==== 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 18-SEP-08 3EJK . COMPND 2 MOLECULE: DTDP SUGAR ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO DESULFURICANS SUBSP. . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 157 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8626.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 35.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 17 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 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 . 1 2 3 2 0 1 2 0 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 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 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 14 A A 0 0 82 0, 0.0 2,-0.4 0, 0.0 11,-0.2 0.000 360.0 360.0 360.0 139.8 -0.9 8.3 -6.9 2 15 A I E -A 11 0A 109 9,-3.6 9,-2.6 1,-0.0 2,-0.2 -0.728 360.0-138.6 -88.7 131.4 1.3 10.5 -9.0 3 16 A L E -A 10 0A 119 -2,-0.4 7,-0.2 7,-0.2 4,-0.1 -0.527 17.0-148.8 -87.1 156.2 4.8 9.3 -9.7 4 17 A L - 0 0 32 5,-1.3 5,-0.2 2,-0.5 4,-0.2 -0.720 33.0 -94.7-121.9 171.2 7.7 11.7 -9.5 5 18 A P S S+ 0 0 76 0, 0.0 2,-0.6 0, 0.0 82,-0.1 0.520 109.1 75.6 -71.1 -2.8 11.0 11.9 -11.4 6 19 A V S > S- 0 0 1 3,-0.1 3,-1.9 80,-0.1 -2,-0.5 -0.959 98.5-108.6-108.4 122.2 12.7 10.0 -8.6 7 20 A E T 3 S+ 0 0 97 -2,-0.6 3,-0.1 1,-0.3 77,-0.1 -0.242 99.3 10.8 -52.2 128.8 11.8 6.3 -8.7 8 21 A G T 3 S+ 0 0 15 1,-0.3 2,-0.3 -4,-0.2 -1,-0.3 0.167 93.0 123.2 88.3 -17.0 9.5 5.2 -5.9 9 22 A A < - 0 0 0 -3,-1.9 -5,-1.3 -5,-0.2 2,-0.3 -0.625 41.7-177.6 -76.4 132.8 8.6 8.7 -4.8 10 23 A Q E -AB 3 103A 58 93,-1.3 93,-3.0 -2,-0.3 2,-0.4 -0.975 23.5-154.4-138.2 153.6 4.9 9.2 -5.0 11 24 A L E -AB 2 102A 21 -9,-2.6 -9,-3.6 -2,-0.3 2,-0.4 -0.991 18.8-179.3-129.1 124.6 2.3 11.9 -4.4 12 25 A S E - B 0 101A 11 89,-2.4 89,-3.1 -2,-0.4 2,-0.1 -0.950 29.9 -99.9-129.6 150.5 -1.2 11.1 -3.4 13 26 A E E - B 0 100A 134 -2,-0.4 2,-0.4 87,-0.2 87,-0.2 -0.354 28.3-159.6 -65.0 140.1 -4.4 13.1 -2.7 14 27 A L - 0 0 20 85,-1.2 2,-0.2 -2,-0.1 85,-0.1 -0.993 18.6-124.8-122.4 129.8 -5.5 13.8 0.8 15 28 A R - 0 0 161 -2,-0.4 11,-2.6 10,-0.0 2,-0.5 -0.465 12.6-157.7 -78.5 139.6 -9.1 14.7 1.6 16 29 A Q E -F 25 0B 67 9,-0.2 9,-0.2 -2,-0.2 -1,-0.0 -0.981 12.8-153.8-112.5 115.2 -10.0 17.8 3.5 17 30 A I E -F 24 0B 50 7,-3.5 7,-2.4 -2,-0.5 2,-0.1 -0.799 15.1-130.3 -92.3 118.6 -13.4 17.4 5.1 18 31 A P + 0 0 118 0, 0.0 2,-0.3 0, 0.0 7,-0.0 -0.457 39.5 158.5 -68.5 143.9 -15.2 20.7 5.6 19 32 A A > - 0 0 51 -2,-0.1 3,-2.0 0, 0.0 2,-0.1 -0.973 46.7 -86.6-162.0 150.2 -16.6 21.2 9.1 20 33 A E T 3 S+ 0 0 197 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 -0.380 115.4 22.6 -62.5 127.6 -17.7 24.0 11.5 21 34 A G T 3 S- 0 0 87 -2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.112 136.8 -39.2 103.2 -19.2 -14.8 25.3 13.5 22 35 A G S < S- 0 0 36 -3,-2.0 -5,-0.0 -5,-0.0 0, 0.0 -0.546 75.8 -67.0 141.3 157.0 -12.4 24.1 10.9 23 36 A P - 0 0 60 0, 0.0 2,-0.5 0, 0.0 -3,-0.0 -0.241 32.9-125.9 -78.8 158.7 -11.7 21.2 8.6 24 37 A V E -F 17 0B 79 -7,-2.4 -7,-3.5 0, 0.0 2,-0.6 -0.853 26.5-155.7 -94.8 128.7 -10.7 17.7 9.2 25 38 A L E -F 16 0B 46 -2,-0.5 -9,-0.2 -9,-0.2 2,-0.1 -0.937 5.0-144.8-114.4 117.7 -7.6 16.7 7.4 26 39 A H + 0 0 65 -11,-2.6 3,-0.1 -2,-0.6 -12,-0.0 -0.318 27.3 159.6 -75.4 160.7 -6.9 13.1 6.5 27 40 A X - 0 0 41 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.374 58.2 -13.1-138.3 -64.6 -3.5 11.5 6.4 28 41 A L - 0 0 45 -14,-0.0 2,-0.3 4,-0.0 -1,-0.1 -0.993 45.1-169.4-156.6 141.4 -3.5 7.7 6.6 29 42 A R > - 0 0 152 -2,-0.3 3,-1.1 -3,-0.1 6,-0.2 -0.859 38.7-111.2-122.6 165.2 -5.7 4.8 7.3 30 43 A L T 3 S+ 0 0 145 -2,-0.3 -1,-0.0 1,-0.3 8,-0.0 0.779 122.3 42.3 -64.9 -29.8 -5.0 1.1 7.8 31 44 A D T 3 S+ 0 0 102 3,-0.0 -1,-0.3 2,-0.0 -3,-0.0 0.402 85.4 126.8 -99.2 2.1 -6.7 0.3 4.6 32 45 A S X - 0 0 21 -3,-1.1 3,-1.7 1,-0.2 -4,-0.0 -0.309 67.3-130.4 -60.4 138.7 -5.2 3.2 2.7 33 46 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.807 109.9 54.3 -62.0 -19.1 -3.5 2.0 -0.4 34 47 A Q T 3 S+ 0 0 62 -5,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.499 87.2 99.2 -93.0 -5.4 -0.5 4.0 0.8 35 48 A F < + 0 0 51 -3,-1.7 3,-0.1 -6,-0.2 -5,-0.0 -0.667 32.3 153.0 -87.0 136.3 -0.3 2.3 4.2 36 49 A S - 0 0 96 -2,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.622 64.1 -16.3-119.1 -60.3 2.2 -0.4 4.6 37 50 A Q - 0 0 114 91,-0.0 2,-0.7 0, 0.0 -1,-0.3 -0.989 57.9-117.1-156.6 141.1 3.2 -0.6 8.3 38 51 A F + 0 0 128 -2,-0.3 89,-0.2 1,-0.2 3,-0.1 -0.731 45.9 142.4 -89.1 115.9 3.1 1.5 11.4 39 52 A G - 0 0 15 87,-2.7 2,-0.3 -2,-0.7 88,-0.2 0.751 66.8 -26.0-110.5 -55.9 6.4 2.5 12.9 40 53 A E E -C 126 0A 63 86,-2.0 86,-2.2 88,-0.2 2,-0.4 -0.996 38.8-148.4-162.4 152.1 6.0 6.0 14.2 41 54 A I E +C 125 0A 76 -2,-0.3 2,-0.3 84,-0.2 84,-0.2 -0.993 35.3 148.9-126.5 121.5 4.1 9.2 13.9 42 55 A Y E -C 124 0A 79 82,-1.9 82,-2.8 -2,-0.4 2,-0.3 -0.935 32.3-129.4-140.9 169.6 6.0 12.5 14.7 43 56 A F E -C 123 0A 129 -2,-0.3 2,-0.4 80,-0.2 80,-0.2 -0.868 6.2-156.3-123.6 154.4 6.0 16.1 13.7 44 57 A S E -C 122 0A 17 78,-2.6 78,-2.9 -2,-0.3 2,-0.4 -0.982 10.8-149.4-132.9 117.8 8.6 18.6 12.6 45 58 A E E -C 121 0A 120 -2,-0.4 2,-0.4 76,-0.2 76,-0.2 -0.703 11.5-168.9 -86.4 136.9 8.2 22.3 13.0 46 59 A V E -C 120 0A 2 74,-2.4 74,-2.9 -2,-0.4 3,-0.1 -0.971 14.0-142.0-128.2 113.7 9.9 24.4 10.4 47 60 A L > - 0 0 82 -2,-0.4 3,-2.3 72,-0.2 67,-0.5 -0.372 47.0 -70.0 -69.4 155.7 10.0 28.1 11.0 48 61 A P B 3 S+g 114 0C 44 0, 0.0 67,-0.2 0, 0.0 -1,-0.2 -0.203 117.7 2.2 -57.9 132.7 9.6 30.4 8.0 49 62 A R T 3 S+ 0 0 130 65,-2.3 2,-0.2 1,-0.3 66,-0.1 0.411 99.7 134.0 73.1 4.7 12.4 30.3 5.5 50 63 A R < - 0 0 154 -3,-2.3 64,-1.7 65,-0.1 2,-0.4 -0.589 44.7-144.2 -84.7 144.7 14.2 27.7 7.6 51 64 A V E -H 113 0C 27 -2,-0.2 2,-0.5 62,-0.2 62,-0.2 -0.895 15.1-169.5-114.2 135.8 15.8 24.7 5.9 52 65 A K E -H 112 0C 94 60,-3.5 60,-2.1 -2,-0.4 2,-0.3 -0.900 33.9-176.0-122.8 98.9 16.1 21.1 7.2 53 66 A A E +H 111 0C 25 -2,-0.5 87,-0.3 58,-0.3 58,-0.2 -0.987 28.4 13.9-155.0 149.3 18.4 19.2 4.8 54 67 A W E + 0 0 5 56,-0.6 84,-1.7 -2,-0.3 2,-0.3 0.666 54.6 152.7-119.3 152.5 19.8 16.6 4.1 55 68 A K E +HI 110 137C 73 55,-2.6 55,-2.9 82,-0.2 2,-0.3 -0.969 11.5 179.7-132.5 151.5 18.6 13.3 5.3 56 69 A R E - I 0 136C 60 80,-2.2 80,-3.2 -2,-0.3 2,-0.4 -0.993 10.9-155.3-147.8 138.4 18.7 9.7 4.1 57 70 A H E - I 0 135C 10 51,-0.4 50,-3.2 -2,-0.3 51,-0.2 -0.948 12.8-145.7-117.8 142.7 17.4 6.4 5.6 58 71 A S S S- 0 0 56 76,-2.6 77,-0.1 -2,-0.4 -1,-0.1 0.825 94.3 -3.9 -71.2 -38.9 18.7 2.9 4.9 59 72 A L S S+ 0 0 116 75,-0.3 -1,-0.1 47,-0.1 76,-0.1 0.618 105.3 103.0-125.4 -31.7 15.4 1.0 5.2 60 73 A X - 0 0 4 74,-0.2 2,-0.4 45,-0.1 -3,-0.2 -0.306 52.4-150.0 -67.7 141.5 12.8 3.4 6.3 61 74 A T - 0 0 18 45,-0.1 66,-1.0 44,-0.1 2,-0.3 -0.911 13.6-141.1-107.3 139.4 10.1 5.0 4.1 62 75 A Q E -D 104 0A 2 42,-2.3 42,-2.4 -2,-0.4 2,-0.4 -0.746 12.1-167.8-102.3 144.6 8.7 8.4 4.8 63 76 A L E -D 103 0A 16 -2,-0.3 62,-2.1 40,-0.2 2,-0.4 -0.870 19.3-167.7-132.4 96.5 5.1 9.5 4.5 64 77 A F E +DE 102 124A 2 38,-2.3 38,-2.1 -2,-0.4 2,-0.3 -0.696 14.7 171.9 -90.4 136.0 4.9 13.3 4.7 65 78 A A E - E 0 123A 0 58,-2.3 58,-3.7 -2,-0.4 36,-0.1 -0.972 18.6-153.9-136.3 147.7 1.8 15.5 5.1 66 79 A V E + 0 0 1 34,-0.4 29,-0.5 -2,-0.3 56,-0.2 -0.773 22.2 164.6-124.8 85.6 1.9 19.2 5.8 67 80 A P E + 0 0 25 0, 0.0 2,-0.4 0, 0.0 55,-0.1 0.664 69.4 46.3 -79.3 -15.3 -1.3 20.3 7.7 68 81 A V E S- E 0 121A 72 53,-1.0 53,-2.4 26,-0.0 2,-0.0 -0.997 114.5 -25.6-130.2 128.7 -0.0 23.6 8.7 69 82 A G S S- 0 0 30 -2,-0.4 26,-0.6 51,-0.2 2,-0.3 -0.263 82.4 -70.3 75.4-151.3 1.8 26.1 6.5 70 83 A C E -J 94 0C 29 45,-0.4 45,-2.1 48,-0.3 2,-0.3 -0.997 37.8-172.7-151.2 136.8 3.8 25.2 3.4 71 84 A I E -JK 93 114C 0 22,-2.9 22,-2.8 -2,-0.3 2,-0.5 -0.929 20.3-139.2-131.3 158.3 7.0 23.5 2.5 72 85 A H E -JK 92 113C 54 41,-2.5 41,-1.9 -2,-0.3 2,-0.4 -0.976 25.3-164.2-109.5 120.2 9.2 22.9 -0.5 73 86 A V E -JK 91 112C 2 18,-3.5 18,-2.6 -2,-0.5 2,-0.4 -0.886 4.7-165.4-107.0 139.2 10.6 19.4 -0.5 74 87 A V E -JK 90 111C 1 37,-2.6 37,-1.6 -2,-0.4 2,-0.4 -0.996 2.6-164.4-124.9 132.8 13.5 18.3 -2.7 75 88 A L E -JK 89 110C 2 14,-3.2 14,-2.2 -2,-0.4 2,-0.4 -0.904 0.7-165.9-115.0 139.5 14.4 14.7 -3.3 76 89 A Y E -JK 88 109C 37 33,-2.3 33,-2.1 -2,-0.4 2,-1.2 -0.982 15.9-140.4-131.3 119.5 17.8 13.5 -4.7 77 90 A D + 0 0 0 10,-2.7 9,-3.5 -2,-0.4 10,-0.2 -0.664 29.8 164.1 -84.0 96.4 18.3 10.0 -6.0 78 91 A G + 0 0 26 -2,-1.2 2,-0.6 29,-0.5 -1,-0.2 0.336 34.2 124.7 -91.7 5.8 21.7 8.9 -4.9 79 92 A R > - 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