==== 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 2IXI . 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) . 17381.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 64.9 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 . 137 37.2 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 . 2 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 . 30 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 6.2 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+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 1 7 4 0 2 6 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 . 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 -2 A S 0 0 179 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.4 44.4 27.6 39.7 2 -1 A M + 0 0 133 18,-0.0 2,-0.3 3,-0.0 18,-0.1 -0.964 360.0 154.1-133.1 148.3 41.6 26.4 37.5 3 0 A S - 0 0 88 -2,-0.3 18,-0.1 16,-0.1 15,-0.0 -0.948 49.9 -55.3-158.4 173.7 40.9 23.2 35.5 4 1 A M - 0 0 73 -2,-0.3 2,-0.4 16,-0.1 13,-0.0 -0.310 54.1-145.7 -52.3 141.8 38.3 20.9 34.1 5 2 A K E -A 18 0A 140 13,-2.3 13,-2.6 2,-0.0 2,-0.4 -0.939 16.6-175.5-118.9 141.5 35.8 19.7 36.7 6 3 A A E -A 17 0A 47 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.999 2.2-179.6-138.0 132.2 34.1 16.2 36.9 7 4 A T E -A 16 0A 83 9,-2.0 9,-2.7 -2,-0.4 2,-0.3 -0.986 23.3-134.8-137.0 120.8 31.5 15.2 39.4 8 5 A R E -A 15 0A 120 -2,-0.4 7,-0.2 7,-0.2 5,-0.1 -0.582 28.5-139.6 -72.5 135.9 29.8 11.8 39.7 9 6 A L - 0 0 26 5,-2.8 5,-0.1 2,-0.5 -1,-0.1 -0.099 36.5 -76.6 -88.5-172.5 26.0 12.2 40.2 10 7 A A S S+ 0 0 86 1,-0.2 -2,-0.1 2,-0.1 91,-0.0 0.771 133.6 53.2 -61.5 -32.2 23.5 10.2 42.4 11 8 A I S > S- 0 0 1 3,-0.1 3,-2.3 1,-0.1 -2,-0.5 -0.946 95.9-150.1 -94.0 103.6 23.7 7.3 39.9 12 9 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.602 85.8 65.5 -66.4 -18.5 27.5 7.3 40.0 13 10 A D T 3 S+ 0 0 67 -5,-0.1 2,-0.5 2,-0.0 -3,-0.1 0.646 88.0 83.6 -71.8 -17.1 28.1 6.0 36.5 14 11 A V < - 0 0 0 -3,-2.3 -5,-2.8 101,-0.1 2,-0.4 -0.814 69.1-164.0 -90.6 126.1 26.7 9.4 35.2 15 12 A I E -AB 8 114A 2 99,-1.3 99,-2.6 -2,-0.5 2,-0.6 -0.915 14.5-149.0-119.3 130.9 29.3 12.2 35.2 16 13 A L E -AB 7 113A 22 -9,-2.7 -9,-2.0 -2,-0.4 2,-0.3 -0.889 21.5-164.2 -96.9 121.5 28.8 16.0 35.0 17 14 A F E -AB 6 112A 7 95,-3.1 95,-2.2 -2,-0.6 -11,-0.2 -0.819 12.7-172.4-108.9 141.8 31.7 17.7 33.3 18 15 A E E -A 5 0A 72 -13,-2.6 -13,-2.3 -2,-0.3 93,-0.1 -0.903 18.0-142.4-134.0 111.4 32.6 21.4 33.2 19 16 A P - 0 0 13 0, 0.0 2,-0.5 0, 0.0 13,-0.1 -0.219 20.1-112.6 -64.5 154.5 35.5 22.7 31.0 20 17 A R - 0 0 76 11,-0.2 11,-0.5 -18,-0.1 2,-0.5 -0.815 34.5-150.7 -85.2 125.8 38.0 25.4 31.9 21 18 A V - 0 0 48 -2,-0.5 2,-0.6 9,-0.1 9,-0.2 -0.874 5.0-153.1-105.1 129.1 37.3 28.4 29.7 22 19 A F E -H 29 0B 107 7,-2.9 7,-2.2 -2,-0.5 2,-0.3 -0.900 16.4-165.8-102.7 117.8 40.1 30.9 28.7 23 20 A G E +H 28 0B 65 -2,-0.6 2,-0.2 5,-0.2 5,-0.2 -0.783 16.9 153.3-102.5 144.4 38.9 34.4 27.9 24 21 A D E > -H 27 0B 72 3,-2.5 3,-0.7 -2,-0.3 329,-0.0 -0.859 61.6 -75.3-149.1-171.7 40.7 37.3 26.2 25 22 A D T 3 S+ 0 0 138 -2,-0.2 3,-0.1 1,-0.2 217,-0.1 0.502 126.9 56.0 -74.3 -1.1 39.8 40.4 24.1 26 23 A R T 3 S- 0 0 38 1,-0.2 216,-1.4 215,-0.1 2,-0.3 0.739 121.8 -97.8 -88.5 -31.8 39.0 38.3 21.0 27 24 A G E < -HI 24 241B 26 -3,-0.7 -3,-2.5 214,-0.2 2,-0.3 -0.904 60.6 -46.9 150.4-120.2 36.4 36.1 22.9 28 25 A F E -HI 23 240B 31 212,-1.6 212,-2.0 -2,-0.3 2,-0.3 -0.955 31.8-157.8-145.9 166.4 37.2 32.7 24.4 29 26 A F E +HI 22 239B 58 -7,-2.2 -7,-2.9 -2,-0.3 2,-0.3 -0.989 20.0 158.3-139.0 138.6 38.8 29.3 23.8 30 27 A F E - I 0 238B 2 208,-1.8 208,-2.6 -2,-0.3 2,-0.8 -0.986 42.3-113.4-151.5 158.7 38.2 25.9 25.5 31 28 A E E - I 0 237B 57 -11,-0.5 206,-0.3 -2,-0.3 -11,-0.2 -0.849 23.7-172.1 -86.2 112.6 38.6 22.2 25.0 32 29 A S E S+ 0 0 8 204,-1.3 2,-0.3 -2,-0.8 205,-0.2 0.674 75.6 15.5 -78.5 -18.3 35.1 20.7 24.7 33 30 A Y E + I 0 236B 16 203,-1.8 203,-2.2 -3,-0.1 2,-0.3 -0.965 56.8 175.3-152.6 141.5 36.6 17.2 24.7 34 31 A N E > - I 0 235B 23 -2,-0.3 4,-2.7 201,-0.2 201,-0.2 -0.919 20.7-151.5-144.5 116.2 40.0 15.6 25.6 35 32 A Q H > S+ 0 0 38 199,-2.8 4,-2.8 -2,-0.3 5,-0.2 0.885 95.5 49.4 -62.4 -40.2 40.3 11.8 25.5 36 33 A R H > S+ 0 0 134 198,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.951 114.4 43.4 -57.7 -55.1 43.0 11.6 28.1 37 34 A A H > S+ 0 0 24 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.873 116.6 49.0 -62.2 -38.3 41.2 13.8 30.6 38 35 A F H X S+ 0 0 5 -4,-2.7 4,-2.0 2,-0.2 5,-0.2 0.922 111.6 46.5 -67.0 -48.5 37.9 12.1 29.9 39 36 A E H X>S+ 0 0 51 -4,-2.8 4,-1.7 -5,-0.2 5,-0.7 0.864 111.3 53.3 -65.3 -34.7 39.2 8.5 30.3 40 37 A E H <5S+ 0 0 164 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.900 110.1 48.3 -64.7 -40.8 41.0 9.4 33.5 41 38 A A H <5S+ 0 0 31 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.856 117.0 39.2 -70.9 -37.1 37.8 10.8 35.0 42 39 A C H <5S- 0 0 9 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.684 105.0-124.4 -90.9 -15.7 35.6 7.9 34.1 43 40 A G T <5S+ 0 0 63 -4,-1.7 -3,-0.2 -5,-0.2 -4,-0.1 0.558 77.9 62.5 86.6 11.1 38.2 5.2 34.9 44 41 A H S -C 129 0A 30 154,-1.5 3,-2.1 -2,-0.3 72,-0.3 -0.358 51.8 -67.0 -81.1 164.6 12.3 25.3 19.6 58 55 A R T 3 S+ 0 0 148 70,-2.0 68,-0.2 1,-0.3 -1,-0.2 -0.172 121.4 18.7 -52.9 134.5 11.1 26.2 23.1 59 56 A G T 3 S+ 0 0 12 66,-2.4 107,-1.7 1,-0.3 -1,-0.3 0.222 86.2 139.9 88.9 -14.2 9.1 23.4 24.7 60 57 A V B < -o 166 0C 0 -3,-2.1 65,-2.4 105,-0.2 2,-0.4 -0.402 32.8-165.8 -63.3 136.0 10.4 20.7 22.4 61 58 A L E -P 124 0D 0 105,-2.5 2,-0.5 63,-0.2 107,-0.4 -0.984 5.9-170.3-129.1 120.8 11.0 17.4 24.2 62 59 A R E -P 123 0D 21 61,-2.0 61,-2.0 -2,-0.4 2,-0.2 -0.956 35.7 -36.8-111.3 126.6 13.1 14.6 22.7 63 60 A G E - 0 0 0 -2,-0.5 87,-0.4 59,-0.2 59,-0.2 -0.836 16.1-139.7 140.4-177.9 13.2 11.1 24.4 64 61 A L E + 0 0 0 57,-0.4 84,-1.8 -2,-0.2 2,-0.3 0.266 66.0 168.9 -94.8 119.8 13.3 8.9 26.2 65 62 A H E +PQ 121 147D 51 56,-2.9 56,-1.7 82,-0.2 2,-0.3 -0.703 12.0 141.0-111.4 142.5 15.8 7.1 23.8 66 63 A Y E - Q 0 146D 9 80,-1.5 80,-2.8 -2,-0.3 2,-0.5 -0.967 38.7-127.0-161.3 161.2 18.1 4.1 23.7 67 64 A Q E - Q 0 145D 5 -2,-0.3 78,-0.2 78,-0.2 51,-0.2 -0.984 13.3-156.3-113.6 124.6 19.3 1.3 21.4 68 65 A I S S+ 0 0 36 76,-2.1 2,-0.3 -2,-0.5 3,-0.2 0.725 86.2 29.5 -79.2 -26.2 18.9 -2.3 22.9 69 66 A R S S+ 0 0 183 75,-0.2 3,-0.1 1,-0.2 72,-0.1 -0.929 126.1 27.6-122.8 155.7 21.7 -3.7 20.7 70 67 A Q S S- 0 0 78 -2,-0.3 -1,-0.2 1,-0.1 68,-0.1 0.937 92.8-161.1 54.5 47.4 24.6 -1.5 19.5 71 68 A A - 0 0 28 -3,-0.2 2,-0.5 1,-0.1 46,-0.2 -0.309 2.7-139.1 -64.7 143.2 24.0 0.5 22.7 72 69 A Q - 0 0 24 -5,-0.2 2,-0.2 47,-0.2 47,-0.2 -0.924 7.8-150.6-113.6 121.7 25.4 4.0 22.7 73 70 A G - 0 0 0 -2,-0.5 64,-1.7 44,-0.1 2,-0.4 -0.612 27.9-151.9 -71.1 149.4 27.2 5.9 25.5 74 71 A K E -EF 115 136A 15 41,-2.1 41,-3.0 -2,-0.2 2,-0.6 -0.993 22.3-165.2-136.3 127.1 26.5 9.6 25.0 75 72 A L E -EF 114 135A 7 60,-2.0 60,-1.9 -2,-0.4 2,-0.3 -0.952 30.5-172.8-108.5 111.7 28.5 12.7 25.9 76 73 A V E +EF 113 134A 0 37,-2.5 37,-1.5 -2,-0.6 2,-0.3 -0.743 15.8 157.1-115.6 151.1 26.0 15.6 25.6 77 74 A R E -EF 112 133A 28 56,-2.3 56,-2.7 -2,-0.3 2,-0.5 -0.978 33.5-115.9-160.1 167.0 26.2 19.5 25.7 78 75 A A E + F 0 132A 4 33,-0.6 54,-0.2 28,-0.3 32,-0.2 -0.960 20.3 175.6-116.3 129.9 24.4 22.7 24.6 79 76 A T E S+ 0 0 13 52,-2.0 2,-0.3 -2,-0.5 53,-0.2 0.522 78.1 30.8-107.2 -15.8 26.0 25.2 22.2 80 77 A L E S- F 0 131A 66 51,-1.4 51,-1.8 47,-0.0 -1,-0.3 -0.970 116.2 -20.4-137.9 134.1 22.9 27.5 21.9 81 78 A G S S- 0 0 16 -2,-0.3 26,-2.0 49,-0.2 2,-0.3 -0.295 83.1 -65.6 79.0-155.4 20.2 28.1 24.6 82 79 A E E +R 106 0D 64 47,-0.3 44,-2.3 24,-0.2 45,-1.1 -1.000 40.3 179.4-144.2 137.5 19.3 25.9 27.6 83 80 A V E -RS 105 125D 0 22,-2.4 22,-2.1 -2,-0.3 2,-0.6 -0.912 30.1-126.8-129.3 158.6 17.9 22.5 28.2 84 81 A F E -RS 104 124D 22 40,-2.1 40,-1.9 -2,-0.3 2,-0.4 -0.977 36.1-158.0 -99.6 117.9 17.0 20.2 31.1 85 82 A D E -RS 103 123D 0 18,-2.9 18,-2.0 -2,-0.6 2,-0.4 -0.857 7.5-164.5-108.0 135.2 18.8 16.9 30.4 86 83 A V E -RS 102 122D 0 36,-3.1 36,-2.0 -2,-0.4 2,-0.4 -0.949 10.8-167.8-127.8 136.4 17.8 13.5 31.9 87 84 A A E -RS 101 121D 0 14,-2.5 14,-2.0 -2,-0.4 2,-0.4 -0.988 9.1-165.6-122.6 131.0 19.5 10.1 32.2 88 85 A V E -RS 100 120D 0 32,-2.3 32,-2.4 -2,-0.4 2,-0.7 -0.969 20.3-129.6-121.1 127.2 17.5 7.0 33.3 89 86 A D E + S 0 119D 0 10,-2.3 9,-2.8 -2,-0.4 10,-0.2 -0.633 29.2 171.9 -78.3 113.2 19.1 3.7 34.4 90 87 A L + 0 0 0 28,-1.9 93,-1.8 -2,-0.7 2,-0.9 0.099 36.7 119.3-109.8 20.8 17.5 0.8 32.4 91 88 A R B > -t 183 0E 59 1,-0.2 3,-2.2 91,-0.2 5,-0.1 -0.793 54.5-153.9 -89.5 105.9 19.8 -2.0 33.6 92 89 A R T 3 S+ 0 0 146 91,-2.7 -1,-0.2 -2,-0.9 5,-0.1 0.800 92.3 49.5 -52.2 -35.5 17.4 -4.4 35.3 93 90 A G T 3 S+ 0 0 67 90,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.565 88.2 107.4 -80.4 -11.3 20.2 -5.8 37.5 94 91 A S S X S- 0 0 22 -3,-2.2 3,-1.7 1,-0.1 -5,-0.0 -0.427 73.9-130.0 -71.7 143.3 21.5 -2.4 38.7 95 92 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.666 111.9 47.5 -63.6 -17.3 20.8 -1.1 42.3 96 93 A T T > S+ 0 0 23 -5,-0.1 3,-2.0 3,-0.1 -7,-0.4 -0.038 80.2 153.1-111.8 29.2 19.5 2.2 40.8 97 94 A F T < S+ 0 0 57 -3,-1.7 -7,-0.2 1,-0.3 3,-0.1 -0.378 70.9 14.0 -59.9 128.7 17.3 0.5 38.2 98 95 A G T 3 S+ 0 0 19 -9,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.489 101.0 119.3 80.3 3.9 14.4 2.8 37.3 99 96 A Q < - 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