==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 08-JUL-06 2IXK . 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) . 16801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 65.5 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 . 139 37.8 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 . 26 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 6.5 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 7 5 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 1 A S 0 0 178 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.7 43.9 27.3 39.2 2 2 A M + 0 0 131 18,-0.0 2,-0.3 3,-0.0 18,-0.1 -0.980 360.0 153.5-137.3 149.2 41.1 26.1 37.1 3 3 A S - 0 0 94 -2,-0.3 18,-0.1 15,-0.1 15,-0.0 -0.924 52.4 -51.2-159.0 173.7 40.5 23.0 34.9 4 4 A M - 0 0 68 -2,-0.3 2,-0.4 16,-0.1 13,-0.0 -0.279 55.1-144.9 -50.6 140.4 37.8 20.7 33.6 5 5 A K E -A 18 0A 139 13,-2.7 13,-2.4 2,-0.0 2,-0.4 -0.903 15.3-172.2-113.3 144.0 35.4 19.5 36.3 6 6 A A E -A 17 0A 46 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.997 3.8-179.8-134.7 133.3 33.8 16.1 36.4 7 7 A T E -A 16 0A 81 9,-2.3 9,-2.9 -2,-0.4 2,-0.3 -0.985 23.6-134.6-136.0 121.0 31.1 15.1 38.9 8 8 A R E -A 15 0A 118 -2,-0.4 7,-0.2 7,-0.2 5,-0.1 -0.573 28.4-137.2 -72.5 136.9 29.4 11.7 39.1 9 9 A L - 0 0 25 5,-2.9 5,-0.1 2,-0.5 -1,-0.1 -0.098 36.6 -79.3 -86.0-173.4 25.6 12.0 39.5 10 10 A A S S+ 0 0 88 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.752 133.5 54.8 -64.5 -27.6 23.3 10.1 41.9 11 11 A I S > S- 0 0 1 3,-0.1 3,-2.1 1,-0.1 -2,-0.5 -0.963 96.3-149.9 -96.6 103.2 23.4 7.2 39.4 12 12 A P T 3 S+ 0 0 68 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.639 85.4 64.6 -66.9 -17.8 27.2 7.2 39.5 13 13 A D T 3 S+ 0 0 67 -5,-0.1 2,-0.5 2,-0.0 -3,-0.1 0.684 88.4 83.0 -74.6 -16.0 27.9 5.9 36.0 14 14 A V S < S- 0 0 0 -3,-2.1 -5,-2.9 101,-0.1 2,-0.4 -0.799 70.4-163.4 -88.4 126.2 26.4 9.2 34.7 15 15 A I E -AB 8 114A 2 99,-1.4 99,-2.8 -2,-0.5 2,-0.6 -0.919 15.2-148.4-119.4 133.9 29.0 12.0 34.8 16 16 A L E -AB 7 113A 19 -9,-2.9 -9,-2.3 -2,-0.4 2,-0.3 -0.902 22.0-166.4 -98.0 119.3 28.5 15.8 34.5 17 17 A F E -AB 6 112A 6 95,-2.7 95,-2.6 -2,-0.6 -11,-0.2 -0.839 12.2-171.5-107.9 144.7 31.4 17.5 32.8 18 18 A E E -A 5 0A 71 -13,-2.4 -13,-2.7 -2,-0.3 93,-0.2 -0.924 19.1-139.8-137.7 110.8 32.2 21.2 32.8 19 19 A P - 0 0 12 0, 0.0 2,-0.5 0, 0.0 13,-0.1 -0.229 19.7-112.3 -64.6 153.7 35.1 22.5 30.5 20 20 A R - 0 0 78 11,-0.2 11,-0.5 -18,-0.1 2,-0.5 -0.800 35.2-150.9 -84.0 125.8 37.6 25.1 31.4 21 21 A V E -H 30 0B 46 -2,-0.5 2,-0.6 9,-0.1 9,-0.2 -0.877 5.8-153.9-106.9 131.6 37.0 28.2 29.2 22 22 A F E -H 29 0B 106 7,-2.8 7,-2.1 -2,-0.5 2,-0.3 -0.922 15.8-165.0-105.2 112.7 39.7 30.6 28.2 23 23 A G E +H 28 0B 64 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.705 18.0 152.4 -95.6 148.4 38.4 34.1 27.5 24 24 A D E > -H 27 0B 71 3,-2.4 3,-0.6 -2,-0.3 329,-0.0 -0.881 61.7 -75.3-155.3-170.9 40.3 36.9 25.7 25 25 A D T 3 S+ 0 0 132 -2,-0.3 217,-0.1 1,-0.2 3,-0.1 0.528 126.0 56.8 -78.7 -1.2 39.5 39.9 23.6 26 26 A R T 3 S- 0 0 33 1,-0.2 216,-1.7 215,-0.1 2,-0.3 0.778 122.1 -96.5 -85.9 -33.8 38.6 37.7 20.5 27 27 A G E < -HI 24 241B 25 -3,-0.6 -3,-2.4 214,-0.2 2,-0.3 -0.872 62.3 -49.6 155.3-113.3 36.0 35.7 22.4 28 28 A F E -HI 23 240B 29 212,-1.7 212,-2.2 -2,-0.3 2,-0.3 -0.969 31.3-153.5-150.1 165.7 36.8 32.4 23.9 29 29 A F E +HI 22 239B 52 -7,-2.1 -7,-2.8 -2,-0.3 2,-0.3 -0.993 20.5 163.6-134.9 138.0 38.4 29.0 23.4 30 30 A F E -HI 21 238B 2 208,-2.2 208,-2.7 -2,-0.3 2,-0.8 -0.986 40.0-118.5-147.4 154.5 37.6 25.7 25.2 31 31 A E E - I 0 237B 55 -11,-0.5 206,-0.3 -2,-0.3 -11,-0.2 -0.846 23.4-170.1 -84.5 112.1 38.3 22.0 24.6 32 32 A S E S+ 0 0 6 204,-1.3 2,-0.3 -2,-0.8 205,-0.2 0.716 75.0 11.3 -76.9 -19.7 34.8 20.5 24.3 33 33 A Y E + I 0 236B 11 203,-1.9 203,-2.5 -3,-0.1 2,-0.3 -0.960 57.4 178.4-155.7 140.2 36.3 17.0 24.4 34 34 A N E > - I 0 235B 19 -2,-0.3 4,-2.8 201,-0.2 5,-0.2 -0.934 20.1-150.7-142.2 116.8 39.7 15.6 25.2 35 35 A Q H > S+ 0 0 33 199,-3.0 4,-2.8 -2,-0.3 5,-0.3 0.873 96.6 50.1 -58.9 -39.5 40.0 11.8 25.1 36 36 A R H > S+ 0 0 125 198,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.924 114.7 43.3 -62.4 -48.2 42.8 11.7 27.8 37 37 A A H > S+ 0 0 26 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.898 116.3 48.3 -67.8 -40.2 40.9 13.8 30.2 38 38 A F H X S+ 0 0 6 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.933 111.1 48.3 -64.4 -49.9 37.6 12.0 29.6 39 39 A E H X S+ 0 0 55 -4,-2.8 4,-2.7 -5,-0.2 5,-0.3 0.885 110.8 52.8 -64.1 -37.1 39.1 8.5 30.0 40 40 A E H < S+ 0 0 165 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.932 113.0 43.3 -59.7 -47.0 40.8 9.6 33.2 41 41 A A H < S+ 0 0 31 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.887 119.9 41.4 -67.7 -39.0 37.5 10.9 34.7 42 42 A C H < S- 0 0 12 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.846 99.8-134.3 -80.6 -36.9 35.4 7.9 33.5 43 43 A G S < S+ 0 0 67 -4,-2.7 -3,-0.1 -5,-0.3 -4,-0.1 0.425 74.4 72.2 97.9 1.2 38.0 5.3 34.4 44 44 A H S S- 0 0 83 -5,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 -0.984 86.6 -94.8-143.4 153.2 37.7 3.3 31.1 45 45 A P - 0 0 104 0, 0.0 2,-0.3 0, 0.0 -9,-0.0 -0.358 40.4-166.5 -64.6 151.8 38.7 3.8 27.5 46 46 A V - 0 0 8 -11,-0.1 2,-0.4 2,-0.0 -7,-0.1 -0.955 14.3-166.0-137.7 149.3 36.1 5.2 25.1 47 47 A S - 0 0 87 -2,-0.3 2,-0.4 90,-0.0 187,-0.1 -0.961 9.3-158.5-135.9 124.9 35.8 5.5 21.3 48 48 A F + 0 0 24 -2,-0.4 89,-0.3 185,-0.2 185,-0.2 -0.857 13.8 174.4-102.8 138.8 33.2 7.8 19.7 49 49 A V + 0 0 16 87,-2.5 171,-2.9 -2,-0.4 2,-0.3 0.487 61.5 34.2-120.9 -11.4 32.2 7.0 16.1 50 50 A Q E -CD 136 219A 2 86,-1.2 86,-2.7 169,-0.2 2,-0.4 -0.995 55.2-159.1-148.4 142.3 29.4 9.5 15.3 51 51 A D E -CD 135 218A 14 167,-2.6 167,-1.9 -2,-0.3 166,-1.6 -0.997 15.3-162.9-123.5 134.2 28.5 13.1 16.2 52 52 A N E -CD 134 216A 4 82,-3.1 82,-2.2 -2,-0.4 2,-0.4 -0.851 6.2-165.2-118.8 150.3 24.9 14.3 15.9 53 53 A H E +CD 133 215A 4 162,-2.7 162,-2.4 -2,-0.3 2,-0.3 -0.990 10.7 176.6-139.3 122.7 23.5 17.9 15.8 54 54 A S E -CD 132 214A 2 78,-2.5 78,-2.2 -2,-0.4 2,-0.4 -0.932 17.1-154.1-127.2 153.5 19.8 18.9 16.3 55 55 A R E +CD 131 213A 66 158,-2.2 158,-2.0 -2,-0.3 2,-0.3 -0.996 21.7 177.2-125.3 133.8 18.0 22.2 16.4 56 56 A S E -CD 130 212A 0 74,-2.4 74,-2.4 -2,-0.4 156,-0.2 -0.990 24.0-123.5-142.2 142.2 14.7 22.3 18.3 57 57 A A E > -C 129 0A 32 154,-1.4 3,-2.3 -2,-0.3 68,-0.3 -0.410 52.2 -68.9 -79.9 162.2 12.1 25.0 19.2 58 58 A R T 3 S+ 0 0 147 70,-2.3 68,-0.2 1,-0.3 -1,-0.2 -0.203 122.3 19.9 -47.1 130.2 11.0 25.8 22.8 59 59 A G T 3 S+ 0 0 12 66,-2.3 107,-2.1 1,-0.3 2,-0.3 0.352 85.8 139.3 88.1 -6.4 9.0 23.0 24.3 60 60 A V B < -o 166 0C 1 -3,-2.3 65,-2.4 105,-0.2 2,-0.4 -0.551 34.1-164.5 -65.1 133.6 10.2 20.4 21.9 61 61 A L E -P 124 0D 0 105,-2.4 2,-0.5 -2,-0.3 107,-0.4 -0.994 5.7-169.9-122.1 124.9 10.9 17.1 23.8 62 62 A R E -P 123 0D 18 61,-2.4 61,-2.2 -2,-0.4 2,-0.2 -0.979 36.8 -37.2-112.7 130.0 13.0 14.4 22.2 63 63 A G E - 0 0 0 -2,-0.5 87,-0.4 59,-0.2 59,-0.2 -0.798 14.1-141.6 135.3-176.8 13.2 10.9 23.9 64 64 A L E + 0 0 0 57,-0.4 84,-2.2 -2,-0.2 2,-0.3 0.315 65.4 167.6 -94.6 121.2 13.2 8.7 25.7 65 65 A H E +PQ 121 147D 40 56,-2.9 56,-1.9 82,-0.2 2,-0.3 -0.746 12.0 143.8-109.9 144.4 15.7 6.9 23.4 66 66 A Y E - Q 0 146D 7 80,-1.7 80,-2.7 -2,-0.3 2,-0.5 -0.962 38.2-126.6-160.0 164.3 18.0 3.9 23.4 67 67 A Q E - Q 0 145D 4 -2,-0.3 78,-0.2 78,-0.2 51,-0.2 -0.989 12.4-156.7-115.7 123.8 19.2 1.1 21.1 68 68 A I S S+ 0 0 39 76,-2.3 2,-0.3 -2,-0.5 3,-0.2 0.644 86.6 29.7 -81.1 -18.8 18.8 -2.4 22.5 69 69 A R S S+ 0 0 177 75,-0.2 3,-0.1 72,-0.2 72,-0.1 -0.926 126.6 26.9-126.0 158.1 21.5 -3.8 20.4 70 70 A Q S S- 0 0 72 -2,-0.3 -1,-0.2 1,-0.1 68,-0.1 0.925 92.5-160.4 53.2 46.0 24.5 -1.6 19.3 71 71 A A - 0 0 28 -3,-0.2 2,-0.5 1,-0.1 46,-0.2 -0.291 3.2-137.3 -61.0 141.5 23.7 0.4 22.4 72 72 A Q - 0 0 18 47,-0.2 2,-0.3 -5,-0.2 47,-0.2 -0.902 8.6-150.5-109.8 124.7 25.2 3.9 22.4 73 73 A G - 0 0 1 -2,-0.5 64,-2.0 44,-0.1 2,-0.4 -0.716 28.2-152.3 -77.9 144.9 27.0 5.7 25.1 74 74 A K E -EF 115 136A 10 41,-2.8 41,-3.2 -2,-0.3 2,-0.6 -0.986 22.3-165.4-131.5 130.2 26.3 9.4 24.6 75 75 A L E -EF 114 135A 6 60,-2.4 60,-2.1 -2,-0.4 2,-0.3 -0.962 30.8-175.1-113.7 112.2 28.3 12.5 25.5 76 76 A V E +EF 113 134A 0 37,-2.5 37,-1.9 -2,-0.6 2,-0.3 -0.795 16.3 158.3-120.3 148.9 25.9 15.4 25.1 77 77 A R E -EF 112 133A 24 56,-2.5 56,-3.0 -2,-0.3 2,-0.5 -0.974 34.6-115.5-157.3 165.5 25.9 19.2 25.3 78 78 A A E + F 0 132A 3 33,-0.6 54,-0.2 28,-0.3 32,-0.2 -0.940 20.3 178.2-108.7 129.0 24.0 22.3 24.2 79 79 A T E S+ 0 0 12 52,-2.1 2,-0.3 -2,-0.5 53,-0.2 0.500 77.9 29.0-104.2 -10.3 25.7 24.8 21.9 80 80 A L E S- F 0 131A 64 51,-1.3 51,-2.0 47,-0.0 -1,-0.3 -0.955 117.3 -18.0-142.5 134.4 22.7 27.2 21.6 81 81 A G S S- 0 0 13 -2,-0.3 26,-2.2 49,-0.2 2,-0.3 -0.299 84.1 -66.3 78.9-155.4 20.1 27.8 24.3 82 82 A E E +R 106 0D 62 47,-0.2 44,-2.5 24,-0.2 45,-1.2 -1.000 40.5 179.9-145.7 137.4 19.2 25.6 27.2 83 83 A V E -RS 105 125D 0 22,-2.5 22,-2.0 -2,-0.3 2,-0.6 -0.887 29.5-127.3-128.6 161.1 17.7 22.1 27.7 84 84 A F E -RS 104 124D 23 40,-2.3 40,-1.9 -2,-0.3 2,-0.4 -0.980 35.2-158.0-106.6 118.4 16.8 19.9 30.6 85 85 A D E -RS 103 123D 0 18,-2.9 18,-2.1 -2,-0.6 2,-0.4 -0.856 7.2-164.0-109.6 132.8 18.6 16.6 29.9 86 86 A V E -RS 102 122D 0 36,-3.3 36,-2.0 -2,-0.4 2,-0.4 -0.943 10.8-167.7-124.9 138.9 17.6 13.3 31.4 87 87 A A E -RS 101 121D 0 14,-2.6 14,-1.9 -2,-0.4 2,-0.5 -0.993 9.1-165.8-124.8 124.6 19.2 9.9 31.7 88 88 A V E -RS 100 120D 0 32,-2.6 32,-2.6 -2,-0.4 2,-0.6 -0.944 20.5-129.4-112.8 128.9 17.2 6.8 32.8 89 89 A D E + S 0 119D 0 10,-2.4 9,-3.0 -2,-0.5 30,-0.2 -0.656 28.9 173.3 -80.3 114.8 18.9 3.6 33.9 90 90 A L + 0 0 0 28,-2.1 93,-2.4 -2,-0.6 2,-0.8 0.124 37.7 119.0-110.0 19.5 17.4 0.7 31.9 91 91 A R B > -t 183 0E 57 91,-0.2 3,-2.1 1,-0.2 6,-0.2 -0.784 55.1-152.8 -86.6 108.2 19.7 -2.1 33.2 92 92 A R T 3 S+ 0 0 140 91,-2.9 -1,-0.2 -2,-0.8 5,-0.2 0.826 92.6 47.3 -51.1 -41.3 17.4 -4.5 34.9 93 93 A G T 3 S+ 0 0 66 90,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.477 88.5 110.5 -82.4 -2.2 20.1 -5.8 37.3 94 94 A S S X S- 0 0 21 -3,-2.1 3,-1.8 90,-0.2 -5,-0.0 -0.490 73.4-130.7 -74.6 143.0 21.3 -2.3 38.2 95 95 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.713 112.5 47.0 -61.1 -19.2 20.7 -1.1 41.8 96 96 A T T > S+ 0 0 18 -5,-0.1 3,-2.4 3,-0.1 -7,-0.4 0.085 77.9 149.6-111.8 21.4 19.3 2.1 40.1 97 97 A F T < S+ 0 0 57 -3,-1.8 -7,-0.2 1,-0.3 3,-0.1 -0.341 74.2 15.0 -54.1 127.4 17.1 0.4 37.5 98 98 A G T 3 S+ 0 0 17 -9,-3.0 -1,-0.3 1,-0.3 2,-0.2 0.354 101.2 116.8 85.1 -4.6 14.2 2.7 36.7 99 99 A Q < - 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