==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 24-MAR-00 1EP0 . COMPND 2 MOLECULE: DTDP-6-DEOXY-D-XYLO-4-HEXULOSE 3,5-EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER . AUTHOR D.CHRISTENDAT,V.SARIDAKIS,A.BOCHKAREV,E.F.PAI, . 183 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9795.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 33.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 1 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 . 20 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 0 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 3 2 1 1 2 1 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 . 1 0 0 1 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 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 3 A E 0 0 154 0, 0.0 17,-1.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 132.7 45.9 19.1 17.2 2 4 A F E -A 17 0A 31 15,-0.2 2,-0.4 2,-0.0 28,-0.0 -0.995 360.0-144.5-145.7 148.0 43.0 18.8 14.8 3 5 A R E -A 16 0A 144 13,-2.0 13,-2.9 -2,-0.3 2,-0.5 -0.974 15.5-159.0-113.9 131.9 42.4 18.3 11.2 4 6 A F E -A 15 0A 42 -2,-0.4 2,-0.5 11,-0.2 11,-0.2 -0.945 8.2-170.1-113.0 125.5 39.4 20.2 9.6 5 7 A I E -A 14 0A 33 9,-3.1 9,-3.0 -2,-0.5 2,-0.1 -0.971 12.5-141.2-123.3 120.4 38.1 18.8 6.3 6 8 A K E -A 13 0A 181 -2,-0.5 2,-0.2 7,-0.2 7,-0.2 -0.332 17.8-158.8 -74.7 163.4 35.5 20.7 4.2 7 9 A T - 0 0 34 5,-0.8 4,-0.1 2,-0.4 5,-0.1 -0.634 40.2 -77.1-131.0-174.3 32.7 18.9 2.4 8 10 A S S S+ 0 0 79 -2,-0.2 2,-0.5 2,-0.1 -2,-0.0 0.627 113.4 66.4 -65.0 -14.5 30.3 19.5 -0.5 9 11 A L S > S- 0 0 2 3,-0.2 3,-2.1 83,-0.0 -2,-0.4 -0.944 95.2-112.4-113.6 123.7 28.2 21.9 1.6 10 12 A D T 3 S+ 0 0 100 -2,-0.5 3,-0.1 1,-0.3 -2,-0.1 -0.234 99.3 13.2 -56.4 131.0 29.7 25.2 2.7 11 13 A G T 3 S+ 0 0 32 1,-0.2 2,-0.7 -4,-0.1 -1,-0.3 0.160 93.0 114.9 93.0 -20.3 30.2 25.3 6.5 12 14 A A < - 0 0 1 -3,-2.1 -5,-0.8 100,-0.1 2,-0.4 -0.751 49.0-178.2 -87.3 117.1 29.6 21.6 7.1 13 15 A I E -AB 6 111A 10 98,-1.4 98,-2.9 -2,-0.7 2,-0.4 -0.946 27.5-142.8-129.5 136.4 33.0 20.4 8.3 14 16 A I E -AB 5 110A 16 -9,-3.0 -9,-3.1 -2,-0.4 2,-0.4 -0.779 22.7-157.5 -92.4 136.6 34.5 17.0 9.4 15 17 A I E -AB 4 109A 0 94,-2.8 94,-2.7 -2,-0.4 -11,-0.2 -0.968 9.4-164.2-122.8 131.3 37.0 17.2 12.3 16 18 A E E -A 3 0A 52 -13,-2.9 -13,-2.0 -2,-0.4 2,-0.1 -0.940 11.6-159.0-114.0 111.1 39.6 14.7 13.2 17 19 A P E -A 2 0A 15 0, 0.0 2,-0.3 0, 0.0 -15,-0.2 -0.506 21.9-114.2 -83.7 156.4 41.1 15.0 16.7 18 20 A E - 0 0 55 -17,-1.3 11,-0.6 11,-0.2 2,-0.4 -0.706 28.0-150.0 -88.1 142.0 44.5 13.6 17.6 19 21 A V E -F 28 0B 47 -2,-0.3 2,-0.5 9,-0.1 9,-0.2 -0.936 4.3-156.7-116.3 139.1 44.5 10.7 20.1 20 22 A Y E -F 27 0B 129 7,-2.9 7,-2.4 -2,-0.4 2,-0.4 -0.964 13.4-168.9-114.1 127.0 47.4 9.9 22.6 21 23 A T E +F 26 0B 101 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.903 15.8 149.5-119.5 143.3 47.6 6.4 23.9 22 24 A D E > -F 25 0B 63 3,-2.3 3,-0.8 -2,-0.4 -2,-0.0 -0.763 63.8 -62.4-148.5-165.3 49.7 5.0 26.7 23 25 A E T 3 S+ 0 0 171 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.634 128.5 52.4 -65.9 -11.8 49.8 2.3 29.3 24 26 A R T 3 S- 0 0 205 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.689 120.0 -95.3 -95.8 -21.7 46.6 3.8 31.0 25 27 A G E < -F 22 0B 32 -3,-0.8 -3,-2.3 2,-0.0 2,-0.3 -0.975 62.7 -46.3 142.4-124.4 44.4 4.0 27.9 26 28 A Y E -F 21 0B 132 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.955 33.7-159.3-145.4 166.3 44.0 7.1 25.9 27 29 A F E +F 20 0B 143 -7,-2.4 -7,-2.9 -2,-0.3 2,-0.3 -0.993 15.0 171.2-143.2 139.3 43.4 10.8 26.0 28 30 A M E -F 19 0B 26 -2,-0.3 2,-0.6 -9,-0.2 -9,-0.1 -0.986 33.3-129.0-151.5 144.5 42.2 13.2 23.4 29 31 A E - 0 0 77 -11,-0.6 -11,-0.2 -2,-0.3 3,-0.1 -0.837 27.4-179.7 -88.4 122.4 41.1 16.8 23.2 30 32 A T + 0 0 43 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.609 63.0 21.3-102.7 -15.3 37.7 16.7 21.5 31 33 A F + 0 0 52 5,-0.0 2,-0.4 4,-0.0 -1,-0.3 -0.973 50.1 176.6-154.9 137.1 36.8 20.4 21.4 32 34 A N > - 0 0 51 -2,-0.3 4,-2.7 1,-0.1 5,-0.3 -0.923 18.8-154.4-140.7 111.1 38.8 23.6 21.6 33 35 A E H > S+ 0 0 88 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.911 91.0 45.4 -57.9 -49.0 36.6 26.7 21.2 34 36 A A H > S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.950 116.2 44.4 -61.9 -47.5 39.3 29.1 19.8 35 37 A I H > S+ 0 0 59 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.898 115.2 48.0 -64.1 -42.2 40.8 26.6 17.4 36 38 A F H <>S+ 0 0 1 -4,-2.7 5,-2.3 2,-0.2 3,-0.4 0.911 111.1 50.1 -67.7 -39.8 37.4 25.5 16.1 37 39 A Q H ><5S+ 0 0 58 -4,-2.6 3,-1.4 -5,-0.3 -2,-0.2 0.939 110.6 51.4 -63.2 -39.1 36.1 29.1 15.7 38 40 A E H 3<5S+ 0 0 134 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.715 108.4 52.7 -69.1 -24.2 39.3 29.9 13.7 39 41 A N T 3<5S- 0 0 77 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.032 134.7 -70.5-103.3 21.0 38.8 26.9 11.4 40 42 A G T < 5S+ 0 0 27 -3,-1.4 2,-0.6 1,-0.0 -3,-0.2 0.420 106.9 98.3 117.6 -6.6 35.3 27.6 10.3 41 43 A L < + 0 0 1 -5,-2.3 2,-2.5 -6,-0.1 -3,-0.1 -0.698 45.2 177.3-107.7 72.4 32.9 27.0 13.2 42 44 A E + 0 0 139 -2,-0.6 2,-0.3 -5,-0.1 -5,-0.1 -0.408 46.4 95.7 -81.6 72.8 32.5 30.7 14.3 43 45 A V - 0 0 30 -2,-2.5 2,-0.3 -10,-0.2 -2,-0.1 -0.881 65.9-128.8-147.1 172.8 30.0 29.8 17.0 44 46 A R - 0 0 185 -2,-0.3 2,-0.4 90,-0.2 -2,-0.0 -0.946 22.8-131.7-127.7 149.2 29.7 29.1 20.8 45 47 A F + 0 0 29 -2,-0.3 89,-0.3 1,-0.1 3,-0.1 -0.888 25.5 171.6-108.4 135.6 27.9 26.1 22.2 46 48 A V + 0 0 83 87,-2.4 2,-0.3 -2,-0.4 88,-0.2 0.414 64.4 39.8-120.8 -4.3 25.5 26.4 25.1 47 49 A Q E -C 133 0A 48 86,-1.4 86,-3.0 88,-0.1 2,-0.4 -0.992 57.5-162.6-148.4 137.8 23.9 23.0 25.4 48 50 A D E -C 132 0A 90 -2,-0.3 2,-0.3 84,-0.2 84,-0.2 -0.969 11.6-175.1-118.3 140.8 25.3 19.4 25.2 49 51 A N E -C 131 0A 45 82,-2.9 82,-2.6 -2,-0.4 2,-0.4 -0.900 8.9-159.2-127.8 159.1 23.1 16.3 24.7 50 52 A E E -C 130 0A 129 -2,-0.3 2,-0.3 80,-0.2 80,-0.2 -1.000 10.0-177.6-137.5 139.7 23.8 12.6 24.6 51 53 A S E -C 129 0A 20 78,-2.3 78,-2.7 -2,-0.4 2,-0.4 -0.969 15.6-153.1-135.0 150.7 21.8 9.8 23.0 52 54 A M E -C 128 0A 94 -2,-0.3 2,-0.4 76,-0.2 76,-0.2 -0.986 20.2-175.6-119.5 134.5 22.1 6.0 22.9 53 55 A S E -C 127 0A 1 74,-2.0 74,-2.7 -2,-0.4 71,-0.1 -0.994 19.4-132.4-132.9 137.0 20.5 4.3 19.9 54 56 A V E > -C 126 0A 70 -2,-0.4 3,-2.1 72,-0.2 68,-0.3 -0.456 51.8 -67.6 -83.4 165.3 20.1 0.7 19.0 55 57 A R T 3 S+ 0 0 91 70,-0.9 68,-0.2 1,-0.3 -1,-0.2 -0.200 121.9 22.0 -55.5 135.7 21.0 -0.6 15.6 56 58 A G T 3 S+ 0 0 0 66,-2.8 109,-2.5 1,-0.3 2,-0.3 0.359 84.9 138.6 89.9 -8.1 18.7 0.6 12.8 57 59 A V B < -g 165 0C 16 -3,-2.1 65,-3.1 107,-0.2 2,-0.5 -0.528 33.0-167.4 -69.4 134.4 17.5 3.7 14.8 58 60 A L E -H 121 0D 1 107,-2.5 2,-0.5 -2,-0.3 109,-0.4 -0.983 2.7-171.3-124.5 121.7 17.2 6.7 12.5 59 61 A R E -H 120 0D 96 61,-2.2 61,-2.0 -2,-0.5 2,-0.3 -0.947 34.6 -39.2-112.1 128.9 16.7 10.0 14.3 60 62 A G E - 0 0 0 -2,-0.5 87,-0.4 59,-0.2 59,-0.2 -0.867 10.5-142.3 136.4-172.4 16.0 13.1 12.2 61 63 A L E + 0 0 0 57,-0.3 84,-1.9 -2,-0.3 58,-0.2 0.255 61.2 168.0 -96.1 114.4 15.9 15.2 10.1 62 64 A H E +HI 118 144D 61 56,-2.5 56,-1.7 82,-0.2 2,-0.3 -0.587 17.3 159.7-100.7 149.2 15.7 18.0 12.6 63 65 A F E - I 0 143D 12 80,-1.8 80,-1.8 -2,-0.2 2,-0.6 -0.956 33.6-124.9-151.0 158.5 16.0 21.7 12.7 64 66 A Q E - I 0 142D 5 -2,-0.3 78,-0.2 78,-0.2 51,-0.2 -0.930 25.5-133.4-111.6 121.6 14.7 24.3 15.1 65 67 A R S S+ 0 0 122 76,-2.3 2,-2.2 -2,-0.6 118,-0.0 -0.337 81.5 8.9 -69.1 152.7 12.6 27.1 13.6 66 68 A E S S+ 0 0 125 1,-0.1 -1,-0.2 -2,-0.0 -2,-0.0 -0.307 135.4 37.5 79.1 -57.4 13.4 30.7 14.6 67 69 A K S S- 0 0 98 -2,-2.2 -1,-0.1 71,-0.1 -2,-0.1 -0.731 86.0-160.4-126.7 73.9 16.7 30.1 16.5 68 70 A P - 0 0 27 0, 0.0 2,-0.4 0, 0.0 46,-0.2 -0.237 10.7-130.9 -59.6 149.5 18.4 27.4 14.5 69 71 A Q - 0 0 16 47,-0.2 2,-0.3 44,-0.1 47,-0.3 -0.855 3.4-145.2-105.5 131.5 21.1 25.4 16.2 70 72 A G - 0 0 0 -2,-0.4 64,-2.1 44,-0.1 2,-0.4 -0.696 28.5-153.0 -81.5 149.4 24.5 24.6 14.8 71 73 A K E -DE 112 133A 14 41,-2.8 41,-3.1 -2,-0.3 2,-0.6 -0.987 20.6-162.0-134.2 132.0 25.5 21.1 15.9 72 74 A L E -DE 111 132A 3 60,-2.4 60,-2.2 -2,-0.4 2,-0.4 -0.959 24.9-170.7-112.1 114.0 28.9 19.4 16.6 73 75 A V E +DE 110 131A 0 37,-3.0 37,-2.3 -2,-0.6 2,-0.3 -0.840 13.2 163.6-112.2 137.3 28.3 15.6 16.6 74 76 A R E -DE 109 130A 34 56,-2.2 56,-2.8 -2,-0.4 2,-0.6 -0.970 31.4-123.4-145.4 163.9 30.7 12.8 17.6 75 77 A V E - E 0 129A 4 33,-0.6 54,-0.2 -2,-0.3 32,-0.2 -0.936 17.7-178.7-115.7 122.0 30.4 9.1 18.4 76 78 A I E S+ 0 0 61 52,-2.3 2,-0.3 -2,-0.6 53,-0.2 0.801 79.1 9.6 -87.0 -30.1 31.7 7.8 21.7 77 79 A R E S+ E 0 128A 132 51,-1.3 51,-2.3 47,-0.0 -1,-0.3 -0.978 115.9 4.9-150.2 133.3 30.8 4.2 21.1 78 80 A G S S- 0 0 10 -2,-0.3 26,-2.1 49,-0.2 27,-0.3 -0.550 81.2 -77.2 96.5-159.7 29.6 2.5 17.9 79 81 A E E -J 103 0D 49 24,-0.2 44,-2.6 -2,-0.2 45,-0.9 -0.983 36.9-178.0-151.3 136.8 29.1 3.9 14.4 80 82 A I E -JK 102 122D 0 22,-2.7 22,-2.3 -2,-0.3 2,-0.7 -0.897 29.8-128.8-131.0 160.7 26.5 6.0 12.7 81 83 A F E -JK 101 121D 24 40,-2.3 40,-2.1 -2,-0.3 2,-0.4 -0.961 37.0-161.2-105.7 111.7 25.9 7.4 9.2 82 84 A D E -JK 100 120D 0 18,-3.0 18,-2.2 -2,-0.7 2,-0.4 -0.816 5.2-162.6-103.5 135.5 25.4 11.1 10.0 83 85 A V E -JK 99 119D 0 36,-3.2 36,-2.0 -2,-0.4 2,-0.4 -0.939 12.2-166.5-126.8 134.9 23.7 13.4 7.5 84 86 A A E -JK 98 118D 0 14,-2.5 14,-2.0 -2,-0.4 2,-0.5 -0.974 7.6-164.8-112.0 134.7 23.5 17.2 7.0 85 87 A V E -JK 97 117D 0 32,-2.7 32,-2.5 -2,-0.4 2,-0.6 -0.983 18.5-133.9-121.0 123.5 20.9 18.7 4.7 86 88 A D E + K 0 116D 0 10,-2.6 9,-3.3 -2,-0.5 10,-0.4 -0.666 36.2 159.1 -79.1 115.2 21.4 22.4 3.6 87 89 A L + 0 0 0 28,-1.6 96,-3.1 -2,-0.6 2,-0.2 0.063 24.7 141.9-119.3 21.2 18.1 24.3 3.9 88 90 A R > - 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