==== 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 09-JUL-07 2QJV . COMPND 2 MOLECULE: UNCHARACTERIZED IOLB-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM LT2; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 526 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 225 42.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 61 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 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 . 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 PARALLEL BRIDGES PER LADDER . 4 7 4 11 5 0 6 2 2 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 . 3 0 2 2 2 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 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 A 0 0 87 0, 0.0 2,-0.4 0, 0.0 207,-0.0 0.000 360.0 360.0 360.0 156.0 54.7 55.8 48.8 2 3 A N + 0 0 114 1,-0.1 208,-0.0 208,-0.0 219,-0.0 -0.756 360.0 147.1-121.7 82.5 52.7 58.8 50.1 3 4 A L + 0 0 15 -2,-0.4 218,-2.3 217,-0.1 2,-0.4 0.626 46.4 86.0 -97.0 -10.5 54.1 61.9 48.3 4 5 A L E -A 220 0A 44 216,-0.2 2,-0.5 214,-0.0 216,-0.2 -0.756 49.9-174.2 -98.2 131.9 50.9 64.0 48.1 5 6 A S E -A 219 0A 24 214,-3.2 214,-2.3 -2,-0.4 2,-0.1 -0.945 11.0-160.6-123.2 108.4 49.7 66.3 50.8 6 7 A T - 0 0 82 -2,-0.5 212,-0.1 212,-0.2 211,-0.1 -0.508 40.1 -78.2 -83.2 158.2 46.2 67.9 50.2 7 8 A C - 0 0 36 209,-0.3 8,-0.2 -2,-0.1 -1,-0.1 -0.267 31.2-151.7 -59.0 135.9 45.2 71.0 52.1 8 9 A T S S- 0 0 120 6,-1.9 2,-0.2 5,-0.2 -1,-0.1 0.658 75.0 -5.4 -81.5 -14.1 44.0 70.3 55.7 9 10 A S - 0 0 53 5,-0.3 -1,-0.1 3,-0.1 3,-0.1 -0.936 63.3-113.7-162.2 175.5 41.7 73.4 55.8 10 11 A E S S+ 0 0 187 -2,-0.2 2,-0.3 1,-0.1 4,-0.1 0.707 98.4 34.7 -92.5 -24.6 40.6 76.5 53.8 11 12 A S S S+ 0 0 82 2,-0.1 2,-0.2 3,-0.0 23,-0.2 -0.879 103.4 15.6-130.2 163.5 42.0 79.0 56.4 12 13 A G E S+G 33 0B 21 21,-2.5 21,-2.7 -2,-0.3 2,-1.9 -0.560 121.8 0.2 78.5-141.5 45.0 79.2 58.7 13 14 A N E S+ 0 0 47 -2,-0.2 19,-0.2 19,-0.2 -5,-0.2 -0.504 71.9 166.5 -85.4 70.8 48.0 76.8 58.3 14 15 A I E + 0 0 2 -2,-1.9 -6,-1.9 17,-0.2 2,-0.4 0.744 66.5 37.6 -64.8 -25.8 46.6 75.0 55.3 15 16 A Q E +G 31 0B 2 16,-1.4 16,-2.2 -3,-0.2 2,-0.3 -0.997 61.2 170.4-129.5 128.8 49.9 73.3 54.5 16 17 A H E +G 30 0B 89 -2,-0.4 2,-0.5 14,-0.2 14,-0.2 -0.824 6.5 167.5-139.8 97.5 52.4 72.1 57.1 17 18 A I E +G 29 0B 2 12,-2.7 12,-2.9 -2,-0.3 -2,-0.0 -0.956 9.8 171.2-114.6 121.2 55.3 70.0 55.7 18 19 A S > - 0 0 15 -2,-0.5 4,-2.2 10,-0.2 5,-0.3 -0.878 48.6-111.0-126.1 157.8 58.2 69.3 58.0 19 20 A P H >>S+ 0 0 16 0, 0.0 5,-1.9 0, 0.0 4,-1.3 0.912 120.0 55.2 -51.9 -37.2 61.3 67.2 57.9 20 21 A Q H 45S+ 0 0 167 1,-0.2 3,-0.0 2,-0.2 -3,-0.0 0.896 115.3 34.6 -65.7 -42.3 59.6 65.1 60.6 21 22 A N H 45S+ 0 0 75 1,-0.2 -1,-0.2 -3,-0.1 -5,-0.0 0.628 117.2 54.9 -88.3 -13.0 56.4 64.4 58.7 22 23 A A H <5S- 0 0 16 -4,-2.2 -2,-0.2 5,-0.1 -1,-0.2 0.621 106.1-123.2 -90.4 -15.2 58.1 64.2 55.2 23 24 A G T <5S+ 0 0 73 -4,-1.3 2,-0.2 1,-0.3 -3,-0.2 0.861 76.2 95.6 74.2 35.5 60.6 61.5 56.3 24 25 A W S - 0 0 168 -2,-0.3 3,-2.4 65,-0.2 62,-0.3 -0.677 50.7 -79.4 -86.0 150.1 42.3 87.4 56.4 36 37 A A T 3 S+ 0 0 55 -2,-0.3 62,-0.2 1,-0.3 64,-0.1 -0.216 120.9 25.9 -48.0 125.6 43.2 91.1 56.4 37 38 A G T 3 S+ 0 0 62 60,-3.3 -1,-0.3 1,-0.4 2,-0.1 0.191 94.9 116.4 101.8 -17.1 44.2 92.2 59.9 38 39 A E < - 0 0 91 -3,-2.4 59,-3.2 59,-0.1 -1,-0.4 -0.486 44.6-166.6 -81.6 156.6 45.3 88.7 61.1 39 40 A S E -L 96 0C 48 57,-0.2 2,-0.3 -2,-0.1 57,-0.2 -0.926 14.2-160.4-138.4 161.4 48.9 88.0 62.1 40 41 A I E -L 95 0C 20 55,-2.0 55,-2.7 -2,-0.3 2,-0.5 -0.959 14.2-140.6-136.3 155.0 51.3 85.2 62.8 41 42 A T E -L 94 0C 82 -2,-0.3 53,-0.2 53,-0.2 51,-0.0 -0.985 10.8-151.2-118.7 125.9 54.6 85.1 64.7 42 43 A L E -L 93 0C 12 51,-3.2 51,-2.2 -2,-0.5 -2,-0.0 -0.813 27.3-117.5 -95.4 135.5 57.5 83.0 63.5 43 44 A P - 0 0 62 0, 0.0 2,-0.8 0, 0.0 48,-0.4 -0.272 13.2-111.4 -80.4 161.2 59.8 81.8 66.2 44 45 A S + 0 0 69 46,-0.2 2,-0.2 45,-0.1 48,-0.1 -0.784 67.2 127.8 -80.5 109.3 63.5 82.4 66.9 45 46 A D S S- 0 0 48 -2,-0.8 45,-3.0 2,-0.4 46,-0.2 -0.746 73.7 -73.0-149.1-166.7 65.0 78.9 66.2 46 47 A E S S+ 0 0 123 -2,-0.2 64,-2.7 43,-0.2 2,-0.4 0.142 97.2 92.7 -87.4 15.6 67.7 77.0 64.3 47 48 A R E -I 109 0B 50 62,-0.3 -2,-0.4 41,-0.1 44,-0.3 -0.911 64.0-144.3-113.9 137.8 66.0 77.4 60.9 48 49 A E E -I 108 0B 0 60,-2.2 60,-1.7 -2,-0.4 2,-0.3 -0.664 26.0-156.6 -87.6 155.8 66.4 80.1 58.2 49 50 A R E -IJ 107 87B 23 38,-2.8 38,-3.3 -2,-0.3 2,-0.4 -0.962 23.4-156.3-137.8 152.8 63.3 81.2 56.3 50 51 A C E -IJ 106 86B 0 56,-2.0 56,-2.6 -2,-0.3 2,-0.7 -0.977 18.6-154.2-129.8 110.6 62.1 82.7 53.1 51 52 A L E -IJ 105 85B 0 34,-2.9 34,-2.1 -2,-0.4 2,-0.5 -0.835 12.7-165.0 -87.5 112.9 58.6 84.3 53.4 52 53 A V E -IJ 104 84B 0 52,-3.0 52,-3.1 -2,-0.7 2,-1.2 -0.916 15.8-145.3-107.6 122.3 57.1 84.3 50.0 53 54 A L E +I 103 0B 4 30,-2.7 30,-0.5 -2,-0.5 50,-0.2 -0.779 22.1 176.9 -84.8 95.1 54.0 86.5 49.4 54 55 A V E S- 0 0 0 48,-1.8 2,-0.3 -2,-1.2 -1,-0.2 0.877 71.1 -8.3 -68.1 -39.2 52.1 84.2 47.0 55 56 A A E S+I 102 0B 9 47,-1.4 47,-2.9 -3,-0.2 -1,-0.3 -0.948 110.6 21.1-160.3 135.7 49.1 86.6 46.8 56 57 A G S S- 0 0 1 17,-2.7 16,-0.4 -2,-0.3 2,-0.4 -0.284 79.5 -63.9 97.2 177.9 48.2 89.7 48.8 57 58 A L + 0 0 19 43,-0.4 41,-2.4 14,-0.2 42,-1.6 -0.860 45.6 173.3-114.3 141.4 49.9 92.3 50.9 58 59 A A E -MN 70 97C 0 12,-1.9 12,-2.8 -2,-0.4 2,-0.4 -0.964 25.7-139.0-144.0 153.1 51.7 91.9 54.2 59 60 A S E - N 0 96C 2 37,-2.2 37,-2.4 -2,-0.3 2,-0.4 -0.915 22.8-160.7-109.3 144.0 53.8 93.9 56.7 60 61 A V E -MN 67 95C 0 7,-2.2 7,-2.6 -2,-0.4 2,-0.5 -0.994 9.6-168.5-133.7 124.3 56.9 92.1 58.3 61 62 A X E +MN 66 94C 137 33,-2.6 33,-2.3 -2,-0.4 2,-0.3 -0.975 23.4 152.4-112.4 122.1 58.7 93.0 61.5 62 63 A A E > -MN 65 93C 2 3,-2.4 3,-2.4 -2,-0.5 31,-0.2 -0.931 60.9 -39.0-155.2 128.2 62.0 91.2 62.0 63 64 A A T 3 S- 0 0 63 29,-0.7 28,-0.0 -2,-0.3 30,-0.0 -0.347 124.8 -21.8 53.9-123.5 65.2 92.2 64.0 64 65 A D T 3 S+ 0 0 153 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.293 121.1 94.3 -97.9 13.6 65.7 96.0 63.3 65 66 A S E < -M 62 0C 42 -3,-2.4 -3,-2.4 2,-0.0 2,-0.4 -0.817 47.5-174.1-114.3 140.3 63.7 96.0 60.1 66 67 A F E -M 61 0C 114 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.995 5.9-166.2-130.8 124.2 60.1 96.7 59.3 67 68 A F E -M 60 0C 33 -7,-2.6 -7,-2.2 -2,-0.4 2,-0.5 -0.963 16.4-152.2-110.2 111.4 58.6 96.1 55.7 68 69 A Y E - 0 0 145 -2,-0.6 -9,-0.2 -9,-0.2 -2,-0.0 -0.772 63.2 -21.9 -94.6 126.9 55.3 97.9 55.4 69 70 A R E S+ 0 0 116 -2,-0.5 -10,-0.2 27,-0.1 -1,-0.2 0.907 82.5 173.9 47.3 51.7 52.6 96.6 53.0 70 71 A I E +M 58 0C 17 -12,-2.8 -12,-1.9 -3,-0.4 2,-0.2 -0.444 33.3 65.1 -83.9 164.7 55.0 94.7 50.7 71 72 A G - 0 0 11 -14,-0.2 -14,-0.2 -2,-0.1 3,-0.1 -0.543 46.9-164.4 110.6 178.0 53.6 92.5 47.9 72 73 A Q + 0 0 109 1,-0.4 -15,-0.1 -16,-0.4 10,-0.1 0.105 57.3 82.2-161.8 -62.6 51.7 93.5 44.8 73 74 A R - 0 0 6 8,-0.3 -17,-2.7 -20,-0.1 -1,-0.4 -0.347 50.8-160.7 -65.3 140.5 50.0 90.6 43.0 74 75 A X S S+ 0 0 106 -19,-0.3 -1,-0.1 1,-0.2 -19,-0.1 0.355 84.1 27.3 -98.2 0.7 46.6 89.5 44.3 75 76 A S S > S- 0 0 37 -21,-0.1 3,-1.6 1,-0.1 -1,-0.2 -0.955 75.3-127.9-156.1 142.1 47.0 86.2 42.5 76 77 A P G > S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.868 105.9 73.0 -60.4 -24.2 50.1 84.1 41.5 77 78 A F G 3 + 0 0 38 1,-0.3 114,-0.0 2,-0.1 160,-0.0 0.383 69.0 85.5 -75.5 4.2 48.5 84.1 38.0 78 79 A E G < S- 0 0 90 -3,-1.6 -1,-0.3 2,-0.1 0, 0.0 0.670 93.4-138.5 -72.5 -18.4 49.3 87.8 37.4 79 80 A R < + 0 0 93 -3,-1.8 -2,-0.1 1,-0.3 78,-0.0 0.836 60.7 122.5 62.1 39.3 52.8 86.3 36.2 80 81 A I S S- 0 0 48 -4,-0.3 -1,-0.3 59,-0.0 -2,-0.1 -0.925 72.1 -85.6-125.9 147.2 54.8 89.0 38.0 81 82 A P - 0 0 22 0, 0.0 -8,-0.3 0, 0.0 41,-0.1 -0.227 42.3-119.8 -60.8 145.2 57.5 88.2 40.6 82 83 A A - 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