==== 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 25-APR-07 2PNY . COMPND 2 MOLECULE: ISOPENTENYL-DIPHOSPHATE DELTA-ISOMERASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.WALKER,T.DAVIS,C.BUTLER-COLE,J.WEIGELT,M.SUNDSTROM, . 233 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11246.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 17.6 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 . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 19.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 4 0 1 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 0 0 0 0 0 1 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 0 1 0 1 1 0 0 0 1 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 0 0 0 0 0 0 0 1 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 -5 A L 0 0 228 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.8 37.6 11.3 33.9 2 -4 A V - 0 0 64 1,-0.0 2,-0.2 2,-0.0 47,-0.0 -0.774 360.0-127.5 -92.1 124.7 36.2 14.7 33.2 3 -3 A P - 0 0 111 0, 0.0 2,-0.5 0, 0.0 3,-0.1 -0.509 19.6-160.8 -71.1 139.8 36.5 17.1 36.1 4 -2 A R - 0 0 121 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 -0.951 10.6-171.3-123.7 109.7 33.1 18.8 37.0 5 -1 A G S S- 0 0 76 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.908 74.1 -27.3 -66.2 -39.3 33.5 21.9 39.1 6 0 A S > - 0 0 60 -3,-0.1 3,-1.6 1,-0.0 -1,-0.2 -0.967 69.7 -88.5-161.4 175.7 29.8 22.0 39.6 7 1 A M G > S+ 0 0 149 -2,-0.3 3,-1.4 1,-0.3 4,-0.4 0.607 109.6 84.2 -73.9 -9.8 26.5 20.9 38.0 8 2 A S G > S+ 0 0 77 1,-0.2 3,-1.0 2,-0.2 -1,-0.3 0.764 75.5 73.9 -56.1 -25.9 26.5 24.3 36.2 9 3 A D G < S+ 0 0 5 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.800 97.0 46.4 -54.5 -31.6 28.8 22.4 33.6 10 4 A I G < S+ 0 0 104 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.2 0.546 85.3 126.3 -95.2 -4.2 25.7 20.6 32.4 11 5 A N < + 0 0 64 -3,-1.0 3,-0.0 -4,-0.4 -3,-0.0 -0.272 20.9 162.0 -55.3 125.3 23.4 23.7 32.1 12 6 A L > + 0 0 22 3,-0.1 3,-1.6 1,-0.0 -1,-0.1 -0.242 25.7 136.8-129.8 43.9 21.6 24.4 28.8 13 7 A D T 3 + 0 0 129 1,-0.3 -2,-0.0 0, 0.0 -1,-0.0 0.782 68.0 56.5 -68.9 -22.5 19.0 26.8 30.2 14 8 A W T 3 S+ 0 0 70 67,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.607 90.9 91.0 -78.7 -11.2 19.4 29.2 27.3 15 9 A V S < S- 0 0 12 -3,-1.6 65,-0.1 1,-0.1 64,-0.1 -0.670 72.7-133.2 -92.4 139.1 18.6 26.5 24.7 16 10 A D > - 0 0 47 63,-0.7 4,-2.4 -2,-0.3 5,-0.2 -0.344 29.3 -99.6 -87.6 173.0 15.0 25.9 23.5 17 11 A R H > S+ 0 0 216 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.847 119.8 54.1 -62.9 -36.0 13.3 22.5 23.2 18 12 A R H > S+ 0 0 128 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.923 110.7 45.0 -64.2 -46.1 13.9 22.2 19.5 19 13 A Q H > S+ 0 0 2 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.858 111.7 53.6 -67.8 -35.1 17.6 22.8 19.7 20 14 A L H >< S+ 0 0 58 -4,-2.4 3,-0.9 1,-0.2 4,-0.2 0.899 107.6 50.6 -61.0 -42.2 17.8 20.4 22.6 21 15 A Q H >< S+ 0 0 146 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.884 103.5 60.1 -63.3 -36.5 16.1 17.7 20.5 22 16 A R H >< S+ 0 0 25 -4,-1.7 3,-2.1 1,-0.3 20,-0.3 0.677 83.4 80.9 -68.6 -15.6 18.6 18.3 17.7 23 17 A L T << S+ 0 0 1 -3,-0.9 20,-2.4 -4,-0.6 19,-0.3 0.710 86.8 60.0 -62.2 -19.3 21.4 17.3 20.0 24 18 A E T < S+ 0 0 107 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.491 74.8 121.5 -88.5 -1.6 20.5 13.7 19.2 25 19 A E < - 0 0 37 -3,-2.1 17,-1.8 1,-0.1 2,-0.7 -0.318 67.3-122.1 -58.5 141.3 21.1 14.0 15.4 26 20 A M E -A 41 0A 77 15,-0.2 71,-2.7 16,-0.1 15,-0.2 -0.833 33.1-165.7 -92.7 117.0 23.7 11.5 14.2 27 21 A L E -AB 40 96A 0 13,-3.1 13,-1.2 -2,-0.7 2,-0.7 -0.395 26.5 -99.8 -97.7 171.1 26.6 13.2 12.6 28 22 A I E -A 39 0A 0 67,-0.8 30,-2.5 30,-0.4 2,-0.4 -0.856 32.7-151.4-100.7 115.0 29.4 11.8 10.4 29 23 A V E +AC 38 57A 14 9,-2.7 8,-3.1 -2,-0.7 9,-1.5 -0.724 23.0 177.5 -86.8 134.2 32.7 11.3 12.3 30 24 A V E -A 36 0A 3 26,-2.2 26,-0.3 -2,-0.4 6,-0.2 -0.869 27.1-118.9-133.4 163.0 35.8 11.6 10.2 31 25 A D > - 0 0 54 4,-2.0 3,-2.1 -2,-0.3 6,-0.0 -0.303 51.0 -84.2 -89.6-176.1 39.5 11.6 10.5 32 26 A E T 3 S+ 0 0 118 1,-0.3 -1,-0.0 2,-0.1 109,-0.0 0.624 130.1 54.1 -68.1 -14.2 41.9 14.5 9.5 33 27 A N T 3 S- 0 0 105 2,-0.1 -1,-0.3 122,-0.0 122,-0.0 0.172 121.3-105.8-103.0 15.1 41.8 13.4 5.9 34 28 A D < + 0 0 15 -3,-2.1 2,-0.5 1,-0.2 -2,-0.1 0.736 69.3 148.8 70.9 25.7 38.0 13.5 5.8 35 29 A K - 0 0 124 1,-0.0 -4,-2.0 2,-0.0 2,-0.3 -0.803 52.6-113.6 -92.4 131.7 37.6 9.7 5.8 36 30 A V E +A 30 0A 49 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.430 40.9 166.6 -63.5 124.1 34.4 8.5 7.5 37 31 A I E - 0 0 113 -8,-3.1 2,-0.3 1,-0.3 -7,-0.2 0.631 57.3 -58.4-115.4 -15.1 35.2 6.5 10.6 38 32 A G E -A 29 0A 21 -9,-1.5 -9,-2.7 2,-0.0 -1,-0.3 -0.983 54.0 -74.6 171.3-160.7 31.7 6.4 12.2 39 33 A A E +A 28 0A 43 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.923 37.9 163.7-124.0 149.3 28.7 8.2 13.6 40 34 A D E -A 27 0A 44 -13,-1.2 -13,-3.1 -2,-0.3 57,-0.1 -0.966 39.2 -84.6-158.2 165.1 28.1 10.1 16.8 41 35 A T E > -A 26 0A 19 -2,-0.3 4,-2.8 -15,-0.2 -15,-0.2 -0.236 29.0-119.1 -75.2 159.0 25.6 12.6 18.2 42 36 A K H > S+ 0 0 15 -17,-1.8 4,-1.3 -19,-0.3 -18,-0.2 0.922 117.1 55.1 -57.9 -44.2 25.6 16.3 17.8 43 37 A R H >4 S+ 0 0 88 -20,-2.4 3,-0.8 1,-0.2 4,-0.4 0.958 111.3 42.7 -51.7 -56.5 25.9 16.5 21.6 44 38 A N H >4 S+ 0 0 54 -21,-0.3 3,-1.1 1,-0.3 6,-0.2 0.902 111.8 53.9 -63.3 -39.1 29.0 14.4 21.7 45 39 A C H 3< S+ 0 0 0 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.707 110.4 47.2 -69.3 -19.4 30.7 16.0 18.7 46 40 A H T << S+ 0 0 3 -4,-1.3 105,-2.5 -3,-0.8 2,-0.5 0.325 83.9 106.3-111.2 11.9 30.3 19.5 20.2 47 41 A L B X> -L 150 0B 17 -3,-1.1 4,-2.4 -4,-0.4 3,-1.4 -0.769 63.2-145.7 -87.9 125.5 31.6 18.8 23.7 48 42 A N H 3> S+ 0 0 13 101,-3.1 4,-2.9 -2,-0.5 5,-0.2 0.885 99.0 64.3 -57.4 -37.1 35.1 20.2 24.3 49 43 A E H 34 S+ 0 0 50 100,-0.5 -1,-0.3 1,-0.2 4,-0.1 0.776 111.6 36.2 -55.9 -29.2 35.9 17.2 26.5 50 44 A N H X4>S+ 0 0 29 -3,-1.4 5,-1.9 -6,-0.2 3,-1.0 0.822 112.9 56.7 -91.6 -38.6 35.5 14.9 23.4 51 45 A I H ><5S+ 0 0 2 -4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.878 102.1 57.6 -60.4 -38.8 37.0 17.4 20.9 52 46 A E T 3<5S+ 0 0 127 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.703 101.7 55.6 -68.3 -17.8 40.2 17.5 23.0 53 47 A K T < 5S- 0 0 175 -3,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.464 132.2 -94.4 -88.1 -5.4 40.5 13.7 22.7 54 48 A G T < 5 + 0 0 47 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.318 66.0 161.5 113.0 -4.7 40.4 14.2 18.9 55 49 A L < + 0 0 33 -5,-1.9 2,-0.3 -11,-0.1 -1,-0.3 -0.254 15.2 175.6 -55.7 128.1 36.7 13.8 18.0 56 50 A L - 0 0 5 -26,-0.3 -26,-2.2 98,-0.0 2,-0.3 -0.996 10.4-169.4-140.9 138.2 36.2 15.4 14.6 57 51 A H E -Cd 29 154A 0 96,-1.6 98,-2.1 -2,-0.3 2,-0.2 -0.895 27.5-105.3-130.9 158.3 33.1 15.6 12.3 58 52 A R E + d 0 155A 3 -30,-2.5 -30,-0.4 -2,-0.3 2,-0.3 -0.577 49.3 155.9 -78.0 144.5 32.2 16.6 8.8 59 53 A A E - d 0 156A 0 96,-2.4 98,-3.0 -2,-0.2 2,-0.3 -0.886 26.6-136.4-152.8 177.7 30.4 19.9 8.4 60 54 A F E -Ed 93 157A 0 33,-2.8 33,-1.8 96,-0.3 2,-0.4 -0.987 3.3-157.9-143.2 161.3 29.7 22.8 6.0 61 55 A S E -Ed 92 158A 0 96,-2.7 98,-3.0 -2,-0.3 2,-0.4 -0.996 16.9-153.0-129.6 134.7 29.5 26.6 5.8 62 56 A V E -Ed 91 159A 0 29,-2.6 28,-1.8 -2,-0.4 29,-0.9 -0.898 7.0-162.3-108.3 139.0 27.5 28.3 3.1 63 57 A V E - d 0 160A 0 96,-2.7 98,-2.3 -2,-0.4 2,-0.5 -0.976 16.4-169.2-114.6 112.5 28.2 31.8 1.8 64 58 A L E - d 0 161A 0 -2,-0.6 8,-2.8 8,-0.4 2,-0.4 -0.919 3.9-174.1-108.3 127.2 25.1 33.0 -0.0 65 59 A F E -Fd 71 162A 1 96,-2.8 98,-1.7 -2,-0.5 6,-0.2 -0.924 16.6-138.1-118.3 140.1 25.2 36.2 -2.2 66 60 A N > - 0 0 30 4,-2.5 3,-1.8 -2,-0.4 98,-0.1 -0.302 41.6 -93.4 -81.8 180.0 22.4 38.0 -3.9 67 61 A T T 3 S+ 0 0 57 1,-0.3 -1,-0.1 2,-0.1 97,-0.1 0.523 127.4 61.7 -77.4 -5.2 22.9 39.4 -7.5 68 62 A K T 3 S- 0 0 165 2,-0.1 -1,-0.3 113,-0.0 -2,-0.0 0.186 120.0-112.9 -94.7 15.4 24.0 42.8 -6.0 69 63 A N < + 0 0 63 -3,-1.8 2,-0.4 1,-0.2 113,-0.3 0.764 68.4 144.6 56.2 31.9 26.9 40.9 -4.4 70 64 A R - 0 0 92 111,-0.1 -4,-2.5 112,-0.1 2,-0.3 -0.857 43.8-134.2 -91.7 139.4 25.7 41.3 -0.8 71 65 A I E -FG 65 180A 0 109,-2.9 109,-2.5 -2,-0.4 2,-0.7 -0.675 14.1-121.0 -94.5 142.0 26.3 38.3 1.5 72 66 A L E - G 0 179A 0 -8,-2.8 2,-0.6 -2,-0.3 -8,-0.4 -0.741 29.3-168.9 -82.1 115.2 23.7 36.9 3.8 73 67 A I E - G 0 178A 0 105,-3.4 105,-2.5 -2,-0.7 2,-0.3 -0.928 7.4-153.3-108.5 114.0 25.0 37.2 7.4 74 68 A Q E - G 0 177A 5 15,-1.5 14,-2.6 -2,-0.6 2,-0.6 -0.645 8.1-146.6 -79.5 145.4 23.0 35.3 9.9 75 69 A Q E -HG 87 176A 28 101,-2.8 100,-2.5 -2,-0.3 101,-1.2 -0.984 30.1-125.2-101.1 123.0 22.8 36.2 13.6 76 70 A R E - G 0 174A 17 10,-2.9 9,-0.5 -2,-0.6 98,-0.3 -0.377 29.3-103.7 -65.1 140.8 22.4 32.9 15.5 77 71 A S > - 0 0 3 96,-2.3 8,-1.5 7,-0.2 3,-1.1 -0.185 24.0-115.5 -57.3 160.5 19.5 32.8 17.8 78 72 A D T 3 S+ 0 0 83 6,-0.3 -1,-0.1 1,-0.2 94,-0.1 0.607 113.7 65.6 -71.3 -11.3 20.1 33.1 21.5 79 73 A T T 3 S+ 0 0 33 92,-0.3 -63,-0.7 93,-0.1 -1,-0.2 0.352 72.2 113.5 -95.9 4.1 18.8 29.5 21.7 80 74 A K < - 0 0 8 -3,-1.1 93,-0.1 -65,-0.1 -66,-0.0 -0.527 67.1-135.4 -71.6 143.2 21.7 27.8 19.8 81 75 A V S S+ 0 0 6 -2,-0.2 2,-0.4 2,-0.1 -1,-0.1 0.934 91.3 43.3 -63.1 -45.2 23.9 25.5 21.9 82 76 A T S S- 0 0 6 1,-0.2 -1,-0.1 64,-0.0 -2,-0.1 -0.810 128.8 -7.9-107.7 139.5 27.1 26.9 20.4 83 77 A F S > S- 0 0 2 -2,-0.4 3,-1.7 1,-0.1 -7,-0.2 0.851 78.6-165.5 47.1 49.8 27.8 30.6 19.7 84 78 A P T 3 S+ 0 0 38 0, 0.0 -6,-0.3 0, 0.0 -7,-0.2 -0.375 71.0 12.4 -64.6 140.0 24.2 31.8 20.6 85 79 A G T 3 S+ 0 0 12 -8,-1.5 2,-0.3 -9,-0.5 113,-0.2 0.441 96.7 134.3 81.4 -5.3 23.6 35.4 19.4 86 80 A Y < - 0 0 42 -3,-1.7 -10,-2.9 -9,-0.3 113,-0.2 -0.606 57.9-121.1 -83.6 146.9 26.8 35.5 17.2 87 81 A F B +Hi 75 199A 31 111,-2.9 113,-2.9 -2,-0.3 -12,-0.2 -0.486 48.6 152.9 -75.2 148.8 26.9 36.9 13.7 88 82 A T - 0 0 2 -14,-2.6 -14,-0.5 1,-0.3 -1,-0.0 -0.781 42.1 -51.3-160.6-170.8 28.1 34.2 11.3 89 83 A D - 0 0 0 -2,-0.2 -15,-1.5 -16,-0.2 -1,-0.3 0.070 68.3 -85.1 -72.4-169.1 28.1 33.0 7.7 90 84 A S S S- 0 0 0 -28,-1.8 2,-0.2 1,-0.3 -27,-0.2 0.789 104.0 -14.6 -76.2 -26.2 24.9 32.3 5.7 91 85 A C E -E 62 0A 0 -29,-0.9 -29,-2.6 -17,-0.1 2,-0.4 -0.753 61.4-175.2-174.7 124.0 24.3 28.8 7.0 92 86 A S E +E 61 0A 18 -31,-0.2 2,-0.3 -2,-0.2 -31,-0.2 -0.975 27.9 115.0-126.4 146.3 26.4 26.3 8.9 93 87 A S E -E 60 0A 5 -33,-1.8 -33,-2.8 -2,-0.4 21,-0.1 -0.874 50.4 -89.7-176.2-154.8 25.5 22.7 9.9 94 88 A H - 0 0 2 -35,-0.3 -35,-0.2 -2,-0.3 2,-0.2 -0.991 26.5-112.7-143.8 143.0 26.5 19.2 9.2 95 89 A P - 0 0 0 0, 0.0 -67,-0.8 0, 0.0 2,-0.2 -0.560 42.2-124.3 -73.1 146.9 25.5 16.3 6.9 96 90 A L B -B 27 0A 29 -2,-0.2 2,-1.9 13,-0.2 -69,-0.2 -0.544 21.9-101.9 -90.3 161.5 23.8 13.5 8.8 97 91 A Y S S+ 0 0 106 -71,-2.7 -71,-0.1 -2,-0.2 -70,-0.1 -0.581 82.9 107.6 -84.1 81.0 24.8 9.8 8.9 98 92 A N S > S- 0 0 55 -2,-1.9 4,-1.8 1,-0.1 3,-0.2 -0.941 83.7 -97.0-148.7 164.7 22.2 8.6 6.4 99 93 A P H > S+ 0 0 117 0, 0.0 4,-0.8 0, 0.0 3,-0.1 0.883 118.9 49.7 -56.0 -41.1 22.5 7.3 2.8 100 94 A A H 4 S+ 0 0 47 1,-0.2 3,-0.3 2,-0.2 12,-0.2 0.884 118.0 37.4 -67.1 -40.3 21.6 10.6 1.1 101 95 A E H 4 S+ 0 0 14 -3,-0.2 -1,-0.2 1,-0.2 12,-0.1 0.573 108.9 61.5 -94.2 -9.2 24.0 12.8 3.1 102 96 A L H < S+ 0 0 44 -4,-1.8 -1,-0.2 7,-0.1 -2,-0.2 0.615 73.9 116.6 -82.1 -16.9 26.9 10.3 3.3 103 97 A E < - 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