==== 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 03-OCT-08 3ES4 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN DUF861 WITH A RMLC-LIKE C . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR. C58; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 232 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11011.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 63.8 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 . 112 48.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 0 0.0 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 . 17 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 4.7 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+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 . 0 1 5 2 4 0 4 2 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 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 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 G 0 0 74 0, 0.0 6,-0.1 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 169.7 -20.6 0.0 36.9 2 1 A X + 0 0 192 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.836 360.0 16.7 -65.2 -34.8 -21.8 -3.1 35.1 3 2 A T S S+ 0 0 86 1,-0.2 -1,-0.2 3,-0.1 193,-0.0 0.631 128.6 17.9-114.4 -22.2 -25.5 -2.0 35.4 4 3 A X S S- 0 0 14 2,-0.2 2,-2.4 188,-0.0 -1,-0.2 -0.924 88.4 -83.8-146.5 168.7 -25.6 1.7 36.3 5 4 A P S S+ 0 0 50 0, 0.0 203,-2.3 0, 0.0 2,-0.5 -0.454 76.0 135.4 -77.4 65.6 -23.5 4.9 36.3 6 5 A I E +A 207 0A 19 -2,-2.4 201,-0.2 201,-0.2 2,-0.2 -0.992 30.1 177.5-114.3 117.9 -22.0 3.9 39.6 7 6 A F E -A 206 0A 47 199,-3.3 199,-2.6 -2,-0.5 2,-0.4 -0.667 22.7-132.4-113.8 170.5 -18.2 4.6 39.6 8 7 A N E > -A 205 0A 51 197,-0.2 3,-1.9 -2,-0.2 197,-0.2 -0.997 7.7-142.6-132.8 129.6 -15.5 4.1 42.2 9 8 A I T 3 S+ 0 0 1 195,-2.7 196,-0.1 -2,-0.4 -1,-0.1 0.705 100.8 59.5 -60.1 -26.2 -13.0 6.8 43.0 10 9 A S T 3 S+ 0 0 56 194,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.509 81.0 107.6 -81.7 -7.0 -10.3 4.1 43.6 11 10 A D < - 0 0 73 -3,-1.9 2,-1.0 1,-0.1 -4,-0.0 -0.527 63.7-146.4 -74.9 137.5 -10.6 2.7 40.1 12 11 A D + 0 0 107 -2,-0.2 2,-0.4 3,-0.0 3,-0.1 -0.658 53.0 136.0-100.0 73.9 -7.7 3.4 37.7 13 12 A V - 0 0 61 -2,-1.0 -2,-0.1 1,-0.2 0, 0.0 -0.975 67.2 -3.8-127.9 132.1 -10.1 3.5 34.7 14 13 A D S S+ 0 0 130 -2,-0.4 18,-0.4 1,-0.2 2,-0.2 0.852 85.5 175.7 54.2 38.7 -10.0 6.1 31.8 15 14 A L - 0 0 46 16,-0.1 16,-0.2 -3,-0.1 -1,-0.2 -0.530 19.8-160.7 -76.4 141.3 -7.2 8.0 33.5 16 15 A V E -G 30 0B 64 14,-2.6 14,-2.7 -2,-0.2 -1,-0.0 -0.988 28.7-112.1-118.3 124.7 -5.7 11.0 31.8 17 16 A P E -G 29 0B 98 0, 0.0 12,-0.3 0, 0.0 2,-0.2 -0.307 38.7-165.7 -57.3 144.8 -2.3 12.1 33.1 18 17 A A - 0 0 30 10,-2.5 10,-0.2 30,-0.1 29,-0.0 -0.660 37.2 -59.6-124.1 174.4 -2.4 15.5 34.8 19 18 A X - 0 0 142 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.389 60.3-135.9 -58.8 126.3 0.2 18.1 35.9 20 19 A P - 0 0 45 0, 0.0 7,-0.1 0, 0.0 -1,-0.1 -0.260 30.9 -76.8 -79.4 170.6 2.6 16.4 38.4 21 20 A A > - 0 0 1 5,-0.5 3,-2.1 30,-0.1 33,-0.2 -0.262 56.2 -99.2 -58.8 151.6 3.9 17.8 41.6 22 21 A E T 3 S+ 0 0 139 31,-2.5 -1,-0.1 1,-0.3 32,-0.1 0.819 122.5 38.3 -55.2 -31.4 6.7 20.4 41.1 23 22 A G T 3 S+ 0 0 75 30,-0.2 -1,-0.3 2,-0.0 2,-0.3 -0.065 109.8 74.7-109.3 33.6 9.5 17.9 41.7 24 23 A R < - 0 0 97 -3,-2.1 3,-0.1 1,-0.0 28,-0.0 -0.877 58.7-153.4-139.1 166.8 7.9 14.9 40.1 25 24 A D S S+ 0 0 168 -2,-0.3 2,-0.3 -6,-0.1 3,-0.1 0.204 80.7 5.6-125.9 1.8 7.2 13.5 36.5 26 25 A G S S+ 0 0 35 -5,-0.1 -5,-0.5 1,-0.1 24,-0.2 -0.889 72.4 98.5-159.9-166.2 4.2 11.4 37.2 27 26 A G + 0 0 19 -2,-0.3 23,-2.5 1,-0.2 2,-0.3 0.793 68.6 101.9 82.7 28.0 1.8 10.4 39.9 28 27 A S E + H 0 49B 3 21,-0.2 -10,-2.5 -10,-0.2 2,-0.3 -0.964 40.5 160.4-147.4 126.9 -1.0 12.7 38.9 29 28 A Y E -GH 17 48B 90 19,-2.5 19,-2.8 -2,-0.3 2,-0.3 -0.983 22.5-151.9-146.8 155.8 -4.2 11.8 37.0 30 29 A R E -GH 16 47B 109 -14,-2.7 -14,-2.6 -2,-0.3 2,-0.4 -0.933 4.7-167.7-125.8 145.9 -7.7 13.1 36.2 31 30 A R E - H 0 46B 18 15,-2.3 15,-3.0 -2,-0.3 2,-0.4 -0.941 17.9-140.1-133.7 116.4 -10.8 11.1 35.4 32 31 A Q E + H 0 45B 87 -2,-0.4 13,-0.3 -18,-0.4 3,-0.1 -0.587 22.7 175.3 -77.5 129.2 -13.9 13.0 34.0 33 32 A I E - 0 0 18 11,-2.6 2,-0.3 -2,-0.4 12,-0.2 0.825 62.3 -2.2 -97.9 -44.6 -17.1 11.6 35.5 34 33 A W E - H 0 44B 39 10,-2.2 10,-3.0 147,-0.0 2,-0.4 -0.995 52.0-172.0-152.9 141.7 -19.7 13.9 34.1 35 34 A Q E - H 0 43B 79 -2,-0.3 8,-0.2 8,-0.2 7,-0.1 -0.998 32.7-112.2-134.7 137.5 -20.1 17.0 32.0 36 35 A D - 0 0 17 6,-2.5 2,-1.6 -2,-0.4 5,-0.4 -0.378 29.4-119.8 -62.9 145.0 -23.2 19.0 31.3 37 36 A D S S+ 0 0 155 3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.538 80.5 95.1 -90.8 63.3 -24.5 18.8 27.8 38 37 A V S S- 0 0 76 -2,-1.6 3,-0.5 4,-0.1 0, 0.0 -0.810 92.7 -86.1-136.5-176.7 -24.2 22.5 27.1 39 38 A E S S- 0 0 202 -2,-0.3 2,-0.1 1,-0.3 -2,-0.0 0.870 115.6 -1.7 -66.5 -36.3 -21.4 24.6 25.4 40 39 A N S S+ 0 0 100 74,-0.1 -1,-0.3 -3,-0.0 2,-0.1 -0.504 94.9 151.3-156.3 73.8 -19.3 25.2 28.5 41 40 A G - 0 0 7 -3,-0.5 71,-0.1 -5,-0.4 -4,-0.0 -0.298 47.0 -54.4-108.3-171.8 -20.9 23.6 31.5 42 41 A T - 0 0 7 71,-0.1 -6,-2.5 -2,-0.1 2,-0.4 -0.286 47.7-160.9 -64.0 142.0 -20.2 22.1 34.9 43 42 A I E -HI 35 112B 37 69,-2.2 69,-2.8 -8,-0.2 2,-0.5 -0.961 8.9-158.9-125.6 139.9 -17.8 19.2 35.0 44 43 A V E +HI 34 111B 0 -10,-3.0 -11,-2.6 -2,-0.4 -10,-2.2 -0.993 28.1 161.6-117.9 126.1 -17.5 16.6 37.8 45 44 A A E -HI 32 110B 15 65,-2.4 65,-2.9 -2,-0.5 2,-0.3 -0.994 36.5-122.9-146.5 151.2 -14.1 14.9 37.8 46 45 A V E -HI 31 109B 2 -15,-3.0 -15,-2.3 -2,-0.3 2,-0.4 -0.739 21.9-166.6 -86.8 140.5 -11.8 12.8 40.0 47 46 A W E -HI 30 108B 25 61,-2.2 61,-2.4 -2,-0.3 2,-0.4 -0.998 4.7-173.9-124.0 135.3 -8.2 14.0 40.6 48 47 A X E +HI 29 107B 10 -19,-2.8 -19,-2.5 -2,-0.4 2,-0.3 -0.959 9.6 169.5-126.7 142.7 -5.7 11.6 42.1 49 48 A A E -HI 28 106B 3 57,-2.3 57,-2.7 -2,-0.4 -21,-0.2 -0.994 26.2-130.3-156.1 147.0 -2.2 12.6 43.1 50 49 A E - 0 0 68 -23,-2.5 52,-0.2 -2,-0.3 54,-0.1 -0.490 55.3 -60.7 -92.5 165.4 0.8 11.4 44.9 51 50 A P S S+ 0 0 42 0, 0.0 2,-0.3 0, 0.0 52,-0.2 -0.114 88.4 80.1 -48.8 138.3 2.8 13.2 47.7 52 51 A G E S-M 102 0C 21 50,-1.4 50,-2.6 -3,-0.1 2,-0.5 -0.908 79.3 -56.5 149.6-178.8 4.3 16.6 46.7 53 52 A I E -M 101 0C 20 -2,-0.3 -31,-2.5 48,-0.2 2,-0.5 -0.834 39.0-175.3-100.7 128.2 3.6 20.3 46.1 54 53 A Y E -M 100 0C 5 46,-2.2 46,-2.9 -2,-0.5 2,-0.4 -0.979 7.2-167.3-126.0 115.0 0.9 21.4 43.6 55 54 A N E -M 99 0C 78 -2,-0.5 2,-0.4 44,-0.2 44,-0.2 -0.823 3.5-172.8-105.8 138.0 0.6 25.1 43.0 56 55 A Y E -M 98 0C 48 42,-2.8 42,-2.3 -2,-0.4 3,-0.1 -0.994 13.9-145.1-132.4 128.1 -2.4 26.7 41.3 57 56 A A - 0 0 77 -2,-0.4 39,-0.1 40,-0.2 38,-0.1 -0.355 49.3 -73.4 -72.1 169.5 -2.8 30.3 40.2 58 57 A G - 0 0 32 37,-0.4 2,-0.3 39,-0.1 -1,-0.2 -0.418 58.0-159.1 -62.7 142.0 -6.2 31.8 40.3 59 58 A R - 0 0 106 37,-0.3 36,-2.4 34,-0.3 2,-2.2 -0.885 28.9-108.5-128.8 157.4 -8.4 30.5 37.5 60 59 A D S S+ 0 0 107 -2,-0.3 55,-2.4 34,-0.2 2,-0.3 -0.413 90.8 77.7 -84.8 62.8 -11.6 31.7 35.8 61 60 A L E S-J 114 0B 34 -2,-2.2 2,-0.4 53,-0.3 34,-0.3 -0.972 73.5-124.5-161.1 155.6 -13.7 29.0 37.3 62 61 A E E -J 113 0B 35 51,-2.7 51,-3.0 -2,-0.3 2,-0.4 -0.920 32.8-174.4-105.4 139.7 -15.5 28.2 40.6 63 62 A E E -JK 112 92B 12 29,-2.2 29,-2.9 -2,-0.4 2,-0.4 -0.999 19.2-178.8-135.6 141.8 -14.7 24.9 42.2 64 63 A T E +JK 111 91B 0 47,-2.1 47,-3.0 -2,-0.4 2,-0.3 -0.997 18.7 174.5-129.0 132.4 -15.8 22.8 45.2 65 64 A F E -JK 110 90B 4 25,-2.8 25,-2.8 -2,-0.4 2,-0.4 -0.910 21.4-146.6-128.6 161.8 -14.2 19.5 45.9 66 65 A V E -JK 109 89B 0 43,-2.0 43,-2.2 -2,-0.3 2,-0.5 -0.996 19.4-130.3-126.9 134.0 -14.3 16.8 48.6 67 66 A V E +J 108 0B 0 21,-2.6 20,-3.0 -2,-0.4 41,-0.2 -0.724 29.2 169.5 -76.7 129.7 -11.4 14.8 49.7 68 67 A V E + 0 0 18 39,-2.8 2,-0.4 -2,-0.5 40,-0.2 0.717 66.8 22.4-107.6 -34.8 -12.2 11.0 49.8 69 68 A E E S+J 107 0B 59 38,-1.8 38,-2.3 16,-0.1 -1,-0.4 -0.993 103.3 8.5-134.9 142.9 -8.6 9.6 50.3 70 69 A G - 0 0 16 -2,-0.4 2,-0.3 36,-0.2 36,-0.1 0.009 67.5 -92.6 86.1 173.7 -5.4 10.9 51.7 71 70 A E + 0 0 83 33,-0.3 32,-2.9 14,-0.2 33,-1.3 -0.916 32.7 175.8-129.8 154.5 -4.2 14.0 53.5 72 71 A A E -NO 84 102C 0 12,-2.3 12,-3.1 -2,-0.3 2,-0.5 -0.991 33.9-122.1-152.6 151.2 -2.8 17.4 52.5 73 72 A L E -NO 83 101C 58 28,-2.6 28,-3.1 -2,-0.3 2,-0.4 -0.878 45.2-168.4 -90.3 131.9 -1.7 20.7 53.9 74 73 A Y E +NO 82 100C 4 8,-2.5 8,-2.2 -2,-0.5 2,-0.3 -0.966 17.4 168.9-134.7 137.0 -3.8 23.2 52.0 75 74 A S E - O 0 99C 17 24,-2.2 24,-2.6 -2,-0.4 2,-0.4 -0.988 15.6-158.3-144.4 151.3 -3.8 27.0 51.6 76 75 A Q E > - O 0 98C 16 -2,-0.3 3,-2.6 22,-0.3 22,-0.3 -0.988 65.7 -35.2-122.5 143.6 -5.5 29.6 49.4 77 76 A A T 3 S- 0 0 70 20,-2.2 19,-0.0 -2,-0.4 22,-0.0 -0.200 125.5 -20.8 49.7-128.4 -4.1 33.1 48.9 78 77 A D T 3 S+ 0 0 94 -3,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.137 101.1 128.8 -96.9 18.3 -2.4 34.3 52.0 79 78 A A < - 0 0 16 -3,-2.6 41,-0.1 39,-0.1 3,-0.1 -0.475 66.8-107.7 -77.4 148.0 -4.1 32.0 54.4 80 79 A D - 0 0 125 39,-0.2 -4,-0.1 -2,-0.1 -1,-0.1 -0.461 48.6-100.5 -63.7 139.5 -2.2 29.8 56.9 81 80 A P - 0 0 80 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.312 37.5-164.2 -66.1 147.8 -2.3 26.2 55.7 82 81 A V E -N 74 0C 59 -8,-2.2 -8,-2.5 -3,-0.1 2,-0.4 -0.980 25.2-108.4-126.7 153.1 -4.6 23.7 57.3 83 82 A K E -N 73 0C 126 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.605 35.3-170.5 -81.0 125.2 -4.6 19.9 57.1 84 83 A I E +N 72 0C 2 -12,-3.1 -12,-2.3 -2,-0.4 3,-0.1 -0.845 14.2 153.6-111.5 156.6 -7.4 18.5 55.0 85 84 A G > - 0 0 9 -2,-0.3 3,-2.6 -14,-0.2 -18,-0.4 -0.837 52.2 -18.8-161.2-168.3 -8.3 14.8 54.8 86 85 A P T 3 S+ 0 0 76 0, 0.0 -18,-0.2 0, 0.0 3,-0.1 -0.223 129.0 21.2 -54.6 128.9 -11.2 12.5 54.0 87 86 A G T 3 S+ 0 0 0 -20,-3.0 39,-3.0 1,-0.3 2,-0.4 0.238 86.5 134.8 95.4 -10.9 -14.4 14.4 54.4 88 87 A S E < - L 0 125B 16 -3,-2.6 -21,-2.6 37,-0.2 2,-0.5 -0.613 39.6-159.9 -71.5 127.2 -12.9 17.8 53.9 89 88 A I E -KL 66 124B 0 35,-3.3 35,-2.7 -2,-0.4 2,-0.4 -0.936 10.4-171.6-109.9 126.9 -15.0 19.9 51.5 90 89 A V E -KL 65 123B 0 -25,-2.8 -25,-2.8 -2,-0.5 2,-0.4 -0.976 10.6-163.0-126.9 129.2 -13.2 22.9 50.0 91 90 A S E -K 64 0B 11 31,-2.5 2,-0.4 -2,-0.4 -27,-0.2 -0.900 4.5-165.9-109.1 141.1 -14.5 25.7 47.8 92 91 A I E -K 63 0B 16 -29,-2.9 -29,-2.2 -2,-0.4 2,-0.1 -0.994 14.1-141.8-126.1 119.5 -12.2 27.9 45.7 93 92 A A > - 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