==== 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 01-NOV-06 2JMB . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN ATU4866; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR.; . AUTHOR X.AI,A.SEMESI,A.YEE,C.H.ARROWSMITH,S.S.C.LI,W.CHOY,ONTARIO C . 79 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5262.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 57 72.2 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 . 40 50.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 5.1 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 . 11 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 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 . 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 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 1 A M 0 0 202 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 56.0 -7.3 -8.1 -12.0 2 2 A Q - 0 0 65 40,-0.1 40,-0.2 38,-0.0 22,-0.0 -0.979 360.0-149.5-146.4 156.9 -4.8 -5.5 -10.8 3 3 A H - 0 0 102 38,-0.6 21,-0.1 -2,-0.3 40,-0.0 -0.859 21.4-143.1-133.4 98.8 -3.6 -2.0 -11.7 4 4 A P + 0 0 76 0, 0.0 19,-0.0 0, 0.0 36,-0.0 0.022 23.9 169.9 -52.3 164.8 0.0 -1.1 -10.8 5 5 A Y - 0 0 89 16,-0.5 15,-0.1 20,-0.2 16,-0.0 0.440 21.4-155.3-146.4 -42.1 1.0 2.4 -9.7 6 6 A V + 0 0 63 15,-0.4 15,-0.2 19,-0.3 2,-0.2 0.668 32.9 127.9 60.5 129.5 4.5 2.4 -8.3 7 7 A G E -A 20 0A 14 13,-1.5 13,-3.4 2,-0.0 2,-1.1 -0.677 60.1-103.4 158.5 147.5 5.5 5.1 -5.9 8 8 A I E -A 19 0A 50 11,-0.3 70,-2.2 -2,-0.2 2,-0.8 -0.764 36.3-167.6 -95.3 96.9 7.1 5.7 -2.5 9 9 A W E +AB 18 77A 3 9,-3.3 9,-2.5 -2,-1.1 2,-0.3 -0.758 14.2 174.0 -89.1 107.4 4.2 6.4 -0.2 10 10 A V E -AB 17 76A 20 66,-3.1 66,-3.9 -2,-0.8 7,-0.2 -0.809 30.9-104.3-115.0 155.8 5.5 7.8 3.1 11 11 A T - 0 0 3 5,-1.7 -1,-0.1 -2,-0.3 64,-0.1 0.029 36.7-102.8 -65.5 179.4 3.8 9.3 6.2 12 12 A A S S+ 0 0 63 62,-0.4 -1,-0.1 1,-0.2 63,-0.1 0.686 122.5 35.8 -79.9 -19.6 3.7 13.0 7.0 13 13 A D S S- 0 0 141 3,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.703 108.5-118.8-103.1 -28.5 6.4 12.6 9.6 14 14 A G S S+ 0 0 47 2,-0.2 3,-0.1 0, 0.0 -2,-0.1 0.728 71.4 131.2 94.5 26.3 8.5 10.0 7.9 15 15 A R S S+ 0 0 141 1,-0.2 16,-1.8 15,-0.1 2,-0.3 0.815 77.0 18.8 -78.7 -31.0 8.2 7.3 10.6 16 16 A I E - C 0 30A 19 14,-0.2 -5,-1.7 2,-0.0 2,-0.4 -0.961 67.3-156.0-139.0 155.5 7.3 4.7 8.0 17 17 A R E -AC 10 29A 126 12,-1.1 12,-3.3 -2,-0.3 2,-0.5 -0.997 1.4-163.7-136.3 138.8 7.6 4.3 4.3 18 18 A Q E -AC 9 28A 1 -9,-2.5 -9,-3.3 -2,-0.4 2,-0.5 -0.952 9.4-158.9-125.8 111.9 5.7 2.2 1.7 19 19 A E E -AC 8 27A 80 8,-4.0 8,-2.2 -2,-0.5 2,-0.7 -0.786 9.4-145.5 -93.8 127.2 7.2 1.6 -1.7 20 20 A L E -AC 7 26A 4 -13,-3.4 -13,-1.5 -2,-0.5 6,-0.3 -0.797 26.6-131.4 -92.1 114.1 4.9 0.7 -4.6 21 21 A L E >> - C 0 25A 38 4,-1.6 3,-1.4 -2,-0.7 4,-1.0 -0.222 14.4-115.3 -67.3 156.4 6.8 -1.7 -6.8 22 22 A P T 34 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.657 114.7 63.1 -63.9 -17.2 7.2 -1.5 -10.6 23 23 A N T 34 S- 0 0 95 -19,-0.0 3,-0.1 -18,-0.0 -2,-0.1 0.065 129.9 -91.6 -96.4 24.0 5.2 -4.8 -10.8 24 24 A G T <4 S+ 0 0 3 -3,-1.4 17,-0.5 1,-0.2 2,-0.2 0.969 90.4 114.4 67.0 54.4 2.2 -3.2 -9.3 25 25 A R E < -CD 21 40A 63 -4,-1.0 -4,-1.6 15,-0.2 2,-0.3 -0.820 54.9-122.9-143.3-179.7 3.0 -4.1 -5.7 26 26 A Y E -CD 20 39A 6 13,-0.8 13,-1.1 -6,-0.3 2,-0.3 -0.976 15.2-178.9-136.1 150.0 3.9 -2.6 -2.3 27 27 A D E -CD 19 38A 41 -8,-2.2 -8,-4.0 -2,-0.3 2,-0.4 -0.900 12.0-162.8-148.3 111.7 6.7 -2.8 0.3 28 28 A E E -CD 18 37A 25 9,-2.3 8,-0.9 -2,-0.3 9,-0.8 -0.846 3.6-168.4-104.3 134.6 6.6 -0.9 3.5 29 29 A A E -C 17 0A 21 -12,-3.3 -12,-1.1 -2,-0.4 2,-0.3 -0.929 9.6-171.3-122.1 105.4 9.7 -0.3 5.7 30 30 A R E > -CD 16 33A 102 3,-1.0 3,-2.2 -2,-0.5 -14,-0.2 -0.709 40.0 -81.7 -97.7 148.0 9.0 1.1 9.1 31 31 A G T 3 S- 0 0 60 -16,-1.8 -1,-0.1 -2,-0.3 -16,-0.0 -0.169 116.0 -1.0 -47.7 128.5 11.7 2.3 11.5 32 32 A N T 3 S+ 0 0 156 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.816 134.5 64.0 57.5 31.1 13.3 -0.7 13.4 33 33 A R E X +D 30 0A 172 -3,-2.2 -3,-1.0 0, 0.0 3,-0.6 0.073 67.8 166.1-172.7 38.6 10.9 -2.9 11.5 34 34 A K E 3 + 0 0 144 -5,-0.3 -5,-0.2 1,-0.2 -6,-0.1 -0.015 67.4 30.3 -57.6 168.8 11.7 -2.7 7.8 35 35 A S E 3 S+ 0 0 78 1,-0.1 -1,-0.2 2,-0.1 -6,-0.2 0.800 79.6 149.2 47.4 29.8 10.2 -5.3 5.4 36 36 A A E < - 0 0 29 -8,-0.9 2,-0.3 -3,-0.6 -7,-0.1 0.945 64.5 -8.5 -56.8 -53.7 7.3 -5.4 7.8 37 37 A Y E +D 28 0A 81 -9,-0.8 -9,-2.3 2,-0.0 2,-0.3 -0.993 61.3 169.1-149.0 153.9 4.7 -6.1 5.2 38 38 A Q E +D 27 0A 91 -2,-0.3 15,-0.4 -11,-0.2 -11,-0.2 -0.974 19.4 117.9-161.3 149.8 4.2 -6.4 1.4 39 39 A G E -D 26 0A 12 -13,-1.1 -13,-0.8 -2,-0.3 2,-0.3 -0.553 53.7 -64.0-170.8-121.0 1.6 -7.7 -1.0 40 40 A R E -D 25 0A 45 -15,-0.2 11,-1.9 -2,-0.2 2,-0.3 -0.966 32.4-146.1-154.2 164.2 -0.6 -6.3 -3.8 41 41 A Y E -E 50 0A 2 -17,-0.5 -38,-0.6 -2,-0.3 2,-0.5 -0.967 6.7-143.0-139.4 156.9 -3.4 -3.9 -4.3 42 42 A E E -E 49 0A 100 7,-1.5 7,-1.0 -2,-0.3 2,-0.5 -0.974 17.0-150.3-120.4 127.3 -6.5 -3.4 -6.4 43 43 A V E +E 48 0A 13 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.866 20.2 168.3-104.4 128.0 -7.5 0.1 -7.6 44 44 A R E > S-E 47 0A 217 3,-3.4 3,-1.6 -2,-0.5 -2,-0.0 -0.848 76.0 -30.8-139.5 99.8 -11.2 1.0 -8.2 45 45 A G T 3 S- 0 0 78 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.906 126.2 -45.8 58.9 42.8 -12.1 4.6 -8.7 46 46 A A T 3 S+ 0 0 38 1,-0.3 16,-3.5 15,-0.1 2,-0.5 0.315 118.0 119.1 81.8 -7.3 -9.3 5.8 -6.5 47 47 A H E < +EF 44 61A 99 -3,-1.6 -3,-3.4 14,-0.3 2,-0.4 -0.797 39.8 174.2 -93.8 125.7 -10.3 3.1 -3.9 48 48 A I E -EF 43 60A 2 12,-1.9 12,-2.7 -2,-0.5 2,-0.3 -0.987 15.6-168.9-136.5 146.0 -7.6 0.5 -3.2 49 49 A N E -E 42 0A 76 -7,-1.0 -7,-1.5 -2,-0.4 2,-0.7 -0.970 22.3-127.3-131.6 145.3 -7.2 -2.4 -0.8 50 50 A Y E -E 41 0A 3 -2,-0.3 8,-3.0 8,-0.2 2,-0.8 -0.834 19.1-170.9 -96.8 117.1 -4.1 -4.5 0.0 51 51 A W B -I 57 0B 148 -11,-1.9 6,-0.2 -2,-0.7 2,-0.0 -0.807 13.6-162.8-109.2 91.0 -4.5 -8.3 -0.3 52 52 A D > - 0 0 3 4,-1.4 3,-0.6 -2,-0.8 -13,-0.2 -0.308 23.0-135.5 -71.2 155.6 -1.4 -9.9 1.1 53 53 A D T 3 S+ 0 0 125 -15,-0.4 -1,-0.1 1,-0.2 -14,-0.1 0.585 98.3 73.3 -85.2 -12.7 -0.5 -13.5 0.4 54 54 A T T 3 S- 0 0 99 2,-0.1 -1,-0.2 1,-0.0 3,-0.1 0.099 127.0 -87.8 -90.0 24.8 0.3 -14.1 4.1 55 55 A G S < S+ 0 0 77 -3,-0.6 2,-0.3 1,-0.3 -2,-0.1 0.734 93.6 116.8 79.4 24.6 -3.4 -14.1 5.0 56 56 A F - 0 0 65 -4,-0.1 -4,-1.4 2,-0.0 2,-0.3 -0.823 38.0-175.2-121.4 163.6 -3.7 -10.3 5.5 57 57 A T B -I 51 0B 99 -2,-0.3 -6,-0.3 -6,-0.2 2,-0.2 -0.970 0.9-173.9-158.6 141.3 -5.7 -7.6 3.8 58 58 A A - 0 0 15 -8,-3.0 2,-0.3 -2,-0.3 -8,-0.2 -0.701 11.3-142.2-126.7 178.4 -6.0 -3.8 4.1 59 59 A D + 0 0 108 -10,-0.3 12,-2.0 -2,-0.2 -10,-0.3 -0.997 26.2 141.8-146.8 147.3 -8.1 -1.0 2.6 60 60 A G E -FG 48 70A 4 -12,-2.7 -12,-1.9 -2,-0.3 10,-0.3 -0.939 26.5-142.2-165.3-175.1 -7.6 2.5 1.4 61 61 A D E -FG 47 69A 48 8,-2.8 8,-0.7 -14,-0.3 2,-0.6 -0.859 27.8-112.1-168.2 129.5 -8.5 5.2 -1.1 62 62 A F + 0 0 37 -16,-3.5 6,-0.2 -2,-0.3 3,-0.0 -0.508 29.2 179.8 -67.5 110.3 -6.6 8.0 -2.9 63 63 A V + 0 0 78 -2,-0.6 2,-0.2 4,-0.2 -1,-0.2 0.664 69.0 3.6 -84.3 -18.6 -8.0 11.2 -1.6 64 64 A S S S- 0 0 76 3,-1.1 0, 0.0 -18,-0.1 0, 0.0 -0.766 85.3 -88.8-147.5-168.1 -5.7 13.3 -3.8 65 65 A A S S+ 0 0 77 -2,-0.2 -3,-0.0 1,-0.1 -1,-0.0 0.757 126.8 17.0 -83.6 -27.2 -3.0 13.1 -6.5 66 66 A N S S+ 0 0 85 10,-0.0 11,-2.2 12,-0.0 2,-0.3 0.349 113.4 85.9-124.2 0.1 -0.1 12.8 -4.0 67 67 A E E - H 0 76A 66 9,-0.2 -3,-1.1 -58,-0.1 2,-0.4 -0.797 55.5-163.7-107.0 148.5 -2.1 11.8 -0.9 68 68 A L E - H 0 75A 0 7,-1.6 7,-2.4 -2,-0.3 2,-0.5 -0.984 7.1-160.2-132.1 142.6 -3.1 8.3 0.2 69 69 A H E +GH 61 74A 65 -8,-0.7 -8,-2.8 -2,-0.4 2,-0.3 -0.925 28.3 145.2-126.6 107.8 -5.6 7.1 2.8 70 70 A H E > -GH 60 73A 26 3,-0.9 3,-1.5 -2,-0.5 -10,-0.3 -0.997 70.0 -3.0-144.3 136.4 -5.3 3.6 4.1 71 71 A G T 3 S- 0 0 50 -12,-2.0 -11,-0.1 -2,-0.3 3,-0.1 0.743 129.8 -58.7 57.4 22.0 -6.0 2.0 7.4 72 72 A G T 3 S+ 0 0 75 1,-0.3 -1,-0.3 -13,-0.2 2,-0.3 0.765 111.8 122.8 78.9 26.1 -6.8 5.5 8.6 73 73 A M E < - H 0 70A 83 -3,-1.5 -3,-0.9 2,-0.0 2,-0.6 -0.758 60.1-128.7-117.4 165.2 -3.4 6.8 7.7 74 74 A T E - H 0 69A 46 -2,-0.3 2,-0.5 -5,-0.2 -62,-0.4 -0.928 26.7-177.8-118.5 107.4 -2.1 9.6 5.5 75 75 A F E - H 0 68A 3 -7,-2.4 -7,-1.6 -2,-0.6 2,-0.3 -0.910 8.9-157.7-109.6 128.1 0.6 8.6 3.0 76 76 A Y E -BH 10 67A 66 -66,-3.9 -66,-3.1 -2,-0.5 2,-0.2 -0.782 26.7-104.3-104.0 146.3 2.2 11.0 0.6 77 77 A R E S-B 9 0A 67 -11,-2.2 2,-4.9 -2,-0.3 -68,-0.2 -0.504 78.8 -42.5 -72.9 135.3 4.0 10.1 -2.6 78 78 A E 0 0 113 -70,-2.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.046 360.0 360.0 43.8 -55.0 7.8 10.1 -2.6 79 79 A K 0 0 153 -2,-4.9 -1,-0.1 -13,-0.1 -68,-0.0 0.900 360.0 360.0 64.5 360.0 7.8 13.4 -0.6