==== 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 ISOMERASE 08-JUL-06 2IXJ . COMPND 2 MOLECULE: DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.DONG,J.H.NAISMITH . 184 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10082.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 60.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 33.2 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 . 1 0.5 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 . 16 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 6.5 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 1 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 RESIDUES PER ALPHA HELIX . 3 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 4 1 1 1 2 1 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 S 0 0 155 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -27.7 1.9 25.7 47.9 2 2 A M - 0 0 106 3,-0.0 3,-0.1 1,-0.0 35,-0.0 -0.833 360.0-121.5-176.1-141.0 2.9 29.5 47.8 3 3 A A S S+ 0 0 67 1,-0.3 17,-0.5 -2,-0.2 2,-0.2 0.139 97.4 53.2 167.1 31.0 1.9 33.0 49.1 4 4 A M E S-A 19 0A 12 15,-0.2 -1,-0.3 33,-0.1 30,-0.0 -0.580 95.5-110.2-160.7 125.2 1.5 34.8 45.8 5 5 A K E -A 18 0A 128 13,-1.6 13,-2.5 -2,-0.2 2,-0.4 -0.246 31.1-169.6 -55.2 134.2 -0.9 33.2 43.2 6 6 A A E -A 17 0A 31 11,-0.2 2,-0.4 2,-0.0 11,-0.2 -1.000 4.6-175.7-125.9 129.1 0.7 31.7 40.1 7 7 A T E -A 16 0A 66 9,-2.0 9,-2.7 -2,-0.4 2,-0.3 -0.988 21.7-136.6-130.6 122.2 -1.5 30.6 37.2 8 8 A R E -A 15 0A 132 -2,-0.4 7,-0.2 7,-0.2 5,-0.1 -0.619 28.3-143.0 -72.3 132.3 -0.4 28.9 34.0 9 9 A L - 0 0 25 5,-2.5 5,-0.1 2,-0.6 -1,-0.1 -0.214 38.5 -78.2 -89.0-177.9 -2.2 30.4 31.0 10 10 A A S S+ 0 0 85 1,-0.2 91,-0.1 2,-0.1 3,-0.1 0.862 135.7 53.1 -54.1 -36.4 -3.5 28.8 27.8 11 11 A I S > S- 0 0 0 1,-0.1 3,-2.1 3,-0.1 -2,-0.6 -0.912 94.8-149.3 -92.6 108.4 0.1 28.7 26.8 12 12 A P T 3 S+ 0 0 63 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.686 88.2 58.3 -65.5 -26.3 1.5 27.0 29.9 13 13 A D T 3 S+ 0 0 65 -5,-0.1 2,-0.5 -3,-0.1 -3,-0.1 0.647 90.4 83.2 -74.2 -17.8 4.9 28.6 30.0 14 14 A V S < S- 0 0 0 -3,-2.1 -5,-2.5 101,-0.1 2,-0.4 -0.815 72.3-165.7 -87.3 125.4 3.3 32.0 30.2 15 15 A I E -AB 8 114A 3 99,-1.3 99,-2.7 -2,-0.5 2,-0.5 -0.934 18.7-149.5-124.1 135.7 2.4 32.6 33.9 16 16 A L E -AB 7 113A 16 -9,-2.7 -9,-2.0 -2,-0.4 2,-0.4 -0.904 17.2-162.5-102.2 121.4 0.2 35.1 35.6 17 17 A F E -AB 6 112A 5 95,-2.1 95,-2.0 -2,-0.5 -11,-0.2 -0.852 8.3-171.7-103.1 140.5 1.3 36.1 39.2 18 18 A E E -A 5 0A 57 -13,-2.5 -13,-1.6 -2,-0.4 93,-0.1 -0.944 17.8-142.3-128.6 111.7 -1.0 37.8 41.8 19 19 A P E -A 4 0A 12 0, 0.0 2,-0.3 0, 0.0 -15,-0.2 -0.472 18.3-116.1 -73.8 143.9 0.6 39.1 45.0 20 20 A R - 0 0 157 -17,-0.5 11,-0.5 -2,-0.1 2,-0.4 -0.594 32.4-139.4 -67.1 136.2 -1.1 38.8 48.3 21 21 A V - 0 0 60 -2,-0.3 2,-0.5 9,-0.1 9,-0.2 -0.821 10.8-159.3-105.4 140.2 -1.7 42.3 49.7 22 22 A F E +F 29 0B 119 7,-2.6 7,-2.8 -2,-0.4 2,-0.3 -0.989 66.8 6.3-120.4 119.5 -1.3 43.2 53.4 23 23 A G E S-F 28 0B 60 -2,-0.5 5,-0.3 5,-0.2 2,-0.2 -0.760 85.7 -95.4 107.4-159.8 -3.2 46.3 54.5 24 24 A D E > -F 27 0B 83 3,-1.6 3,-1.1 -2,-0.3 -2,-0.1 -0.611 51.6 -59.6-138.4-157.3 -5.7 48.3 52.4 25 25 A D T 3 S+ 0 0 133 1,-0.3 3,-0.2 -2,-0.2 -2,-0.0 0.799 128.0 53.3 -63.6 -34.5 -6.0 51.4 50.1 26 26 A R T 3 S- 0 0 198 1,-0.3 -1,-0.3 0, 0.0 2,-0.1 0.573 132.4 -3.4 -74.1 -12.9 -4.8 53.8 52.7 27 27 A G E < S+F 24 0B 48 -3,-1.1 -3,-1.6 2,-0.0 2,-0.3 -0.500 77.8 162.5 172.8 104.8 -1.7 51.8 53.4 28 28 A F E -F 23 0B 98 -5,-0.3 2,-0.4 -3,-0.2 -5,-0.2 -0.883 20.4-155.8-134.4 162.1 -0.5 48.5 52.0 29 29 A F E +F 22 0B 125 -7,-2.8 -7,-2.6 -2,-0.3 2,-0.3 -0.999 18.1 162.4-135.4 139.4 2.4 46.2 51.5 30 30 A F - 0 0 34 -2,-0.4 2,-0.7 -9,-0.2 -9,-0.1 -0.989 38.2-117.2-149.6 153.4 3.1 43.4 48.9 31 31 A E - 0 0 88 -11,-0.5 3,-0.1 -2,-0.3 -11,-0.1 -0.793 21.4-173.8 -83.3 115.5 5.9 41.4 47.5 32 32 A S S S+ 0 0 42 -2,-0.7 2,-0.3 1,-0.3 -1,-0.1 0.568 75.1 13.2 -86.1 -6.4 6.3 42.1 43.8 33 33 A Y + 0 0 58 5,-0.0 2,-0.4 4,-0.0 -1,-0.3 -0.873 55.5 179.1-168.0 131.5 9.0 39.4 43.4 34 34 A N > - 0 0 53 -2,-0.3 4,-3.0 -3,-0.1 5,-0.2 -0.955 21.6-148.5-137.7 115.0 10.3 36.5 45.5 35 35 A Q H > S+ 0 0 111 -2,-0.4 4,-3.0 1,-0.2 5,-0.3 0.869 97.1 48.7 -50.8 -46.2 13.1 34.4 43.9 36 36 A R H > S+ 0 0 214 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.958 114.2 42.6 -62.8 -54.8 11.9 31.2 45.6 37 37 A A H > S+ 0 0 31 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.945 118.0 48.0 -56.0 -48.6 8.2 31.5 44.7 38 38 A F H X S+ 0 0 7 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.910 113.8 44.4 -59.6 -50.1 9.1 32.6 41.2 39 39 A E H X S+ 0 0 52 -4,-3.0 4,-1.0 -5,-0.2 5,-0.2 0.827 113.9 50.8 -65.7 -33.3 11.7 29.8 40.6 40 40 A E H < S+ 0 0 155 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.839 112.8 49.5 -68.5 -32.6 9.4 27.2 42.1 41 41 A A H < S+ 0 0 16 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.906 116.4 36.1 -74.2 -46.7 6.6 28.5 39.8 42 42 A C H < S- 0 0 15 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.533 105.0-124.6 -91.0 -6.6 8.5 28.5 36.4 43 43 A G S < S+ 0 0 66 -4,-1.0 -3,-0.1 -5,-0.2 -4,-0.1 0.369 77.7 60.3 86.9 -1.9 10.4 25.3 37.2 44 44 A H S S- 0 0 87 -5,-0.2 -2,-0.2 -6,-0.2 2,-0.2 -0.906 89.9 -81.1-145.8 167.8 14.0 26.6 36.7 45 45 A P - 0 0 105 0, 0.0 2,-0.3 0, 0.0 -10,-0.0 -0.551 44.1-168.4 -73.2 144.5 16.5 29.2 38.0 46 46 A V - 0 0 8 -2,-0.2 2,-0.4 -11,-0.1 -7,-0.1 -0.993 11.3-162.7-133.4 142.2 16.2 32.8 36.6 47 47 A S - 0 0 88 -2,-0.3 2,-0.5 90,-0.1 0, 0.0 -0.993 8.0-153.6-124.1 128.6 18.4 35.9 36.8 48 48 A F + 0 0 39 -2,-0.4 89,-0.3 1,-0.1 3,-0.1 -0.881 16.5 173.3-100.8 124.4 17.2 39.4 36.1 49 49 A V + 0 0 67 87,-2.2 2,-0.3 -2,-0.5 88,-0.2 0.574 63.4 28.9-106.1 -13.6 20.0 41.7 34.9 50 50 A Q E -C 136 0A 49 86,-1.2 86,-2.5 88,-0.1 2,-0.4 -0.996 56.1-157.4-153.8 137.7 18.0 44.9 34.1 51 51 A D E -C 135 0A 100 -2,-0.3 2,-0.4 84,-0.2 84,-0.2 -0.976 14.9-162.5-117.9 139.2 14.7 46.7 35.1 52 52 A N E -C 134 0A 39 82,-2.4 82,-2.0 -2,-0.4 2,-0.4 -0.967 3.7-166.5-129.0 135.1 13.0 49.0 32.8 53 53 A H E +C 133 0A 118 -2,-0.4 2,-0.3 80,-0.2 80,-0.2 -0.967 13.3 174.8-123.2 132.5 10.4 51.7 33.7 54 54 A S E -C 132 0A 23 78,-2.7 78,-2.1 -2,-0.4 2,-0.4 -0.973 22.7-152.2-139.9 154.4 8.2 53.5 31.2 55 55 A R E +C 131 0A 136 -2,-0.3 2,-0.3 76,-0.2 76,-0.2 -0.995 22.1 170.9-124.9 127.8 5.3 56.0 31.0 56 56 A S E -C 130 0A 15 74,-2.1 74,-2.8 -2,-0.4 3,-0.1 -0.990 26.0-122.6-137.9 142.7 2.9 56.0 28.0 57 57 A A E > -C 129 0A 38 -2,-0.3 3,-1.8 72,-0.2 68,-0.3 -0.184 52.3 -57.2 -77.2 170.0 -0.4 57.8 27.3 58 58 A R T 3 S+ 0 0 147 70,-1.6 68,-0.2 1,-0.2 -1,-0.2 -0.186 120.6 9.1 -52.3 127.4 -3.8 56.3 26.4 59 59 A G T 3 S+ 0 0 10 66,-2.7 107,-2.5 1,-0.3 2,-0.4 0.446 84.0 142.4 84.3 -1.0 -3.9 54.1 23.4 60 60 A V B < -g 166 0C 32 -3,-1.8 65,-2.1 105,-0.2 2,-0.5 -0.616 33.9-161.6 -68.3 126.5 -0.1 53.9 22.9 61 61 A L E -H 124 0D 1 105,-1.5 2,-0.5 -2,-0.4 107,-0.4 -0.974 9.6-172.3-117.2 127.3 0.8 50.4 21.7 62 62 A R E -H 123 0D 67 61,-2.2 61,-2.0 -2,-0.5 2,-0.3 -0.979 36.0 -52.5-120.9 116.6 4.3 49.1 21.9 63 63 A G E - 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