==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 28-MAR-03 1OW2 . COMPND 2 MOLECULE: ISOPENTENYL-DIPHOSPHATE DELTA-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.WOUTERS . 356 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15483.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 22.2 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 . 6 1.7 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 . 22 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 1 1 1 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 6 1 5 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 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 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 4 A E 0 0 106 0, 0.0 17,-2.9 0, 0.0 18,-0.3 0.000 360.0 360.0 360.0 126.2 4.7 -2.0 4.8 2 5 A H E -A 17 0A 44 15,-0.3 2,-0.3 64,-0.2 15,-0.3 -0.831 360.0-130.6-131.9 166.7 3.0 1.3 4.4 3 6 A V E -A 16 0A 0 13,-2.7 13,-1.9 -2,-0.3 2,-0.6 -0.910 32.2-121.6-111.8 152.0 2.5 4.7 6.2 4 7 A I E -A 15 0A 7 -2,-0.3 26,-2.0 63,-0.3 11,-0.3 -0.851 21.5-133.8-100.9 118.0 -1.1 6.0 6.6 5 8 A L E -AB 14 29A 15 9,-2.3 8,-2.1 -2,-0.6 9,-0.9 -0.490 22.4-158.5 -71.5 133.7 -1.7 9.3 5.0 6 9 A L E -A 12 0A 15 22,-1.8 4,-0.1 6,-0.2 22,-0.1 -0.865 6.0-140.6-112.5 146.4 -3.6 11.7 7.2 7 10 A N - 0 0 66 4,-1.6 6,-0.0 -2,-0.4 -1,-0.0 -0.202 53.6 -67.2 -87.7-171.4 -5.6 14.8 6.2 8 11 A A S S+ 0 0 108 2,-0.1 2,-0.1 -2,-0.1 -2,-0.0 0.917 133.3 39.1 -48.8 -57.6 -5.6 18.1 8.2 9 12 A Q S S- 0 0 160 1,-0.1 2,-1.3 2,-0.1 -2,-0.3 -0.434 120.3 -90.2 -77.5 173.2 -7.4 16.4 11.1 10 13 A G S S+ 0 0 43 -4,-0.1 -2,-0.1 -2,-0.1 -1,-0.1 0.021 78.2 138.7 -82.1 44.3 -5.9 12.9 11.6 11 14 A V - 0 0 82 -2,-1.3 -4,-1.6 2,-0.0 -2,-0.1 -0.743 56.2-121.7 -85.7 123.4 -8.4 11.1 9.3 12 15 A P E +A 6 0A 70 0, 0.0 -6,-0.2 0, 0.0 3,-0.1 -0.296 35.1 171.0 -55.6 143.7 -6.7 8.5 7.2 13 16 A T E - 0 0 97 -8,-2.1 2,-0.3 1,-0.4 -7,-0.1 0.329 59.7 -42.6-129.9 -8.2 -7.2 9.1 3.4 14 17 A G E -A 5 0A 32 -9,-0.9 -9,-2.3 2,-0.0 -1,-0.4 -0.988 57.4 -95.3 167.7-169.7 -4.9 6.5 2.0 15 18 A T E -A 4 0A 62 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.2 -0.966 13.0-163.7-140.4 157.6 -1.5 4.8 2.1 16 19 A L E -A 3 0A 53 -13,-1.9 -13,-2.7 -2,-0.3 5,-0.1 -0.984 40.7 -98.1-131.8 145.3 2.1 4.8 0.7 17 20 A E E > -A 2 0A 101 -2,-0.3 4,-0.9 -15,-0.3 -15,-0.3 -0.392 41.2-120.2 -56.8 138.8 4.7 2.1 0.8 18 21 A K H >> S+ 0 0 28 -17,-2.9 3,-0.7 1,-0.2 4,-0.7 0.878 108.4 49.1 -57.4 -40.0 7.0 3.0 3.7 19 22 A Y H >4 S+ 0 0 141 -18,-0.3 3,-1.0 1,-0.2 -1,-0.2 0.963 113.6 44.8 -68.7 -44.8 10.1 3.3 1.7 20 23 A A H 34 S+ 0 0 74 1,-0.2 -1,-0.2 3,-0.0 -2,-0.2 0.564 105.5 68.0 -67.2 -10.2 8.6 5.5 -1.1 21 24 A A H << S+ 0 0 5 -4,-0.9 2,-0.8 -3,-0.7 6,-0.4 0.676 84.3 70.1 -88.5 -23.5 6.9 7.6 1.6 22 25 A H << + 0 0 8 -3,-1.0 2,-0.2 -4,-0.7 -1,-0.1 -0.859 66.9 126.6-108.2 103.4 10.0 9.3 3.2 23 26 A T S > S- 0 0 53 -2,-0.8 87,-3.1 87,-0.2 3,-1.1 -0.641 80.0 -77.5-133.8-173.8 11.5 11.8 0.8 24 27 A A T 3 S+ 0 0 57 85,-0.3 87,-0.1 1,-0.2 -2,-0.0 0.725 134.6 43.7 -66.8 -16.7 12.5 15.4 0.7 25 28 A D T 3 S+ 0 0 126 85,-0.1 -1,-0.2 2,-0.0 84,-0.1 -0.121 81.9 173.2-120.4 35.2 8.7 16.0 0.4 26 29 A T < - 0 0 3 -3,-1.1 2,-0.1 1,-0.1 -4,-0.1 -0.158 23.7-136.9 -52.6 128.7 7.2 13.6 2.9 27 30 A R - 0 0 160 -6,-0.4 85,-0.3 1,-0.1 -1,-0.1 -0.471 33.2 -80.8 -89.4 157.6 3.5 14.0 3.4 28 31 A L + 0 0 38 -22,-0.1 -22,-1.8 -2,-0.1 2,-0.3 -0.275 64.1 155.9 -57.2 133.2 1.7 14.0 6.7 29 32 A H E -Bc 5 113A 2 83,-1.8 85,-2.3 -24,-0.3 -24,-0.2 -0.957 42.4 -75.9-154.0 174.4 1.1 10.4 8.0 30 33 A L E + c 0 114A 32 -26,-2.0 -26,-0.3 -2,-0.3 2,-0.3 -0.464 52.7 151.6 -76.1 147.0 0.5 8.3 11.1 31 34 A A - 0 0 0 83,-1.5 2,-0.3 35,-0.2 35,-0.2 -0.925 25.8-148.9-156.4 175.8 3.3 7.4 13.5 32 35 A F E -E 65 0B 0 33,-1.9 33,-1.9 -2,-0.3 2,-0.3 -0.959 1.7-160.8-146.6 162.3 4.2 6.5 17.1 33 36 A S E -Ef 64 117B 2 83,-1.6 85,-2.7 -2,-0.3 2,-0.3 -0.989 12.3-168.0-140.7 139.4 7.1 7.0 19.5 34 37 A S E -Ef 63 118B 0 29,-3.5 29,-1.8 -2,-0.3 2,-0.5 -0.958 15.1-148.0-132.2 152.2 7.8 5.0 22.6 35 38 A W E - f 0 119B 0 83,-2.4 85,-2.0 -2,-0.3 2,-0.5 -0.965 20.1-158.8-115.7 117.4 10.1 5.3 25.6 36 39 A L E - f 0 120B 0 -2,-0.5 8,-2.8 8,-0.5 2,-0.3 -0.824 11.3-179.8-106.6 134.5 11.3 2.0 27.2 37 40 A F E -Gf 43 121B 0 83,-2.2 85,-2.3 -2,-0.5 6,-0.2 -0.857 23.8-123.1-117.0 155.5 12.6 1.5 30.7 38 41 A N > - 0 0 25 4,-2.1 3,-2.3 -2,-0.3 85,-0.1 -0.463 37.1 -93.6 -92.4 179.1 13.8 -1.7 32.3 39 42 A A T 3 S+ 0 0 86 1,-0.3 -1,-0.1 83,-0.2 84,-0.0 0.833 131.4 55.2 -54.0 -35.5 12.5 -3.2 35.5 40 43 A K T 3 S- 0 0 182 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.665 121.9-114.9 -73.4 -13.9 15.3 -1.4 37.2 41 44 A G < + 0 0 14 -3,-2.3 100,-0.4 1,-0.3 2,-0.2 0.593 62.5 150.2 91.5 12.9 13.8 1.7 35.7 42 45 A Q - 0 0 68 98,-0.1 -4,-2.1 99,-0.1 2,-0.3 -0.573 46.6-120.5 -74.3 141.8 16.7 2.6 33.4 43 46 A L E -GH 37 139B 0 96,-2.4 96,-3.0 -6,-0.2 2,-0.6 -0.664 18.9-137.7 -79.3 134.9 15.9 4.5 30.2 44 47 A L E - H 0 138B 0 -8,-2.8 -8,-0.5 -2,-0.3 2,-0.4 -0.849 21.0-173.7 -93.0 116.8 16.8 2.8 26.9 45 48 A V E - H 0 137B 0 92,-2.9 92,-2.4 -2,-0.6 2,-0.3 -0.886 7.4-161.4-109.7 140.4 18.3 5.1 24.3 46 49 A T E -IH 60 136B 4 14,-1.7 14,-3.6 -2,-0.4 2,-0.5 -0.863 16.4-139.5-122.7 155.7 19.1 3.9 20.8 47 50 A R E -IH 59 135B 5 88,-3.4 87,-2.8 -2,-0.3 88,-1.3 -0.978 31.2-123.0-114.0 120.8 21.2 5.0 17.9 48 51 A R E - H 0 133B 48 10,-2.4 9,-1.4 -2,-0.5 85,-0.3 -0.307 33.8-101.9 -63.6 140.3 19.5 4.5 14.5 49 52 A A > - 0 0 4 83,-2.0 3,-1.4 7,-0.2 8,-0.8 -0.136 27.0-111.7 -65.2 161.7 21.4 2.4 12.0 50 53 A L T 3 S+ 0 0 72 1,-0.3 -1,-0.1 6,-0.3 81,-0.1 0.650 115.3 58.6 -67.9 -12.8 23.4 4.0 9.2 51 54 A S T 3 S+ 0 0 74 80,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.525 72.8 118.7 -97.9 -2.9 20.9 2.6 6.7 52 55 A K < - 0 0 36 -3,-1.4 3,-0.1 1,-0.2 80,-0.1 -0.372 64.1-138.1 -59.3 142.7 17.8 4.2 8.1 53 56 A K S S+ 0 0 70 1,-0.2 2,-0.4 2,-0.1 -1,-0.2 0.808 89.2 47.0 -75.6 -25.0 16.3 6.5 5.4 54 57 A A S S- 0 0 6 1,-0.2 -1,-0.2 54,-0.0 56,-0.1 -0.962 129.2 -13.5-123.6 129.4 15.6 9.2 8.0 55 58 A W S > S- 0 0 19 -2,-0.4 3,-1.3 54,-0.2 -7,-0.2 0.918 79.0-164.5 47.0 54.3 18.1 10.4 10.6 56 59 A P T 3 + 0 0 10 0, 0.0 -6,-0.3 0, 0.0 -7,-0.2 -0.403 69.5 14.2 -63.2 145.3 20.5 7.5 10.1 57 60 A G T 3 S+ 0 0 1 -9,-1.4 2,-0.4 -8,-0.8 -8,-0.1 0.692 94.1 141.1 65.4 24.7 23.1 7.1 12.9 58 61 A V < - 0 0 11 -3,-1.3 -10,-2.4 -9,-0.2 2,-0.3 -0.817 53.9-124.2-103.7 138.3 21.2 9.4 15.3 59 62 A W E +I 47 0B 15 95,-0.5 97,-2.2 -2,-0.4 -12,-0.3 -0.559 49.9 147.8 -71.9 134.2 20.8 8.9 19.0 60 63 A T E -I 46 0B 15 -14,-3.6 -14,-1.7 -2,-0.3 2,-0.0 -0.802 46.8 -59.6-153.4-172.5 17.1 8.9 19.9 61 64 A N - 0 0 4 -2,-0.2 -26,-0.1 -16,-0.2 -16,-0.1 -0.262 67.9 -82.9 -79.9 177.7 14.4 7.5 22.2 62 65 A S S S- 0 0 0 -18,-0.4 2,-0.3 1,-0.1 -27,-0.2 0.859 94.8 -11.9 -53.0 -55.6 13.8 3.7 22.5 63 66 A V E +E 34 0B 2 -29,-1.8 -29,-3.5 -17,-0.0 2,-0.3 -0.997 55.6 171.2-155.9 140.7 11.5 2.9 19.6 64 67 A A E +E 33 0B 30 -2,-0.3 2,-0.3 -31,-0.3 -31,-0.2 -0.957 15.4 138.0-145.1 155.4 9.4 4.7 17.0 65 68 A G E -E 32 0B 8 -33,-1.9 -33,-1.9 -2,-0.3 12,-0.1 -0.929 47.3 -75.7-171.5-159.7 7.5 3.5 13.9 66 69 A H - 0 0 17 -2,-0.3 -35,-0.2 -35,-0.2 -64,-0.2 -0.938 36.3-133.3-127.9 109.7 4.3 3.7 11.7 67 70 A P - 0 0 0 0, 0.0 -63,-0.3 0, 0.0 2,-0.1 -0.223 26.5-131.2 -54.0 142.2 1.1 2.0 12.6 68 71 A Q > - 0 0 31 4,-0.2 3,-2.3 1,-0.2 8,-0.1 -0.501 42.7 -59.7 -92.1 170.3 -0.4 -0.0 9.7 69 72 A L T 3 S+ 0 0 96 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.218 124.4 3.3 -49.5 129.9 -4.0 0.1 8.5 70 73 A G T 3 S+ 0 0 88 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.567 99.7 133.6 68.0 13.2 -6.4 -1.0 11.3 71 74 A E < - 0 0 44 -3,-2.3 -1,-0.2 1,-0.0 5,-0.1 -0.811 55.8-126.9-102.0 127.9 -3.6 -1.3 13.8 72 75 A S > - 0 0 49 -2,-0.5 4,-1.9 1,-0.1 -4,-0.2 -0.200 22.8-120.3 -57.9 155.2 -3.9 0.1 17.3 73 76 A N H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.974 114.2 54.0 -64.9 -46.3 -1.0 2.4 18.3 74 77 A E H > S+ 0 0 79 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.883 107.7 50.7 -52.9 -39.1 -0.1 0.1 21.2 75 78 A D H > S+ 0 0 89 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.895 107.3 54.1 -68.0 -36.3 0.1 -2.8 18.8 76 79 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.868 108.6 49.0 -60.6 -39.5 2.4 -0.8 16.6 77 80 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.907 112.5 47.4 -66.2 -44.7 4.7 -0.1 19.6 78 81 A I H X S+ 0 0 41 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.912 112.4 50.4 -64.1 -45.6 4.7 -3.8 20.5 79 82 A R H X S+ 0 0 68 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.928 113.8 43.0 -57.8 -49.8 5.4 -4.8 16.9 80 83 A R H X>S+ 0 0 7 -4,-2.3 4,-3.2 1,-0.2 5,-0.7 0.846 109.1 59.1 -74.5 -26.0 8.3 -2.4 16.4 81 84 A C H X5S+ 0 0 0 -4,-1.9 6,-2.1 -5,-0.2 4,-1.2 0.918 112.3 39.7 -65.1 -37.5 9.7 -3.3 19.8 82 85 A R H X5S+ 0 0 130 -4,-1.7 4,-1.3 4,-0.3 -2,-0.2 0.892 119.6 47.4 -74.5 -40.7 10.0 -6.9 18.7 83 86 A Y H <5S+ 0 0 113 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.890 123.8 26.8 -72.9 -43.0 11.1 -6.0 15.3 84 87 A E H <5S+ 0 0 12 -4,-3.2 45,-2.6 -5,-0.2 49,-0.2 0.871 140.8 18.1 -88.4 -37.6 13.8 -3.4 16.1 85 88 A L H < +J 117 0B 33 21,-1.6 21,-2.0 72,-0.1 3,-0.9 -0.594 64.1 168.5-153.6 77.9 2.1 12.5 24.7 97 100 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 21,-0.0 0.824 77.3 49.4 -63.9 -32.5 -1.1 11.7 22.8 98 101 A D T 3 S+ 0 0 111 18,-0.1 17,-0.1 16,-0.1 2,-0.1 0.460 75.4 135.8 -94.2 1.9 -1.2 15.0 20.9 99 102 A F < + 0 0 2 -3,-0.9 16,-3.8 16,-0.2 2,-0.3 -0.223 22.0 163.5 -57.7 125.5 2.4 15.0 19.6 100 103 A R E +D 114 0A 166 14,-0.3 2,-0.3 -2,-0.1 14,-0.3 -0.996 8.0 162.8-139.7 141.0 2.7 16.0 15.9 101 104 A Y E -D 113 0A 57 12,-3.4 12,-3.6 -2,-0.3 2,-0.4 -0.993 27.7-157.9-165.7 154.5 5.8 17.2 14.1 102 105 A R E +D 112 0A 119 -2,-0.3 2,-0.3 10,-0.3 10,-0.2 -0.995 26.7 154.7-128.4 133.4 7.7 17.9 10.9 103 106 A A E -D 111 0A 16 8,-2.4 8,-2.2 -2,-0.4 2,-0.4 -0.989 33.1-129.0-155.4 168.3 11.5 18.0 10.5 104 107 A T E -D 110 0A 75 -2,-0.3 6,-0.2 6,-0.2 -80,-0.1 -0.980 21.4-139.0-123.8 132.3 14.3 17.6 7.9 105 108 A D > - 0 0 7 4,-2.6 3,-2.7 -2,-0.4 -51,-0.0 -0.304 37.5 -92.0 -86.8 170.1 17.4 15.4 8.5 106 109 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -52,-0.0 0.704 127.4 51.7 -59.7 -17.6 20.9 16.4 7.5 107 110 A S T 3 S- 0 0 81 2,-0.1 3,-0.1 0, 0.0 -83,-0.1 0.440 123.0-104.1 -96.3 2.9 20.5 14.7 4.1 108 111 A G S < S+ 0 0 26 -3,-2.7 2,-0.3 1,-0.3 -54,-0.0 0.482 72.8 142.7 91.3 4.9 17.3 16.5 3.4 109 112 A I - 0 0 22 -56,-0.1 -4,-2.6 -84,-0.1 2,-0.4 -0.623 39.5-144.1 -79.2 136.1 14.9 13.6 4.1 110 113 A V E - D 0 104A 3 -87,-3.1 2,-0.5 -2,-0.3 -87,-0.2 -0.765 15.5-162.6-103.8 142.8 11.7 14.7 5.9 111 114 A E E + D 0 103A 16 -8,-2.2 -8,-2.4 -2,-0.4 2,-0.4 -0.982 11.9 179.8-112.4 135.8 9.6 13.1 8.5 112 115 A N E + D 0 102A 27 -2,-0.5 -83,-1.8 -85,-0.3 2,-0.4 -0.884 22.1 161.8-137.8 98.8 6.1 14.6 8.8 113 116 A E E -cD 29 101A 12 -12,-3.6 -12,-3.4 -2,-0.4 2,-0.6 -0.934 52.2-145.5-143.4 140.4 4.0 12.9 11.4 114 117 A V E -cD 30 100A 37 -85,-2.3 -83,-1.5 -2,-0.4 -14,-0.3 -0.915 44.9-176.6 -85.3 120.4 1.1 12.8 13.8 115 118 A C - 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