==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 15-FEB-96 1KTE . COMPND 2 MOLECULE: THIOLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR S.K.KATTI,A.H.ROBBINS . 105 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 79.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 11.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 11 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.9 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 1 0 1 1 0 2 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 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 PARALLEL BRIDGES PER LADDER . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 A A > 0 0 36 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -54.0 18.4 45.2 6.5 2 2 A Q H > + 0 0 114 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.936 360.0 40.6 -66.4 -53.0 16.2 44.0 3.5 3 3 A A H > S+ 0 0 79 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 113.3 59.2 -65.7 -35.4 18.8 44.0 0.8 4 4 A F H > S+ 0 0 52 2,-0.2 4,-0.9 1,-0.2 3,-0.4 0.960 113.0 34.0 -57.1 -57.1 21.3 42.5 3.2 5 5 A V H >X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 3,-0.7 0.915 116.2 57.2 -73.9 -31.0 19.3 39.4 4.0 6 6 A N H 3< S+ 0 0 66 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.787 104.1 52.8 -67.5 -26.8 17.8 39.1 0.5 7 7 A S H 3< S+ 0 0 72 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.752 107.6 53.1 -74.3 -25.3 21.3 38.9 -1.0 8 8 A K H << S+ 0 0 49 -4,-0.9 2,-0.3 -3,-0.7 -2,-0.2 0.912 93.9 77.5 -77.6 -38.7 22.3 36.1 1.3 9 9 A I < + 0 0 9 -4,-1.5 67,-0.1 67,-0.1 5,-0.1 -0.571 59.6 158.1 -82.2 129.2 19.4 33.8 0.5 10 10 A Q > - 0 0 99 -2,-0.3 3,-2.1 65,-0.3 65,-0.3 -0.996 47.2 -90.9-149.5 147.6 19.6 31.9 -2.8 11 11 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 64,-0.1 -0.409 115.0 19.2 -58.0 130.5 18.3 28.7 -4.5 12 12 A G T 3 S+ 0 0 20 1,-0.2 2,-0.3 -2,-0.1 62,-0.0 0.449 105.8 101.9 86.3 6.5 20.6 25.9 -3.7 13 13 A K < - 0 0 24 -3,-2.1 62,-3.0 2,-0.0 2,-0.5 -0.925 59.4-143.8-122.3 144.4 22.3 27.5 -0.7 14 14 A V E +aB 42 74A 1 27,-2.6 29,-1.7 -2,-0.3 2,-0.4 -0.918 23.1 179.2-101.7 128.8 21.8 26.9 3.1 15 15 A V E -aB 43 73A 0 58,-1.9 58,-2.8 -2,-0.5 2,-0.5 -0.999 11.0-165.0-130.3 133.9 22.2 30.1 5.2 16 16 A V E -aB 44 72A 0 27,-2.4 29,-2.5 -2,-0.4 2,-0.6 -0.984 13.1-145.9-118.4 121.4 21.8 30.2 9.0 17 17 A F E +aB 45 71A 0 54,-2.5 54,-1.6 -2,-0.5 2,-0.2 -0.837 33.4 171.0 -88.4 125.6 21.3 33.6 10.6 18 18 A I E -a 46 0A 18 27,-2.9 29,-2.4 -2,-0.6 30,-0.3 -0.677 29.2-145.8-126.0 176.3 23.0 33.6 14.0 19 19 A K - 0 0 58 -2,-0.2 3,-0.2 27,-0.2 2,-0.1 -0.918 35.2-101.9-132.2 154.2 24.0 35.8 16.9 20 20 A P S S+ 0 0 66 0, 0.0 5,-0.0 0, 0.0 27,-0.0 -0.441 106.5 31.5 -65.9 159.3 27.2 35.3 19.1 21 21 A T S S+ 0 0 154 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 0.992 84.9 133.4 50.0 65.4 26.5 33.7 22.5 22 22 A a >> - 0 0 20 -3,-0.2 4,-2.1 1,-0.1 3,-0.7 -0.760 42.3-163.2-147.4 96.7 23.6 31.6 21.2 23 23 A P H 3> S+ 0 0 99 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.846 92.2 47.5 -55.6 -38.1 23.7 28.0 22.3 24 24 A F H 3> S+ 0 0 110 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.796 105.8 57.8 -76.1 -27.1 21.3 26.8 19.6 25 25 A a H <> S+ 0 0 2 -3,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.972 108.8 48.7 -63.3 -48.7 23.1 28.7 16.9 26 26 A R H X S+ 0 0 129 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.853 108.9 50.5 -56.9 -45.6 26.2 26.6 17.9 27 27 A K H X S+ 0 0 98 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.939 111.6 49.2 -61.7 -42.7 24.2 23.4 17.9 28 28 A T H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.944 110.9 50.2 -60.1 -45.9 23.0 24.3 14.3 29 29 A Q H X S+ 0 0 37 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.901 108.8 53.1 -58.4 -40.8 26.6 25.1 13.3 30 30 A E H X S+ 0 0 104 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.900 110.8 45.9 -62.8 -44.1 27.7 21.7 14.7 31 31 A L H >X S+ 0 0 39 -4,-2.1 3,-1.1 1,-0.2 4,-0.6 0.981 117.7 40.1 -66.6 -53.9 25.2 19.8 12.7 32 32 A L H >< S+ 0 0 1 -4,-2.5 3,-1.0 1,-0.2 5,-0.3 0.841 104.3 66.6 -71.2 -27.8 25.6 21.5 9.3 33 33 A S H 3< S+ 0 0 77 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.678 96.1 58.0 -65.5 -17.8 29.5 21.8 9.5 34 34 A Q H << S+ 0 0 152 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.791 86.2 95.8 -78.2 -28.6 29.9 18.0 9.3 35 35 A L S << S- 0 0 29 -3,-1.0 2,-2.4 -4,-0.6 -3,-0.0 -0.319 87.1-111.0 -74.8 145.2 28.0 17.6 6.0 36 36 A P + 0 0 60 0, 0.0 69,-2.8 0, 0.0 -1,-0.1 -0.253 51.1 172.3 -74.3 56.1 30.0 17.5 2.7 37 37 A F B -D 104 0B 17 -2,-2.4 67,-0.3 -5,-0.3 2,-0.2 -0.244 34.4-117.8 -60.4 147.6 28.8 20.9 1.3 38 38 A K > - 0 0 100 65,-2.5 3,-1.6 1,-0.1 4,-0.2 -0.535 51.5 -75.6 -79.1 161.6 30.3 22.2 -1.8 39 39 A E T 3 S+ 0 0 198 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 -0.296 115.9 13.7 -65.1 133.7 32.2 25.5 -1.3 40 40 A G T 3 S+ 0 0 55 2,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.343 99.4 100.1 85.5 -2.9 30.1 28.6 -0.9 41 41 A L S < S+ 0 0 40 -3,-1.6 -27,-2.6 62,-0.2 2,-0.4 0.358 75.6 51.9 -99.7 2.4 26.9 26.7 -0.3 42 42 A L E +a 14 0A 39 -4,-0.2 2,-0.3 -29,-0.2 -2,-0.2 -0.996 66.4 171.7-129.8 131.4 26.7 26.9 3.5 43 43 A E E -a 15 0A 55 -29,-1.7 -27,-2.4 -2,-0.4 2,-0.5 -0.988 23.0-154.9-142.2 136.8 27.0 30.3 5.2 44 44 A F E -a 16 0A 54 -2,-0.3 2,-0.6 -29,-0.2 -27,-0.2 -0.953 18.4-160.7-107.7 124.6 26.5 31.4 8.8 45 45 A V E -a 17 0A 8 -29,-2.5 -27,-2.9 -2,-0.5 2,-0.8 -0.950 8.7-147.1-113.1 117.4 25.6 35.1 8.9 46 46 A D E > -a 18 0A 55 -2,-0.6 3,-1.3 -29,-0.2 -27,-0.2 -0.762 4.8-162.4 -84.4 114.4 26.1 37.0 12.2 47 47 A I G > S+ 0 0 0 -29,-2.4 3,-0.7 -2,-0.8 9,-0.1 0.651 86.1 66.3 -76.4 -9.1 23.4 39.6 12.4 48 48 A T G 3 S+ 0 0 68 -30,-0.3 -1,-0.3 1,-0.2 5,-0.1 0.686 82.5 76.3 -78.4 -17.8 25.3 41.5 15.1 49 49 A A G < S+ 0 0 82 -3,-1.3 2,-0.3 3,-0.1 -1,-0.2 0.458 92.4 62.6 -77.8 8.8 28.0 42.3 12.5 50 50 A T S X S- 0 0 40 -3,-0.7 3,-0.6 1,-0.1 0, 0.0 -0.906 87.1-125.2-127.7 151.6 25.7 45.0 11.1 51 51 A S T 3 S+ 0 0 124 -2,-0.3 2,-1.3 1,-0.2 3,-0.4 0.936 103.9 59.7 -60.7 -45.1 24.4 48.1 12.9 52 52 A D T 3> + 0 0 39 1,-0.2 4,-2.0 2,-0.1 -1,-0.2 -0.172 59.4 142.9 -88.2 50.7 20.7 47.3 12.2 53 53 A T H <> S+ 0 0 24 -2,-1.3 4,-2.3 -3,-0.6 3,-0.3 0.922 73.8 49.4 -52.3 -49.5 20.5 43.9 13.9 54 54 A N H > S+ 0 0 81 -3,-0.4 4,-2.4 1,-0.3 -1,-0.2 0.865 108.3 53.4 -64.5 -33.4 17.0 44.6 15.3 55 55 A E H > S+ 0 0 95 2,-0.2 4,-2.3 -3,-0.2 -1,-0.3 0.863 107.0 52.0 -70.0 -33.4 15.8 45.7 11.8 56 56 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 -3,-0.3 -2,-0.2 0.951 109.8 49.0 -65.1 -45.5 17.1 42.4 10.4 57 57 A Q H X S+ 0 0 28 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.899 109.9 52.6 -60.3 -39.6 15.1 40.5 13.1 58 58 A D H X S+ 0 0 61 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.911 109.9 47.7 -55.4 -49.2 12.0 42.6 12.2 59 59 A Y H X S+ 0 0 20 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.894 110.3 51.3 -67.2 -38.6 12.4 41.6 8.5 60 60 A L H X>S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 6,-0.7 0.891 107.6 54.2 -64.9 -34.0 12.9 37.9 9.4 61 61 A Q H X5S+ 0 0 91 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.972 112.6 43.3 -61.1 -49.7 9.6 38.1 11.5 62 62 A Q H <5S+ 0 0 139 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.876 120.9 41.1 -60.4 -41.0 7.8 39.5 8.5 63 63 A L H <5S+ 0 0 76 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.865 131.7 18.0 -78.7 -39.2 9.4 36.9 6.1 64 64 A T H <5S- 0 0 42 -4,-3.1 -3,-0.2 2,-0.3 -2,-0.2 0.600 99.7-109.5-113.6 -19.2 9.3 33.8 8.2 65 65 A G S < S-BC 14 77A 3 3,-2.8 3,-1.6 -2,-0.4 -60,-0.2 -0.984 79.5 -40.0-112.5 106.7 17.5 25.9 2.6 75 75 A G T 3 S- 0 0 7 -62,-3.0 -65,-0.3 -2,-0.6 -60,-0.1 -0.528 123.1 -30.7 71.1-134.4 17.2 27.8 -0.7 76 76 A K T 3 S+ 0 0 128 -2,-0.2 2,-0.6 -67,-0.1 -1,-0.3 0.345 120.0 100.8 -92.3 0.5 14.5 30.4 -0.3 77 77 A E E < -C 74 0A 97 -3,-1.6 -3,-2.8 2,-0.0 2,-0.8 -0.793 64.7-150.0 -92.0 117.2 12.6 28.1 2.2 78 78 A C E -C 73 0A 35 -2,-0.6 -5,-0.3 -5,-0.3 3,-0.1 -0.814 11.7-172.5 -84.2 115.9 13.1 29.0 5.8 79 79 A I E - 0 0 31 -7,-2.3 2,-0.4 -2,-0.8 -1,-0.2 0.690 41.3-110.5 -85.7 -14.5 12.8 25.6 7.6 80 80 A G E -C 72 0A 8 -8,-1.1 -8,-3.1 -3,-0.1 -1,-0.3 -0.976 44.4 -51.5 127.6-146.2 12.8 27.1 11.1 81 81 A G S > S- 0 0 10 -2,-0.4 4,-2.0 -10,-0.2 5,-0.2 -0.218 78.2 -52.4-113.0-147.8 15.4 27.0 13.9 82 82 A C H > S+ 0 0 11 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.907 128.9 54.0 -60.9 -49.5 17.3 24.3 15.7 83 83 A T H > S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 110.4 46.4 -54.4 -46.1 14.4 22.1 16.6 84 84 A D H > S+ 0 0 82 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.898 112.6 49.1 -70.2 -37.6 13.2 21.9 13.0 85 85 A L H X S+ 0 0 3 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.928 110.8 52.3 -64.6 -41.7 16.7 21.2 11.6 86 86 A E H X S+ 0 0 71 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.902 106.0 52.9 -65.9 -41.0 17.1 18.5 14.3 87 87 A S H X S+ 0 0 49 -4,-2.1 4,-2.6 2,-0.2 6,-0.3 0.906 107.6 51.1 -58.9 -42.6 13.8 16.7 13.4 88 88 A M H X>S+ 0 0 15 -4,-1.8 5,-2.4 1,-0.2 6,-1.1 0.906 111.3 49.9 -63.0 -38.1 14.8 16.5 9.7 89 89 A H H ><5S+ 0 0 92 -4,-1.9 3,-0.9 2,-0.2 -2,-0.2 0.948 111.2 47.2 -61.3 -53.6 18.1 15.0 10.9 90 90 A K H 3<5S+ 0 0 148 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.856 114.0 47.9 -56.4 -41.2 16.3 12.4 13.1 91 91 A R H 3<5S- 0 0 167 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.624 112.1-120.8 -77.2 -14.4 13.9 11.5 10.4 92 92 A G T < + 0 0 65 -5,-2.4 4,-2.5 -6,-0.3 -4,-0.2 0.759 52.3 75.2 -87.2 -23.1 15.3 13.8 5.6 94 94 A L H > S+ 0 0 2 -6,-1.1 4,-2.6 1,-0.2 5,-0.2 0.916 95.5 44.3 -63.6 -49.5 18.1 16.3 5.7 95 95 A L H > S+ 0 0 76 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.891 113.6 52.0 -64.8 -35.5 20.6 14.6 3.5 96 96 A T H X S+ 0 0 69 -4,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.970 110.9 48.4 -60.1 -50.0 18.0 13.8 0.9 97 97 A R H X S+ 0 0 46 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.914 113.3 46.3 -57.0 -48.3 16.9 17.4 0.9 98 98 A L H X>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 4,-0.7 0.891 111.2 51.8 -66.9 -37.2 20.4 18.8 0.5 99 99 A Q H ><5S+ 0 0 112 -4,-2.5 3,-1.2 -5,-0.2 -2,-0.2 0.937 105.3 56.7 -65.6 -42.3 21.3 16.3 -2.3 100 100 A Q H 3<5S+ 0 0 133 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.902 109.2 44.7 -56.4 -43.8 18.1 17.3 -4.2 101 101 A V H 3<5S- 0 0 50 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.606 114.7-120.0 -80.6 -0.4 19.2 21.0 -4.3 102 102 A G T <<5S+ 0 0 26 -3,-1.2 -3,-0.2 -4,-0.7 -2,-0.1 0.777 70.8 134.2 72.2 30.0 22.8 19.9 -5.2 103 103 A A < + 0 0 0 -5,-2.3 -65,-2.5 -66,-0.1 2,-0.2 0.685 51.5 77.6 -84.1 -15.8 24.4 21.4 -2.1 104 104 A V B D 37 0B 12 -6,-0.5 -67,-0.2 -67,-0.3 -69,-0.0 -0.580 360.0 360.0-100.5 153.9 26.5 18.4 -1.4 105 105 A K 0 0 181 -69,-2.8 -68,-0.1 -2,-0.2 -1,-0.1 0.759 360.0 360.0 -67.8 360.0 29.8 17.2 -3.0