==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER EPIMERASE 05-OCT-03 1UPI . COMPND 2 MOLECULE: DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR C.-Y.KIM,C.NARANJO,G.S.WALDO,T.LEKIN,B.W.SEGELKE, . 200 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 30.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 1 0.5 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 . 22 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 4 0 2 2 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 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 1 A M 0 0 72 0, 0.0 2,-0.1 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 104.7 -12.7 53.0 30.6 2 2 A K E -A 15 0A 172 13,-1.2 13,-3.1 12,-0.1 2,-0.4 -0.372 360.0-170.3 -69.8 127.9 -13.3 49.4 31.9 3 3 A A E -A 14 0A 39 11,-0.2 2,-0.5 -2,-0.1 11,-0.2 -0.993 2.6-174.1-125.5 122.1 -11.4 46.7 29.8 4 4 A R E -A 13 0A 112 9,-2.7 9,-2.9 -2,-0.4 2,-0.2 -0.988 24.2-126.8-121.6 119.8 -12.2 43.0 30.4 5 5 A E E -A 12 0A 89 -2,-0.5 7,-0.3 7,-0.2 2,-0.0 -0.434 28.3-132.6 -64.2 135.5 -10.2 40.3 28.6 6 6 A L - 0 0 9 5,-3.0 5,-0.2 2,-0.5 4,-0.1 -0.249 30.0 -93.7 -79.5 175.5 -12.4 37.9 26.8 7 7 A D S S+ 0 0 117 1,-0.1 -1,-0.1 93,-0.1 90,-0.1 0.655 119.4 70.4 -63.7 -22.0 -12.2 34.0 27.0 8 8 A V S > S- 0 0 0 3,-0.1 3,-1.5 77,-0.0 -2,-0.5 -0.902 97.6-128.4 -91.4 108.0 -10.1 34.4 23.9 9 9 A P T 3 S+ 0 0 44 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.257 92.7 35.2 -58.3 140.4 -6.9 36.0 25.1 10 10 A G T 3 S+ 0 0 14 1,-0.3 104,-2.0 -4,-0.1 2,-0.4 0.525 99.7 95.5 88.4 3.5 -5.8 39.1 23.2 11 11 A A E < - B 0 113A 0 -3,-1.5 -5,-3.0 102,-0.2 2,-0.4 -0.989 55.9-172.3-121.3 139.6 -9.5 40.2 22.7 12 12 A W E -AB 5 112A 47 100,-2.2 100,-2.7 -2,-0.4 2,-0.5 -0.973 25.1-138.9-134.6 144.9 -11.1 42.6 25.1 13 13 A E E -AB 4 111A 25 -9,-2.9 -9,-2.7 -2,-0.4 2,-0.5 -0.929 26.3-162.4 -97.3 123.7 -14.5 44.1 25.8 14 14 A I E -AB 3 110A 2 96,-3.3 96,-2.7 -2,-0.5 -11,-0.2 -0.904 6.4-165.2-109.2 131.8 -14.2 47.8 26.6 15 15 A T E -A 2 0A 31 -13,-3.1 -13,-1.2 -2,-0.5 94,-0.1 -0.980 17.5-140.5-117.4 122.4 -16.9 49.7 28.4 16 16 A P - 0 0 16 0, 0.0 2,-0.7 0, 0.0 13,-0.1 -0.275 16.4-114.6 -78.8 163.0 -16.7 53.5 28.2 17 17 A T - 0 0 81 11,-0.3 2,-0.6 -2,-0.0 11,-0.5 -0.909 37.0-152.6 -90.0 114.0 -17.4 56.1 30.8 18 18 A I E -F 27 0B 55 -2,-0.7 2,-0.6 9,-0.1 9,-0.2 -0.852 3.3-153.0 -99.1 122.7 -20.4 57.9 29.3 19 19 A H E -F 26 0B 82 7,-2.9 7,-1.9 -2,-0.6 2,-0.4 -0.846 14.4-165.1 -98.1 119.6 -20.9 61.5 30.4 20 20 A V E +F 25 0B 113 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.859 19.5 146.8-111.4 137.7 -24.5 62.5 30.2 21 21 A D E > -F 24 0B 57 3,-3.0 3,-0.9 -2,-0.4 -2,-0.0 -0.876 63.0 -72.0-152.1-172.5 -25.7 66.1 30.3 22 22 A S T 3 S+ 0 0 129 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.797 126.8 53.1 -61.4 -28.2 -28.4 68.5 29.1 23 23 A R T 3 S- 0 0 198 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.712 121.8 -96.4 -78.4 -23.5 -26.9 68.4 25.5 24 24 A G E < -F 21 0B 35 -3,-0.9 -3,-3.0 2,-0.0 2,-0.3 -0.983 61.5 -46.2 144.7-129.8 -26.9 64.6 25.2 25 25 A L E -F 20 0B 80 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.943 39.6-168.8-140.0 161.5 -23.9 62.5 26.0 26 26 A F E +F 19 0B 101 -7,-1.9 -7,-2.9 -2,-0.3 2,-0.3 -0.981 10.7 168.4-140.8 147.2 -20.1 62.3 25.2 27 27 A F E -F 18 0B 52 -2,-0.3 2,-0.7 -9,-0.2 -9,-0.1 -0.987 38.7-112.1-152.9 163.0 -17.5 59.7 25.7 28 28 A E - 0 0 124 -11,-0.5 -11,-0.3 -2,-0.3 3,-0.2 -0.842 27.0-172.3 -93.2 115.4 -14.0 58.9 24.7 29 29 A W S S+ 0 0 50 -2,-0.7 2,-0.4 1,-0.4 -1,-0.2 0.921 73.3 7.2 -71.6 -52.4 -14.1 55.9 22.4 30 30 A L + 0 0 56 -3,-0.1 -1,-0.4 43,-0.0 2,-0.4 -1.000 63.5 179.7-126.6 142.2 -10.4 55.4 22.3 31 31 A T > - 0 0 18 -2,-0.4 4,-2.8 -3,-0.2 5,-0.2 -0.989 31.6-132.2-131.0 149.2 -7.7 57.0 24.2 32 32 A D H > S+ 0 0 82 -2,-0.4 4,-3.0 1,-0.2 5,-0.2 0.929 109.6 48.4 -62.0 -41.9 -4.0 56.2 23.7 33 33 A H H > S+ 0 0 140 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.928 114.2 45.4 -67.0 -40.7 -3.5 55.9 27.5 34 34 A G H > S+ 0 0 13 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.898 116.2 46.4 -67.7 -43.8 -6.6 53.7 27.9 35 35 A F H >X S+ 0 0 1 -4,-2.8 4,-3.1 1,-0.2 3,-1.2 0.953 110.4 51.6 -63.4 -52.9 -5.6 51.5 25.0 36 36 A R H 3X S+ 0 0 122 -4,-3.0 4,-2.4 1,-0.3 -1,-0.2 0.837 101.6 65.2 -54.4 -33.6 -2.0 51.2 26.0 37 37 A A H 3< S+ 0 0 88 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.792 116.9 22.6 -61.2 -39.6 -3.1 50.1 29.5 38 38 A F H << S+ 0 0 29 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.774 131.1 41.4 -97.7 -34.6 -4.7 46.9 28.4 39 39 A A H < S- 0 0 19 -4,-3.1 -3,-0.2 2,-0.2 -2,-0.2 0.669 93.6-134.8 -91.7 -16.9 -2.9 46.3 25.0 40 40 A G S < S+ 0 0 39 -4,-2.4 2,-0.3 -5,-0.4 -4,-0.2 0.530 79.3 52.6 72.7 4.6 0.6 47.2 26.2 41 41 A H S S- 0 0 7 -6,-0.3 2,-0.3 159,-0.1 -2,-0.2 -0.941 92.6 -86.7-156.1 172.8 1.2 49.3 23.0 42 42 A S - 0 0 47 -2,-0.3 2,-0.6 157,-0.3 -10,-0.1 -0.625 40.2-115.1 -86.9 143.4 -0.4 52.1 21.0 43 43 A L - 0 0 21 -2,-0.3 2,-1.3 -11,-0.1 -1,-0.1 -0.667 21.2-148.9 -77.3 118.4 -3.0 51.4 18.4 44 44 A D - 0 0 102 -2,-0.6 2,-0.7 89,-0.0 -1,-0.1 -0.686 14.3-155.7 -88.8 91.3 -1.7 52.4 14.9 45 45 A V + 0 0 63 -2,-1.3 90,-0.2 1,-0.2 3,-0.1 -0.547 30.0 157.1 -75.6 108.3 -4.8 53.4 13.1 46 46 A R + 0 0 136 88,-2.6 2,-0.3 -2,-0.7 -1,-0.2 0.541 67.3 13.7-104.6 -14.8 -4.3 53.0 9.4 47 47 A Q E -C 134 0A 47 87,-1.4 87,-3.0 90,-0.1 2,-0.4 -0.972 56.4-159.7-160.5 146.9 -7.9 52.7 8.4 48 48 A V E -C 133 0A 69 -2,-0.3 2,-0.3 85,-0.2 85,-0.2 -0.982 16.2-169.6-134.2 124.4 -11.3 53.2 9.8 49 49 A N E -C 132 0A 43 83,-2.3 83,-2.3 -2,-0.4 2,-0.4 -0.784 6.5-163.8-115.3 156.3 -14.4 51.6 8.3 50 50 A C E -C 131 0A 77 -2,-0.3 2,-0.4 81,-0.2 81,-0.2 -0.999 6.7-178.1-140.8 133.2 -18.1 52.0 8.8 51 51 A S E -C 130 0A 18 79,-2.5 79,-2.4 -2,-0.4 2,-0.4 -0.979 15.5-153.6-127.9 152.5 -21.0 49.7 7.9 52 52 A V E -C 129 0A 76 -2,-0.4 2,-0.4 77,-0.2 77,-0.2 -0.985 24.1-174.9-121.6 131.3 -24.7 50.0 8.2 53 53 A S E -C 128 0A 4 75,-1.9 75,-2.6 -2,-0.4 72,-0.1 -0.971 20.4-132.9-129.3 142.1 -26.5 46.7 8.4 54 54 A S > - 0 0 61 -2,-0.4 3,-1.8 72,-0.2 69,-0.3 -0.426 54.0 -66.7 -86.1 167.9 -30.1 45.6 8.5 55 55 A A T 3 S+ 0 0 32 1,-0.2 69,-0.2 69,-0.1 -1,-0.2 -0.244 120.6 19.5 -55.4 134.3 -31.3 43.0 11.0 56 56 A G T 3 S+ 0 0 8 67,-3.4 110,-2.2 1,-0.3 2,-0.3 0.364 82.8 139.8 83.3 -0.2 -29.9 39.5 10.5 57 57 A V B < -g 166 0C 23 -3,-1.8 66,-2.8 108,-0.2 2,-0.5 -0.575 34.0-163.3 -75.8 133.2 -26.9 40.6 8.4 58 58 A L E -H 122 0D 2 108,-2.5 2,-0.5 -2,-0.3 110,-0.4 -0.981 6.7-172.5-121.4 120.0 -23.8 38.6 9.3 59 59 A R E -H 121 0D 97 62,-2.4 62,-2.4 -2,-0.5 2,-0.2 -0.973 36.3 -40.4-111.6 125.7 -20.4 39.8 8.3 60 60 A G E - 0 0 0 -2,-0.5 88,-0.5 60,-0.2 60,-0.2 -0.822 11.1-137.6 141.1 178.8 -17.4 37.6 8.9 61 61 A L E + 0 0 0 58,-0.4 85,-2.7 86,-0.3 2,-0.3 0.356 58.2 162.3-102.7 123.4 -15.4 35.7 9.8 62 62 A H E +HI 119 145D 46 57,-2.8 57,-2.2 83,-0.2 2,-0.3 -0.805 9.4 162.8-107.1 149.8 -12.4 37.7 8.7 63 63 A F E - I 0 144D 1 81,-1.9 81,-2.7 -2,-0.3 2,-0.4 -0.944 25.0-134.1-148.3 167.1 -8.8 37.7 9.5 64 64 A A E - I 0 143D 6 53,-0.4 52,-0.4 -2,-0.3 6,-0.4 -0.978 29.6-107.2-126.2 138.2 -5.6 39.0 8.1 65 65 A Q > - 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0 0 7 0, 0.0 -97,-2.7 0, 0.0 2,-0.5 -0.264 28.5-121.7 -61.6 152.5 -1.9 32.6 12.0 188 188 A R B > -l 90 0E 131 -99,-0.3 4,-2.9 1,-0.1 3,-0.3 -0.907 5.4-141.7-100.2 124.6 0.5 31.1 14.5 189 189 A W H > S+ 0 0 46 -99,-2.0 4,-3.0 -2,-0.5 5,-0.3 0.883 102.2 57.2 -40.5 -51.9 0.2 31.9 18.2 190 190 A E H > S+ 0 0 117 -100,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.928 113.5 38.0 -55.7 -48.0 4.0 31.9 18.6 191 191 A Q H > S+ 0 0 97 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.860 115.8 51.0 -74.2 -34.9 4.4 34.6 15.9 192 192 A T H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.936 112.5 47.6 -68.5 -39.6 1.4 36.7 16.8 193 193 A Q H X S+ 0 0 85 -4,-3.0 4,-1.6 -5,-0.2 -2,-0.2 0.909 115.2 46.1 -62.7 -43.0 2.5 36.8 20.4 194 194 A R H X S+ 0 0 160 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.856 110.6 52.0 -67.2 -38.2 6.0 37.7 19.3 195 195 A F H X S+ 0 0 42 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.895 111.2 47.6 -65.1 -40.3 4.7 40.4 16.8 196 196 A I H X S+ 0 0 28 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.842 110.0 54.5 -69.4 -32.1 2.7 42.0 19.6 197 197 A G H < S+ 0 0 45 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.873 102.8 54.7 -69.2 -36.8 5.7 41.8 21.9 198 198 A E H < S+ 0 0 122 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.812 110.5 47.5 -68.6 -27.3 7.9 43.7 19.4 199 199 A M H < 0 0 57 -4,-1.1 -157,-0.3 -5,-0.1 -1,-0.2 0.833 360.0 360.0 -74.7 -36.7 5.2 46.5 19.4 200 200 A R < 0 0 85 -4,-1.6 -3,-0.1 -159,-0.1 -159,-0.1 0.675 360.0 360.0 -70.7 360.0 5.0 46.5 23.2