==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-MAY-08 3DB9 . COMPND 2 MOLECULE: UPF0317 PROTEIN ATU3911; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR. C58; . AUTHOR J.SEETHARAMAN,M.ABASHIDZE,D.WANG,H.JANJUA,L.OWENS,R.XIAO, . 235 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 58.7 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 . 46 19.6 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 . 0 0.0 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 . 17 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 1 0 0 1 1 1 0 0 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 . 1 3 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 11 A T > 0 0 133 0, 0.0 3,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.1 42.7 29.0 23.5 2 12 A D T 3 - 0 0 125 1,-0.2 3,-0.1 3,-0.0 0, 0.0 0.143 360.0-132.2 69.7 -25.1 44.0 25.9 21.6 3 13 A A T 3 S+ 0 0 52 1,-0.1 -1,-0.2 2,-0.0 2,-0.2 0.902 71.8 86.5 43.0 64.5 40.7 24.5 22.9 4 14 A E < + 0 0 112 -3,-0.6 -1,-0.1 2,-0.0 229,-0.0 -0.836 43.9 75.1 171.0 145.2 42.2 21.3 24.2 5 15 A A S S+ 0 0 53 -2,-0.2 4,-0.4 -3,-0.1 20,-0.2 0.082 89.3 78.3 105.4 -18.2 43.8 20.1 27.4 6 16 A A S > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.1 3,-0.1 0.647 91.6 52.7 -74.3 -28.8 40.4 20.2 28.8 7 17 A R T 4 S+ 0 0 112 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.448 103.5 60.8 -81.9 1.5 40.1 16.9 26.9 8 18 A K T > S+ 0 0 149 2,-0.2 4,-1.0 3,-0.1 -1,-0.2 0.721 102.4 47.1 -97.7 -29.8 43.3 16.0 28.8 9 19 A A H > S+ 0 0 7 -4,-0.4 4,-1.5 2,-0.2 3,-0.5 0.911 110.7 51.8 -77.0 -44.5 41.7 16.2 32.2 10 20 A R H X S+ 0 0 7 -4,-1.4 4,-1.0 1,-0.3 3,-0.3 0.891 107.0 56.9 -56.7 -38.1 38.7 14.2 31.2 11 21 A A H > S+ 0 0 44 -4,-0.4 4,-1.2 1,-0.3 3,-0.4 0.842 102.6 52.1 -63.0 -36.2 41.2 11.7 29.9 12 22 A T H X>S+ 0 0 58 -4,-1.0 5,-1.1 -3,-0.5 4,-1.0 0.809 106.0 56.8 -71.0 -25.9 42.8 11.4 33.3 13 23 A Y H <5S+ 0 0 10 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.726 98.1 59.2 -78.8 -19.9 39.4 10.7 34.7 14 24 A R H <5S+ 0 0 131 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.937 103.2 52.5 -69.8 -46.1 38.8 7.8 32.4 15 25 A D H <5S- 0 0 153 -4,-1.2 -1,-0.2 1,-0.1 -2,-0.2 0.859 128.4-104.7 -54.0 -37.4 41.8 6.1 34.0 16 26 A G T <5 + 0 0 46 -4,-1.0 2,-1.0 62,-0.1 -3,-0.2 0.797 60.9 158.4 113.0 48.3 40.2 6.8 37.3 17 27 A L < - 0 0 89 -5,-1.1 -1,-0.1 79,-0.1 -2,-0.1 -0.670 26.9-157.6-102.1 78.4 41.9 9.7 39.0 18 28 A V + 0 0 76 -2,-1.0 64,-0.1 -5,-0.1 78,-0.0 -0.212 36.2 125.7 -53.1 143.6 39.3 10.9 41.5 19 29 A A - 0 0 28 -6,-0.0 63,-0.1 208,-0.0 -2,-0.1 -0.848 61.5 -75.8 169.6 153.0 39.9 14.6 42.4 20 30 A P - 0 0 72 0, 0.0 208,-0.2 0, 0.0 207,-0.1 -0.216 29.5-139.2 -62.9 161.2 38.4 18.0 42.6 21 31 A T > + 0 0 1 206,-1.9 3,-0.9 2,-0.1 207,-0.1 0.369 56.0 135.4 -99.3 1.7 37.9 19.9 39.3 22 32 A S T 3 S- 0 0 88 205,-0.4 3,-0.1 1,-0.2 206,-0.0 -0.266 79.2 -7.0 -56.5 132.0 39.0 23.2 40.9 23 33 A G T 3 S+ 0 0 63 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.183 99.4 131.4 70.6 -19.5 41.4 25.3 38.9 24 34 A I S < S+ 0 0 68 -3,-0.9 4,-0.2 1,-0.3 -1,-0.2 -0.175 78.5 0.7 -61.0 162.4 41.8 22.5 36.3 25 35 A A S > S- 0 0 16 -20,-0.2 3,-2.0 1,-0.1 -1,-0.3 0.727 93.0-156.9 23.8 47.6 41.5 23.4 32.7 26 36 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.160 70.4 37.8 -52.0 134.9 40.9 27.0 33.8 27 37 A G T 3 S+ 0 0 30 1,-0.3 209,-3.1 -3,-0.2 2,-0.4 0.068 94.1 99.4 110.5 -22.9 39.1 29.1 31.3 28 38 A F E < S-A 235 0A 27 -3,-2.0 -1,-0.3 207,-0.3 205,-0.1 -0.828 82.0-102.5-102.9 136.9 36.8 26.3 30.1 29 39 A T E - 0 0 25 205,-4.3 203,-2.0 -2,-0.4 2,-0.4 -0.100 34.3-159.6 -50.6 148.4 33.2 26.0 31.4 30 40 A Q E -A 231 0A 51 201,-0.2 2,-0.3 203,-0.1 201,-0.2 -0.995 12.0-163.3-134.7 138.1 32.6 23.4 34.0 31 41 A A E -A 230 0A 0 199,-2.7 199,-2.2 -2,-0.4 2,-0.2 -0.791 20.2-123.7-128.9 169.2 29.1 21.9 34.8 32 42 A N - 0 0 22 -2,-0.3 81,-1.8 197,-0.2 2,-0.4 -0.557 31.7-135.2 -96.7 165.7 27.0 20.0 37.1 33 43 A M E +B 112 0B 1 79,-0.2 191,-0.8 -2,-0.2 2,-0.4 -0.990 25.1 171.0-133.9 137.2 25.2 16.8 36.0 34 44 A I E +BC 111 223B 4 77,-1.4 77,-4.0 -2,-0.4 2,-0.5 -0.968 6.9 179.8-139.5 117.2 21.7 15.5 36.5 35 45 A V E +BC 110 222B 0 187,-2.0 187,-1.7 -2,-0.4 75,-0.3 -0.979 9.0 173.4-124.7 120.2 20.5 12.5 34.6 36 46 A L E -B 109 0B 1 73,-1.9 73,-2.4 -2,-0.5 185,-0.1 -0.803 40.9 -84.8-119.9 162.5 16.9 11.3 35.2 37 47 A P >> - 0 0 0 0, 0.0 3,-2.1 0, 0.0 4,-0.8 -0.276 47.5-108.2 -61.0 153.6 14.8 8.5 33.6 38 48 A R H >> S+ 0 0 134 69,-0.3 3,-2.1 1,-0.3 4,-0.8 0.917 117.2 65.6 -50.8 -48.9 13.0 9.8 30.4 39 49 A D H 34 S+ 0 0 92 1,-0.3 -1,-0.3 2,-0.2 4,-0.1 0.423 109.1 39.9 -57.5 3.7 9.6 9.8 32.2 40 50 A W H <> S+ 0 0 15 -3,-2.1 4,-2.1 2,-0.1 -1,-0.3 0.429 92.9 89.5-124.7 -12.7 11.0 12.6 34.4 41 51 A A H S+ 0 0 17 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.885 111.0 46.3 -65.8 -41.1 9.5 17.7 34.2 44 54 A F H X S+ 0 0 1 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.909 112.2 50.7 -68.8 -41.2 13.1 18.6 34.8 45 55 A L H X S+ 0 0 83 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.905 113.6 45.8 -62.8 -40.7 13.3 20.5 31.5 46 56 A L H X S+ 0 0 36 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.945 113.5 48.6 -66.1 -47.4 10.2 22.4 32.5 47 57 A Y H X S+ 0 0 1 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.875 112.7 50.0 -58.2 -39.3 11.5 23.0 36.0 48 58 A A H < S+ 0 0 6 -4,-3.0 3,-0.3 1,-0.2 -1,-0.2 0.885 112.9 44.5 -68.9 -40.7 14.7 24.2 34.4 49 59 A Q H < S+ 0 0 128 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.810 114.3 50.6 -74.2 -26.9 13.0 26.6 32.0 50 60 A R H < S+ 0 0 95 -4,-2.6 87,-0.3 1,-0.3 -1,-0.2 0.591 118.9 36.8 -85.3 -10.5 10.7 27.8 34.8 51 61 A N X + 0 0 11 -4,-0.8 4,-0.9 -3,-0.3 -1,-0.3 -0.512 68.3 162.2-139.9 65.1 13.6 28.5 37.1 52 62 A P T 4 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.756 70.8 56.8 -57.2 -31.3 16.5 29.8 34.9 53 63 A K T 4 S+ 0 0 136 1,-0.2 151,-0.1 2,-0.1 -2,-0.1 0.991 117.4 28.3 -70.5 -57.2 18.5 31.3 37.7 54 64 A P T 4 S+ 0 0 8 0, 0.0 -1,-0.2 0, 0.0 154,-0.1 0.418 130.5 42.7 -83.7 3.4 18.9 28.2 40.0 55 65 A C < + 0 0 1 -4,-0.9 2,-1.0 -7,-0.2 -4,-0.2 -0.338 66.4 169.6-147.5 64.3 18.8 25.8 37.0 56 66 A P - 0 0 49 0, 0.0 2,-0.4 0, 0.0 -7,-0.1 -0.643 20.5-154.4 -83.8 102.5 20.7 27.0 33.9 57 67 A V + 0 0 46 -2,-1.0 56,-0.3 1,-0.2 3,-0.1 -0.589 20.4 175.7 -79.7 126.9 20.9 24.1 31.4 58 68 A L S S- 0 0 82 54,-3.0 2,-0.3 -2,-0.4 55,-0.2 0.691 71.6 -4.0 -98.0 -28.8 23.8 24.2 28.9 59 69 A D E -D 112 0B 36 53,-1.7 53,-3.1 10,-0.0 2,-0.4 -0.953 52.3-155.4-166.3 146.3 23.0 20.9 27.3 60 70 A V E -D 111 0B 51 -2,-0.3 51,-0.2 51,-0.2 9,-0.1 -0.994 24.8-132.8-125.8 131.2 20.6 17.9 27.4 61 71 A S - 0 0 8 49,-2.5 7,-0.1 -2,-0.4 3,-0.1 -0.328 29.0 -98.9 -77.1 161.6 21.6 14.5 26.0 62 72 A D > - 0 0 124 5,-0.2 3,-3.2 1,-0.1 48,-0.2 -0.647 61.3 -78.0 -79.5 141.8 19.4 12.4 23.8 63 73 A P T 3 S+ 0 0 59 0, 0.0 45,-0.3 0, 0.0 46,-0.2 -0.129 119.3 4.6 -42.1 120.0 17.6 9.7 25.8 64 74 A G T 3 S+ 0 0 31 44,-4.3 45,-0.1 1,-0.2 44,-0.1 0.393 103.2 118.7 82.3 -3.0 20.0 6.9 26.5 65 75 A S < - 0 0 29 -3,-3.2 45,-0.4 43,-0.4 -1,-0.2 -0.860 48.8-163.4-100.5 118.9 22.9 8.8 24.9 66 76 A P + 0 0 29 0, 0.0 10,-2.6 0, 0.0 11,-0.2 0.279 59.0 98.9 -83.0 14.1 25.8 9.5 27.3 67 77 A T - 0 0 61 8,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.516 53.1-157.8-100.5 167.0 27.3 12.2 25.0 68 78 A T > - 0 0 5 3,-0.2 3,-1.1 -2,-0.2 6,-0.3 -0.996 25.4-137.6-144.1 145.4 27.1 16.0 25.0 69 79 A L T 3 S+ 0 0 135 -2,-0.3 -1,-0.1 1,-0.2 -10,-0.0 0.671 98.4 78.8 -73.0 -16.9 27.7 18.7 22.4 70 80 A L T 3 S+ 0 0 22 1,-0.3 163,-3.0 162,-0.1 164,-0.4 0.468 112.8 13.3 -71.4 -0.8 29.6 20.6 25.0 71 81 A A S X S- 0 0 0 -3,-1.1 3,-1.5 161,-0.2 -1,-0.3 -0.195 84.3-140.3-174.3 70.5 32.6 18.4 24.5 72 82 A P T 3 S+ 0 0 76 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.016 87.9 22.4 -38.5 126.2 32.6 16.2 21.3 73 83 A G T 3 S+ 0 0 65 1,-0.3 2,-0.1 -5,-0.1 -4,-0.1 0.490 94.0 124.2 92.4 3.3 34.0 12.8 21.9 74 84 A A < - 0 0 12 -3,-1.5 2,-0.4 -6,-0.3 -1,-0.3 -0.389 50.7-143.1 -91.9 173.4 33.5 12.7 25.7 75 85 A D >> - 0 0 41 -8,-0.1 4,-2.6 -2,-0.1 3,-1.6 -0.930 3.7-155.8-142.4 112.3 31.6 10.1 27.7 76 86 A L T 34 S+ 0 0 0 -10,-2.6 4,-0.2 -2,-0.4 -9,-0.1 0.596 92.3 66.2 -64.1 -11.1 29.5 11.2 30.6 77 87 A R T 34 S+ 0 0 62 -11,-0.2 21,-2.8 1,-0.1 22,-0.7 0.739 122.1 10.0 -81.9 -26.0 29.8 7.7 32.1 78 88 A T T <4 S+ 0 0 21 -3,-1.6 -2,-0.2 19,-0.2 -62,-0.1 0.509 106.3 82.8-132.1 -7.9 33.5 8.0 32.7 79 89 A D S < S+ 0 0 3 -4,-2.6 152,-0.4 -65,-0.1 -66,-0.2 0.416 76.5 77.9 -86.7 4.2 34.7 11.6 32.2 80 90 A L S S- 0 0 0 -4,-0.2 150,-0.1 -5,-0.2 3,-0.1 -0.808 81.1-127.6-105.8 153.7 33.8 13.0 35.6 81 91 A P S S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.856 85.7 2.4 -69.5 -34.1 36.0 12.3 38.6 82 92 A L - 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0 0 51 -7,-2.4 2,-0.3 -2,-0.6 -6,-0.2 0.697 57.1 -37.5 -93.7 -21.5 23.2 4.5 47.2 93 103 A E E -F 85 0B 81 -8,-1.2 -8,-0.7 2,-0.1 -1,-0.2 -0.991 41.4-115.8-179.8-175.6 26.9 5.1 46.5 94 104 A E + 0 0 93 -2,-0.3 -10,-0.2 -10,-0.2 2,-0.1 -0.539 37.7 172.3-147.1 74.7 29.8 7.1 45.2 95 105 A T - 0 0 50 1,-0.1 -12,-3.9 -2,-0.1 3,-0.1 -0.436 36.9-140.6 -85.0 158.3 31.6 5.5 42.2 96 106 A A S S+ 0 0 31 -14,-0.3 2,-0.4 1,-0.1 -16,-0.2 0.452 95.9 47.9 -92.0 -3.3 34.3 7.0 39.9 97 107 A D - 0 0 65 -14,-0.1 -19,-0.2 1,-0.1 4,-0.2 -0.997 56.5-177.3-139.9 130.9 32.6 5.3 37.0 98 108 A A > + 0 0 1 -21,-2.8 4,-2.0 -2,-0.4 5,-0.3 0.370 55.7 107.6-109.4 4.0 28.8 5.3 36.2 99 109 A T H > S+ 0 0 48 -22,-0.7 4,-1.6 1,-0.2 3,-0.4 0.921 79.9 53.4 -44.2 -52.2 28.9 3.0 33.2 100 110 A S H 4 S+ 0 0 98 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.902 111.5 41.3 -50.8 -54.7 27.3 0.3 35.3 101 111 A A H > S+ 0 0 5 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.683 108.8 60.7 -71.6 -20.8 24.3 2.3 36.5 102 112 A W H < S+ 0 0 13 -4,-2.0 6,-0.2 -3,-0.4 -1,-0.2 0.828 101.0 55.6 -73.0 -32.3 23.8 3.9 33.1 103 113 A A T < S+ 0 0 78 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.658 91.8 76.5 -72.4 -17.5 23.3 0.5 31.7 104 114 A E T 4 S+ 0 0 89 -4,-0.4 2,-0.4 -3,-0.2 -1,-0.2 0.972 99.3 34.7 -58.2 -58.9 20.5 -0.1 34.3 105 115 A R S >< S- 0 0 91 -4,-0.7 3,-0.6 -3,-0.2 -1,-0.1 -0.824 71.5-146.7-104.4 138.1 17.8 2.0 32.5 106 116 A D T 3 S+ 0 0 148 -2,-0.4 -1,-0.1 1,-0.2 2,-0.1 0.867 89.0 43.0 -69.4 -42.4 17.5 2.2 28.7 107 117 A D T 3 S+ 0 0 80 -43,-0.1 -69,-0.3 -44,-0.1 -1,-0.2 -0.176 75.1 163.3-104.3 43.9 16.2 5.8 28.0 108 118 A L < - 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