-0.4 2,-0.4 -0.960 10.5-163.9-122.1 139.4 -0.7 -3.8 42.5 122 117 A E E -dF 78 112B 9 -45,-2.7 -43,-2.8 -2,-0.4 2,-0.5 -0.978 1.1-168.2-119.0 135.9 -0.6 -0.8 40.2 123 118 A V E +dF 79 111B 6 -12,-2.6 -12,-2.4 -2,-0.4 2,-0.3 -0.986 19.2 176.4-119.1 118.7 2.5 0.5 38.5 124 119 A G E -dF 80 110B 0 -45,-2.4 -43,-2.3 -2,-0.5 -14,-0.2 -0.804 36.5 -93.3-118.0 158.7 2.1 4.0 37.0 125 120 A E E -d 81 0B 61 -16,-2.4 -43,-0.2 -2,-0.3 -1,-0.1 -0.353 62.5 -82.7 -63.3 153.4 4.2 6.4 35.2 126 121 A S 0 0 67 -45,-1.1 -1,-0.1 1,-0.2 -42,-0.0 -0.244 360.0 360.0 -64.5 141.1 5.8 9.0 37.6 127 122 A L 0 0 148 -3,-0.1 -1,-0.2 -19,-0.1 -2,-0.0 0.692 360.0 360.0-107.4 360.0 3.6 12.0 38.5