==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-JUL-01 1JM4 . COMPND 2 MOLECULE: HIV-1 TAT PEPTIDE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.MUJTABA,Y.HE,L.ZENG,A.FAROOQ,J.E.CARLSON,M.OTT,E.VERDIN, . 129 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.8 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 . 5 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 41.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 4.7 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 0 0 0 1 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 46 A S 0 0 125 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.8 -19.9 4.9 -9.2 2 47 A Y - 0 0 153 55,-0.1 56,-0.2 56,-0.0 98,-0.1 0.037 360.0 -24.8 52.8-172.3 -16.1 5.1 -8.4 3 48 A G - 0 0 0 54,-0.3 54,-0.2 96,-0.1 94,-0.0 0.141 58.3-165.2 -54.4-175.8 -14.8 3.1 -5.5 4 49 A R - 0 0 90 51,-0.1 -1,-0.1 2,-0.1 51,-0.1 0.437 10.4-178.3-140.4 -63.0 -17.2 2.1 -2.7 5 50 A X + 0 0 46 51,-0.2 2,-0.2 1,-0.1 50,-0.1 0.979 45.2 121.4 52.9 61.5 -15.6 0.8 0.5 6 51 A K - 0 0 98 1,-0.3 -1,-0.1 3,-0.0 3,-0.1 -0.490 66.1 -49.1-131.9-156.3 -18.9 0.1 2.3 7 52 A R S S- 0 0 209 -2,-0.2 2,-0.6 1,-0.1 -1,-0.3 -0.129 74.7 -75.5 -73.6 178.5 -20.7 -2.8 3.9 8 53 A R - 0 0 197 1,-0.1 2,-0.7 47,-0.0 -1,-0.1 -0.651 47.2-120.6 -80.2 120.5 -21.1 -6.2 2.1 9 54 A Q - 0 0 95 -2,-0.6 2,-0.8 1,-0.1 -1,-0.1 -0.409 26.2-145.9 -61.2 105.0 -23.8 -5.9 -0.6 10 55 A R 0 0 221 -2,-0.7 -1,-0.1 1,-0.1 -3,-0.0 -0.612 360.0 360.0 -76.9 109.2 -26.3 -8.6 0.5 11 56 A C 0 0 143 -2,-0.8 -1,-0.1 0, 0.0 -2,-0.1 -0.244 360.0 360.0 -99.6 360.0 -27.7 -10.1 -2.7 12 !* 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 13 715 B G 0 0 118 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.8 16.2 15.8 -12.6 14 716 B S + 0 0 125 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.760 360.0 105.5-151.9 101.7 15.8 12.5 -14.5 15 717 B H - 0 0 171 -2,-0.3 -1,-0.1 0, 0.0 0, 0.0 0.481 45.6-159.6-143.0 -44.0 17.4 9.2 -13.5 16 718 B M + 0 0 150 113,-0.1 113,-0.1 112,-0.1 114,-0.1 0.985 19.7 172.1 53.2 72.4 14.8 6.8 -12.0 17 719 B S + 0 0 47 112,-0.2 112,-0.1 111,-0.2 111,-0.0 0.979 11.5 160.3 -76.0 -73.4 17.2 4.5 -10.1 18 720 B K + 0 0 40 1,-0.2 66,-0.3 65,-0.1 65,-0.2 0.940 23.2 156.7 52.0 48.9 14.9 2.3 -8.0 19 721 B E - 0 0 98 107,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.920 34.2-167.6-111.4 119.2 17.6 -0.3 -7.5 20 722 B P - 0 0 21 0, 0.0 2,-1.8 0, 0.0 6,-0.1 0.513 18.7-162.5 -80.1 -3.3 17.4 -2.6 -4.5 21 723 B R S S+ 0 0 204 105,-0.1 105,-0.0 4,-0.1 62,-0.0 -0.305 71.1 31.1 57.4 -86.1 21.0 -3.8 -5.1 22 724 B D S > S- 0 0 104 -2,-1.8 4,-1.5 1,-0.2 5,-0.1 -0.878 71.8-145.0-106.5 135.3 20.8 -6.9 -3.0 23 725 B P H >> S+ 0 0 64 0, 0.0 4,-2.0 0, 0.0 3,-0.7 0.967 102.7 48.0 -60.0 -54.5 17.5 -8.9 -2.7 24 726 B D H 3> S+ 0 0 117 1,-0.3 4,-1.6 2,-0.2 5,-0.3 0.929 105.9 59.5 -54.0 -43.4 18.1 -9.9 1.0 25 727 B Q H 3> S+ 0 0 105 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.903 107.2 47.4 -53.3 -37.7 19.0 -6.3 1.8 26 728 B L H S+ 0 0 5 -4,-1.5 4,-3.2 -3,-0.7 5,-0.6 0.896 100.2 67.0 -71.4 -39.0 15.5 -5.4 0.6 27 729 B Y H X5S+ 0 0 72 -4,-2.0 4,-1.6 54,-0.3 -2,-0.2 0.941 111.8 32.4 -48.3 -52.6 13.8 -8.2 2.6 28 730 B S H X5S+ 0 0 76 -4,-1.6 4,-1.3 2,-0.2 -1,-0.3 0.777 118.3 57.3 -78.6 -23.6 14.7 -6.5 5.9 29 731 B T H >X5S+ 0 0 13 -4,-1.2 4,-2.4 -5,-0.3 3,-0.9 0.992 110.9 40.0 -69.1 -58.6 14.4 -3.0 4.3 30 732 B L H 3X5S+ 0 0 0 -4,-3.2 4,-3.3 1,-0.3 5,-0.3 0.919 113.8 56.9 -55.7 -36.8 10.8 -3.5 3.2 31 733 B K H 3X< S+ 0 0 0 -4,-1.4 3,-1.4 -3,-0.5 -2,-0.2 0.891 106.0 54.3 -77.7 -39.0 3.7 0.8 8.8 38 740 B K H 3< S+ 0 0 106 -4,-4.3 -2,-0.2 1,-0.3 -1,-0.2 0.913 116.4 38.4 -62.1 -39.0 2.1 -2.3 10.5 39 741 B S T 3< S+ 0 0 93 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.2 0.220 91.5 127.9 -95.7 17.1 2.3 -0.6 13.9 40 742 B H < - 0 0 21 -3,-1.4 3,-0.4 1,-0.1 4,-0.1 -0.387 66.7-128.1 -71.4 151.0 1.4 2.9 12.4 41 743 B Q S S+ 0 0 173 1,-0.2 -1,-0.1 2,-0.1 -4,-0.1 0.416 107.5 38.7 -80.3 6.0 -1.5 4.7 14.0 42 744 B S S S+ 0 0 18 -5,-0.2 4,-0.3 68,-0.1 -1,-0.2 0.391 87.7 87.7-133.3 -1.4 -3.1 5.2 10.6 43 745 B A > + 0 0 0 -3,-0.4 4,-0.5 -6,-0.2 3,-0.2 0.404 58.7 103.9 -81.6 7.2 -2.5 1.9 8.8 44 746 B W T >4 S+ 0 0 135 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.923 79.7 47.8 -54.0 -48.1 -5.7 0.5 10.3 45 747 B P G >4 S+ 0 0 28 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.842 109.1 54.3 -65.4 -31.6 -7.7 0.9 7.0 46 748 B F G 34 S+ 0 0 2 -4,-0.3 22,-1.8 1,-0.2 23,-1.2 0.514 91.6 76.7 -80.4 -0.8 -4.9 -0.7 5.0 47 749 B M G << S+ 0 0 53 -3,-1.3 -1,-0.2 -4,-0.5 -3,-0.1 0.142 90.8 63.4 -95.2 23.8 -5.0 -3.8 7.3 48 750 B E S < S- 0 0 119 -3,-0.7 2,-0.2 18,-0.1 21,-0.2 -0.980 81.4-112.7-144.3 157.1 -8.1 -5.2 5.6 49 751 B P - 0 0 69 0, 0.0 18,-0.1 0, 0.0 -2,-0.1 -0.593 29.3-131.8 -87.1 148.8 -9.3 -6.5 2.3 50 752 B V - 0 0 30 -2,-0.2 17,-0.0 16,-0.1 0, 0.0 0.305 40.5 -83.7 -76.6-145.0 -11.9 -4.5 0.2 51 753 B K - 0 0 44 5,-0.1 -1,-0.1 2,-0.0 -43,-0.0 0.871 41.4-172.3 -93.6 -42.7 -14.9 -6.3 -1.3 52 754 B R S S+ 0 0 180 1,-0.2 -1,-0.0 3,-0.1 -2,-0.0 0.791 84.8 40.9 55.8 23.4 -13.4 -7.6 -4.6 53 755 B T S S+ 0 0 94 3,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.288 126.0 22.2-163.5 -39.9 -16.9 -8.6 -5.5 54 756 B E S S+ 0 0 48 2,-0.1 -44,-0.0 1,-0.1 -45,-0.0 0.174 90.1 107.4-126.0 17.2 -19.4 -5.8 -4.5 55 757 B A > - 0 0 11 -51,-0.1 3,-1.0 -50,-0.1 -51,-0.1 -0.753 61.0-150.4 -99.6 90.9 -17.1 -2.8 -4.3 56 758 B P T 3 S+ 0 0 41 0, 0.0 2,-0.4 0, 0.0 -51,-0.2 -0.208 77.7 37.1 -56.4 147.0 -17.9 -0.7 -7.4 57 759 B G T 3>>S+ 0 0 13 1,-0.4 4,-2.7 -54,-0.2 5,-0.6 -0.342 90.6 102.5 104.2 -53.0 -15.0 1.3 -8.7 58 760 B Y B <45S+a 62 0A 14 -3,-1.0 -1,-0.4 -2,-0.4 5,-0.1 0.098 70.1 46.0 -52.8 178.4 -12.3 -1.3 -8.1 59 761 B Y T 45S+ 0 0 183 3,-0.9 -1,-0.2 1,-0.2 4,-0.1 0.811 128.0 36.9 53.1 23.6 -11.1 -3.3 -11.1 60 762 B E T 45S+ 0 0 158 -3,-0.3 3,-0.3 -4,-0.1 -2,-0.2 0.155 128.6 23.4-164.6 -54.7 -11.0 0.1 -12.8 61 763 B V T <5S+ 0 0 23 -4,-2.7 2,-0.8 1,-0.2 -3,-0.2 0.782 126.3 49.7 -93.8 -32.7 -9.8 2.9 -10.4 62 764 B I B < +a 58 0A 1 -5,-0.6 -3,-0.9 1,-0.2 -1,-0.2 -0.654 64.7 172.3-106.2 76.3 -8.0 0.5 -8.1 63 765 B R S S+ 0 0 178 -2,-0.8 -1,-0.2 1,-0.3 -4,-0.1 0.959 84.4 16.1 -49.2 -54.5 -5.8 -1.6 -10.5 64 766 B F S S+ 0 0 66 -3,-0.2 -1,-0.3 1,-0.2 32,-0.2 -0.770 71.4 175.9-123.4 86.7 -4.0 -3.2 -7.5 65 767 B P + 0 0 40 0, 0.0 -1,-0.2 0, 0.0 32,-0.2 0.980 23.0 157.5 -52.2 -63.3 -6.0 -2.7 -4.3 66 768 B M - 0 0 32 1,-0.1 2,-0.3 26,-0.1 -18,-0.1 0.226 21.4-160.8 54.9 168.4 -3.7 -4.8 -2.1 67 769 B D >> - 0 0 2 1,-0.1 4,-4.5 -20,-0.1 3,-2.3 -0.872 35.2-107.5-178.8 145.7 -3.7 -4.2 1.7 68 770 B L H 3> S+ 0 0 4 -22,-1.8 4,-1.2 1,-0.3 5,-0.4 0.873 114.6 71.8 -51.9 -32.5 -1.4 -5.0 4.7 69 771 B K H 34 S+ 0 0 71 -23,-1.2 -1,-0.3 1,-0.2 -22,-0.1 0.865 123.4 9.0 -52.9 -33.7 -4.0 -7.6 5.6 70 772 B T H <4 S+ 0 0 27 -3,-2.3 4,-0.3 -22,-0.1 -2,-0.2 0.632 127.5 60.4-118.8 -26.3 -2.7 -9.7 2.7 71 773 B M H >X S+ 0 0 0 -4,-4.5 3,-2.4 1,-0.2 4,-1.1 0.933 97.3 58.3 -71.4 -44.9 0.4 -7.8 1.6 72 774 B S H 3X S+ 0 0 13 -4,-1.2 4,-0.9 -5,-0.4 -1,-0.2 0.800 96.5 66.4 -56.7 -23.7 2.3 -8.1 4.9 73 775 B E H 3> S+ 0 0 104 -5,-0.4 4,-0.6 1,-0.2 -1,-0.3 0.756 97.1 54.9 -70.2 -20.3 1.9 -11.9 4.4 74 776 B R H X>>S+ 0 0 53 -3,-2.4 5,-1.7 -4,-0.3 3,-1.2 0.923 96.3 60.5 -79.9 -44.4 4.2 -11.6 1.3 75 777 B L H 3<5S+ 0 0 0 -4,-1.1 3,-0.5 1,-0.3 -1,-0.2 0.853 106.3 51.1 -53.0 -28.5 7.2 -9.9 3.1 76 778 B K H 3<5S+ 0 0 115 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.803 117.1 38.4 -78.1 -26.2 7.2 -13.1 5.3 77 779 B N H <<5S- 0 0 107 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.235 112.1-118.6-104.1 12.2 7.2 -15.2 2.1 78 780 B R T <5 + 0 0 116 -4,-0.7 3,-0.4 -3,-0.5 -3,-0.2 0.927 67.8 142.0 51.6 44.4 9.6 -12.8 0.2 79 781 B Y S S- 0 0 30 1,-0.3 4,-1.0 -56,-0.2 5,-0.4 -0.796 90.5 -75.7-147.1-170.1 12.6 -5.8 -4.5 83 785 B K H >> S+ 0 0 61 -2,-0.2 4,-2.0 -65,-0.2 3,-1.3 0.814 116.0 5.0 -63.9-113.3 12.3 -2.2 -5.6 84 786 B K H 3> S+ 0 0 123 -66,-0.3 4,-3.0 1,-0.3 5,-0.3 0.779 121.1 77.4 -46.3 -24.5 9.0 -1.3 -7.3 85 787 B L H 3> S+ 0 0 80 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.968 109.5 22.9 -52.4 -55.1 7.9 -4.9 -6.5 86 788 B F H S+ 0 0 65 -4,-2.3 4,-3.6 -5,-0.4 5,-0.7 0.975 102.2 51.3 -62.9 -52.2 -0.9 1.1 -4.7 93 795 B V H X5S+ 0 0 1 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.864 117.9 41.5 -53.6 -34.3 -2.7 0.8 -1.4 94 796 B F H X5S+ 0 0 2 -4,-1.8 4,-1.3 -5,-0.2 -2,-0.2 0.924 122.1 36.9 -80.9 -46.9 -1.9 4.5 -0.9 95 797 B T H X5S+ 0 0 44 -4,-3.6 4,-1.3 -5,-0.2 -3,-0.2 0.888 121.1 44.7 -76.0 -37.8 -2.6 5.8 -4.5 96 798 B N H X5S+ 0 0 0 -4,-3.6 4,-0.6 -5,-0.3 5,-0.3 0.938 111.6 51.7 -73.8 -43.5 -5.6 3.5 -5.2 97 799 B C H >X S+ 0 0 147 3,-0.0 4,-0.6 -4,-0.0 -5,-0.0 0.560 132.6 38.8-137.6 -44.8 -11.3 9.9 6.9 107 809 B Y H >> S+ 0 0 69 2,-0.2 4,-1.6 1,-0.1 3,-0.7 0.922 108.3 59.9 -81.0 -46.0 -9.4 7.6 4.6 108 810 B Y H 3> S+ 0 0 66 -6,-0.3 4,-3.1 1,-0.2 5,-0.3 0.895 95.2 65.9 -49.1 -43.6 -7.0 10.2 3.1 109 811 B K H 3> S+ 0 0 88 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.932 107.5 39.2 -47.8 -50.3 -5.6 11.0 6.5 110 812 B C H S+ 0 0 16 -3,-0.7 4,-2.5 -4,-0.6 5,-0.5 0.997 116.8 46.9 -65.4 -62.8 -4.1 7.5 6.8 111 813 B A H X5S+ 0 0 0 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.848 115.8 50.8 -49.5 -30.8 -2.9 7.1 3.2 112 814 B N H X5S+ 0 0 62 -4,-3.1 4,-1.8 -5,-0.3 -1,-0.2 0.981 115.5 38.2 -72.6 -55.6 -1.5 10.7 3.6 113 815 B I H >X5S+ 0 0 57 -4,-2.8 4,-3.3 -5,-0.3 3,-0.8 0.989 119.8 46.1 -59.2 -60.4 0.4 10.0 6.9 114 816 B L H 3X5S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.3 5,-0.4 0.939 113.4 50.1 -49.0 -50.0 1.5 6.5 6.0 115 817 B E H 3< S+ 0 0 70 -5,-0.4 4,-3.8 -4,-0.4 5,-0.4 0.977 90.4 53.8 -57.9 -56.1 8.6 7.8 2.5 120 822 B S H X S+ 0 0 61 -4,-1.0 4,-1.5 -3,-0.5 -1,-0.2 0.838 114.4 44.5 -49.7 -32.1 11.6 8.8 4.6 121 823 B K H X S+ 0 0 83 -4,-0.8 4,-3.3 -3,-0.3 5,-0.2 0.948 116.8 41.0 -80.1 -51.4 12.4 5.0 4.9 122 824 B I H X>S+ 0 0 0 -4,-2.8 5,-4.3 2,-0.2 4,-1.6 0.875 117.1 51.5 -66.1 -32.0 11.8 3.9 1.3 123 825 B K H <5S+ 0 0 70 -4,-3.8 6,-0.2 -5,-0.3 -1,-0.2 0.952 118.6 35.6 -69.4 -45.7 13.6 7.1 0.1 124 826 B E H <5S+ 0 0 144 -4,-1.5 -2,-0.2 -5,-0.4 -1,-0.2 0.839 115.5 57.3 -75.7 -30.6 16.6 6.5 2.4 125 827 B A H <5S- 0 0 38 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.828 121.8-105.3 -69.6 -29.1 16.3 2.7 1.8 126 828 B G T <5S+ 0 0 20 -4,-1.6 -3,-0.2 -5,-0.2 -107,-0.2 0.669 89.7 112.9 110.4 26.2 16.6 3.2 -2.0 127 829 B L S