==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 07-MAR-00 1DZT . COMPND 2 MOLECULE: DTDP-4-DEHYDRORHAMNOSE 3\,5-EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR J.H.NAISMITH,M.F.GIRAUD . 366 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16670.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 38.0 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 . 36 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 3 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 . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 5 5 1 3 5 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 M 0 0 183 0, 0.0 2,-0.2 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 168.7 3.7 55.3 29.8 2 2 A M - 0 0 63 16,-0.1 2,-0.4 1,-0.0 13,-0.0 -0.481 360.0-143.4 -68.7 139.4 4.5 51.8 28.6 3 3 A I E -A 16 0A 70 13,-2.3 13,-2.8 -2,-0.2 2,-0.5 -0.897 17.8-170.4-115.6 133.9 3.4 51.2 25.1 4 4 A V E -A 15 0A 54 -2,-0.4 2,-0.5 11,-0.2 11,-0.2 -0.976 11.7-166.8-118.3 119.8 2.0 48.1 23.5 5 5 A I E -A 14 0A 65 9,-2.9 9,-2.7 -2,-0.5 2,-0.2 -0.927 13.4-139.7-110.9 122.5 1.7 48.2 19.7 6 6 A K E -A 13 0A 141 -2,-0.5 7,-0.2 7,-0.2 2,-0.1 -0.529 21.4-149.8 -77.1 146.9 -0.4 45.6 17.8 7 7 A T - 0 0 28 5,-1.4 -1,-0.1 2,-0.6 5,-0.1 -0.390 37.6 -82.1-104.5-173.1 1.2 44.5 14.5 8 8 A A S S+ 0 0 83 -2,-0.1 92,-0.1 1,-0.1 -2,-0.0 0.792 121.2 63.0 -62.1 -28.3 -0.3 43.3 11.2 9 9 A I S > S- 0 0 0 1,-0.1 3,-1.5 3,-0.1 -2,-0.6 -0.897 87.8-137.6-102.1 119.8 -0.6 39.8 12.9 10 10 A P T 3 S+ 0 0 64 0, 0.0 -3,-0.3 0, 0.0 -1,-0.1 0.840 95.7 44.5 -38.4 -63.6 -3.0 39.9 15.9 11 11 A D T 3 S+ 0 0 80 -5,-0.1 2,-0.6 2,-0.0 -5,-0.0 0.631 94.9 88.2 -68.2 -12.1 -1.2 37.8 18.5 12 12 A V < - 0 0 0 -3,-1.5 -5,-1.4 102,-0.1 2,-0.4 -0.778 61.2-174.3 -90.9 124.8 2.2 39.4 17.8 13 13 A L E -AB 6 113A 16 100,-1.3 100,-3.3 -2,-0.6 2,-0.4 -0.925 22.0-144.6-124.1 144.3 2.8 42.5 19.9 14 14 A I E -AB 5 112A 21 -9,-2.7 -9,-2.9 -2,-0.4 2,-0.4 -0.876 21.1-161.5-100.7 133.0 5.6 45.2 20.1 15 15 A L E -AB 4 111A 2 96,-3.0 96,-2.4 -2,-0.4 -11,-0.2 -0.972 12.4-172.2-120.9 136.3 6.3 46.4 23.6 16 16 A E E -A 3 0A 47 -13,-2.8 -13,-2.3 -2,-0.4 94,-0.2 -0.841 24.8-139.2-129.3 92.1 8.1 49.6 24.4 17 17 A P - 0 0 13 0, 0.0 2,-0.4 0, 0.0 13,-0.1 -0.020 24.4 -97.6 -51.9 149.0 8.8 49.8 28.2 18 18 A K - 0 0 110 11,-0.2 2,-0.5 1,-0.0 11,-0.5 -0.558 46.6-156.6 -68.6 120.0 8.5 53.0 30.3 19 19 A V - 0 0 51 -2,-0.4 2,-0.5 9,-0.1 9,-0.2 -0.909 8.7-155.5-111.9 129.0 12.0 54.3 30.5 20 20 A F E +H 27 0B 120 7,-2.6 7,-1.6 -2,-0.5 2,-0.2 -0.864 61.4 0.6-103.2 125.0 13.3 56.6 33.2 21 21 A G E S-H 26 0B 63 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.591 87.0 -74.4 101.8-166.1 16.3 58.9 32.5 22 22 A D E > -H 25 0B 75 3,-1.3 3,-1.2 -2,-0.2 -2,-0.1 -0.451 57.7 -74.0-118.2-165.0 18.3 59.3 29.3 23 23 A E T 3 S+ 0 0 64 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.105 125.8 52.6 -87.7 26.6 20.9 57.2 27.5 24 24 A R T 3 S+ 0 0 143 1,-0.3 -1,-0.2 213,-0.1 215,-0.1 0.078 126.9 12.4-138.2 14.8 23.7 58.0 30.0 25 25 A G E < S+H 22 0B 28 -3,-1.2 -3,-1.3 213,-0.1 2,-0.3 -0.294 84.3 140.6 168.3 98.3 21.8 57.0 33.1 26 26 A F E -HI 21 237B 11 211,-0.6 211,-2.4 -5,-0.2 2,-0.3 -0.882 27.6-159.6-144.5 177.2 18.5 55.1 33.0 27 27 A F E +HI 20 236B 71 -7,-1.6 -7,-2.6 -2,-0.3 2,-0.3 -0.952 16.8 159.0-159.5 139.0 16.3 52.4 34.5 28 28 A F E - I 0 235B 1 207,-1.9 207,-2.4 -2,-0.3 2,-0.7 -0.983 43.3-110.8-158.3 156.6 13.3 50.4 33.3 29 29 A E E - I 0 234B 63 -11,-0.5 205,-0.3 -2,-0.3 -11,-0.2 -0.855 26.1-170.0 -89.0 116.3 11.5 47.2 34.0 30 30 A S E S+ 0 0 8 203,-1.6 2,-0.3 -2,-0.7 204,-0.2 0.646 74.8 12.3 -81.8 -13.8 12.3 45.0 31.0 31 31 A Y E - I 0 233B 11 202,-1.5 202,-2.4 -3,-0.1 2,-0.3 -0.964 57.5-177.9-160.6 145.0 9.7 42.5 32.2 32 32 A N E > - I 0 232B 23 -2,-0.3 4,-3.0 200,-0.2 5,-0.2 -0.894 17.4-151.9-150.5 109.9 6.9 42.4 34.8 33 33 A Q H > S+ 0 0 24 198,-3.3 4,-2.5 -2,-0.3 5,-0.2 0.891 95.5 44.7 -47.1 -57.0 4.9 39.2 35.2 34 34 A Q H > S+ 0 0 109 197,-0.3 4,-2.0 2,-0.2 5,-0.3 0.927 115.4 47.9 -58.8 -48.5 1.6 40.8 36.3 35 35 A T H > S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.934 113.5 47.7 -58.6 -48.0 1.7 43.5 33.7 36 36 A F H X S+ 0 0 5 -4,-3.0 4,-2.4 1,-0.2 6,-0.2 0.878 109.9 52.3 -63.5 -40.2 2.5 41.0 30.9 37 37 A E H X S+ 0 0 46 -4,-2.5 4,-2.1 -5,-0.2 5,-0.5 0.922 111.3 43.9 -65.5 -44.9 -0.2 38.6 31.9 38 38 A E H < S+ 0 0 147 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.866 112.9 56.1 -69.3 -29.3 -3.0 41.1 31.9 39 39 A L H < S+ 0 0 55 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.911 114.9 36.1 -64.2 -43.0 -1.6 42.4 28.7 40 40 A I H < S- 0 0 35 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.690 102.8-132.4 -83.9 -20.8 -1.8 39.0 27.0 41 41 A G S < S+ 0 0 68 -4,-2.1 2,-0.3 -5,-0.2 -3,-0.2 0.377 78.0 75.4 85.9 -7.2 -5.0 38.1 28.8 42 42 A R S S- 0 0 103 -5,-0.5 -2,-0.2 -6,-0.2 -1,-0.2 -0.918 91.1 -94.3-134.4 159.2 -3.7 34.7 29.7 43 43 A K - 0 0 182 -2,-0.3 2,-0.4 -3,-0.1 -6,-0.0 -0.543 45.4-179.1 -71.0 139.1 -1.3 33.3 32.3 44 44 A V - 0 0 4 -2,-0.2 2,-0.5 -11,-0.1 -7,-0.1 -0.984 12.0-162.8-144.7 130.3 2.2 32.9 30.9 45 45 A T - 0 0 77 -2,-0.4 2,-0.6 91,-0.2 -2,-0.0 -0.957 8.0-151.7-118.0 128.1 5.3 31.6 32.5 46 46 A F + 0 0 18 -2,-0.5 90,-0.3 1,-0.1 3,-0.1 -0.866 16.4 174.9 -98.1 124.1 8.8 32.1 31.3 47 47 A V + 0 0 19 88,-1.8 170,-3.2 -2,-0.6 2,-0.3 0.511 61.4 40.6-105.5 -5.8 11.2 29.3 32.3 48 48 A Q E -CD 135 216A 2 87,-1.4 87,-2.6 168,-0.2 2,-0.5 -0.994 55.1-160.6-148.8 136.6 14.3 30.3 30.4 49 49 A D E -CD 134 215A 14 166,-2.5 166,-1.8 -2,-0.3 165,-1.8 -0.971 18.5-165.8-114.0 130.0 16.3 33.5 29.6 50 50 A N E -CD 133 213A 3 83,-3.1 83,-2.5 -2,-0.5 2,-0.4 -0.887 7.1-167.0-118.2 150.7 18.7 33.3 26.7 51 51 A H E +CD 132 212A 5 161,-2.8 161,-1.8 -2,-0.3 2,-0.3 -0.989 11.6 174.0-139.3 122.5 21.5 35.7 25.8 52 52 A S E -CD 131 211A 2 79,-3.0 79,-2.1 -2,-0.4 2,-0.4 -0.925 19.4-151.1-131.3 158.4 23.4 35.8 22.5 53 53 A K E +CD 130 210A 66 157,-2.1 157,-1.7 -2,-0.3 2,-0.3 -0.996 19.4 179.1-129.1 130.9 26.0 37.9 20.7 54 54 A S E -CD 129 209A 6 75,-2.6 75,-2.4 -2,-0.4 155,-0.2 -0.957 23.3-126.0-133.0 150.8 26.2 38.2 17.0 55 55 A K E > -C 128 0A 90 153,-1.2 3,-2.5 -2,-0.3 69,-0.3 -0.539 54.7 -66.5 -90.3 160.0 28.4 40.1 14.5 56 56 A K T 3 S+ 0 0 109 71,-2.4 69,-0.2 1,-0.3 -1,-0.2 -0.078 121.5 14.3 -46.2 137.5 27.0 42.3 11.8 57 57 A N T 3 S+ 0 0 15 67,-3.0 108,-2.3 1,-0.3 2,-0.4 0.319 84.6 138.4 76.8 -8.7 25.0 40.4 9.1 58 58 A V B < -o 165 0C 0 -3,-2.5 66,-2.2 106,-0.2 2,-0.5 -0.569 37.3-162.1 -69.8 125.0 24.7 37.2 11.2 59 59 A L E -P 123 0D 0 106,-2.6 2,-0.6 -2,-0.4 108,-0.4 -0.955 4.8-168.4-110.6 124.3 21.2 36.1 10.7 60 60 A R E -P 122 0D 37 62,-2.8 62,-1.9 -2,-0.5 2,-0.4 -0.958 36.0 -48.2-111.7 119.8 20.0 33.6 13.2 61 61 A G E -P 121 0D 2 -2,-0.6 86,-0.3 60,-0.2 60,-0.3 -0.730 5.8-136.6 151.1-176.7 16.8 31.9 12.4 62 62 A L E + 0 0 0 58,-3.6 85,-2.0 -2,-0.4 2,-0.3 0.899 64.2 156.1 76.0 74.7 13.5 30.9 11.5 63 63 A H E +PQ 120 146D 11 57,-1.6 57,-2.4 83,-0.2 2,-0.3 -0.902 14.0 156.3-124.0 153.5 13.3 28.5 14.4 64 64 A F E - 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