==== 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 2IXH . COMPND 2 MOLECULE: DTDP-4-DEHYDRORHAMNOSE 3,5-EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.DONG,J.H.NAISMITH . 368 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 59.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 119 32.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 31 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 2 0 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 RESIDUES PER ALPHA HELIX . 6 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 10 1 1 2 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 . 2 0 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 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 0 176 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.8 15.7 25.0 43.4 2 2 A M + 0 0 129 1,-0.1 2,-0.1 18,-0.0 0, 0.0 -0.829 360.0 114.6 -99.9 138.3 14.2 22.3 41.2 3 3 A A - 0 0 64 -2,-0.4 17,-1.2 15,-0.1 2,-0.3 -0.315 60.8 -44.5-160.4-115.5 13.5 23.1 37.5 4 4 A M E -A 19 0A 43 15,-0.2 2,-0.1 -2,-0.1 30,-0.0 -0.916 38.7-129.4-156.3 109.7 14.6 22.2 34.0 5 5 A K E -A 18 0A 130 13,-1.8 13,-2.0 -2,-0.3 2,-0.4 -0.390 28.5-158.0 -59.3 137.9 18.1 21.6 32.5 6 6 A A E -A 17 0A 49 11,-0.2 2,-0.4 -2,-0.1 11,-0.2 -0.992 12.7-178.5-127.5 128.7 18.5 23.7 29.3 7 7 A T E -A 16 0A 67 9,-2.3 9,-3.4 -2,-0.4 2,-0.4 -0.992 21.7-138.3-129.3 125.5 21.0 23.0 26.5 8 8 A R E -A 15 0A 130 -2,-0.4 7,-0.2 7,-0.2 5,-0.1 -0.670 28.4-137.5 -75.9 132.0 21.5 25.0 23.3 9 9 A L - 0 0 24 5,-3.0 5,-0.1 2,-0.5 -1,-0.1 -0.071 37.4 -77.9 -81.1-176.1 22.0 22.7 20.3 10 10 A A S S+ 0 0 92 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.809 134.5 54.5 -54.6 -33.7 24.5 22.9 17.4 11 11 A I S > S- 0 0 2 1,-0.1 3,-3.0 3,-0.1 -2,-0.5 -0.903 96.4-146.4 -98.2 98.5 22.2 25.6 16.0 12 12 A P T 3 S+ 0 0 66 0, 0.0 -3,-0.2 0, 0.0 -1,-0.1 0.646 89.5 61.4 -48.0 -33.9 22.2 27.7 19.2 13 13 A D T 3 S+ 0 0 68 -5,-0.1 2,-0.5 -3,-0.1 -3,-0.1 0.585 88.8 83.8 -73.2 -11.5 18.6 29.0 19.0 14 14 A V < - 0 0 0 -3,-3.0 -5,-3.0 101,-0.1 2,-0.4 -0.825 69.8-164.0 -90.0 132.0 17.3 25.4 19.2 15 15 A I E -AB 8 114A 3 99,-1.2 99,-2.3 -2,-0.5 2,-0.5 -0.963 15.0-149.8-126.9 134.5 17.1 24.4 22.9 16 16 A L E -AB 7 113A 19 -9,-3.4 -9,-2.3 -2,-0.4 2,-0.3 -0.895 18.3-161.6-102.0 124.9 16.8 20.9 24.5 17 17 A F E -AB 6 112A 8 95,-2.6 95,-1.9 -2,-0.5 -11,-0.2 -0.811 9.6-170.8-108.0 148.7 15.0 20.8 27.8 18 18 A E E -A 5 0A 64 -13,-2.0 -13,-1.8 -2,-0.3 93,-0.1 -0.907 13.9-151.3-139.3 110.8 15.0 18.1 30.5 19 19 A P E -A 4 0A 15 0, 0.0 2,-0.5 0, 0.0 -15,-0.2 -0.369 16.2-117.6 -83.7 159.7 12.6 18.1 33.5 20 20 A R - 0 0 142 -17,-1.2 2,-0.6 11,-0.1 11,-0.4 -0.840 25.1-153.9 -90.2 125.9 13.0 16.8 37.0 21 21 A V - 0 0 43 -2,-0.5 2,-0.6 9,-0.1 9,-0.2 -0.903 5.1-151.0-107.3 117.3 10.4 14.1 37.9 22 22 A F E -F 29 0B 64 7,-2.3 7,-1.4 -2,-0.6 2,-0.2 -0.762 12.0-156.5 -93.6 115.4 9.6 13.7 41.6 23 23 A G E +F 28 0B 62 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.634 21.6 155.3 -91.7 148.0 8.5 10.2 42.7 24 24 A D E > -F 27 0B 76 3,-2.4 3,-1.3 -2,-0.2 0, 0.0 -0.912 59.8 -81.4-155.8 177.4 6.4 9.3 45.8 25 25 A D T 3 S+ 0 0 172 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.686 126.0 55.9 -73.6 -9.3 4.2 6.3 46.7 26 26 A R T 3 S- 0 0 221 1,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.764 122.7 -98.2 -76.0 -29.4 1.1 7.6 44.7 27 27 A G E < -F 24 0B 39 -3,-1.3 -3,-2.4 -5,-0.0 2,-0.3 -0.908 59.8 -41.4 150.0-121.1 3.3 7.8 41.5 28 28 A F E -F 23 0B 132 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.941 33.6-161.5-143.0 166.8 5.0 11.0 40.1 29 29 A F E +F 22 0B 135 -7,-1.4 -7,-2.3 -2,-0.3 2,-0.3 -0.978 15.0 166.6-144.4 136.3 4.7 14.7 39.4 30 30 A F - 0 0 39 -2,-0.3 2,-0.8 -9,-0.2 -9,-0.1 -0.996 38.5-116.7-146.0 155.3 6.6 17.1 37.1 31 31 A E - 0 0 97 -11,-0.4 -11,-0.1 -2,-0.3 3,-0.1 -0.811 24.5-174.2 -82.7 110.9 6.3 20.6 35.7 32 32 A S S S+ 0 0 46 -2,-0.8 2,-0.3 1,-0.2 -1,-0.2 0.683 74.1 15.2 -80.8 -18.7 6.0 20.1 31.9 33 33 A Y + 0 0 56 -3,-0.1 2,-0.3 4,-0.0 -1,-0.2 -0.966 57.1 178.2-153.0 139.9 6.2 23.9 31.4 34 34 A N > - 0 0 46 -2,-0.3 4,-2.8 -3,-0.1 3,-0.2 -0.912 17.9-154.6-142.2 115.9 7.2 27.0 33.5 35 35 A Q H > S+ 0 0 108 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.797 93.9 55.6 -61.6 -33.6 7.1 30.4 31.8 36 36 A R H > S+ 0 0 205 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.936 114.4 38.5 -63.2 -49.0 9.7 31.9 34.2 37 37 A A H > S+ 0 0 28 -3,-0.2 4,-2.1 2,-0.2 5,-0.2 0.890 116.7 51.9 -70.2 -40.1 12.3 29.2 33.4 38 38 A F H X S+ 0 0 8 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.950 112.0 43.6 -63.5 -51.2 11.4 29.2 29.7 39 39 A E H X S+ 0 0 53 -4,-2.4 4,-2.3 1,-0.2 5,-0.4 0.804 112.4 55.8 -66.4 -28.1 11.7 32.9 29.1 40 40 A E H < S+ 0 0 167 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.895 115.0 36.7 -68.4 -43.2 14.9 32.9 31.2 41 41 A A H < S+ 0 0 27 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.797 120.8 48.8 -76.4 -30.8 16.6 30.3 28.9 42 42 A C H < S- 0 0 14 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.823 97.2-141.7 -77.5 -35.8 14.9 31.8 25.8 43 43 A G S < S+ 0 0 66 -4,-2.3 -3,-0.2 -5,-0.2 -4,-0.1 0.555 71.8 57.5 82.0 9.3 16.0 35.3 26.6 44 44 A H S S- 0 0 98 -5,-0.4 -1,-0.1 -6,-0.2 -2,-0.1 -0.982 90.0 -83.0-161.4 162.4 12.7 36.9 25.4 45 45 A P - 0 0 104 0, 0.0 2,-0.3 0, 0.0 -10,-0.0 -0.378 39.7-176.8 -74.6 150.5 8.9 36.8 26.0 46 46 A V - 0 0 10 -11,-0.1 2,-0.4 -2,-0.1 -7,-0.1 -0.995 14.4-164.3-147.1 138.9 6.6 34.2 24.5 47 47 A S - 0 0 93 -2,-0.3 2,-0.5 90,-0.1 0, 0.0 -0.992 12.6-151.0-121.0 131.0 2.8 33.5 24.4 48 48 A F + 0 0 38 -2,-0.4 89,-0.2 1,-0.1 3,-0.1 -0.899 15.4 177.6-103.6 128.0 1.5 30.2 23.3 49 49 A V + 0 0 61 87,-2.2 2,-0.3 -2,-0.5 88,-0.1 0.448 62.4 32.7-110.1 -6.0 -2.0 30.4 21.8 50 50 A Q E -C 136 0A 49 86,-1.0 86,-2.5 88,-0.1 2,-0.4 -0.989 56.9-157.1-156.4 139.5 -2.7 26.7 20.7 51 51 A D E -C 135 0A 115 -2,-0.3 2,-0.3 84,-0.2 84,-0.2 -0.984 15.5-163.4-122.2 139.4 -1.8 23.2 21.9 52 52 A N E -C 134 0A 37 82,-2.8 82,-1.9 -2,-0.4 2,-0.4 -0.885 8.1-168.0-128.5 147.9 -1.8 20.1 19.6 53 53 A H E +C 133 0A 120 -2,-0.3 2,-0.3 80,-0.2 80,-0.2 -0.971 11.7 172.6-142.5 119.5 -1.9 16.3 20.2 54 54 A S E -C 132 0A 23 78,-2.0 78,-2.5 -2,-0.4 2,-0.4 -0.919 18.1-152.5-129.4 154.0 -1.3 13.6 17.5 55 55 A R E +C 131 0A 115 -2,-0.3 2,-0.3 76,-0.2 76,-0.2 -0.991 19.2 177.3-127.0 135.5 -0.9 9.8 17.5 56 56 A S E -C 130 0A 8 74,-2.1 74,-2.0 -2,-0.4 2,-0.1 -0.986 23.5-122.9-144.1 143.6 1.2 7.9 14.9 57 57 A A E > -C 129 0A 45 -2,-0.3 3,-2.0 72,-0.2 68,-0.3 -0.385 53.0 -65.8 -83.6 165.6 2.2 4.3 14.2 58 58 A R T 3 S+ 0 0 154 70,-1.9 68,-0.2 1,-0.3 -1,-0.2 -0.200 121.7 18.7 -52.3 132.4 5.8 3.0 13.8 59 59 A G T 3 S+ 0 0 14 66,-2.3 107,-1.5 1,-0.3 2,-0.3 0.385 86.4 138.8 87.2 -5.1 7.5 4.4 10.7 60 60 A V B < -g 166 0C 18 -3,-2.0 65,-2.2 105,-0.2 2,-0.4 -0.586 34.4-163.7 -71.6 134.4 5.2 7.4 10.2 61 61 A L E -H 124 0D 1 105,-2.2 2,-0.5 -2,-0.3 107,-0.4 -0.991 7.4-169.8-122.1 129.4 7.0 10.6 9.3 62 62 A R E -H 123 0D 103 61,-2.3 61,-2.0 -2,-0.4 2,-0.2 -0.986 38.4 -46.4-119.2 119.1 5.3 14.0 9.6 63 63 A G E - 0 0 0 -2,-0.5 87,-0.4 59,-0.2 59,-0.2 -0.869 15.0-133.7 146.5-180.0 7.2 16.9 8.0 64 64 A L E + 0 0 0 57,-0.3 84,-2.1 -2,-0.2 2,-0.3 0.285 67.2 162.0 -96.1 117.9 9.0 19.0 7.0 65 65 A H E +HI 121 147D 50 56,-2.5 56,-1.9 82,-0.2 2,-0.3 -0.684 11.9 147.2-110.3 147.6 6.5 21.7 7.9 66 66 A Y E - I 0 146D 10 80,-1.6 80,-2.6 -2,-0.3 2,-0.5 -0.960 38.2-124.7-157.8 166.4 6.4 25.5 8.4 67 67 A Q E - I 0 145D 6 -2,-0.3 78,-0.2 78,-0.2 51,-0.2 -0.985 13.2-158.6-116.2 118.8 4.1 28.5 8.0 68 68 A I S S+ 0 0 38 76,-2.0 2,-0.3 -2,-0.5 3,-0.2 0.735 85.6 29.6 -74.7 -24.3 5.6 31.2 5.9 69 69 A R S S+ 0 0 181 75,-0.3 3,-0.1 1,-0.2 75,-0.1 -0.966 125.0 27.4-130.6 157.2 3.2 33.7 7.4 70 70 A Q S S- 0 0 74 -2,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.918 94.0-158.8 49.6 48.6 1.7 33.5 10.9 71 71 A A - 0 0 28 -3,-0.2 2,-0.6 1,-0.1 46,-0.2 -0.294 2.7-136.3 -58.7 138.2 5.0 31.6 11.6 72 72 A Q - 0 0 29 47,-0.1 2,-0.3 -5,-0.1 47,-0.2 -0.884 8.7-154.7-109.4 112.0 4.8 29.3 14.6 73 73 A G - 0 0 2 -2,-0.6 64,-1.8 44,-0.1 2,-0.4 -0.645 29.3-151.9 -69.2 142.2 7.5 28.9 17.3 74 74 A K E -DE 115 136A 17 41,-2.6 41,-3.2 -2,-0.3 2,-0.5 -0.981 26.1-166.2-131.8 131.9 7.0 25.4 18.7 75 75 A L E -DE 114 135A 7 60,-2.2 60,-2.0 -2,-0.4 2,-0.3 -0.969 32.0-175.9-113.1 115.6 7.7 23.7 22.1 76 76 A V E +DE 113 134A 0 37,-2.5 37,-1.8 -2,-0.5 2,-0.3 -0.800 17.0 155.6-124.5 152.4 7.4 19.9 21.6 77 77 A R E - E 0 133A 61 56,-2.2 56,-2.4 -2,-0.3 2,-0.4 -0.971 33.3-117.6-159.7 165.8 7.6 16.6 23.5 78 78 A A E + E 0 132A 3 33,-0.5 54,-0.2 28,-0.3 32,-0.2 -0.968 19.1 177.5-115.0 134.2 6.4 12.9 23.5 79 79 A T E S+ 0 0 56 52,-1.8 2,-0.3 -2,-0.4 53,-0.1 0.450 78.4 34.4-109.7 -8.0 4.1 11.4 26.2 80 80 A L E S- E 0 131A 65 51,-1.1 51,-2.4 0, 0.0 -1,-0.3 -0.948 117.1 -20.8-143.3 125.8 3.8 7.9 24.6 81 81 A G S S- 0 0 14 -2,-0.3 26,-2.6 49,-0.2 27,-0.3 -0.337 82.1 -66.1 84.6-157.2 6.6 6.2 22.8 82 82 A E E +J 106 0D 57 47,-0.3 44,-2.4 24,-0.2 45,-0.9 -0.999 40.1 178.9-143.5 138.3 9.8 7.6 21.1 83 83 A V E -JK 105 125D 0 22,-2.5 22,-2.0 -2,-0.3 2,-0.5 -0.903 30.9-125.5-131.1 158.9 10.4 9.9 18.0 84 84 A F E -JK 104 124D 25 40,-1.9 40,-1.7 -2,-0.3 2,-0.5 -0.968 35.6-156.7-100.6 123.4 13.5 11.4 16.3 85 85 A D E -JK 103 123D 0 18,-2.7 18,-1.8 -2,-0.5 2,-0.4 -0.921 9.2-166.6-116.0 124.7 12.7 15.1 16.2 86 86 A V E -JK 102 122D 0 36,-3.3 36,-2.0 -2,-0.5 2,-0.4 -0.889 13.2-168.9-121.1 138.7 14.3 17.4 13.6 87 87 A A E -JK 101 121D 0 14,-2.4 14,-2.2 -2,-0.4 2,-0.4 -0.991 9.7-162.2-120.9 131.0 14.6 21.2 13.2 88 88 A V E -JK 100 120D 1 32,-2.8 32,-2.1 -2,-0.4 2,-0.8 -0.958 19.9-128.5-113.7 131.5 15.9 22.7 9.9 89 89 A D E + K 0 119D 0 10,-3.0 9,-2.6 -2,-0.4 10,-0.2 -0.690 30.9 171.0 -82.1 109.8 17.2 26.3 9.7 90 90 A L + 0 0 0 28,-1.9 93,-2.1 -2,-0.8 2,-0.9 0.185 36.4 119.5-102.9 14.8 15.3 28.1 6.8 91 91 A R B > -l 183 0E 53 1,-0.2 3,-2.1 91,-0.2 5,-0.1 -0.728 52.6-155.9 -83.6 106.3 16.6 31.7 7.6 92 92 A R T 3 S+ 0 0 150 91,-2.2 5,-0.2 -2,-0.9 -1,-0.2 0.841 92.1 48.9 -48.2 -41.5 18.5 32.7 4.5 93 93 A G T 3 S+ 0 0 66 90,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.432 88.2 102.0 -84.8 -2.1 20.5 35.2 6.4 94 94 A S S X S- 0 0 22 -3,-2.1 3,-1.5 1,-0.1 -5,-0.0 -0.633 75.0-132.3 -78.4 142.4 21.5 32.8 9.3 95 95 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.603 109.3 53.9 -69.1 -10.0 25.1 31.4 9.1 96 96 A T T > S+ 0 0 23 -5,-0.1 3,-2.0 3,-0.1 -7,-0.3 0.024 77.6 148.7-108.7 25.5 23.5 28.0 9.8 97 97 A F T < S+ 0 0 64 -3,-1.5 -7,-0.2 1,-0.3 3,-0.1 -0.396 70.2 19.3 -60.5 127.2 21.1 28.2 6.8 98 98 A G T 3 S+ 0 0 20 -9,-2.6 -1,-0.3 1,-0.4 2,-0.2 0.414 102.1 115.8 88.3 -0.0 20.4 24.8 5.4 99 99 A Q < - 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