==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-DEC-98 1B4Q . COMPND 2 MOLECULE: PROTEIN (HUMAN THIOLTRANSFERASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.YANG,S.C.JAO,S.NANDURI,D.W.STARKE,J.J.MIEYAL,J.QIN . 105 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6153.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 77.1 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 . 8 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.9 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 1 0 0 0 0 1 1 1 1 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 40 0, 0.0 4,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 80.2 17.1 44.7 5.1 2 2 A Q > + 0 0 135 2,-0.1 4,-1.7 3,-0.1 5,-0.3 0.717 360.0 33.4-111.8 -75.3 16.0 43.3 1.6 3 3 A E H > S+ 0 0 142 1,-0.2 4,-1.2 3,-0.2 5,-0.1 0.666 108.4 80.0 -59.4 -10.2 18.9 42.7 -0.8 4 4 A F H 4 S+ 0 0 80 2,-0.2 4,-0.5 1,-0.1 -1,-0.2 0.999 108.5 15.3 -61.1 -71.2 20.8 41.8 2.4 5 5 A V H >> S+ 0 0 1 -3,-0.3 4,-2.9 1,-0.2 3,-1.5 0.906 124.1 60.9 -73.2 -40.8 19.5 38.2 3.0 6 6 A N H 3< S+ 0 0 51 -4,-1.7 -1,-0.2 1,-0.3 -3,-0.2 0.866 102.5 53.6 -56.0 -34.1 18.1 37.8 -0.5 7 7 A S T 3< S+ 0 0 89 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.721 115.4 40.5 -74.5 -18.3 21.6 38.3 -1.9 8 8 A K T <4 S+ 0 0 48 -3,-1.5 2,-0.5 -4,-0.5 -2,-0.2 0.852 101.0 71.5 -98.0 -42.5 23.0 35.5 0.3 9 9 A I < + 0 0 5 -4,-2.9 67,-0.1 67,-0.1 5,-0.1 -0.615 62.4 150.5 -78.3 126.9 20.2 32.9 0.2 10 10 A Q > - 0 0 101 -2,-0.5 3,-1.1 3,-0.3 65,-0.2 -0.976 53.0 -71.0-150.6 159.1 20.1 31.1 -3.2 11 11 A P T 3 S+ 0 0 97 0, 0.0 64,-0.1 0, 0.0 3,-0.1 -0.197 119.5 15.2 -53.1 136.6 19.2 27.7 -4.6 12 12 A G T 3 S+ 0 0 16 1,-0.2 2,-0.4 62,-0.0 62,-0.1 0.812 107.0 107.6 69.1 28.0 21.7 25.0 -3.6 13 13 A K < - 0 0 48 -3,-1.1 62,-1.2 60,-0.1 2,-0.5 -0.987 56.6-150.0-140.6 130.6 23.2 27.2 -0.9 14 14 A V E +aB 42 74A 0 27,-1.1 29,-0.6 -2,-0.4 2,-0.4 -0.835 20.2 171.3-101.5 133.8 22.9 27.0 2.9 15 15 A V E -aB 43 73A 0 58,-0.8 58,-1.2 -2,-0.5 2,-0.5 -1.000 15.3-156.5-141.4 137.5 23.1 30.1 5.0 16 16 A V E -aB 44 72A 0 27,-0.8 29,-4.6 -2,-0.4 2,-0.6 -0.954 6.5-150.3-120.5 128.5 22.4 30.5 8.8 17 17 A F E +aB 45 71A 5 54,-1.9 54,-1.1 -2,-0.5 2,-0.2 -0.820 34.2 158.4 -95.3 118.8 21.4 33.8 10.5 18 18 A I E -a 46 0A 0 27,-2.9 29,-1.5 -2,-0.6 30,-0.3 -0.716 40.7-135.2-130.2-176.2 22.7 33.8 14.1 19 19 A K > - 0 0 63 3,-0.2 3,-1.9 -2,-0.2 2,-1.6 -0.796 28.1-130.0-145.0 93.2 23.5 36.1 17.0 20 20 A P T 3 S+ 0 0 64 0, 0.0 26,-0.0 0, 0.0 -2,-0.0 -0.173 96.8 58.6 -48.3 82.6 26.8 35.2 18.7 21 21 A T T 3 S+ 0 0 104 -2,-1.6 3,-0.0 1,-0.4 -3,-0.0 0.164 83.1 76.7-177.8 -36.5 25.3 35.3 22.2 22 22 A C S X> S- 0 0 56 -3,-1.9 4,-1.3 1,-0.1 3,-0.8 -0.840 70.4-140.0 -98.1 126.8 22.4 32.7 22.4 23 23 A P H 3> S+ 0 0 87 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.707 97.7 67.3 -56.2 -23.0 23.5 29.0 22.7 24 24 A Y H 3> S+ 0 0 142 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.948 100.0 47.4 -67.9 -43.1 20.7 28.0 20.2 25 25 A S H <> S+ 0 0 1 -3,-0.8 4,-1.6 1,-0.2 -1,-0.2 0.923 110.0 54.5 -63.1 -38.1 22.3 29.8 17.3 26 26 A R H X S+ 0 0 121 -4,-1.3 4,-2.9 1,-0.2 5,-0.2 0.922 100.1 60.6 -61.4 -40.1 25.6 28.1 18.3 27 27 A R H X S+ 0 0 156 -4,-2.1 4,-2.6 1,-0.3 -1,-0.2 0.941 103.4 50.3 -53.3 -45.2 23.8 24.7 18.2 28 28 A A H X S+ 0 0 1 -4,-1.6 4,-1.3 1,-0.2 5,-0.3 0.896 111.2 49.1 -61.5 -35.8 23.1 25.4 14.5 29 29 A Q H X S+ 0 0 47 -4,-1.6 4,-0.5 1,-0.2 -1,-0.2 0.882 111.3 50.1 -70.4 -36.1 26.8 26.2 14.1 30 30 A E H X S+ 0 0 119 -4,-2.9 4,-0.5 -5,-0.2 -2,-0.2 0.902 115.6 40.7 -70.1 -41.7 27.8 23.0 15.9 31 31 A I H >X S+ 0 0 42 -4,-2.6 3,-3.3 -5,-0.2 4,-0.6 0.993 116.2 43.4 -72.6 -69.4 25.5 20.7 13.8 32 32 A L H >< S+ 0 0 1 -4,-1.3 3,-0.8 1,-0.3 5,-0.3 0.755 104.6 70.6 -51.6 -16.6 25.9 22.0 10.2 33 33 A S H 3< S+ 0 0 63 -4,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.850 100.9 44.1 -68.8 -29.8 29.6 22.2 11.2 34 34 A Q H << S+ 0 0 142 -3,-3.3 -1,-0.2 -4,-0.5 -2,-0.2 0.429 92.2 103.5 -93.4 1.6 29.7 18.4 11.1 35 35 A L S << S- 0 0 34 -3,-0.8 2,-2.9 -4,-0.6 -4,-0.0 -0.744 78.9-126.0 -88.0 128.7 27.7 18.2 7.8 36 36 A P + 0 0 83 0, 0.0 69,-1.4 0, 0.0 2,-0.1 -0.365 46.5 171.7 -69.5 70.1 29.8 17.4 4.7 37 37 A I B -D 104 0B 13 -2,-2.9 67,-0.2 -5,-0.3 66,-0.1 -0.472 38.2 -96.4 -80.7 155.3 28.5 20.4 2.8 38 38 A K > - 0 0 90 65,-1.8 3,-0.6 -2,-0.1 4,-0.4 0.231 61.6 -65.1 -54.4-168.1 30.1 21.4 -0.5 39 39 A Q G > S- 0 0 186 1,-0.2 2,-3.9 2,-0.1 3,-1.0 0.697 114.3 -8.6 -54.8-129.1 32.9 24.0 -0.5 40 40 A G G 3 S+ 0 0 72 1,-0.2 -1,-0.2 -27,-0.0 -2,-0.1 -0.137 105.7 108.1 -67.7 52.8 31.9 27.6 0.5 41 41 A L G < + 0 0 37 -2,-3.9 -27,-1.1 -3,-0.6 2,-0.4 0.761 64.7 63.7 -98.8 -32.5 28.2 26.5 0.5 42 42 A L E < +a 14 0A 37 -3,-1.0 2,-0.3 -4,-0.4 -27,-0.2 -0.773 65.7 161.6 -95.6 135.2 27.7 26.6 4.2 43 43 A E E -a 15 0A 92 -29,-0.6 -27,-0.8 -2,-0.4 2,-0.4 -0.913 34.4-132.5-143.8 172.4 28.0 29.9 6.1 44 44 A F E -a 16 0A 64 -2,-0.3 2,-0.9 -29,-0.2 -27,-0.2 -0.954 18.1-157.4-133.1 111.0 27.1 31.6 9.3 45 45 A V E -a 17 0A 23 -29,-4.6 -27,-2.9 -2,-0.4 2,-1.2 -0.774 0.7-160.1 -96.2 106.9 25.5 35.1 9.1 46 46 A D E > -a 18 0A 54 -2,-0.9 3,-1.0 -29,-0.2 -27,-0.2 -0.671 1.4-163.4 -83.5 98.1 25.9 37.1 12.3 47 47 A I T 3 S+ 0 0 4 -29,-1.5 3,-0.3 -2,-1.2 -1,-0.2 0.515 87.0 62.6 -62.1 2.5 23.1 39.8 11.9 48 48 A T T > S+ 0 0 62 -30,-0.3 3,-1.1 1,-0.2 -1,-0.2 0.810 90.3 60.7 -96.5 -35.5 25.0 41.6 14.7 49 49 A A T < S+ 0 0 86 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.102 108.8 47.8 -78.8 28.8 28.3 42.2 12.9 50 50 A T T 3 S- 0 0 54 -3,-0.3 -1,-0.2 -2,-0.1 -2,-0.1 0.367 99.8-132.9-144.5 -3.6 26.4 44.2 10.2 51 51 A N S < S+ 0 0 110 -3,-1.1 -2,-0.0 1,-0.1 -1,-0.0 -0.092 82.6 81.8 69.9-179.1 24.2 46.6 12.2 52 52 A H >> + 0 0 81 1,-0.1 4,-1.7 3,-0.1 3,-0.7 0.842 56.5 163.1 54.0 27.2 20.4 47.0 11.4 53 53 A T H 3> S+ 0 0 39 1,-0.3 4,-1.8 2,-0.2 3,-0.4 0.926 71.0 47.0 -43.1 -56.0 20.1 43.8 13.5 54 54 A N H 3> S+ 0 0 91 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.848 105.0 62.2 -59.5 -32.7 16.3 44.4 13.9 55 55 A E H <> S+ 0 0 85 -3,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.943 106.0 44.1 -62.1 -44.6 16.0 45.1 10.1 56 56 A I H X S+ 0 0 4 -4,-1.7 4,-4.2 -3,-0.4 3,-0.4 0.988 117.4 43.1 -65.9 -54.8 17.2 41.6 9.1 57 57 A Q H X S+ 0 0 11 -4,-1.8 4,-3.3 1,-0.3 5,-0.2 0.958 111.8 55.3 -55.6 -44.8 15.1 39.7 11.8 58 58 A D H X S+ 0 0 87 -4,-2.9 4,-1.5 -5,-0.3 -1,-0.3 0.900 113.9 42.4 -54.4 -34.4 12.2 42.0 10.8 59 59 A Y H X S+ 0 0 49 -4,-1.6 4,-3.7 -3,-0.4 5,-0.3 0.932 109.1 54.9 -78.3 -45.8 12.9 40.7 7.3 60 60 A L H X>S+ 0 0 2 -4,-4.2 4,-3.0 1,-0.2 5,-1.3 0.904 106.9 56.3 -53.7 -35.8 13.3 37.1 8.4 61 61 A Q H <5S+ 0 0 80 -4,-3.3 -1,-0.2 -5,-0.3 -2,-0.2 0.981 114.0 34.7 -60.5 -57.5 9.9 37.5 9.9 62 62 A Q H <5S+ 0 0 166 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.881 119.3 53.1 -67.5 -35.2 8.2 38.6 6.7 63 63 A L H <5S- 0 0 69 -4,-3.7 -2,-0.2 -5,-0.1 -3,-0.2 0.958 139.1 -5.8 -65.6 -48.6 10.4 36.3 4.6 64 64 A T T <5S- 0 0 47 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.1 0.761 94.0-112.9-111.6 -63.9 9.6 33.2 6.7 65 65 A G S S-BC 14 77A 2 3,-0.9 3,-1.5 -2,-0.2 -60,-0.2 -0.592 80.5 -36.2 -71.9 116.0 18.5 25.4 2.9 75 75 A G T 3 S- 0 0 1 -62,-1.2 -60,-0.2 -2,-0.6 -65,-0.1 -0.291 119.2 -41.0 59.5-153.1 18.4 27.0 -0.6 76 76 A K T 3 S+ 0 0 126 -67,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.511 121.7 99.8 -83.8 0.2 15.8 29.7 -0.6 77 77 A D E < -C 74 0A 74 -3,-1.5 -3,-0.9 -4,-0.1 2,-0.2 -0.749 69.7-142.2 -89.5 118.8 13.5 27.4 1.4 78 78 A S E -C 73 0A 43 -2,-0.6 -5,-0.2 -5,-0.2 3,-0.1 -0.528 14.3-171.1 -76.3 142.7 13.5 28.1 5.2 79 79 A I E - 0 0 28 -7,-0.8 2,-0.3 1,-0.4 -1,-0.1 0.618 46.2-104.8-107.8 -17.7 13.4 25.1 7.5 80 80 A G E -C 72 0A 4 -8,-0.6 -8,-1.8 4,-0.1 -1,-0.4 -0.915 49.1 -45.7 129.4-157.6 12.8 27.0 10.8 81 81 A G S > S- 0 0 4 -2,-0.3 4,-2.0 -10,-0.2 -10,-0.2 0.164 77.7 -67.0 -91.8-147.1 15.0 27.8 13.8 82 82 A S H > S+ 0 0 13 -12,-0.2 4,-1.9 2,-0.2 5,-0.3 0.988 133.9 48.0 -72.6 -61.1 17.4 25.6 15.7 83 83 A S H > S+ 0 0 76 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.814 113.4 54.3 -51.0 -25.1 14.9 23.2 17.2 84 84 A D H > S+ 0 0 79 2,-0.2 4,-1.4 3,-0.1 -1,-0.2 0.951 105.7 49.4 -75.2 -49.3 13.5 23.0 13.7 85 85 A L H >X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 3,-1.1 0.974 111.8 47.7 -54.0 -59.2 16.8 22.1 12.0 86 86 A V H 3X>S+ 0 0 56 -4,-1.9 4,-2.0 1,-0.3 5,-0.6 0.945 104.1 60.2 -50.2 -51.9 17.6 19.2 14.4 87 87 A S H 3X5S+ 0 0 63 -4,-1.4 4,-0.7 -5,-0.3 -1,-0.3 0.883 112.4 41.8 -45.7 -36.8 14.0 17.8 14.1 88 88 A L H S+ 0 0 28 -4,-1.4 4,-1.9 -3,-1.1 6,-1.4 0.896 110.5 55.0 -79.0 -41.9 14.9 17.4 10.4 89 89 A Q H ><5S+ 0 0 65 -4,-2.4 3,-0.7 2,-0.2 -2,-0.2 0.982 112.7 40.9 -58.1 -57.1 18.5 16.1 10.9 90 90 A Q H 3<5S+ 0 0 146 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.831 117.2 51.6 -61.9 -26.6 17.5 13.2 13.1 91 91 A S H 3<> S+ 0 0 2 -6,-1.4 4,-2.0 2,-0.2 3,-0.6 0.996 101.1 43.3 -61.7 -66.8 17.2 17.7 6.3 95 95 A L H 3> S+ 0 0 77 1,-0.3 4,-2.8 -7,-0.2 -1,-0.2 0.849 111.3 60.7 -52.1 -28.3 19.9 16.1 4.2 96 96 A T H 3X S+ 0 0 69 -4,-1.1 4,-2.8 2,-0.2 5,-0.3 0.962 101.4 49.5 -64.6 -48.1 17.0 15.4 1.8 97 97 A R H S+ 0 0 5 -4,-2.0 5,-3.1 -5,-0.2 4,-1.9 0.900 111.4 51.2 -70.9 -40.0 20.1 19.4 0.7 99 99 A K H <5S+ 0 0 146 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.968 101.8 56.5 -63.8 -55.7 20.0 16.5 -1.8 100 100 A Q H <5S+ 0 0 112 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.834 121.8 31.6 -50.3 -29.3 17.1 17.8 -4.0 101 101 A I H <5S- 0 0 52 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.672 111.6-121.1-101.3 -19.2 19.1 21.0 -4.5 102 102 A G T <5 + 0 0 26 -4,-1.9 -3,-0.2 -5,-0.1 -4,-0.1 0.886 61.6 144.7 83.8 40.5 22.6 19.3 -4.3 103 103 A A < + 0 0 0 -5,-3.1 -65,-1.8 -8,-0.2 -4,-0.2 0.654 57.0 70.5 -85.1 -13.5 23.9 21.4 -1.3 104 104 A L B D 37 0B 50 -6,-0.5 -67,-0.2 -67,-0.2 -69,-0.0 -0.404 360.0 360.0 -94.6 176.2 25.8 18.3 0.0 105 105 A Q 0 0 175 -69,-1.4 -2,-0.1 -2,-0.1 -1,-0.1 -0.675 360.0 360.0 -78.2 360.0 28.9 16.6 -1.5