==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTITUMOR PROTEIN/DNA 28-JUL-95 1TSR . COMPND 2 MOLECULE: DNA (5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR Y.CHO,S.GORINA,P.JEFFREY,N.PAVLETICH . 585 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27389.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 59.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 26.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 1 0.2 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 . 49 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 3 1 0 0 1 0 2 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 2 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 . 4 0 5 9 4 0 0 6 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 3 0 0 0 2 1 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 94 A S 0 0 57 0, 0.0 240,-0.2 0, 0.0 300,-0.1 0.000 360.0 360.0 360.0 171.1 75.5 21.8 80.6 2 95 A S - 0 0 12 238,-3.1 240,-0.1 1,-0.1 298,-0.0 -0.330 360.0-113.4 -55.4 128.4 74.7 19.7 77.7 3 96 A S - 0 0 89 74,-0.0 -1,-0.1 3,-0.0 284,-0.1 -0.355 38.4-175.8 -65.9 151.1 77.3 20.5 75.0 4 97 A V - 0 0 58 -3,-0.1 73,-0.1 282,-0.0 72,-0.0 -0.903 37.1 -71.9-141.1 162.8 76.1 22.3 71.9 5 98 A P - 0 0 32 0, 0.0 2,-0.1 0, 0.0 64,-0.0 -0.301 53.7-110.6 -62.7 139.6 77.7 23.4 68.7 6 99 A S + 0 0 76 1,-0.1 -3,-0.0 -2,-0.0 155,-0.0 -0.384 34.5 177.3 -68.3 144.1 80.1 26.2 69.0 7 100 A Q + 0 0 58 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.310 31.5 127.7-132.9 10.3 79.0 29.5 67.4 8 101 A K - 0 0 162 1,-0.1 2,-0.2 167,-0.1 -2,-0.0 -0.540 63.0-105.7 -79.1 140.2 81.8 32.0 68.2 9 102 A T + 0 0 82 -2,-0.2 2,-0.4 164,-0.1 166,-0.2 -0.336 39.5 172.5 -65.3 127.7 83.4 34.0 65.5 10 103 A Y B -A 174 0A 102 164,-2.8 164,-2.9 -2,-0.2 6,-0.1 -0.902 17.9-171.0-144.1 110.4 86.9 33.1 64.4 11 104 A Q > - 0 0 94 -2,-0.4 5,-2.9 162,-0.2 3,-0.3 0.783 33.3-163.6 -71.5 -29.3 88.5 34.7 61.5 12 105 A G T > 5 - 0 0 22 3,-0.2 3,-1.5 1,-0.2 161,-0.1 -0.006 42.7 -53.5 71.7 177.1 91.4 32.3 61.5 13 106 A S T 3 5S+ 0 0 101 1,-0.3 -1,-0.2 159,-0.3 160,-0.1 0.713 135.6 55.3 -63.6 -21.8 94.8 32.6 59.8 14 107 A Y T 3 5S- 0 0 63 158,-0.4 41,-3.1 -3,-0.3 42,-0.9 0.179 110.9-116.0 -97.4 12.5 93.1 33.2 56.4 15 108 A G T < 5 - 0 0 8 -3,-1.5 2,-0.4 39,-0.2 -3,-0.2 0.888 39.8-163.1 53.2 46.9 90.9 36.2 57.6 16 109 A F < + 0 0 2 -5,-2.9 2,-0.3 156,-0.2 38,-0.2 -0.492 19.4 161.2 -71.3 119.5 87.6 34.5 57.0 17 110 A R E -I 53 0B 66 36,-2.3 36,-3.4 -2,-0.4 2,-0.4 -0.899 32.0-129.5-130.0 155.0 84.7 36.8 56.9 18 111 A L E -I 52 0B 27 -2,-0.3 2,-0.3 34,-0.2 34,-0.2 -0.854 24.0-167.4-108.2 144.4 81.2 36.3 55.4 19 112 A G E -I 51 0B 12 32,-3.4 32,-2.3 -2,-0.4 2,-0.3 -0.808 2.9-160.4-127.4 171.3 79.6 38.7 53.0 20 113 A F - 0 0 20 -2,-0.3 2,-0.3 30,-0.2 30,-0.1 -0.962 27.2 -98.5-147.4 163.4 76.2 39.2 51.6 21 114 A L - 0 0 84 28,-0.4 2,-1.6 -2,-0.3 12,-0.6 -0.652 31.0-130.3 -83.2 138.4 74.4 40.8 48.7 22 115 A H + 0 0 180 -2,-0.3 -1,-0.1 1,-0.2 10,-0.1 -0.619 43.6 158.8 -91.5 84.0 72.9 44.2 49.4 23 116 A S - 0 0 50 -2,-1.6 3,-0.4 1,-0.2 -1,-0.2 0.639 34.2-140.7 -81.4 -22.0 69.4 43.5 48.0 24 117 A G - 0 0 35 9,-0.2 -1,-0.2 -3,-0.2 9,-0.0 -0.298 27.5 -86.3 85.4-178.2 67.3 46.1 49.7 25 118 A T + 0 0 24 7,-0.1 -1,-0.2 164,-0.1 165,-0.1 0.128 67.1 143.7-122.6 19.5 63.7 45.5 50.9 26 119 A A > - 0 0 52 -3,-0.4 3,-1.9 1,-0.1 160,-0.2 -0.167 66.9-102.5 -55.6 158.9 61.5 46.1 47.9 27 120 A K T 3 S+ 0 0 148 1,-0.3 159,-0.1 159,-0.1 -1,-0.1 0.680 117.3 62.7 -60.8 -17.0 58.5 43.8 47.7 28 121 A S T 3 S+ 0 0 107 157,-0.1 -1,-0.3 156,-0.1 -2,-0.1 0.535 73.4 125.9 -86.7 -6.0 60.2 41.6 45.1 29 122 A V < - 0 0 21 -3,-1.9 157,-0.5 1,-0.1 3,-0.2 -0.333 35.1-176.9 -63.9 135.3 63.1 40.5 47.2 30 123 A T S S+ 0 0 53 1,-0.4 13,-2.5 155,-0.1 2,-0.3 0.501 78.8 12.2-101.4 -18.6 63.7 36.7 47.6 31 124 A C E S+B 42 0A 15 11,-0.3 -1,-0.4 2,-0.0 2,-0.3 -0.864 70.4 170.0-164.9 124.4 66.6 37.0 50.0 32 125 A T E -B 41 0A 0 9,-3.2 9,-3.5 -2,-0.3 2,-0.5 -0.997 18.6-146.5-144.7 138.2 67.7 40.1 51.9 33 126 A Y E -B 40 0A 39 -12,-0.6 7,-0.3 -2,-0.3 -9,-0.2 -0.873 4.9-147.8-110.7 137.6 70.2 40.6 54.7 34 127 A S E >>> -B 39 0A 0 5,-3.9 5,-1.6 -2,-0.5 4,-1.5 -0.821 4.3-165.9-103.5 105.0 70.0 43.1 57.5 35 128 A P T 345S+ 0 0 91 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.806 89.8 53.6 -54.9 -33.0 73.5 44.2 58.6 36 129 A A T 345S+ 0 0 88 1,-0.2 -2,-0.0 3,-0.1 0, 0.0 0.718 118.7 33.9 -75.2 -20.9 72.1 45.8 61.8 37 130 A L T <45S- 0 0 44 -3,-1.3 -1,-0.2 2,-0.2 141,-0.2 0.522 98.9-132.5-107.0 -10.0 70.4 42.5 62.8 38 131 A N T <5 + 0 0 65 -4,-1.5 140,-2.8 1,-0.2 2,-0.4 0.853 66.1 137.9 53.1 37.9 73.1 40.3 61.4 39 132 A K E < -Bc 34 178A 15 -5,-1.6 -5,-3.9 138,-0.2 2,-0.4 -0.956 49.7-151.2-125.1 131.3 70.0 38.6 60.0 40 133 A M E -Bc 33 179A 2 138,-3.0 140,-2.1 -2,-0.4 2,-0.5 -0.781 9.8-160.4 -96.9 135.9 69.2 37.1 56.6 41 134 A F E +Bc 32 180A 0 -9,-3.5 -9,-3.2 -2,-0.4 2,-0.3 -0.961 22.1 163.3-115.4 129.8 65.6 37.1 55.4 42 135 A C E -Bc 31 181A 0 138,-2.2 140,-2.7 -2,-0.5 -11,-0.3 -0.960 35.2-112.0-145.4 165.2 64.7 34.7 52.7 43 136 A Q > - 0 0 52 -13,-2.5 3,-1.5 -2,-0.3 100,-0.4 -0.621 51.2 -84.2 -92.8 157.9 61.9 33.0 51.0 44 137 A L T 3 S- 0 0 48 1,-0.3 100,-0.2 -2,-0.2 -1,-0.1 -0.412 107.8 -4.8 -64.6 127.9 61.3 29.3 51.2 45 138 A A T 3 S+ 0 0 39 98,-2.4 -1,-0.3 1,-0.2 2,-0.2 0.476 102.4 125.7 70.1 6.7 63.3 27.3 48.7 46 139 A K < - 0 0 91 -3,-1.5 97,-0.4 97,-0.2 -1,-0.2 -0.569 69.5 -79.7 -97.9 162.5 64.8 30.3 46.9 47 140 A T - 0 0 39 -2,-0.2 -4,-0.2 95,-0.1 95,-0.2 -0.293 40.7-177.1 -60.2 134.8 68.4 31.2 46.2 48 141 A C E - J 0 141B 0 93,-1.5 93,-2.4 -6,-0.1 2,-0.2 -0.907 14.6-152.8-131.4 98.7 70.3 32.7 49.1 49 142 A P E - J 0 140B 19 0, 0.0 -28,-0.4 0, 0.0 2,-0.4 -0.572 9.8-168.4 -80.0 146.6 73.8 33.7 48.1 50 143 A V E - J 0 139B 0 89,-2.5 89,-1.8 -2,-0.2 2,-0.5 -0.995 11.3-142.9-134.6 124.0 76.5 33.7 50.8 51 144 A Q E -IJ 19 138B 18 -32,-2.3 -32,-3.4 -2,-0.4 2,-0.5 -0.770 2.0-151.2 -96.2 128.2 79.9 35.2 50.3 52 145 A L E -IJ 18 137B 3 85,-3.1 85,-2.1 -2,-0.5 2,-0.4 -0.833 12.2-167.3 -96.7 127.4 83.1 33.9 51.6 53 146 A W E +I 17 0B 80 -36,-3.4 -36,-2.3 -2,-0.5 2,-0.3 -0.933 11.1 172.2-112.7 131.3 85.8 36.5 52.2 54 147 A V - 0 0 32 -2,-0.4 -39,-0.2 -38,-0.2 -38,-0.1 -0.975 29.3-152.5-139.6 148.5 89.3 35.4 52.8 55 148 A D S S+ 0 0 120 -41,-3.1 2,-0.3 -2,-0.3 -40,-0.2 0.607 90.7 17.2 -94.7 -19.4 92.6 37.4 53.1 56 149 A S S S- 0 0 52 -42,-0.9 -1,-0.3 0, 0.0 0, 0.0 -0.940 98.2 -95.2-147.5 146.9 94.8 34.6 51.9 57 150 A T - 0 0 94 -2,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 -0.533 39.2-121.9 -75.0 134.1 93.6 31.5 50.1 58 151 A P - 0 0 13 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.167 37.9 -88.1 -65.3 165.3 93.0 28.5 52.3 59 152 A P > - 0 0 47 0, 0.0 3,-1.1 0, 0.0 2,-0.2 -0.065 55.2 -79.9 -64.8 172.0 94.9 25.2 51.6 60 153 A P T 3 S+ 0 0 125 0, 0.0 107,-0.4 0, 0.0 3,-0.1 -0.535 115.7 36.8 -80.3 146.1 93.7 22.7 49.2 61 154 A G T 3 S+ 0 0 44 1,-0.3 104,-0.1 66,-0.2 2,-0.0 0.363 81.3 155.1 96.7 -2.6 91.0 20.3 50.4 62 155 A T < - 0 0 3 -3,-1.1 65,-3.9 65,-0.1 -1,-0.3 -0.339 24.8-161.4 -61.8 134.1 89.4 23.1 52.3 63 156 A R E -DE 126 165A 55 102,-2.9 102,-2.5 63,-0.3 2,-0.5 -0.846 12.4-142.8-119.8 154.1 85.7 22.6 52.9 64 157 A V E -DE 125 164A 0 61,-2.5 61,-1.5 -2,-0.3 2,-0.4 -0.981 21.7-170.4-122.6 120.4 82.9 25.0 53.8 65 158 A R E -DE 124 163A 29 98,-2.8 98,-3.0 -2,-0.5 2,-0.4 -0.895 9.1-161.0-118.2 141.8 80.2 23.8 56.1 66 159 A A E +DE 123 162A 0 57,-2.4 57,-1.8 -2,-0.4 2,-0.3 -0.942 12.0 172.1-122.4 142.0 76.9 25.2 57.2 67 160 A M E - E 0 161A 35 94,-1.6 94,-3.6 -2,-0.4 2,-0.4 -0.996 21.1-142.7-146.4 138.1 74.8 24.3 60.2 68 161 A A E + E 0 160A 11 53,-0.4 12,-0.6 -2,-0.3 2,-0.3 -0.850 22.9 173.1-103.1 137.0 71.7 25.7 61.7 69 162 A I E -FE 79 159A 0 90,-1.8 90,-2.6 -2,-0.4 2,-0.2 -0.969 41.0 -95.0-135.8 153.0 71.2 25.8 65.5 70 163 A Y E - E 0 158A 1 8,-0.6 88,-0.3 -2,-0.3 5,-0.1 -0.488 28.8-141.5 -69.0 140.6 68.5 27.5 67.6 71 164 A K S S+ 0 0 87 86,-3.0 2,-0.2 -2,-0.2 87,-0.1 0.856 76.7 78.4 -68.3 -39.8 69.6 30.9 68.7 72 165 A Q S >> S- 0 0 66 85,-0.5 3,-1.5 1,-0.1 4,-0.7 -0.476 78.4-132.8 -74.7 140.7 68.0 30.8 72.2 73 166 A S G >4 S+ 0 0 76 1,-0.3 3,-0.8 2,-0.2 4,-0.3 0.870 104.0 63.9 -61.2 -34.8 69.8 28.9 75.0 74 167 A Q G 34 S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.1 165,-0.1 0.615 113.6 31.4 -64.3 -11.9 66.7 27.2 76.0 75 168 A H G X4 S+ 0 0 44 -3,-1.5 3,-2.3 -5,-0.1 -5,-0.3 0.342 84.5 107.3-126.1 -0.1 66.4 25.5 72.6 76 169 A M T << S+ 0 0 24 -3,-0.8 -6,-0.2 -4,-0.7 -2,-0.1 0.690 75.6 59.1 -55.2 -26.2 70.0 25.0 71.7 77 170 A T T 3 S+ 0 0 10 -4,-0.3 2,-0.5 -73,-0.1 -1,-0.3 0.529 87.4 96.5 -82.6 -6.2 69.9 21.3 72.4 78 171 A E S < S- 0 0 5 -3,-2.3 -8,-0.6 207,-0.1 2,-0.4 -0.732 77.6-128.8 -89.9 127.0 67.3 20.9 69.9 79 172 A V B -F 69 0A 3 205,-2.4 2,-0.4 -2,-0.5 -10,-0.1 -0.597 22.7-123.7 -75.4 127.0 68.4 19.9 66.4 80 173 A V + 0 0 7 -12,-0.6 41,-0.3 -2,-0.4 2,-0.3 -0.590 50.0 147.9 -74.9 128.0 67.1 22.1 63.7 81 174 A R - 0 0 51 -2,-0.4 19,-0.2 19,-0.1 72,-0.1 -0.961 49.8 -79.2-153.5 165.4 65.2 20.1 61.2 82 175 A R - 0 0 0 17,-2.3 63,-0.1 -2,-0.3 19,-0.1 -0.412 49.1-108.1 -71.3 148.3 62.3 20.4 58.9 83 176 A C > - 0 0 4 63,-0.1 4,-2.3 -2,-0.1 5,-0.3 -0.046 38.1-100.3 -63.1 171.1 58.8 20.1 60.3 84 177 A P H > S+ 0 0 39 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.952 121.3 56.9 -66.4 -44.7 57.0 16.9 59.4 85 178 A H H 4 S+ 0 0 118 1,-0.2 3,-0.1 2,-0.2 4,-0.1 0.943 113.4 42.5 -46.6 -53.8 54.9 18.4 56.6 86 179 A H H >4 S+ 0 0 24 1,-0.2 3,-2.9 2,-0.2 -1,-0.2 0.918 108.2 52.8 -62.6 -53.2 58.1 19.5 54.9 87 180 A E H 3< S+ 0 0 47 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.839 110.7 54.5 -52.5 -30.6 60.4 16.4 55.3 88 181 A R T 3< S+ 0 0 183 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.479 88.5 107.9 -80.2 -7.1 57.4 14.6 53.7 89 182 A C S < S- 0 0 41 -3,-2.9 2,-1.6 9,-0.2 3,-0.2 -0.440 76.0-126.4 -74.3 145.9 57.4 16.9 50.7 90 183 A S S S+ 0 0 129 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.726 71.7 119.4 -88.5 92.9 58.5 15.8 47.4 91 184 A D + 0 0 47 -2,-1.6 -1,-0.2 -4,-0.2 2,-0.1 0.101 32.6 148.1-142.1 21.7 61.0 18.6 47.0 92 185 A S - 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