==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-DEC-10 3PTY . COMPND 2 MOLECULE: ARABINOSYLTRANSFERASE C; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR L.J.ALDERWICK,G.S.BESRA,K.FUTTERER . 284 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 26.1 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 . 1 0.4 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 . 23 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 2 2 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 6 3 3 4 0 3 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 1 0 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 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 1 735 A S > 0 0 136 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -54.7 101.7 13.8 -1.8 2 736 A V H > + 0 0 97 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.939 360.0 49.1 -65.4 -47.8 99.2 13.0 1.0 3 737 A G H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.940 112.2 48.3 -54.6 -49.8 97.9 10.1 -1.1 4 738 A R H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 113.0 46.5 -61.6 -42.9 101.5 8.8 -1.7 5 739 A S H X S+ 0 0 63 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.918 109.9 53.9 -68.9 -42.5 102.5 9.1 2.0 6 740 A N H X S+ 0 0 106 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.941 112.3 44.6 -51.4 -50.0 99.3 7.4 3.2 7 741 A L H X S+ 0 0 104 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.875 113.5 48.9 -68.2 -39.0 100.0 4.4 0.9 8 742 A Q H X S+ 0 0 123 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.914 112.5 49.2 -65.0 -43.0 103.7 4.2 1.8 9 743 A A H X S+ 0 0 55 -4,-3.1 4,-0.6 2,-0.2 -2,-0.2 0.936 111.0 51.3 -57.7 -47.1 102.7 4.3 5.4 10 744 A L H >< S+ 0 0 47 -4,-2.7 3,-1.2 -5,-0.2 6,-0.3 0.935 112.0 44.4 -55.4 -51.8 100.1 1.6 4.8 11 745 A A H 3< S+ 0 0 79 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.736 103.9 65.2 -70.9 -22.7 102.6 -0.7 3.1 12 746 A G H 3< S+ 0 0 70 -4,-1.6 2,-0.4 -3,-0.2 -1,-0.3 0.631 87.6 83.7 -74.6 -14.7 105.3 -0.1 5.7 13 747 A K S X< S- 0 0 56 -3,-1.2 3,-1.5 -4,-0.6 5,-0.1 -0.771 80.1-135.1 -92.6 134.3 103.1 -1.8 8.3 14 748 A T T 3 S+ 0 0 120 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.0 0.919 107.1 24.9 -52.1 -49.2 103.2 -5.6 8.6 15 749 A a T > S- 0 0 14 1,-0.3 3,-1.8 214,-0.1 -1,-0.3 0.011 101.9-143.1-110.9 30.2 99.5 -5.9 8.8 16 750 A G G X S- 0 0 1 -3,-1.5 3,-1.3 -6,-0.3 -1,-0.3 -0.161 73.1 -3.5 54.0-131.5 98.6 -2.6 7.1 17 751 A L G >> S+ 0 0 42 210,-2.6 4,-1.7 1,-0.3 3,-1.5 0.681 117.6 81.1 -69.9 -17.9 95.7 -0.7 8.5 18 752 A A G <4 S+ 0 0 0 -3,-1.8 191,-2.3 209,-0.5 190,-0.5 0.730 90.6 53.2 -63.0 -21.1 94.9 -3.5 11.1 19 753 A E G <4 S+ 0 0 61 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.645 111.7 45.1 -85.5 -15.7 97.6 -2.1 13.3 20 754 A D T <4 S+ 0 0 3 -3,-1.5 249,-3.0 -4,-0.3 2,-0.5 0.654 90.8 86.1-104.9 -21.1 96.1 1.5 13.2 21 755 A V E < -A 268 0A 0 -4,-1.7 187,-2.5 247,-0.2 2,-0.5 -0.745 67.0-154.6 -80.6 123.5 92.4 0.7 13.8 22 756 A L E -AB 267 207A 22 245,-3.6 245,-2.5 -2,-0.5 2,-0.4 -0.900 9.0-152.1-103.6 126.6 91.8 0.6 17.5 23 757 A V E -AB 266 206A 2 183,-3.4 183,-1.6 -2,-0.5 2,-0.7 -0.826 12.2-160.2-110.6 133.9 88.7 -1.5 18.5 24 758 A E E +A 265 0A 0 241,-3.1 241,-0.7 -2,-0.4 181,-0.2 -0.809 17.4 169.3-111.7 87.4 86.6 -1.1 21.6 25 759 A L S S+ 0 0 46 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.784 74.9 39.4 -70.2 -28.8 84.8 -4.4 22.0 26 760 A D >> + 0 0 75 178,-0.4 3,-1.2 1,-0.1 4,-0.5 -0.717 60.0 172.5-127.2 81.1 83.4 -3.6 25.5 27 761 A P G >4 S+ 0 0 0 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.795 79.0 63.9 -59.7 -26.5 82.3 0.0 25.7 28 762 A N G >4 S+ 0 0 11 1,-0.2 3,-0.9 51,-0.2 52,-0.1 0.821 91.0 63.9 -69.6 -26.6 80.8 -0.6 29.1 29 763 A A G <4 S+ 0 0 43 -3,-1.2 -1,-0.2 1,-0.2 173,-0.0 0.749 104.0 48.7 -65.2 -23.3 84.2 -1.4 30.6 30 764 A G G << S+ 0 0 8 -3,-0.9 172,-2.2 -4,-0.5 -1,-0.2 0.526 79.6 126.3 -96.3 -6.3 85.3 2.2 29.9 31 765 A M B < -C 201 0B 41 -3,-0.9 170,-0.3 -4,-0.4 2,-0.2 -0.217 63.3-118.6 -54.8 135.2 82.3 4.0 31.4 32 766 A L - 0 0 12 168,-2.3 76,-0.1 1,-0.1 -1,-0.1 -0.538 28.3-114.6 -71.9 142.6 83.2 6.6 34.0 33 767 A A - 0 0 57 74,-0.4 74,-3.5 -2,-0.2 2,-0.1 -0.575 31.7-112.4 -73.0 137.7 81.8 6.0 37.5 34 768 A P B -J 106 0C 30 0, 0.0 72,-0.3 0, 0.0 5,-0.1 -0.446 19.8-134.4 -64.2 148.4 79.2 8.6 38.6 35 769 A V S S- 0 0 33 70,-3.1 71,-0.1 -2,-0.1 -2,-0.0 0.955 87.5 -14.5 -69.6 -51.0 80.6 10.7 41.5 36 770 A T S S+ 0 0 127 69,-0.5 70,-0.1 2,-0.1 -1,-0.0 0.697 114.5 81.8-123.6 -35.1 77.5 10.5 43.7 37 771 A A S S- 0 0 23 68,-0.3 5,-0.1 1,-0.1 8,-0.0 -0.437 81.5-103.1 -82.2 149.0 74.4 9.2 41.8 38 772 A P >> - 0 0 82 0, 0.0 4,-1.7 0, 0.0 3,-1.2 -0.332 41.1-105.2 -59.2 154.2 73.6 5.6 41.1 39 773 A L H 3> S+ 0 0 73 1,-0.3 4,-0.6 2,-0.2 3,-0.1 0.846 120.4 53.4 -50.4 -42.9 74.4 4.5 37.5 40 774 A A H 34 S+ 0 0 30 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.815 116.3 38.6 -64.0 -30.8 70.7 4.5 36.5 41 775 A D H X4 S+ 0 0 95 -3,-1.2 3,-1.1 1,-0.1 4,-0.3 0.699 94.6 81.6 -91.7 -26.4 70.2 8.1 37.8 42 776 A A H >< S+ 0 0 0 -4,-1.7 62,-3.5 1,-0.3 3,-0.9 0.785 79.0 64.3 -64.8 -32.1 73.4 9.8 36.8 43 777 A L T 3< S+ 0 0 1 -4,-0.6 -1,-0.3 1,-0.3 3,-0.1 0.820 121.7 19.6 -64.8 -30.8 72.7 10.7 33.1 44 778 A G T < S+ 0 0 25 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.123 89.4 115.2-122.4 22.5 69.8 13.0 34.0 45 779 A A S < S+ 0 0 55 -3,-0.9 58,-0.2 -4,-0.3 -2,-0.1 0.708 78.3 45.0 -71.6 -22.3 70.6 13.8 37.6 46 780 A G S S- 0 0 36 56,-1.3 2,-0.3 -4,-0.3 57,-0.2 0.956 129.2 -27.8 -82.5 -64.2 71.2 17.5 37.1 47 781 A L E -K 102 0C 62 55,-2.6 55,-2.8 2,-0.0 2,-0.4 -0.972 50.2-175.6-155.9 137.4 68.4 18.5 34.8 48 782 A S E +K 101 0C 55 -2,-0.3 2,-0.5 53,-0.2 53,-0.2 -0.949 5.7 176.9-135.0 115.6 66.2 16.9 32.2 49 783 A E E S-K 100 0C 86 51,-3.0 51,-1.9 -2,-0.4 3,-0.1 -0.959 80.8 -23.7-117.7 112.4 63.6 18.9 30.3 50 784 A A S S+ 0 0 25 -2,-0.5 2,-0.5 1,-0.2 47,-0.1 0.749 103.2 125.3 55.2 26.7 61.8 16.8 27.7 51 785 A F + 0 0 4 49,-0.2 39,-0.2 39,-0.1 -1,-0.2 -0.983 37.0 170.6-108.3 121.6 64.7 14.3 27.6 52 786 A T B > -D 89 0B 55 37,-2.6 37,-2.5 -2,-0.5 3,-2.0 -0.897 47.9-108.9-134.7 159.0 63.3 10.8 28.2 53 787 A P T 3 S+ 0 0 34 0, 0.0 21,-0.3 0, 0.0 18,-0.1 0.783 121.6 37.3 -60.2 -28.3 64.6 7.2 28.1 54 788 A N T 3 S+ 0 0 80 18,-0.1 2,-2.1 35,-0.1 34,-0.1 0.144 78.2 120.1-109.4 20.0 62.4 6.6 25.0 55 789 A G < + 0 0 2 -3,-2.0 36,-2.2 34,-0.2 37,-0.1 -0.372 54.7 94.2 -80.3 60.5 62.8 9.9 23.3 56 790 A I S S- 0 0 15 -2,-2.1 4,-0.1 34,-0.2 33,-0.0 -0.973 81.0-107.9-151.9 133.2 64.3 8.3 20.2 57 791 A P - 0 0 21 0, 0.0 3,-0.1 0, 0.0 34,-0.0 -0.253 24.3-123.9 -61.0 151.9 62.6 7.2 17.0 58 792 A A S S+ 0 0 70 1,-0.2 2,-0.7 2,-0.1 17,-0.2 0.836 106.2 52.0 -62.3 -32.2 62.2 3.4 16.4 59 793 A D 0 0 90 1,-0.2 -1,-0.2 3,-0.0 4,-0.0 -0.869 360.0 360.0-112.2 99.8 64.1 4.0 13.2 60 794 A V 0 0 57 -2,-0.7 -1,-0.2 -3,-0.1 102,-0.1 0.797 360.0 360.0 -93.2 360.0 67.4 5.8 13.6 61 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 62 825 A G 0 0 56 0, 0.0 13,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-117.0 65.2 -0.5 16.4 63 826 A T B -P 74 0D 59 11,-0.2 2,-0.3 13,-0.0 11,-0.2 -0.967 360.0-142.9-136.6 145.4 63.5 -1.6 19.6 64 827 A T - 0 0 27 9,-2.6 4,-0.1 -2,-0.3 11,-0.0 -0.714 18.9-129.0-105.0 159.2 64.0 -4.3 22.3 65 828 A A S S+ 0 0 91 -2,-0.3 -1,-0.1 2,-0.1 8,-0.0 0.970 94.7 47.4 -67.4 -55.8 61.4 -6.4 24.2 66 829 A A S S- 0 0 69 1,-0.1 -2,-0.1 7,-0.0 2,-0.1 -0.658 90.5-116.8 -91.5 143.8 62.8 -5.7 27.7 67 830 A P - 0 0 80 0, 0.0 6,-0.2 0, 0.0 5,-0.1 -0.360 25.9-118.6 -76.2 156.6 63.7 -2.2 28.8 68 831 A G > - 0 0 13 4,-3.0 3,-2.0 -15,-0.1 15,-0.2 -0.126 49.7 -69.8 -80.1-172.4 67.2 -1.1 29.8 69 832 A I T 3 S+ 0 0 66 13,-3.0 14,-0.1 1,-0.3 -29,-0.1 0.806 134.5 34.5 -55.1 -39.4 68.3 0.2 33.2 70 833 A N T 3 S- 0 0 37 12,-0.3 -1,-0.3 15,-0.2 13,-0.1 0.207 127.6 -88.7-104.9 19.2 66.5 3.5 33.0 71 834 A G S < S+ 0 0 34 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.483 76.9 144.3 100.3 5.3 63.5 2.2 31.0 72 835 A S - 0 0 6 10,-0.1 -4,-3.0 1,-0.1 -1,-0.3 -0.589 32.5-171.4 -80.9 135.0 64.6 2.6 27.4 73 836 A R + 0 0 106 -2,-0.3 -9,-2.6 -6,-0.2 2,-0.2 0.249 47.2 127.1-101.5 10.2 63.6 0.1 24.8 74 837 A A B -P 63 0D 14 -21,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.479 68.2-119.1 -64.1 130.7 65.9 1.7 22.2 75 838 A R - 0 0 108 -13,-2.1 -1,-0.1 -2,-0.2 -2,-0.1 -0.636 33.3-138.1 -74.0 126.5 68.2 -0.9 20.8 76 839 A L - 0 0 25 -2,-0.4 3,-0.4 4,-0.2 2,-0.0 -0.629 9.9-134.5 -92.7 146.1 71.7 0.2 21.6 77 840 A P S > S+ 0 0 26 0, 0.0 3,-2.4 0, 0.0 187,-0.1 -0.247 77.2 34.2 -85.2 175.7 74.7 0.0 19.3 78 841 A Y T 3 S- 0 0 30 185,-0.7 187,-0.3 1,-0.3 3,-0.1 0.647 124.5 -71.5 60.4 21.7 78.3 -1.2 19.8 79 842 A N T 3 S+ 0 0 87 -3,-0.4 -1,-0.3 1,-0.2 -51,-0.2 0.745 77.5 171.8 60.1 25.0 77.3 -3.9 22.2 80 843 A L < - 0 0 7 -3,-2.4 -1,-0.2 -53,-0.1 -4,-0.2 -0.463 37.1-120.1 -56.6 134.6 76.4 -1.4 24.9 81 844 A D >> - 0 0 57 1,-0.2 3,-2.6 -2,-0.1 4,-0.5 -0.726 15.3-154.6 -87.5 111.8 74.7 -3.4 27.7 82 845 A P G >4 S+ 0 0 50 0, 0.0 -13,-3.0 0, 0.0 3,-0.8 0.815 94.9 61.8 -55.8 -30.9 71.2 -2.0 28.2 83 846 A A G 34 S+ 0 0 62 -15,-0.2 -2,-0.0 1,-0.2 -15,-0.0 0.644 117.9 29.5 -70.1 -12.3 71.3 -3.2 31.8 84 847 A R G <4 S+ 0 0 107 -3,-2.6 -1,-0.2 1,-0.1 -3,-0.1 0.241 109.9 75.8-126.8 10.4 74.3 -0.9 32.4 85 848 A T << - 0 0 2 -3,-0.8 -15,-0.2 -4,-0.5 -1,-0.1 -0.823 58.8-162.2-134.9 95.5 73.5 1.9 29.9 86 849 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -45,-0.0 -0.382 12.7-159.5 -66.1 154.3 70.9 4.6 30.6 87 850 A V - 0 0 1 111,-0.1 2,-0.4 -5,-0.0 111,-0.2 -0.993 11.2-174.6-135.4 141.5 69.7 6.6 27.5 88 851 A L E + E 0 197B 11 109,-1.9 109,-2.8 -2,-0.4 2,-0.3 -0.992 10.8 173.6-136.5 132.7 68.0 10.0 27.3 89 852 A G E -DE 52 196B 0 -37,-2.5 -37,-2.6 -2,-0.4 107,-0.3 -0.960 32.4-146.0-139.0 156.3 66.7 11.6 24.1 90 853 A S + 0 0 5 105,-2.7 7,-0.2 -2,-0.3 -34,-0.2 0.269 59.8 119.0-105.2 9.7 64.7 14.6 23.0 91 854 A W + 0 0 77 -36,-2.2 2,-0.3 104,-0.3 -39,-0.2 -0.500 33.1 158.6 -73.6 145.7 62.9 13.1 20.1 92 855 A R - 0 0 78 99,-0.3 2,-0.2 -2,-0.2 -37,-0.1 -0.971 35.9-120.3-158.4 155.8 59.1 13.0 20.1 93 856 A A S S+ 0 0 74 -2,-0.3 2,-0.2 3,-0.0 0, 0.0 -0.508 79.9 10.7 -86.6 165.3 56.1 12.7 17.8 94 857 A G S S+ 0 0 67 -2,-0.2 2,-0.3 2,-0.0 -2,-0.1 -0.445 115.9 29.9 72.3-135.7 53.5 15.4 17.5 95 858 A V S S- 0 0 120 -2,-0.2 2,-0.3 1,-0.1 -2,-0.0 -0.428 75.8-140.3 -69.5 122.0 54.0 18.7 19.3 96 859 A Q - 0 0 37 -2,-0.3 93,-0.1 93,-0.2 -1,-0.1 -0.606 22.6-175.7 -84.2 138.5 57.7 19.7 19.5 97 860 A V - 0 0 53 -2,-0.3 91,-0.1 -7,-0.2 2,-0.0 -0.905 33.6 -89.7-130.9 158.8 59.0 21.3 22.7 98 861 A P - 0 0 54 0, 0.0 2,-0.3 0, 0.0 89,-0.2 -0.382 47.3-165.7 -63.4 147.1 62.3 22.9 23.9 99 862 A A E + L 0 186C 1 87,-1.9 87,-3.0 -2,-0.0 2,-0.3 -0.990 13.6 175.5-142.1 145.8 64.6 20.3 25.6 100 863 A M E -KL 49 185C 67 -51,-1.9 -51,-3.0 -2,-0.3 2,-0.4 -0.995 7.8-164.0-147.9 150.8 67.7 20.4 27.7 101 864 A L E +KL 48 184C 4 83,-2.7 83,-2.6 -2,-0.3 2,-0.4 -1.000 11.4 174.5-140.1 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