==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 10-DEC-03 1RTV . COMPND 2 MOLECULE: DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.J.DONG,J.H.NAISMITH . 184 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10002.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 60.9 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 . 1 0.5 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 3 3 0 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 -2 A S 0 0 135 0, 0.0 39,-0.1 0, 0.0 40,-0.0 0.000 360.0 360.0 360.0 -5.6 2.6 26.1 47.4 2 -1 A M - 0 0 99 1,-0.0 3,-0.1 39,-0.0 35,-0.0 -0.049 360.0-139.1-139.5-122.0 2.7 30.0 47.7 3 0 A A S S+ 0 0 56 1,-0.8 17,-0.4 15,-0.1 2,-0.2 0.385 101.2 49.6 132.8 31.2 1.8 33.5 49.1 4 1 A M S S- 0 0 14 15,-0.2 -1,-0.8 33,-0.1 2,-0.2 -0.472 98.8-113.0-172.4 136.6 1.4 35.1 45.7 5 2 A K E -A 18 0A 109 13,-2.8 13,-2.7 -2,-0.2 2,-0.4 -0.576 28.4-164.4 -74.9 145.4 -0.9 33.2 43.2 6 3 A A E -A 17 0A 31 11,-0.2 2,-0.4 -2,-0.2 11,-0.2 -0.999 8.1-179.1-130.4 130.8 0.7 31.7 40.1 7 4 A T E -A 16 0A 67 9,-1.7 9,-2.6 -2,-0.4 2,-0.2 -0.961 21.9-138.9-138.7 118.8 -1.5 30.5 37.2 8 5 A R E -A 15 0A 136 -2,-0.4 7,-0.2 7,-0.2 5,-0.1 -0.509 28.2-142.8 -70.6 139.7 -0.3 28.9 34.0 9 6 A L - 0 0 29 5,-2.2 5,-0.1 2,-0.6 -1,-0.1 -0.277 39.2 -73.7 -97.8-175.5 -2.2 30.3 31.0 10 7 A A S S+ 0 0 84 1,-0.2 3,-0.1 -2,-0.1 91,-0.1 0.872 135.8 51.8 -48.1 -38.4 -3.5 28.8 27.7 11 8 A I S > S- 0 0 0 1,-0.1 3,-2.3 3,-0.1 -2,-0.6 -0.885 93.3-149.9 -97.4 102.2 0.1 28.7 26.8 12 9 A P T 3 S+ 0 0 65 0, 0.0 -3,-0.2 0, 0.0 -1,-0.1 0.692 88.0 58.0 -49.3 -39.5 1.6 27.0 29.9 13 10 A D T 3 S+ 0 0 67 -5,-0.1 2,-0.6 -3,-0.1 -3,-0.1 0.680 92.0 83.4 -67.8 -17.7 5.0 28.5 30.0 14 11 A V S < S- 0 0 0 -3,-2.3 -5,-2.2 -5,-0.1 2,-0.4 -0.787 70.7-165.5 -90.1 122.8 3.4 31.9 30.2 15 12 A I E -AB 8 114A 3 99,-1.2 99,-2.5 -2,-0.6 2,-0.5 -0.890 19.4-150.3-120.3 141.8 2.4 32.6 33.8 16 13 A L E -AB 7 113A 15 -9,-2.6 -9,-1.7 -2,-0.4 2,-0.4 -0.919 18.3-161.0-107.2 120.7 0.2 35.1 35.6 17 14 A F E -AB 6 112A 5 95,-2.4 95,-2.0 -2,-0.5 -11,-0.2 -0.821 7.4-168.5-102.1 141.4 1.2 36.1 39.1 18 15 A E E -A 5 0A 52 -13,-2.7 -13,-2.8 -2,-0.4 93,-0.1 -0.896 16.4-142.0-129.1 102.7 -1.0 37.8 41.8 19 16 A P - 0 0 12 0, 0.0 2,-0.3 0, 0.0 -15,-0.2 -0.325 16.1-122.1 -60.6 141.0 0.6 39.2 44.9 20 17 A R - 0 0 155 -17,-0.4 11,-0.6 11,-0.1 2,-0.3 -0.675 30.8-141.6 -78.6 139.2 -1.1 38.9 48.2 21 18 A V E -F 30 0B 59 -2,-0.3 2,-0.4 9,-0.1 9,-0.2 -0.753 12.2-160.2-109.0 150.0 -1.7 42.2 49.8 22 19 A F E +F 29 0B 125 7,-2.0 7,-2.8 -2,-0.3 2,-0.3 -0.995 65.7 8.2-128.8 126.6 -1.4 43.3 53.4 23 20 A G E S-F 28 0B 65 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.728 86.5 -96.9 102.5-157.7 -3.2 46.4 54.6 24 21 A D E > -F 27 0B 68 3,-3.6 3,-0.7 -2,-0.3 -2,-0.1 -0.652 49.3 -56.9-145.0-157.8 -5.6 48.3 52.4 25 22 A D T 3 S+ 0 0 142 1,-0.2 3,-0.2 -2,-0.2 -2,-0.0 0.773 128.8 49.2 -65.8 -26.2 -6.0 51.3 50.0 26 23 A R T 3 S+ 0 0 201 1,-0.4 2,-0.3 0, 0.0 -1,-0.2 0.602 134.3 1.5 -88.2 -20.6 -4.7 53.9 52.6 27 24 A G E < S+F 24 0B 44 -3,-0.7 -3,-3.6 2,-0.0 -1,-0.4 -0.828 78.2 159.9-156.0 138.8 -1.7 51.8 53.4 28 25 A F E -F 23 0B 100 -2,-0.3 2,-0.4 -5,-0.3 -5,-0.2 -0.978 20.1-157.8-153.6 155.7 -0.6 48.5 51.9 29 26 A F E +F 22 0B 139 -7,-2.8 -7,-2.0 -2,-0.3 2,-0.3 -0.999 17.7 167.5-132.3 139.0 2.4 46.3 51.5 30 27 A F E -F 21 0B 33 -2,-0.4 2,-0.7 -9,-0.2 -9,-0.1 -0.996 36.4-118.5-149.9 150.2 3.1 43.6 48.9 31 28 A E - 0 0 85 -11,-0.6 -11,-0.1 -2,-0.3 3,-0.1 -0.785 22.0-175.4 -84.6 111.3 5.9 41.4 47.5 32 29 A S S S+ 0 0 43 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.651 72.9 14.1 -80.9 -14.9 6.3 42.2 43.8 33 30 A Y - 0 0 58 5,-0.0 2,-0.4 4,-0.0 -1,-0.2 -0.923 53.7-179.9-163.7 134.7 9.0 39.4 43.4 34 31 A N > - 0 0 54 -2,-0.3 4,-3.1 -3,-0.1 5,-0.3 -0.900 19.2-151.9-139.9 104.6 10.3 36.4 45.4 35 32 A Q H > S+ 0 0 116 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.832 96.6 50.6 -42.6 -43.5 13.1 34.4 43.8 36 33 A R H > S+ 0 0 212 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.961 114.3 39.2 -65.9 -54.4 12.0 31.3 45.6 37 34 A A H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.903 117.8 51.5 -62.0 -41.3 8.3 31.4 44.7 38 35 A F H X S+ 0 0 6 -4,-3.1 4,-2.6 2,-0.2 6,-0.2 0.934 111.8 44.7 -65.2 -46.4 9.1 32.5 41.2 39 36 A E H X S+ 0 0 52 -4,-2.8 4,-1.5 -5,-0.3 5,-0.5 0.894 114.6 49.0 -64.1 -38.3 11.7 29.7 40.5 40 37 A E H < S+ 0 0 136 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.897 114.0 48.8 -67.6 -36.8 9.4 27.1 42.0 41 38 A A H < S+ 0 0 18 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.920 118.1 35.6 -68.7 -47.3 6.6 28.4 39.9 42 39 A C H < S- 0 0 16 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.571 105.8-125.8 -89.9 -6.9 8.4 28.5 36.6 43 40 A G S < S+ 0 0 63 -4,-1.5 -3,-0.2 -5,-0.2 -4,-0.1 0.483 75.8 56.7 81.4 4.3 10.4 25.4 37.3 44 41 A H S S- 0 0 88 -5,-0.5 -2,-0.2 -6,-0.2 -1,-0.1 -0.981 88.4 -78.8-157.4 161.3 14.0 26.7 36.8 45 42 A P - 0 0 99 0, 0.0 2,-0.3 0, 0.0 -10,-0.0 -0.340 41.8-170.8 -59.0 146.4 16.5 29.3 37.9 46 43 A V - 0 0 11 -11,-0.1 2,-0.4 -2,-0.1 -7,-0.1 -0.998 12.4-160.8-142.1 141.1 16.3 32.8 36.6 47 44 A S - 0 0 92 -2,-0.3 2,-0.5 90,-0.1 0, 0.0 -0.990 8.9-154.5-120.4 131.4 18.6 35.8 36.8 48 45 A F + 0 0 39 -2,-0.4 89,-0.3 1,-0.1 3,-0.1 -0.923 17.5 171.5-105.3 124.6 17.2 39.3 36.2 49 46 A V + 0 0 66 87,-2.1 2,-0.3 -2,-0.5 88,-0.2 0.553 61.2 32.1-108.9 -13.0 19.9 41.8 35.0 50 47 A Q E -C 136 0A 53 86,-1.2 86,-2.1 88,-0.1 2,-0.4 -0.997 56.6-157.6-147.3 139.7 18.0 44.9 34.0 51 48 A D E -C 135 0A 97 -2,-0.3 2,-0.4 84,-0.2 84,-0.2 -0.983 14.3-162.7-118.1 136.3 14.7 46.7 35.1 52 49 A N E -C 134 0A 40 82,-2.4 82,-2.2 -2,-0.4 2,-0.4 -0.942 5.3-170.2-124.1 139.4 12.9 49.0 32.8 53 50 A H E +C 133 0A 118 -2,-0.4 2,-0.3 80,-0.2 80,-0.2 -0.988 12.1 172.4-130.1 132.9 10.3 51.6 33.7 54 51 A S E -C 132 0A 24 78,-2.7 78,-2.1 -2,-0.4 2,-0.4 -0.965 22.7-149.4-143.4 156.3 8.2 53.5 31.2 55 52 A R E +C 131 0A 138 -2,-0.3 2,-0.3 76,-0.2 76,-0.2 -0.997 23.5 166.7-127.2 131.4 5.3 56.0 31.0 56 53 A S E -C 130 0A 20 74,-2.1 74,-2.7 -2,-0.4 3,-0.1 -0.996 26.8-121.6-145.9 147.3 2.9 56.0 28.0 57 54 A A E > -C 129 0A 37 -2,-0.3 3,-2.0 72,-0.2 68,-0.3 -0.200 51.5 -55.6 -85.1 171.3 -0.6 57.6 27.4 58 55 A R T 3 S+ 0 0 145 70,-1.8 -1,-0.2 1,-0.3 68,-0.2 -0.101 121.4 10.5 -45.0 134.4 -3.9 56.2 26.4 59 56 A G T 3 S+ 0 0 10 66,-2.8 107,-1.8 1,-0.3 2,-0.3 0.381 83.9 141.2 77.7 -7.0 -3.9 54.0 23.3 60 57 A V B < -g 166 0C 33 -3,-2.0 65,-2.3 105,-0.2 2,-0.5 -0.558 32.4-167.3 -67.5 131.0 -0.1 53.9 22.9 61 58 A L E -H 124 0D 1 105,-1.3 2,-0.6 -2,-0.3 107,-0.4 -0.956 9.3-173.6-125.6 108.5 0.7 50.4 21.8 62 59 A R E -H 123 0D 70 61,-1.7 61,-2.0 -2,-0.5 2,-0.4 -0.898 37.3-156.1 -98.9 124.3 4.3 49.4 22.0 63 60 A G E -H 122 0D 1 -2,-0.6 59,-0.2 59,-0.2 87,-0.2 -0.916 17.9 -18.8-172.2 161.1 4.5 46.1 20.4 64 61 A L E + 0 0 0 57,-1.2 84,-2.1 -2,-0.4 2,-0.3 0.922 68.6 165.2 61.7 63.0 5.3 42.7 19.2 65 62 A H E +HI 121 147D 24 56,-2.8 56,-2.6 82,-0.2 2,-0.3 -0.792 8.5 146.0-105.5 144.3 8.9 42.9 20.3 66 63 A Y E - I 0 146D 5 80,-1.3 80,-3.6 -2,-0.3 2,-0.4 -0.935 34.0-136.6-169.7 154.7 11.5 40.2 20.8 67 64 A Q E - I 0 145D 2 -2,-0.3 5,-0.4 78,-0.2 51,-0.3 -0.963 8.2-171.6-118.3 129.4 15.2 39.6 20.5 68 65 A I S S+ 0 0 37 76,-0.8 3,-0.5 -2,-0.4 2,-0.3 0.845 83.1 46.9 -88.5 -43.2 16.5 36.4 18.9 69 66 A R S S+ 0 0 184 75,-0.3 3,-0.1 1,-0.3 75,-0.0 -0.751 122.1 22.8 -91.2 151.5 20.1 37.1 19.8 70 67 A Q S S- 0 0 90 -2,-0.3 -1,-0.3 1,-0.1 71,-0.2 0.960 98.8-156.6 53.5 49.4 20.5 38.1 23.5 71 68 A A - 0 0 34 -3,-0.5 2,-0.4 -5,-0.1 -3,-0.1 -0.236 9.2-154.5 -58.2 148.1 17.1 36.4 24.1 72 69 A Q - 0 0 12 -5,-0.4 47,-0.3 47,-0.2 2,-0.3 -0.972 21.9-151.0-138.3 137.5 15.1 37.5 27.1 73 70 A G - 0 0 1 -2,-0.4 64,-1.3 44,-0.1 2,-0.4 -0.684 29.4-154.8 -88.3 150.7 12.5 36.4 29.5 74 71 A K E -DE 115 136A 11 41,-2.4 41,-3.4 -2,-0.3 2,-0.5 -0.995 18.3-164.8-135.6 134.1 10.4 39.2 30.8 75 72 A L E -DE 114 135A 5 60,-2.2 60,-2.0 -2,-0.4 2,-0.3 -0.972 27.5-172.8-115.1 113.9 8.4 39.7 34.0 76 73 A V E +DE 113 134A 1 37,-2.5 37,-1.6 -2,-0.5 2,-0.3 -0.825 15.3 159.6-120.5 147.3 6.0 42.7 33.6 77 74 A R E - 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