==== 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 DNA/ANTIBIOTIC 10-SEP-03 1UNJ . COMPND 2 MOLECULE: 5'-D(*TP*TP*AP*GP*BRU*TP)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR E.C.ALEXOPOULOS,R.KLEMENT,E.A.JARES-ERIJMAN,I.USON,T.M.JOVIN . 80 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7825.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 20.0 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 1.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 5.0 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+4), 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 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 0 0 0 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 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 . 8 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 1 E T > 0 0 85 0, 0.0 3,-0.8 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 153.7 9.4 61.2 50.3 2 2 E X B 3 -A 8 0A 80 6,-2.4 6,-3.1 1,-0.3 2,-0.1 -0.735 360.0 -64.0 87.8-115.2 6.7 59.1 51.9 3 3 E P T 3 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.371 131.6 22.4 -84.8 145.9 5.2 58.2 49.6 4 4 E X < 0 0 35 -3,-0.8 4,-0.0 -2,-0.1 0, 0.0 0.544 360.0 360.0-116.5-154.4 4.5 60.8 49.0 5 5 E X 0 0 168 -2,-0.1 -3,-0.3 -3,-0.1 0, 0.0 0.939 360.0 360.0 51.3 360.0 5.8 64.2 49.8 6 ! 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 7 7 E T 0 0 80 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 158.7 9.4 56.1 49.2 8 8 E X B -A 2 0A 83 -6,-3.1 -6,-2.4 3,-0.3 2,-0.1 -0.624 360.0 -71.2 77.0-106.2 10.9 57.0 52.6 9 9 E P S S+ 0 0 97 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.537 128.5 29.6 -81.9 165.3 13.3 58.2 51.7 10 10 E X 0 0 71 -3,-0.4 -2,-0.1 -2,-0.1 -8,-0.0 0.571 360.0 360.0 -96.8-174.9 14.8 56.0 50.7 11 11 E X 0 0 177 -4,-0.2 -3,-0.3 -2,-0.1 0, 0.0 0.963 360.0 360.0 51.9 360.0 13.0 53.0 49.3 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 1 F T 0 0 79 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-177.5 -7.6 63.8 47.0 14 2 F X B -B 20 0B 78 6,-2.0 6,-1.5 3,-0.5 3,-0.1 -0.477 360.0 -75.2 64.8-122.6 -5.3 66.1 48.9 15 3 F P S S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.469 129.1 29.2 -88.7 156.7 -2.8 66.4 47.6 16 4 F X 0 0 51 -3,-0.2 -2,-0.1 -2,-0.1 0, 0.0 0.543 360.0 360.0-102.5 174.8 -1.7 64.0 48.2 17 5 F X 0 0 157 -4,-0.2 -3,-0.5 -2,-0.1 0, 0.0 0.865 360.0 360.0 57.0 360.0 -4.1 61.1 48.7 18 ! 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 19 7 F T 0 0 80 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 167.7 -7.3 67.8 45.1 20 8 F X B -B 14 0B 76 -6,-1.5 -6,-2.0 3,-0.4 2,-0.1 -0.671 360.0 -73.8 72.1-121.6 -10.1 67.5 47.6 21 9 F P S S+ 0 0 110 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.341 131.2 30.6 -79.2 139.2 -12.3 66.0 46.6 22 10 F X 0 0 69 -3,-0.4 -2,-0.1 -2,-0.1 -8,-0.0 0.614 360.0 360.0-117.5-169.3 -12.9 68.0 45.0 23 11 F X 0 0 180 -4,-0.2 -3,-0.4 -3,-0.1 0, 0.0 0.724 360.0 360.0 54.1 360.0 -10.7 70.7 43.5 24 !* 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 25 1 K T > 0 0 82 0, 0.0 3,-0.7 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 154.1 -26.4 61.0 39.6 26 2 K X B 3 -C 32 0C 82 6,-1.6 6,-2.2 1,-0.3 2,-0.1 -0.761 360.0 -67.0 90.6-118.9 -29.3 63.1 38.1 27 3 K P T 3 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.427 132.1 25.7 -81.7 142.3 -30.8 64.1 40.3 28 4 K X < 0 0 35 -3,-0.7 4,-0.0 -2,-0.1 -2,-0.0 0.587 360.0 360.0-119.6-166.5 -31.6 61.5 40.9 29 5 K X 0 0 168 -2,-0.1 -3,-0.2 -3,-0.1 3,-0.0 0.999 360.0 360.0 52.5 360.0 -30.0 58.1 40.3 30 ! 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 31 7 K T 0 0 77 0, 0.0 3,-0.5 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 154.5 -26.3 65.9 40.3 32 8 K X B -C 26 0C 89 -6,-2.2 -6,-1.6 1,-0.3 2,-0.1 -0.680 360.0 -67.1 81.7-108.3 -24.7 64.6 37.1 33 9 K P S S+ 0 0 99 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.537 129.4 30.9 -79.6 164.3 -22.3 63.4 38.2 34 10 K X 0 0 68 -3,-0.5 -8,-0.1 -2,-0.1 0, 0.0 0.619 360.0 360.0 -99.1-169.6 -20.9 65.7 39.1 35 11 K X 0 0 180 -2,-0.1 -3,-0.2 -3,-0.1 0, 0.0 0.967 360.0 360.0 44.4 360.0 -22.6 68.8 40.4 36 !* 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 37 1 L T 0 0 83 0, 0.0 3,-0.4 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 171.4 -43.4 59.1 43.3 38 2 L X B -D 44 0D 76 6,-2.1 6,-2.2 3,-0.5 3,-0.1 -0.684 360.0 -74.3 74.9-125.6 -41.0 56.6 41.7 39 3 L P S S+ 0 0 110 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.403 130.9 22.8 -81.6 145.8 -38.7 56.3 43.2 40 4 L X 0 0 46 -3,-0.4 4,-0.1 -2,-0.1 0, 0.0 0.609 360.0 360.0-106.3-165.6 -37.9 58.8 42.3 41 5 L X 0 0 155 -4,-0.1 -3,-0.5 -3,-0.1 0, 0.0 0.827 360.0 360.0 56.0 360.0 -40.1 61.6 41.0 42 ! 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 43 7 L T 0 0 80 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 163.6 -43.1 54.9 45.6 44 8 L X B -D 38 0D 82 -6,-2.2 -6,-2.1 3,-0.4 2,-0.1 -0.693 360.0 -72.2 79.0-121.9 -45.8 55.1 43.0 45 9 L P S S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.506 131.2 34.8 -79.1 140.2 -47.9 56.8 43.8 46 10 L X 0 0 68 -3,-0.4 -2,-0.1 -2,-0.1 -8,-0.0 0.577 360.0 360.0-122.3-172.9 -48.7 54.9 45.6 47 11 L X 0 0 179 -4,-0.2 -3,-0.4 -3,-0.1 0, 0.0 0.834 360.0 360.0 55.4 360.0 -46.6 52.5 47.6 48 !* 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 49 1 Q T > 0 0 86 0, 0.0 3,-0.5 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 160.5 26.9 31.2 51.2 50 2 Q X B 3 -E 56 0E 77 6,-1.8 6,-1.9 3,-0.3 2,-0.1 -0.725 360.0 -66.8 88.4-118.4 24.0 29.3 52.9 51 3 Q P T 3 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.463 132.0 20.8 -78.2 145.1 22.3 28.2 50.8 52 4 Q X < 0 0 36 -3,-0.5 4,-0.1 -2,-0.1 -2,-0.0 0.680 360.0 360.0-111.0-163.0 21.6 30.9 50.1 53 5 Q X 0 0 171 -4,-0.1 -3,-0.3 -3,-0.1 0, 0.0 0.982 360.0 360.0 53.6 360.0 23.2 34.2 50.8 54 ! 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 55 7 Q T 0 0 79 0, 0.0 3,-0.4 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 159.3 27.0 26.3 50.7 56 8 Q X B -E 50 0E 90 -6,-1.9 -6,-1.8 3,-0.3 2,-0.1 -0.685 360.0 -70.4 79.1-112.6 28.8 27.6 53.8 57 9 Q P S S+ 0 0 95 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.499 130.0 33.4 -78.3 159.6 31.1 28.9 52.8 58 10 Q X 0 0 68 -3,-0.4 -2,-0.0 -2,-0.1 0, 0.0 0.610 360.0 360.0 -93.7-170.0 32.6 26.7 51.9 59 11 Q X 0 0 178 -2,-0.1 -3,-0.3 -3,-0.1 0, 0.0 0.873 360.0 360.0 45.0 360.0 30.9 23.6 50.5 60 !* 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 61 1 R T 0 0 80 0, 0.0 3,-0.4 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 170.7 9.5 32.9 47.8 62 2 R X B -F 68 0F 80 6,-2.6 6,-2.2 3,-0.4 3,-0.1 -0.698 360.0 -72.5 75.1-122.5 11.7 35.4 49.5 63 3 R P S S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.369 130.1 21.8 -84.8 150.6 14.0 35.8 47.9 64 4 R X 0 0 49 -3,-0.4 4,-0.1 -2,-0.1 0, 0.0 0.539 360.0 360.0-100.6-161.7 15.0 33.3 48.5 65 5 R X 0 0 158 -2,-0.1 -3,-0.4 -3,-0.1 3,-0.0 0.932 360.0 360.0 53.8 360.0 12.9 30.4 49.8 66 ! 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 67 7 R T 0 0 77 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 171.1 9.8 36.9 45.5 68 8 R X B -F 62 0F 76 -6,-2.2 -6,-2.6 3,-0.4 2,-0.1 -0.703 360.0 -74.0 78.0-121.9 7.1 36.8 48.1 69 9 R P S S+ 0 0 104 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.469 131.9 30.9 -79.1 138.8 5.0 35.0 47.3 70 10 R X 0 0 67 -3,-0.4 -2,-0.1 -2,-0.1 -8,-0.0 0.643 360.0 360.0-117.3-171.4 4.2 37.0 45.5 71 11 R X 0 0 177 -4,-0.3 -3,-0.4 -3,-0.1 0, 0.0 0.752 360.0 360.0 53.8 360.0 6.4 39.5 43.7 72 !* 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 73 1 W T > 0 0 83 0, 0.0 3,-0.5 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 159.4 -8.9 30.3 39.8 74 2 W X B 3 -G 80 0G 75 6,-2.2 6,-2.2 1,-0.3 2,-0.1 -0.701 360.0 -67.0 87.1-118.0 -11.6 32.3 38.2 75 3 W P T 3 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.464 131.5 23.4 -79.1 144.4 -13.4 33.3 40.3 76 4 W X < 0 0 33 -3,-0.5 4,-0.0 -2,-0.1 -2,-0.0 0.670 360.0 360.0-112.9-161.5 -14.2 30.7 40.8 77 5 W X 0 0 166 -4,-0.1 -3,-0.3 -3,-0.1 0, 0.0 0.994 360.0 360.0 52.7 360.0 -12.6 27.3 40.2 78 ! 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 79 7 W T 0 0 82 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 157.8 -8.7 35.2 40.6 80 8 W X B -G 74 0G 85 -6,-2.2 -6,-2.2 3,-0.3 2,-0.1 -0.596 360.0 -69.3 75.2-113.4 -7.1 33.9 37.4 81 9 W P S S+ 0 0 94 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.540 129.4 31.7 -81.3 162.8 -4.7 32.6 38.3 82 10 W X 0 0 69 -3,-0.4 -2,-0.1 -2,-0.1 -8,-0.0 0.609 360.0 360.0 -96.1-172.8 -3.1 34.8 39.2 83 11 W X 0 0 178 -4,-0.2 -3,-0.3 -2,-0.1 0, 0.0 0.940 360.0 360.0 48.8 360.0 -4.8 37.9 40.6 84 !* 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 85 1 X T 0 0 83 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 172.5 -26.2 28.8 43.1 86 2 X X B -H 92 0H 76 6,-2.1 6,-2.2 3,-0.5 3,-0.1 -0.663 360.0 -71.2 74.3-126.1 -23.9 26.2 41.5 87 3 X P S S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.427 130.4 18.1 -84.3 153.8 -21.6 25.8 43.1 88 4 X X 0 0 47 -3,-0.4 4,-0.1 -2,-0.1 -2,-0.0 0.648 360.0 360.0-100.5-166.7 -20.6 28.3 42.5 89 5 X X 0 0 153 -4,-0.2 -3,-0.5 -2,-0.1 3,-0.0 0.989 360.0 360.0 56.8 360.0 -22.6 31.2 41.1 90 ! 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 91 7 X T 0 0 78 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 168.4 -26.0 24.6 45.3 92 8 X X B -H 86 0H 82 -6,-2.2 -6,-2.1 3,-0.4 2,-0.1 -0.735 360.0 -72.8 77.1-119.0 -28.6 24.7 42.6 93 9 X P S S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.495 131.7 32.7 -77.4 141.7 -30.7 26.6 43.4 94 10 X X 0 0 71 -3,-0.4 -2,-0.1 -2,-0.1 -8,-0.0 0.646 360.0 360.0-118.4-178.1 -31.6 24.7 45.2 95 11 X X 0 0 178 -4,-0.2 -3,-0.4 -3,-0.1 0, 0.0 0.853 360.0 360.0 52.6 360.0 -29.5 22.1 47.1