==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 17-FEB-03 1NZC . COMPND 2 MOLECULE: DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SUIS; . AUTHOR C.DONG,L.L.MAJOR,A.ALLEN,W.BLANKENFELDT,D.MASKELL, . 780 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35163.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 507 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 271 34.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 60 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 7 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 RESIDUES PER ALPHA HELIX . 8 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 4 1 19 4 4 8 4 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 4 0 0 4 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 T 0 0 92 0, 0.0 6,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.9 -14.9 10.0 16.6 2 3 A E + 0 0 180 22,-0.1 113,-0.1 5,-0.0 5,-0.1 0.764 360.0 108.6 -98.7 -31.6 -13.0 12.8 14.8 3 4 A N - 0 0 82 1,-0.1 4,-0.2 3,-0.1 0, 0.0 -0.174 59.6-145.0 -52.4 137.2 -10.3 13.8 17.3 4 5 A F S S+ 0 0 54 2,-0.1 3,-0.3 22,-0.1 2,-0.3 0.918 80.4 51.9 -68.7 -48.5 -6.7 12.8 16.4 5 6 A F S S+ 0 0 103 1,-0.2 23,-0.2 21,-0.1 -2,-0.0 -0.744 109.2 12.5 -97.1 140.8 -5.5 12.2 20.0 6 7 A G S S+ 0 0 48 21,-2.3 -1,-0.2 -2,-0.3 22,-0.1 0.577 74.1 160.0 83.2 17.6 -7.2 10.1 22.7 7 8 A K - 0 0 10 18,-0.4 2,-0.4 -3,-0.3 -1,-0.2 -0.313 44.3-113.8 -68.6 153.6 -9.7 8.1 20.7 8 9 A T - 0 0 118 17,-0.1 2,-0.3 18,-0.1 16,-0.2 -0.716 39.9-103.4 -77.8 130.7 -11.1 4.8 22.1 9 10 A L + 0 0 37 -2,-0.4 2,-0.3 14,-0.1 16,-0.2 -0.447 63.6 153.6 -55.1 120.8 -10.0 1.8 20.0 10 11 A A E -A 24 0A 35 14,-1.4 14,-2.1 -2,-0.3 2,-0.3 -0.976 33.5-143.5-152.0 160.2 -13.1 1.0 17.9 11 12 A A E -A 23 0A 37 -2,-0.3 12,-0.2 12,-0.2 10,-0.0 -0.944 10.4-177.2-131.0 148.6 -14.3 -0.5 14.6 12 13 A R E -A 22 0A 114 10,-2.1 10,-3.0 -2,-0.3 -2,-0.0 -0.982 24.9-125.8-141.9 130.4 -17.0 0.2 12.1 13 14 A P E -A 21 0A 93 0, 0.0 2,-0.6 0, 0.0 8,-0.2 -0.309 21.6-120.8 -68.5 160.2 -17.9 -1.8 9.0 14 15 A V > - 0 0 10 6,-1.3 3,-0.9 3,-0.4 6,-0.3 -0.942 20.6-148.1-102.8 118.7 -18.1 -0.1 5.6 15 16 A E T 3 S+ 0 0 199 -2,-0.6 -1,-0.1 1,-0.2 93,-0.1 0.843 90.8 46.9 -60.0 -40.1 -21.7 -0.7 4.3 16 17 A A T 3 S+ 0 0 36 1,-0.2 -1,-0.2 91,-0.1 90,-0.1 0.675 112.6 49.6 -82.6 -15.6 -21.0 -0.8 0.6 17 18 A I S X S- 0 0 0 -3,-0.9 3,-1.9 3,-0.1 -3,-0.4 -0.854 84.9-137.6-129.3 91.9 -18.0 -3.2 0.8 18 19 A P T 3 S+ 0 0 65 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.140 85.4 19.1 -49.9 137.0 -18.6 -6.3 2.9 19 20 A G T 3 S+ 0 0 51 1,-0.3 2,-0.2 101,-0.1 -4,-0.1 0.217 90.2 125.2 88.5 -17.8 -15.7 -7.3 5.2 20 21 A M < - 0 0 1 -3,-1.9 -6,-1.3 -6,-0.3 2,-0.4 -0.542 41.1-166.1 -75.6 143.0 -14.1 -3.9 5.2 21 22 A L E -AB 13 119A 23 98,-1.6 98,-2.7 -8,-0.2 2,-0.5 -0.997 11.9-155.6-131.3 137.7 -13.5 -2.4 8.6 22 23 A E E -AB 12 118A 9 -10,-3.0 -10,-2.1 -2,-0.4 2,-0.4 -0.944 18.4-160.0-110.6 129.2 -12.5 1.1 9.6 23 24 A F E -AB 11 117A 0 94,-3.0 94,-1.8 -2,-0.5 2,-0.6 -0.927 17.6-143.1-113.2 140.2 -10.8 1.6 12.9 24 25 A D E -AB 10 116A 9 -14,-2.1 -14,-1.4 -2,-0.4 92,-0.2 -0.870 27.4-155.1 -88.8 126.3 -10.3 4.6 15.2 25 26 A I - 0 0 0 90,-2.5 -18,-0.4 -2,-0.6 2,-0.4 -0.887 13.7-122.4-107.2 130.2 -6.8 4.3 16.7 26 27 A P - 0 0 25 0, 0.0 11,-0.5 0, 0.0 2,-0.4 -0.564 29.8-175.2 -69.5 128.0 -5.7 5.8 20.0 27 28 A V E -H 36 0B 0 -2,-0.4 -21,-2.3 -23,-0.3 2,-0.5 -0.985 9.0-157.8-125.6 131.6 -2.8 8.2 19.6 28 29 A H E -H 35 0B 117 7,-2.7 7,-1.8 -2,-0.4 2,-0.3 -0.965 14.4-167.6-118.1 119.0 -1.2 9.8 22.7 29 30 A G E +H 34 0B 42 -2,-0.5 5,-0.3 5,-0.2 2,-0.2 -0.711 16.2 155.5-107.7 154.3 0.7 13.0 22.2 30 31 A D E > -H 33 0B 76 3,-2.5 3,-1.0 -2,-0.3 -2,-0.0 -0.836 62.6 -66.9-149.8-166.2 3.1 15.1 24.3 31 32 A N T 3 S+ 0 0 124 -2,-0.2 233,-0.1 1,-0.2 3,-0.1 0.797 129.2 53.4 -59.1 -29.7 5.9 17.7 23.7 32 33 A R T 3 S- 0 0 34 1,-0.1 232,-1.8 231,-0.1 2,-0.4 0.671 121.7 -94.2 -80.9 -18.3 8.2 15.0 22.2 33 34 A G E < -HI 30 263B 8 -3,-1.0 -3,-2.5 230,-0.2 2,-0.3 -0.981 55.2 -62.7 142.1-132.4 5.6 13.8 19.6 34 35 A W E -HI 29 262B 19 228,-2.2 228,-2.0 -2,-0.4 2,-0.3 -0.968 28.0-147.4-152.5 170.3 3.2 10.9 19.8 35 36 A F E +HI 28 261B 67 -7,-1.8 -7,-2.7 -2,-0.3 2,-0.3 -0.990 15.2 177.5-139.6 139.2 2.8 7.1 20.3 36 37 A K E -HI 27 260B 0 224,-2.1 224,-2.4 -2,-0.3 2,-1.2 -0.994 36.6-131.0-139.8 144.8 0.2 4.6 19.0 37 38 A E E - I 0 259B 31 -11,-0.5 222,-0.2 -2,-0.3 3,-0.2 -0.844 32.8-173.9 -76.2 96.4 -0.4 0.9 19.2 38 39 A N E S+ 0 0 5 220,-1.6 2,-0.3 -2,-1.2 221,-0.2 0.857 71.3 8.6 -66.4 -36.9 -1.0 0.8 15.4 39 40 A F E + I 0 258B 0 219,-1.7 219,-2.6 -3,-0.1 2,-0.4 -0.976 63.8 176.1-145.0 132.8 -2.0 -2.9 15.5 40 41 A Q E > - I 0 257B 5 -2,-0.3 4,-1.9 217,-0.2 3,-0.2 -0.925 15.3-158.9-140.7 107.8 -2.6 -5.0 18.6 41 42 A K H > S+ 0 0 40 215,-2.2 4,-2.1 -2,-0.4 -1,-0.1 0.899 88.6 50.0 -60.5 -48.4 -3.8 -8.5 17.9 42 43 A E H 4 S+ 0 0 121 1,-0.2 -1,-0.2 214,-0.2 215,-0.1 0.866 117.0 41.4 -61.0 -37.4 -5.4 -9.3 21.2 43 44 A K H 4 S+ 0 0 94 -3,-0.2 4,-0.3 1,-0.1 -1,-0.2 0.768 114.5 50.7 -81.9 -26.1 -7.4 -6.0 21.3 44 45 A M H ><>S+ 0 0 1 -4,-1.9 5,-1.9 1,-0.2 3,-0.8 0.813 95.7 67.3 -90.3 -25.8 -8.4 -6.0 17.6 45 46 A L G ><5S+ 0 0 44 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.933 98.6 51.3 -59.6 -47.4 -9.9 -9.6 17.3 46 47 A P G 3 5S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.731 104.9 59.5 -62.3 -20.3 -12.9 -8.9 19.6 47 48 A L G < 5S- 0 0 63 -3,-0.8 -2,-0.2 -4,-0.3 -3,-0.1 0.377 130.8 -91.0 -87.0 1.2 -13.7 -5.8 17.4 48 49 A G T < 5S+ 0 0 44 -3,-1.9 -3,-0.2 1,-0.3 -4,-0.1 0.404 72.7 150.3 107.4 -3.8 -14.1 -8.0 14.3 49 50 A F < - 0 0 3 -5,-1.9 -1,-0.3 1,-0.1 2,-0.1 -0.503 59.5-107.7 -56.2 121.4 -10.5 -8.1 12.8 50 51 A P > - 0 0 35 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.347 16.5-147.5 -71.2 134.0 -10.8 -11.6 11.3 51 52 A E G > S+ 0 0 145 1,-0.3 3,-2.1 2,-0.2 4,-0.3 0.822 96.0 73.9 -65.6 -27.5 -9.0 -14.5 12.7 52 53 A S G > S+ 0 0 82 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.737 79.2 74.9 -57.2 -24.0 -8.6 -15.9 9.2 53 54 A F G < S+ 0 0 4 -3,-1.6 -1,-0.3 1,-0.2 3,-0.3 0.863 103.5 38.2 -51.4 -36.5 -6.0 -13.2 8.6 54 55 A F G X S+ 0 0 44 -3,-2.1 3,-1.1 -4,-0.3 -1,-0.2 0.354 85.4 105.6 -98.0 1.3 -3.6 -15.3 10.7 55 56 A A T < S+ 0 0 83 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.758 85.0 38.6 -62.4 -32.4 -4.7 -18.8 9.4 56 57 A E T 3 S- 0 0 122 -4,-0.3 -1,-0.3 -3,-0.3 3,-0.1 0.467 103.5-122.2 -99.5 -4.0 -1.6 -19.4 7.3 57 58 A G < + 0 0 39 -3,-1.1 2,-0.4 1,-0.2 -2,-0.1 0.737 63.2 142.5 71.9 22.3 1.0 -17.9 9.5 58 59 A K + 0 0 59 84,-0.3 2,-0.4 -5,-0.2 -1,-0.2 -0.812 22.3 172.6-101.1 136.9 2.1 -15.5 6.8 59 60 A L + 0 0 13 -2,-0.4 179,-2.3 -3,-0.1 2,-0.3 -0.984 9.5 164.6-149.7 131.3 3.1 -11.9 7.6 60 61 A Q E -CD 141 237A 1 81,-1.8 81,-2.5 -2,-0.4 2,-0.5 -0.990 18.5-156.0-144.0 139.6 4.7 -9.0 5.8 61 62 A N E -CD 140 236A 1 175,-2.7 175,-2.2 -2,-0.3 174,-1.2 -0.978 16.6-172.0-116.6 113.8 4.9 -5.3 6.6 62 63 A N E -CD 139 234A 7 77,-2.3 77,-2.5 -2,-0.5 2,-0.4 -0.816 2.0-169.1-102.9 148.3 5.3 -3.0 3.7 63 64 A V E -CD 138 233A 1 170,-2.6 170,-2.5 -2,-0.3 2,-0.4 -0.998 3.2-173.6-138.0 132.0 6.0 0.8 3.9 64 65 A S E -CD 137 232A 3 73,-2.7 73,-3.0 -2,-0.4 2,-0.5 -0.961 11.9-152.5-121.7 148.8 6.0 3.4 1.2 65 66 A F E +CD 136 231A 22 166,-2.5 166,-2.5 -2,-0.4 2,-0.3 -0.978 25.2 172.2-119.5 127.4 7.0 7.0 1.3 66 67 A S E -CD 135 230A 0 69,-2.2 69,-1.9 -2,-0.5 164,-0.2 -0.966 24.7-130.3-137.6 149.3 5.2 9.4 -1.1 67 68 A R E > -C 134 0A 130 162,-1.2 3,-2.1 -2,-0.3 63,-0.3 -0.586 51.8 -62.0 -94.4 166.1 4.9 13.1 -1.8 68 69 A K T 3 S+ 0 0 114 65,-2.1 63,-0.2 1,-0.3 -1,-0.2 -0.059 121.2 16.5 -42.8 134.8 1.8 15.3 -2.3 69 70 A N T 3 S+ 0 0 39 61,-2.6 105,-1.8 1,-0.3 -1,-0.3 0.218 84.8 140.0 80.2 -11.3 -0.4 14.2 -5.3 70 71 A V B < -o 174 0C 2 -3,-2.1 60,-2.5 103,-0.2 2,-0.4 -0.420 35.5-162.8 -56.6 134.1 1.2 10.8 -5.6 71 72 A L E -P 129 0D 0 103,-2.0 2,-0.5 58,-0.2 105,-0.4 -0.999 9.6-176.3-126.4 125.8 -1.5 8.4 -6.4 72 73 A R E -P 128 0D 14 56,-2.5 56,-2.4 -2,-0.4 2,-0.4 -0.982 30.9 -45.7-121.0 128.3 -1.0 4.6 -6.0 73 74 A G E -P 127 0D 0 -2,-0.5 85,-0.6 54,-0.2 54,-0.2 -0.847 11.2-133.1 152.0-159.6 -3.6 2.2 -7.0 74 75 A L E + 0 0 0 52,-0.9 82,-2.3 -2,-0.4 2,-0.5 0.689 55.5 161.4 22.4 87.6 -6.3 0.2 -7.6 75 76 A H E +PQ 126 155D 32 51,-2.1 51,-2.3 80,-0.2 80,-0.2 -0.941 20.8 174.8-119.1 125.1 -4.6 -3.0 -6.5 76 77 A A E + Q 0 154D 3 78,-2.8 78,-0.8 -2,-0.5 49,-0.1 -0.471 17.1 166.7-128.8 58.2 -6.5 -6.2 -5.6 77 78 A E - 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