==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 27-FEB-06 2G74 . COMPND 2 MOLECULE: ISOPENTENYL-DIPHOSPHATE DELTA-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.DE RUYCK,J.WOUTERS . 356 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15323.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 22.5 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 . 16 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 19.1 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 0 3 1 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 5 2 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 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 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 0 104 0, 0.0 17,-2.1 0, 0.0 18,-0.3 0.000 360.0 360.0 360.0 150.0 4.8 -2.2 5.0 2 5 A H E -A 17 0A 46 15,-0.3 2,-0.3 64,-0.2 15,-0.2 -0.825 360.0-133.2-136.3 168.9 3.0 1.2 4.8 3 6 A V E -A 16 0A 0 13,-2.2 13,-1.7 -2,-0.3 2,-0.6 -0.916 30.1-122.0-119.3 154.2 2.4 4.5 6.4 4 7 A I E -A 15 0A 6 26,-0.4 26,-1.7 -2,-0.3 11,-0.2 -0.868 19.8-138.4-105.5 119.1 -1.1 6.0 6.8 5 8 A L E -AB 14 29A 16 9,-2.5 8,-2.3 -2,-0.6 9,-0.9 -0.507 18.7-155.0 -73.5 142.9 -1.8 9.4 5.2 6 9 A L E -A 12 0A 14 22,-1.8 4,-0.1 6,-0.3 22,-0.1 -0.967 4.6-139.4-126.2 133.6 -3.8 11.8 7.3 7 10 A N - 0 0 67 4,-2.7 -1,-0.0 -2,-0.4 6,-0.0 -0.013 53.3 -68.2 -74.3-169.4 -6.0 14.7 6.2 8 11 A A S S+ 0 0 104 2,-0.1 -2,-0.0 20,-0.0 -1,-0.0 0.954 133.3 41.6 -45.0 -66.5 -6.2 18.1 7.9 9 12 A Q S S- 0 0 149 1,-0.1 2,-0.8 2,-0.0 0, 0.0 -0.246 121.0 -90.4 -67.7 176.5 -7.9 16.5 10.9 10 13 A G S S+ 0 0 34 -4,-0.1 -2,-0.1 2,-0.1 -1,-0.1 0.019 78.1 141.2 -86.6 45.1 -6.2 13.2 11.7 11 14 A V - 0 0 73 -2,-0.8 -4,-2.7 1,-0.1 2,-0.2 -0.711 56.0-120.9 -82.9 126.5 -8.5 11.1 9.4 12 15 A P E +A 6 0A 71 0, 0.0 -6,-0.3 0, 0.0 3,-0.1 -0.441 35.8 171.5 -55.7 124.2 -6.8 8.4 7.5 13 16 A T E - 0 0 96 -8,-2.3 2,-0.3 1,-0.4 -7,-0.2 0.506 57.9 -44.3-114.3 -7.9 -7.3 9.0 3.7 14 17 A G E -A 5 0A 33 -9,-0.9 -9,-2.5 2,-0.0 -1,-0.4 -0.982 57.6 -95.3 165.9-173.8 -4.9 6.4 2.3 15 18 A T E -A 4 0A 62 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.931 15.0-162.2-136.7 160.1 -1.5 4.7 2.4 16 19 A L E -A 3 0A 60 -13,-1.7 -13,-2.2 -2,-0.3 5,-0.1 -0.960 41.4 -92.9-134.5 151.4 2.0 4.8 0.9 17 20 A E E > -A 2 0A 109 -2,-0.3 4,-1.0 -15,-0.2 -15,-0.3 -0.400 43.5-120.9 -61.2 143.5 4.8 2.2 0.9 18 21 A K H >> S+ 0 0 35 -17,-2.1 4,-0.7 2,-0.2 3,-0.6 0.925 107.1 42.0 -60.7 -48.0 6.9 3.0 3.9 19 22 A Y H >4 S+ 0 0 137 -18,-0.3 3,-1.3 1,-0.2 -1,-0.2 0.979 115.3 49.1 -63.8 -52.2 10.2 3.6 2.1 20 23 A A H 34 S+ 0 0 65 1,-0.2 -1,-0.2 3,-0.0 -2,-0.2 0.677 102.9 66.9 -57.0 -16.5 8.7 5.6 -0.7 21 24 A A H << S+ 0 0 7 -4,-1.0 2,-0.8 -3,-0.6 6,-0.5 0.757 85.2 72.9 -82.0 -24.3 6.8 7.8 1.8 22 25 A H << + 0 0 11 -3,-1.3 2,-0.2 -4,-0.7 -1,-0.1 -0.810 64.8 124.2-101.6 105.4 9.8 9.5 3.3 23 26 A T S > S- 0 0 55 -2,-0.8 87,-2.9 87,-0.2 3,-0.9 -0.593 79.9 -74.4-136.2-163.2 11.3 12.1 1.0 24 27 A A T 3 S+ 0 0 58 1,-0.2 87,-0.1 85,-0.2 85,-0.0 0.664 134.7 43.7 -77.3 -10.4 12.2 15.8 1.0 25 28 A D T 3 S+ 0 0 131 85,-0.1 -1,-0.2 -4,-0.0 84,-0.1 -0.150 82.7 175.8-121.3 35.3 8.4 16.3 0.7 26 29 A T < - 0 0 3 -3,-0.9 2,-0.2 1,-0.1 -4,-0.1 -0.151 23.2-136.2 -52.1 129.3 7.1 13.8 3.2 27 30 A R - 0 0 163 -6,-0.5 85,-0.3 1,-0.1 -1,-0.1 -0.555 33.7 -82.2 -89.2 150.6 3.3 14.1 3.6 28 31 A L + 0 0 28 -2,-0.2 -22,-1.8 -22,-0.1 2,-0.3 -0.262 63.2 160.1 -50.0 126.5 1.6 14.0 7.0 29 32 A H E -Bc 5 113A 1 83,-2.0 85,-2.0 -24,-0.3 2,-0.3 -0.892 40.2 -86.0-144.0 176.6 1.1 10.4 8.2 30 33 A L E + c 0 114A 34 -26,-1.7 -26,-0.4 -2,-0.3 2,-0.3 -0.616 50.6 150.3 -87.2 136.6 0.5 8.4 11.4 31 34 A A - 0 0 0 83,-2.7 2,-0.3 -2,-0.3 35,-0.3 -0.929 29.2-135.0-149.6 178.9 3.3 7.3 13.7 32 35 A F E -E 65 0B 1 33,-3.0 33,-2.0 -2,-0.3 2,-0.4 -0.976 4.2-155.0-135.5 161.6 4.2 6.4 17.3 33 36 A S E -Ef 64 117B 0 83,-2.0 85,-2.6 -2,-0.3 2,-0.4 -0.996 16.0-168.8-129.6 135.8 7.0 7.2 19.7 34 37 A S E -Ef 63 118B 0 29,-3.0 29,-2.2 -2,-0.4 2,-0.5 -0.981 15.6-159.0-134.0 143.8 7.9 5.0 22.7 35 38 A W E - f 0 119B 0 83,-1.8 85,-1.7 -2,-0.4 2,-0.4 -0.979 18.8-160.2-118.3 113.9 10.2 5.3 25.7 36 39 A L E - f 0 120B 0 -2,-0.5 8,-2.6 8,-0.4 2,-0.3 -0.838 8.9-175.5-104.3 135.0 11.2 1.9 27.3 37 40 A F E -Gf 43 121B 0 83,-2.1 85,-2.4 -2,-0.4 6,-0.2 -0.901 18.8-131.0-122.5 149.7 12.5 1.4 30.9 38 41 A N > - 0 0 26 4,-2.2 3,-2.3 -2,-0.3 85,-0.1 -0.385 40.6 -88.9 -92.6-176.3 13.8 -1.8 32.5 39 42 A A T 3 S+ 0 0 89 1,-0.3 -1,-0.1 83,-0.2 84,-0.0 0.795 129.4 57.9 -61.0 -26.4 12.7 -3.2 35.9 40 43 A K T 3 S- 0 0 176 2,-0.1 -1,-0.3 1,-0.0 136,-0.0 0.623 119.2-111.6 -79.9 -8.8 15.5 -1.1 37.4 41 44 A G < + 0 0 7 -3,-2.3 100,-0.5 1,-0.3 2,-0.3 0.595 67.5 146.0 89.2 9.0 14.0 2.1 36.0 42 45 A Q - 0 0 69 98,-0.1 -4,-2.2 134,-0.1 2,-0.4 -0.620 46.6-125.5 -77.3 142.4 16.8 2.7 33.5 43 46 A L E -GH 37 139B 0 96,-3.0 96,-2.4 -2,-0.3 2,-0.6 -0.755 13.0-136.5 -88.1 127.8 15.9 4.3 30.2 44 47 A L E - H 0 138B 0 -8,-2.6 18,-0.4 -2,-0.4 -8,-0.4 -0.771 22.1-173.9 -79.7 119.0 16.9 2.6 26.9 45 48 A V E - H 0 137B 0 92,-2.5 92,-2.5 -2,-0.6 2,-0.3 -0.925 9.7-163.4-109.5 138.7 18.3 5.1 24.5 46 49 A T E -IH 60 136B 5 14,-2.1 14,-3.4 -2,-0.4 2,-0.5 -0.836 17.7-136.5-124.4 164.0 19.0 3.8 21.0 47 50 A R E -IH 59 135B 6 88,-3.1 87,-2.2 -2,-0.3 88,-0.9 -0.971 29.8-122.7-118.6 124.3 21.0 4.9 17.9 48 51 A R E - H 0 133B 38 10,-2.5 9,-1.6 -2,-0.5 85,-0.3 -0.394 34.5-100.0 -69.7 142.2 19.3 4.5 14.6 49 52 A A > - 0 0 4 83,-2.4 3,-1.5 7,-0.2 8,-0.7 -0.118 27.2-115.2 -56.3 155.9 21.2 2.3 12.0 50 53 A L T 3 S+ 0 0 71 1,-0.3 -1,-0.1 6,-0.2 -2,-0.1 0.675 114.5 62.1 -67.7 -13.0 23.2 4.1 9.3 51 54 A S T 3 S+ 0 0 77 80,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.546 71.7 116.5 -90.7 -4.6 20.7 2.6 6.8 52 55 A K < - 0 0 34 -3,-1.5 80,-0.1 1,-0.2 3,-0.0 -0.351 65.2-138.8 -59.8 136.2 17.6 4.3 8.1 53 56 A K S S+ 0 0 53 1,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.924 88.7 45.9 -63.2 -37.5 16.2 6.5 5.4 54 57 A A S S- 0 0 5 1,-0.2 -1,-0.1 54,-0.0 56,-0.1 -0.920 129.2 -10.8-113.9 130.7 15.4 9.3 8.0 55 58 A W S > S- 0 0 14 -2,-0.4 3,-1.3 54,-0.2 -1,-0.2 0.883 79.0-167.8 46.2 52.6 17.9 10.4 10.7 56 59 A P T 3 + 0 0 10 0, 0.0 -6,-0.2 0, 0.0 -7,-0.2 -0.409 69.2 14.9 -63.0 148.0 20.3 7.6 10.2 57 60 A G T 3 S+ 0 0 2 -9,-1.6 2,-0.4 -8,-0.7 -8,-0.1 0.613 94.3 138.9 66.1 20.2 22.9 7.3 13.0 58 61 A V < - 0 0 12 -3,-1.3 -10,-2.5 -9,-0.2 2,-0.3 -0.762 55.0-123.6-102.5 138.3 21.0 9.6 15.3 59 62 A W E +Ij 47 155B 16 95,-0.5 97,-2.1 -2,-0.4 -12,-0.3 -0.633 48.5 150.6 -78.2 139.3 20.6 9.0 19.0 60 63 A T E -I 46 0B 3 -14,-3.4 -14,-2.1 -2,-0.3 4,-0.0 -0.854 45.1 -59.1-155.5-177.7 16.9 8.8 20.0 61 64 A N - 0 0 1 -2,-0.2 -26,-0.2 -16,-0.2 -16,-0.1 -0.222 69.1 -82.9 -73.9 175.4 14.3 7.4 22.3 62 65 A S S S- 0 0 0 -18,-0.4 2,-0.3 1,-0.1 -27,-0.2 0.837 97.8 -7.2 -53.1 -53.3 13.8 3.7 22.6 63 66 A V E +E 34 0B 2 -29,-2.2 -29,-3.0 -17,-0.0 2,-0.3 -0.998 56.1 178.9-153.6 141.1 11.5 2.8 19.7 64 67 A C E +E 33 0B 21 -2,-0.3 2,-0.3 -31,-0.2 -31,-0.2 -0.972 17.7 138.9-138.4 151.1 9.5 4.6 17.0 65 68 A G E -E 32 0B 8 -33,-2.0 -33,-3.0 -2,-0.3 12,-0.1 -0.953 45.7 -86.5-171.2-166.2 7.4 3.5 14.1 66 69 A H - 0 0 17 -2,-0.3 -35,-0.2 -35,-0.3 -64,-0.2 -0.967 34.4-132.9-127.4 111.1 4.3 3.7 11.9 67 70 A P - 0 0 0 0, 0.0 -63,-0.3 0, 0.0 2,-0.2 -0.357 26.2-132.4 -60.5 143.8 1.0 1.9 12.8 68 71 A Q > - 0 0 30 4,-0.2 3,-2.3 1,-0.2 8,-0.1 -0.512 42.0 -63.6 -91.7 171.0 -0.4 -0.0 9.9 69 72 A L T 3 S+ 0 0 107 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 -0.257 124.5 4.8 -49.8 122.5 -4.1 0.1 8.8 70 73 A G T 3 S+ 0 0 90 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.490 99.9 126.1 83.3 -1.2 -6.3 -1.2 11.5 71 74 A E < - 0 0 42 -3,-2.3 -1,-0.3 1,-0.0 2,-0.1 -0.743 58.9-126.4 -91.6 132.3 -3.4 -1.6 14.0 72 75 A S > - 0 0 44 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.407 20.5-118.5 -73.3 160.2 -3.7 0.0 17.4 73 76 A N H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.952 115.7 54.8 -57.6 -47.2 -0.9 2.3 18.6 74 77 A E H > S+ 0 0 79 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.892 109.6 47.0 -55.3 -43.2 -0.2 0.0 21.5 75 78 A D H > S+ 0 0 87 2,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.845 108.0 54.5 -68.9 -37.3 0.2 -2.9 19.1 76 79 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.901 109.1 50.3 -64.4 -34.5 2.4 -1.1 16.8 77 80 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.956 111.8 46.1 -65.8 -47.4 4.6 -0.3 19.8 78 81 A I H X S+ 0 0 44 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.899 113.3 51.3 -58.9 -44.1 4.7 -4.0 20.8 79 82 A R H X S+ 0 0 65 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.901 112.5 42.8 -60.6 -49.0 5.4 -5.0 17.2 80 83 A R H X>S+ 0 0 6 -4,-2.7 4,-3.1 2,-0.2 5,-0.6 0.815 109.9 57.6 -76.4 -22.1 8.3 -2.6 16.7 81 84 A C H X5S+ 0 0 0 -4,-2.0 6,-1.6 -5,-0.2 4,-1.5 0.937 113.3 40.7 -68.3 -40.5 9.8 -3.4 20.1 82 85 A R H X5S+ 0 0 132 -4,-2.0 4,-1.4 4,-0.3 -2,-0.2 0.908 120.0 45.3 -69.8 -41.3 9.8 -7.0 19.0 83 86 A Y H <5S+ 0 0 111 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.929 124.3 28.5 -72.5 -44.2 11.0 -6.2 15.5 84 87 A E H <5S+ 0 0 14 -4,-3.1 45,-2.5 -5,-0.2 49,-0.2 0.842 140.0 18.0 -84.4 -31.2 13.8 -3.6 16.3 85 88 A L H < +K 117 0B 39 21,-1.6 21,-1.9 75,-0.1 3,-1.1 -0.489 66.5 170.0-163.9 77.0 2.0 12.5 25.2 97 100 A P T 3 S+ 0 0 72 0, 0.0 21,-0.0 0, 0.0 -3,-0.0 0.730 74.7 49.5 -71.8 -23.3 -1.0 11.6 23.1 98 101 A D T 3 S+ 0 0 129 17,-0.1 2,-0.2 18,-0.1 17,-0.0 0.183 75.3 138.3-104.0 16.8 -1.3 14.8 21.1 99 102 A F < + 0 0 0 -3,-1.1 16,-2.9 16,-0.1 2,-0.3 -0.476 21.4 163.0 -68.6 134.6 2.3 15.0 20.0 100 103 A R E +D 114 0A 122 14,-0.3 2,-0.3 -2,-0.2 14,-0.2 -0.984 5.2 160.2-144.2 147.7 2.7 16.1 16.3 101 104 A F E -D 113 0A 6 12,-2.8 12,-2.7 -2,-0.3 2,-0.4 -0.999 28.8-150.9-166.6 163.7 5.7 17.4 14.4 102 105 A R E +D 112 0A 133 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.991 28.5 160.3-136.9 133.8 7.5 18.0 11.1 103 106 A A E -D 111 0A 18 8,-2.5 8,-2.5 -2,-0.4 2,-0.4 -0.972 31.1-131.5-151.7 162.8 11.3 18.1 10.8 104 107 A T E -D 110 0A 80 -2,-0.3 6,-0.2 6,-0.2 -80,-0.1 -0.966 20.6-141.7-119.3 127.3 14.1 17.8 8.2 105 108 A D > - 0 0 7 4,-3.7 3,-2.4 -2,-0.4 -51,-0.0 -0.273 38.1 -90.0 -82.1 172.6 17.1 15.5 8.7 106 109 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 -52,-0.0 0.791 128.2 49.2 -56.7 -27.0 20.6 16.5 7.6 107 110 A S T 3 S- 0 0 90 2,-0.1 3,-0.1 0, 0.0 -83,-0.0 0.489 125.3-101.4 -90.5 1.8 20.2 15.0 4.1 108 111 A G S < S+ 0 0 23 -3,-2.4 2,-0.4 1,-0.3 -54,-0.0 0.541 73.7 146.1 92.4 10.2 16.9 16.8 3.7 109 112 A I - 0 0 26 -56,-0.1 -4,-3.7 -84,-0.1 2,-0.3 -0.670 37.0-146.6 -80.2 132.9 14.7 13.8 4.5 110 113 A V E - D 0 104A 2 -87,-2.9 2,-0.5 -2,-0.4 -6,-0.2 -0.753 15.6-158.9-101.6 142.7 11.5 14.9 6.3 111 114 A E E + D 0 103A 13 -8,-2.5 -8,-2.5 -2,-0.3 2,-0.4 -0.984 14.9 176.7-109.9 137.5 9.4 13.3 8.9 112 115 A N E + D 0 102A 17 -2,-0.5 -83,-2.0 -85,-0.3 2,-0.3 -0.880 23.2 153.1-142.9 98.2 5.9 14.7 9.1 113 116 A E E -cD 29 101A 14 -12,-2.7 -12,-2.8 -2,-0.4 2,-0.6 -0.948 56.4-137.6-142.1 147.3 3.7 12.9 11.6 114 117 A V E +cD 30 100A 42 -85,-2.0 -83,-2.7 -2,-0.3 -14,-0.3 -0.937 46.7 178.8 -88.5 120.4 0.9 12.7 14.1 115 118 A C - 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