==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 11-MAY-11 3RYK . COMPND 2 MOLECULE: DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS STR. AMES; . AUTHOR A.S.HALAVATY,M.KUHN,G.MINASOV,L.SHUVALOVA,K.KWON,W.F.ANDERSO . 350 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 141 40.3 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 39 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 1 1 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 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 7 3 2 2 8 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 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 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 A 0 0 84 0, 0.0 2,-0.1 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0-167.5 -7.2 27.4 -38.1 2 1 A M - 0 0 17 15,-0.1 2,-0.3 16,-0.1 28,-0.0 -0.480 360.0-161.9 -70.4 140.3 -9.0 26.7 -34.9 3 2 A K E -A 16 0A 143 13,-2.6 13,-2.7 -2,-0.1 2,-0.5 -0.902 20.3-111.2-127.4 157.9 -12.8 26.5 -35.2 4 3 A V E -A 15 0A 53 -2,-0.3 11,-0.3 11,-0.2 3,-0.1 -0.719 20.8-173.9 -89.5 120.6 -15.9 26.6 -33.0 5 4 A I E S- 0 0 58 9,-3.3 2,-0.3 -2,-0.5 10,-0.2 0.901 70.5 -24.3 -79.0 -43.5 -17.8 23.4 -32.7 6 5 A E E -A 14 0A 53 8,-1.2 8,-2.7 2,-0.0 2,-0.4 -0.968 53.0-139.8-166.4 155.6 -20.7 24.9 -30.7 7 6 A T E +A 13 0A 64 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.979 24.0 179.4-123.8 133.4 -21.5 27.8 -28.4 8 7 A N E > +A 12 0A 34 4,-2.3 4,-2.2 -2,-0.4 3,-0.2 -0.969 61.6 16.1-135.7 152.1 -23.7 27.5 -25.3 9 8 A F T 4 S- 0 0 20 -2,-0.3 2,-2.1 1,-0.3 -1,-0.1 0.864 119.1 -78.8 55.2 37.6 -24.9 29.8 -22.6 10 9 A T T 4 S+ 0 0 99 1,-0.2 -1,-0.3 -3,-0.1 0, 0.0 -0.289 128.4 34.3 73.4 -50.0 -23.9 32.7 -24.8 11 10 A D T 4 S+ 0 0 73 -2,-2.1 2,-0.3 -3,-0.2 -1,-0.2 0.548 84.8 103.2-112.3 -16.4 -20.1 32.6 -24.1 12 11 A A E < -A 8 0A 0 -4,-2.2 -4,-2.3 102,-0.1 2,-0.4 -0.593 52.1-168.2 -74.0 132.7 -19.1 28.9 -23.5 13 12 A K E -AB 7 113A 31 100,-1.3 100,-2.6 -2,-0.3 2,-0.6 -0.981 22.0-154.1-132.9 127.2 -17.3 27.5 -26.6 14 13 A L E -AB 6 112A 8 -8,-2.7 -9,-3.3 -2,-0.4 -8,-1.2 -0.880 32.2-169.2 -94.2 121.9 -16.3 24.0 -27.6 15 14 A L E -AB 4 111A 0 96,-2.8 96,-2.3 -2,-0.6 -11,-0.2 -0.810 19.8-158.2-118.6 155.8 -13.3 24.4 -29.9 16 15 A E E -A 3 0A 85 -13,-2.7 -13,-2.6 -2,-0.3 2,-0.2 -0.981 14.7-140.9-135.4 124.8 -11.3 22.2 -32.3 17 16 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 -15,-0.1 -0.503 28.9-106.7 -81.8 150.1 -7.7 22.9 -33.5 18 17 A R - 0 0 131 11,-0.2 11,-0.6 -2,-0.2 2,-0.3 -0.650 38.4-152.7 -76.7 125.3 -6.6 22.2 -37.0 19 18 A L E -H 28 0B 56 -2,-0.4 2,-0.5 9,-0.1 9,-0.2 -0.758 8.8-156.3-101.9 148.6 -4.4 19.1 -37.0 20 19 A F E -H 27 0B 113 7,-2.3 7,-1.4 -2,-0.3 2,-0.2 -0.886 22.9-168.9-128.2 96.8 -1.7 18.4 -39.6 21 20 A G E +H 26 0B 52 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.482 17.2 169.6 -94.4 160.2 -0.9 14.7 -39.8 22 21 A D E > -H 25 0B 92 3,-2.6 3,-0.6 -2,-0.2 -2,-0.0 -0.836 54.5 -95.2-147.3 175.9 1.7 12.5 -41.4 23 22 A D T 3 S+ 0 0 171 -2,-0.3 3,-0.1 1,-0.2 207,-0.0 0.723 126.3 58.9 -71.6 -20.8 2.6 8.8 -41.2 24 23 A R T 3 S- 0 0 66 1,-0.2 206,-2.8 206,-0.1 207,-0.4 0.655 124.1 -89.2 -80.2 -22.9 5.1 10.1 -38.6 25 24 A G E < -HI 22 229B 12 -3,-0.6 -3,-2.6 204,-0.3 2,-0.3 -0.979 54.3 -70.5 150.0-133.9 2.5 11.6 -36.3 26 25 A F E -HI 21 228B 28 202,-1.9 202,-2.4 -2,-0.3 2,-0.3 -0.977 21.0-146.7-155.7 168.0 1.0 15.1 -36.2 27 26 A F E +HI 20 227B 65 -7,-1.4 -7,-2.3 -2,-0.3 2,-0.3 -0.983 20.9 169.2-136.3 144.4 1.4 18.8 -35.5 28 27 A T E -HI 19 226B 3 198,-2.2 198,-3.2 -2,-0.3 2,-0.9 -0.982 38.1-129.9-158.2 146.4 -1.0 21.3 -34.1 29 28 A E E - I 0 225B 63 -11,-0.6 196,-0.3 -2,-0.3 -11,-0.2 -0.907 27.2-173.5 -93.3 105.6 -1.1 24.9 -32.8 30 29 A S E S+ 0 0 2 194,-1.7 2,-0.3 -2,-0.9 195,-0.2 0.590 71.1 22.7 -79.8 -10.0 -3.1 24.0 -29.6 31 30 A Y E + I 0 224B 12 193,-1.5 193,-2.3 -3,-0.1 2,-0.3 -0.923 56.7 170.3-159.2 131.5 -3.4 27.8 -28.9 32 31 A N E > - I 0 223B 15 -2,-0.3 4,-2.3 191,-0.2 3,-0.3 -0.901 18.2-158.2-145.1 107.7 -3.1 30.9 -31.0 33 32 A K H > S+ 0 0 56 189,-2.1 4,-2.0 -2,-0.3 8,-0.1 0.922 93.4 47.1 -52.1 -56.1 -4.0 34.2 -29.2 34 33 A K H > S+ 0 0 109 188,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.789 111.7 52.5 -59.5 -32.5 -4.8 36.2 -32.3 35 34 A V H > S+ 0 0 19 -3,-0.3 4,-1.3 2,-0.2 3,-0.4 0.916 107.4 51.8 -70.4 -44.7 -6.9 33.3 -33.8 36 35 A L H <>S+ 0 0 4 -4,-2.3 5,-1.9 1,-0.2 3,-0.3 0.892 102.9 58.1 -59.3 -40.6 -9.0 33.1 -30.6 37 36 A E H ><5S+ 0 0 91 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.859 102.7 54.6 -59.1 -34.2 -9.7 36.8 -30.7 38 37 A T H 3<5S+ 0 0 110 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.896 105.9 52.9 -65.0 -37.3 -11.2 36.3 -34.2 39 38 A L T 3<5S- 0 0 41 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.195 127.7-100.8 -81.9 14.4 -13.5 33.6 -32.6 40 39 A G T < 5S+ 0 0 56 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.827 87.9 122.7 68.8 36.8 -14.7 36.1 -30.0 41 40 A V < + 0 0 4 -5,-1.9 2,-0.7 -8,-0.1 -2,-0.2 -0.893 31.8 171.3-130.5 94.5 -12.4 34.8 -27.2 42 41 A T + 0 0 92 -2,-0.5 2,-0.3 -5,-0.1 -8,-0.1 -0.908 20.2 132.0-112.4 102.2 -10.2 37.7 -26.0 43 42 A H - 0 0 50 -2,-0.7 2,-0.7 -10,-0.1 -6,-0.1 -0.991 49.2-138.0-150.8 146.0 -8.2 36.7 -22.9 44 43 A S - 0 0 75 -2,-0.3 2,-0.3 92,-0.1 -2,-0.0 -0.923 29.1-147.2-107.9 106.5 -4.6 37.0 -21.8 45 44 A F + 0 0 25 -2,-0.7 91,-0.3 1,-0.1 3,-0.1 -0.610 21.5 177.4 -79.7 135.7 -3.8 33.7 -20.1 46 45 A V + 0 0 23 89,-2.0 163,-2.8 -2,-0.3 2,-0.3 0.571 61.1 34.5-112.7 -15.5 -1.3 33.8 -17.2 47 46 A Q E -CD 135 208A 2 88,-1.5 88,-2.1 161,-0.2 2,-0.4 -0.995 54.5-155.9-147.0 146.6 -1.1 30.3 -15.9 48 47 A D E -CD 134 207A 1 159,-2.4 159,-1.9 -2,-0.3 158,-1.0 -0.998 17.4-165.1-122.3 126.8 -1.3 26.7 -17.3 49 48 A N E -CD 133 205A 4 84,-2.7 84,-2.4 -2,-0.4 2,-0.4 -0.860 6.3-156.4-113.8 145.2 -2.3 23.9 -14.9 50 49 A V E -CD 132 204A 9 154,-2.3 154,-1.6 -2,-0.3 2,-0.5 -0.991 5.4-165.1-127.5 120.6 -1.9 20.1 -15.4 51 50 A S E -CD 131 203A 8 80,-3.3 80,-2.8 -2,-0.4 2,-0.4 -0.936 3.6-169.2-107.5 118.1 -4.2 17.7 -13.6 52 51 A Y E -CD 130 202A 44 150,-2.9 150,-1.5 -2,-0.5 2,-0.4 -0.936 3.3-175.5-109.4 131.5 -3.1 14.0 -13.6 53 52 A S E -CD 129 201A 1 76,-2.3 76,-1.9 -2,-0.4 75,-0.3 -0.976 11.1-164.1-129.3 113.0 -5.6 11.4 -12.3 54 53 A A S S+ 0 0 29 146,-1.8 74,-1.8 -2,-0.4 2,-0.3 0.894 71.7 53.8 -65.0 -40.1 -4.4 7.8 -12.0 55 54 A E S > S- 0 0 109 145,-0.5 3,-0.6 72,-0.2 69,-0.2 -0.764 84.3-116.3-105.4 142.9 -7.8 6.1 -11.8 56 55 A A T 3 S+ 0 0 40 -2,-0.3 69,-0.2 1,-0.2 3,-0.1 -0.368 100.0 41.5 -65.0 152.7 -10.8 6.3 -14.1 57 56 A G T 3 S+ 0 0 10 67,-3.0 107,-2.9 1,-0.3 2,-0.5 0.742 76.4 147.8 78.8 22.1 -13.9 7.8 -12.4 58 57 A T B < -o 164 0C 1 -3,-0.6 66,-2.0 105,-0.2 2,-0.5 -0.791 36.3-149.2 -89.9 128.2 -11.9 10.5 -10.6 59 58 A I E -P 123 0D 1 105,-2.7 2,-0.6 -2,-0.5 107,-0.4 -0.911 12.9-171.8-106.9 124.4 -13.9 13.7 -10.2 60 59 A R E -P 122 0D 42 62,-2.3 62,-1.9 -2,-0.5 2,-0.3 -0.950 44.7 -57.9-113.7 107.1 -12.2 17.1 -10.1 61 60 A G E - 0 0 7 -2,-0.6 88,-0.5 60,-0.2 60,-0.2 -0.835 10.1-132.1 123.7-162.0 -14.6 19.9 -9.2 62 61 A L E + 0 0 1 -2,-0.3 85,-2.9 58,-0.3 59,-0.3 0.271 63.7 173.8 -80.5 118.1 -17.1 21.5 -9.5 63 62 A H E +PQ 120 146D 30 57,-3.4 57,-2.3 83,-0.3 2,-0.3 -0.581 17.5 160.4 -95.8 151.8 -14.7 24.5 -9.1 64 63 A F E - Q 0 145D 43 81,-0.9 81,-1.8 55,-0.2 2,-0.6 -0.904 31.1-136.7-163.4 136.8 -15.2 28.3 -9.4 65 64 A Q E - Q 0 144D 8 -2,-0.3 6,-0.3 79,-0.2 52,-0.2 -0.911 29.1-128.5-101.9 120.2 -13.0 31.0 -8.0 66 65 A K > - 0 0 107 77,-2.1 3,-1.4 -2,-0.6 77,-0.1 -0.386 42.6 -68.1 -67.5 145.3 -15.2 33.8 -6.5 67 66 A N T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.2 4,-0.0 -0.188 112.9 52.2 -61.8 163.0 -14.6 37.4 -7.6 68 67 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.979 129.1 41.0 -68.8 7.5 -12.7 39.7 -7.5 69 68 A K S < S+ 0 0 72 -3,-1.4 -2,-0.2 71,-0.1 71,-0.1 -0.247 77.8 157.7-113.1 46.1 -10.6 36.8 -8.7 70 69 A A - 0 0 5 -6,-0.1 2,-0.4 66,-0.1 -4,-0.1 -0.404 29.8-141.8 -68.9 144.6 -12.9 35.0 -11.2 71 70 A Q - 0 0 15 -6,-0.3 2,-0.4 44,-0.1 -6,-0.2 -0.935 11.7-149.8-118.2 133.9 -11.1 32.9 -13.8 72 71 A T - 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