==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 20-AUG-11 3TII . COMPND 2 MOLECULE: TTL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS (SILURANA) TROPICALIS; . AUTHOR A.ROLL-MECAK,A.SZYK,A.DEACONESCU,G.PISZCZEK . 624 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28363.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 413 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 63 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 1 1 0 1 1 0 3 4 0 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 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 . 3 3 7 2 2 2 2 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 2 2 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 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 -2 A G 0 0 36 0, 0.0 570,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 17.6 7.3 -7.1 38.3 2 -1 A S + 0 0 43 568,-0.3 2,-0.3 1,-0.2 569,-0.1 0.721 360.0 146.0 41.2 30.4 10.2 -9.6 38.4 3 0 A F - 0 0 18 571,-0.0 2,-0.6 569,-0.0 -1,-0.2 -0.701 43.5-136.8 -95.6 150.6 8.3 -11.8 35.9 4 1 A T - 0 0 76 -2,-0.3 373,-0.6 369,-0.2 26,-0.2 -0.909 14.0-157.9-113.6 116.9 10.0 -13.8 33.3 5 2 A Y E -a 30 0A 16 24,-2.3 26,-1.7 -2,-0.6 2,-0.3 -0.286 12.5-138.2 -80.0 166.1 8.5 -14.0 29.8 6 3 A T E -a 31 0A 4 24,-0.2 36,-1.9 371,-0.1 35,-1.7 -0.859 17.7-176.0-126.7 163.3 9.3 -16.8 27.3 7 4 A F E -ab 32 42A 1 24,-1.5 26,-3.2 -2,-0.3 2,-0.3 -0.987 16.7-147.2-161.5 149.4 10.1 -17.2 23.6 8 5 A V E - b 0 43A 0 34,-1.5 36,-2.4 -2,-0.3 2,-0.5 -0.856 13.7-146.3-113.5 150.6 10.7 -19.6 20.7 9 6 A V E + b 0 44A 9 24,-0.4 36,-0.2 -2,-0.3 3,-0.2 -0.967 22.3 168.6-119.0 110.7 13.0 -19.0 17.8 10 7 A R S S+ 0 0 72 34,-2.4 2,-0.4 -2,-0.5 35,-0.2 0.473 71.3 57.7 -99.6 -5.5 11.8 -20.6 14.5 11 8 A D > + 0 0 22 33,-0.9 3,-1.3 34,-0.1 -1,-0.2 -0.758 55.6 172.4-128.3 86.6 14.3 -18.8 12.3 12 9 A E T 3 S+ 0 0 76 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.725 75.8 61.2 -65.3 -21.2 17.8 -19.5 13.4 13 10 A N T 3 S+ 0 0 140 4,-0.0 2,-0.6 5,-0.0 -1,-0.2 0.235 72.5 105.4 -95.0 13.9 19.3 -17.8 10.3 14 11 A S <> - 0 0 4 -3,-1.3 4,-0.8 1,-0.2 5,-0.2 -0.847 50.0-166.0 -92.1 122.8 18.0 -14.2 10.9 15 12 A T H > S+ 0 0 78 -2,-0.6 4,-0.6 2,-0.2 -1,-0.2 0.714 89.0 55.0 -80.8 -18.9 20.8 -12.1 12.0 16 13 A V H > S+ 0 0 3 1,-0.2 4,-1.6 2,-0.1 -1,-0.2 0.877 118.3 32.8 -78.5 -36.4 18.4 -9.4 13.1 17 14 A Y H > S+ 0 0 12 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.407 109.9 61.9-100.0 -0.3 16.4 -11.8 15.3 18 15 A A H < S+ 0 0 48 -4,-0.8 -3,-0.2 2,-0.2 -1,-0.2 0.718 110.8 46.6 -87.4 -27.7 19.3 -14.0 16.4 19 16 A E H >X S+ 0 0 79 -4,-0.6 3,-2.6 -5,-0.2 4,-1.4 0.962 109.6 49.9 -73.1 -56.5 20.5 -10.7 17.8 20 17 A V H 3X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.3 5,-0.2 0.867 99.5 67.0 -50.5 -41.4 17.1 -9.8 19.4 21 18 A A H 3X S+ 0 0 9 -4,-1.0 4,-0.7 1,-0.2 -1,-0.3 0.690 108.7 41.4 -54.8 -18.2 17.0 -13.3 21.0 22 19 A K H <> S+ 0 0 65 -3,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.920 103.0 58.0 -92.8 -65.2 20.0 -12.0 23.0 23 20 A I H < S+ 0 0 52 -4,-1.4 4,-0.4 1,-0.3 -2,-0.2 0.722 106.4 59.1 -37.6 -28.7 19.3 -8.4 24.0 24 21 A L H >X S+ 0 0 5 -4,-1.6 3,-3.6 -5,-0.2 4,-0.5 0.997 103.1 46.1 -64.9 -68.2 16.2 -10.0 25.6 25 22 A L H >< S+ 0 0 88 -4,-0.7 3,-1.9 1,-0.3 -2,-0.2 0.820 102.6 70.4 -42.2 -35.7 18.3 -12.3 27.9 26 23 A A T 3< S+ 0 0 85 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.739 91.9 56.6 -56.7 -26.3 20.3 -9.2 28.6 27 24 A S T <4 S- 0 0 49 -3,-3.6 -1,-0.3 -4,-0.4 -2,-0.2 0.625 106.6-128.2 -81.8 -14.2 17.4 -7.7 30.6 28 25 A G S << S+ 0 0 62 -3,-1.9 -3,-0.1 -4,-0.5 -2,-0.1 0.890 87.8 89.9 68.8 39.9 17.3 -10.8 32.9 29 26 A Q + 0 0 18 -5,-0.5 -24,-2.3 1,-0.1 2,-0.4 0.277 67.4 76.5-147.7 10.4 13.6 -11.3 32.3 30 27 A W E -a 5 0A 16 -26,-0.2 2,-0.4 -6,-0.2 -24,-0.2 -0.965 50.4-166.4-130.0 145.4 13.3 -13.6 29.3 31 28 A K E -a 6 0A 45 -26,-1.7 -24,-1.5 -2,-0.4 2,-0.2 -0.982 17.7-136.7-133.9 121.6 13.9 -17.3 28.8 32 29 A R E -a 7 0A 138 -2,-0.4 -24,-0.2 -26,-0.2 2,-0.2 -0.559 24.5-162.7 -77.0 138.2 14.2 -19.1 25.4 33 30 A L - 0 0 37 -26,-3.2 -24,-0.4 -2,-0.2 2,-0.3 -0.463 35.8 -62.0-110.7-176.5 12.3 -22.3 25.0 34 31 A K > - 0 0 64 -2,-0.2 3,-4.0 1,-0.1 -1,-0.1 -0.520 51.6-115.0 -70.5 130.9 12.4 -25.3 22.6 35 32 A R T 3 S+ 0 0 40 1,-0.3 -1,-0.1 -2,-0.3 -27,-0.1 0.709 118.8 43.9 -35.4 -30.8 11.6 -24.2 19.0 36 33 A D T 3 S+ 0 0 129 -28,-0.0 -1,-0.3 -27,-0.0 -28,-0.1 0.547 82.0 118.4 -97.0 -8.9 8.5 -26.3 19.3 37 34 A N < - 0 0 53 -3,-4.0 3,-0.2 1,-0.2 -4,-0.1 -0.434 48.5-161.4 -63.4 120.5 7.4 -25.3 22.8 38 35 A P S S+ 0 0 67 0, 0.0 2,-0.3 0, 0.0 20,-0.2 0.477 71.9 88.1 -82.9 -1.5 3.9 -23.6 22.4 39 36 A K + 0 0 17 -32,-0.1 2,-0.2 339,-0.0 -2,-0.1 -0.091 63.7 130.1 -89.4 39.4 4.1 -21.9 25.9 40 37 A F - 0 0 11 -2,-0.3 -33,-0.2 -3,-0.2 3,-0.1 -0.634 48.4-163.4 -97.2 150.5 5.8 -18.8 24.4 41 38 A N S S+ 0 0 2 -35,-1.7 23,-2.8 1,-0.3 2,-0.4 0.808 86.7 33.7 -90.9 -40.0 4.9 -15.1 24.8 42 39 A L E -bc 7 64A 0 -36,-1.9 -34,-1.5 21,-0.2 2,-0.6 -0.967 67.6-163.6-122.9 128.0 7.0 -14.0 21.9 43 40 A M E -bc 8 65A 4 21,-3.1 23,-1.6 -2,-0.4 2,-1.4 -0.942 8.6-160.9-114.5 118.6 7.7 -15.9 18.7 44 41 A L E -b 9 0A 2 -36,-2.4 -34,-2.4 -2,-0.6 -33,-0.9 -0.757 37.0-165.2 -93.3 86.3 10.6 -14.9 16.4 45 42 A G - 0 0 2 -2,-1.4 -34,-0.1 -35,-0.2 2,-0.1 0.005 17.3 -77.1 -73.1 176.7 9.2 -16.7 13.4 46 43 A E - 0 0 33 3,-0.1 -1,-0.1 -36,-0.1 -35,-0.1 -0.383 38.2-112.4 -76.0 147.2 10.4 -17.9 10.0 47 44 A R S S+ 0 0 103 -2,-0.1 2,-0.3 2,-0.1 3,-0.2 0.871 97.1 5.7 -42.8 -54.6 10.9 -15.7 7.0 48 45 A N S S+ 0 0 101 1,-0.2 -2,-0.1 234,-0.0 -1,-0.1 -0.920 120.4 31.6-134.3 159.8 8.1 -17.3 5.0 49 46 A R S S+ 0 0 93 -2,-0.3 -1,-0.2 1,-0.2 -3,-0.1 0.990 71.5 176.6 55.5 68.7 5.4 -19.8 5.7 50 47 A L - 0 0 15 -3,-0.2 2,-2.0 -5,-0.1 3,-0.2 -0.869 37.4-116.5-104.9 137.3 5.0 -19.0 9.4 51 48 A P > + 0 0 24 0, 0.0 3,-1.4 0, 0.0 -1,-0.0 -0.418 49.9 155.2 -75.3 67.7 2.2 -20.9 11.3 52 49 A F G > + 0 0 24 -2,-2.0 3,-1.5 1,-0.3 17,-0.0 0.736 62.8 74.5 -65.0 -24.5 -0.1 -17.9 12.2 53 50 A G G 3 S+ 0 0 60 1,-0.3 -1,-0.3 -3,-0.2 -3,-0.0 0.685 92.7 54.0 -64.7 -16.6 -3.0 -20.3 12.5 54 51 A R G < S+ 0 0 146 -3,-1.4 3,-0.4 3,-0.0 2,-0.4 0.032 84.1 112.7-106.7 26.6 -1.7 -21.6 15.8 55 52 A L S < S+ 0 0 2 -3,-1.5 10,-0.0 1,-0.2 -3,-0.0 -0.825 73.3 15.4-104.9 138.6 -1.3 -18.3 17.6 56 53 A G S S+ 0 0 8 -2,-0.4 265,-0.2 198,-0.1 -1,-0.2 0.838 94.8 100.6 75.5 34.3 -3.4 -17.2 20.6 57 54 A H + 0 0 126 -3,-0.4 3,-0.2 2,-0.1 -2,-0.1 0.762 44.3 98.6-111.0 -54.4 -4.8 -20.6 21.5 58 55 A E S > S- 0 0 49 -4,-0.3 3,-2.1 -20,-0.2 -2,-0.0 -0.083 93.9 -94.6 -38.8 118.6 -2.7 -21.8 24.5 59 56 A P T 3 S- 0 0 39 0, 0.0 -1,-0.1 0, 0.0 263,-0.1 -0.105 100.3 -2.5 -46.3 124.2 -4.9 -21.0 27.5 60 57 A G T 3 S+ 0 0 2 261,-0.6 2,-0.5 1,-0.2 319,-0.4 0.467 95.9 133.8 74.6 2.1 -4.0 -17.6 29.1 61 58 A L < - 0 0 0 -3,-2.1 2,-0.7 317,-0.1 -1,-0.2 -0.754 43.3-157.0 -94.2 124.5 -1.1 -16.8 26.8 62 59 A V - 0 0 34 -2,-0.5 2,-0.4 315,-0.5 194,-0.1 -0.877 26.1-161.9 -93.6 120.7 -0.8 -13.4 25.3 63 60 A Q - 0 0 3 -2,-0.7 194,-3.7 192,-0.3 2,-0.4 -0.855 18.6-169.6-115.9 144.3 1.3 -13.9 22.2 64 61 A L E -cd 42 257A 0 -23,-2.8 -21,-3.1 -2,-0.4 2,-0.4 -0.985 5.4-168.3-128.1 135.0 3.4 -11.6 20.0 65 62 A V E -cd 43 258A 0 192,-1.7 194,-1.8 -2,-0.4 -21,-0.2 -0.952 27.3-127.8-124.1 146.3 5.0 -12.6 16.7 66 63 A N S S+ 0 0 0 -23,-1.6 195,-0.5 -2,-0.4 2,-0.3 -0.014 85.8 67.0 -84.2 30.6 7.5 -10.6 14.7 67 64 A Y S S- 0 0 20 193,-0.1 2,-0.6 -2,-0.1 193,-0.2 -0.990 72.5-133.6-150.3 140.8 5.5 -10.7 11.4 68 65 A Y > - 0 0 7 -2,-0.3 3,-2.2 190,-0.1 4,-0.2 -0.853 32.2-122.9 -93.9 118.3 2.3 -9.2 10.2 69 66 A R T 3 S+ 0 0 140 -2,-0.6 189,-0.0 1,-0.3 -2,-0.0 -0.402 99.0 21.3 -59.8 134.0 0.3 -11.9 8.4 70 67 A G T > S+ 0 0 36 -2,-0.1 3,-1.8 1,-0.0 -1,-0.3 0.416 83.6 121.9 88.1 -3.2 -0.5 -10.6 4.9 71 68 A A T X> + 0 0 4 -3,-2.2 3,-1.4 1,-0.3 4,-1.1 0.655 57.9 78.0 -67.8 -12.3 2.4 -8.1 4.9 72 69 A D H 3> S+ 0 0 72 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.643 73.1 81.0 -70.4 -10.9 3.8 -9.8 1.8 73 70 A K H <4 S+ 0 0 57 -3,-1.8 -1,-0.3 1,-0.2 10,-0.2 0.451 104.1 32.6 -71.3 -0.4 1.1 -7.9 -0.1 74 71 A L H <4 S+ 0 0 1 -3,-1.4 205,-0.3 9,-0.1 -1,-0.2 0.591 117.3 54.9-123.3 -29.8 3.5 -5.0 0.1 75 72 A C H < S+ 0 0 13 -4,-1.1 2,-0.5 203,-0.1 204,-0.3 0.704 88.9 79.0 -83.1 -25.4 6.8 -6.9 -0.1 76 73 A R S X S- 0 0 89 -4,-2.2 4,-3.3 1,-0.1 5,-0.3 -0.766 77.9-134.2 -90.3 130.2 6.3 -8.9 -3.2 77 74 A K H > S+ 0 0 33 56,-0.9 4,-2.0 -2,-0.5 5,-0.2 0.906 103.9 45.6 -42.8 -62.5 6.9 -7.0 -6.4 78 75 A A H > S+ 0 0 16 1,-0.2 4,-1.9 78,-0.2 -1,-0.2 0.927 116.4 47.2 -52.0 -48.7 3.9 -8.2 -8.3 79 76 A S H > S+ 0 0 47 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.919 107.0 55.6 -58.7 -48.4 1.7 -7.6 -5.2 80 77 A L H X S+ 0 0 4 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.865 108.3 51.1 -53.4 -38.6 3.1 -4.2 -4.5 81 78 A V H X S+ 0 0 2 -4,-2.0 4,-1.9 -5,-0.3 3,-0.2 0.942 110.8 45.3 -64.8 -50.5 2.1 -3.2 -8.1 82 79 A K H X S+ 0 0 51 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.862 110.0 57.1 -60.2 -38.5 -1.5 -4.5 -7.8 83 80 A L H X S+ 0 0 34 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.856 109.2 44.4 -63.0 -37.5 -1.8 -2.8 -4.4 84 81 A I H < S+ 0 0 22 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.829 117.6 44.3 -77.3 -31.9 -0.9 0.6 -5.9 85 82 A K H < S+ 0 0 96 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.659 115.3 52.4 -84.3 -18.1 -3.3 0.1 -8.9 86 83 A T H < S+ 0 0 69 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.1 0.939 93.8 61.6 -79.5 -85.8 -6.0 -1.3 -6.6 87 84 A S S >< S- 0 0 30 -4,-0.8 3,-0.6 1,-0.2 157,-0.0 -0.167 76.8-138.0 -47.3 128.1 -6.7 1.2 -3.8 88 85 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.722 98.0 69.1 -62.0 -25.1 -7.9 4.5 -5.2 89 86 A E T 3 0 0 66 3,-0.1 -5,-0.1 151,-0.0 -2,-0.1 0.934 360.0 360.0 -60.5 -46.6 -5.8 6.4 -2.7 90 87 A L < 0 0 21 -3,-0.6 -5,-0.1 -7,-0.2 -6,-0.1 0.359 360.0 360.0 -69.9 360.0 -2.6 5.3 -4.4 91 ! 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 92 90 A T 0 0 119 0, 0.0 2,-1.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 10.9 -1.4 10.0 -6.4 93 91 A C + 0 0 32 1,-0.2 3,-0.2 -9,-0.1 -3,-0.1 -0.677 360.0 144.8 -90.0 90.2 1.6 7.7 -6.7 94 92 A T S S+ 0 0 87 -2,-1.4 -1,-0.2 1,-0.2 0, 0.0 0.561 70.9 61.5 -94.7 -16.7 4.1 9.9 -8.5 95 93 A W S S+ 0 0 25 -3,-0.3 181,-3.1 180,-0.1 -1,-0.2 0.375 87.8 85.5 -92.3 2.8 6.9 8.2 -6.5 96 94 A F S S- 0 0 21 179,-0.2 3,-0.1 -3,-0.2 181,-0.1 -0.902 82.1-119.1-113.0 117.2 6.2 4.7 -7.9 97 95 A P - 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