==== 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 11-JUL-95 1TUP . COMPND 2 MOLECULE: DNA (5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR Y.CHO,S.GORINA,P.D.JEFFREY,N.P.PAVLETICH . 585 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 59.8 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 . 156 26.7 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 4 9 5 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 0.000 360.0 360.0 360.0 171.3 75.6 21.8 80.7 2 95 A S - 0 0 12 238,-3.1 240,-0.1 1,-0.1 298,-0.0 -0.343 360.0-113.5 -55.7 128.8 74.7 19.7 77.7 3 96 A S - 0 0 87 74,-0.0 -1,-0.1 3,-0.0 284,-0.1 -0.356 38.4-176.1 -66.4 150.5 77.3 20.5 75.0 4 97 A V - 0 0 57 -3,-0.1 73,-0.1 282,-0.0 2,-0.0 -0.894 37.3 -71.1-140.5 163.8 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 -0.313 53.6-110.8 -63.5 139.7 77.7 23.4 68.7 6 99 A S + 0 0 77 1,-0.1 -3,-0.0 -2,-0.0 155,-0.0 -0.391 34.8 176.8 -68.2 143.7 80.1 26.2 69.0 7 100 A Q + 0 0 59 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.302 31.4 127.3-133.2 10.4 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 -0.547 63.3-104.9 -79.6 141.2 81.8 32.0 68.2 9 102 A T + 0 0 81 -2,-0.2 2,-0.4 164,-0.1 166,-0.2 -0.334 39.8 172.2 -65.5 128.1 83.4 34.0 65.5 10 103 A Y B -A 174 0A 101 164,-2.8 164,-2.9 -2,-0.2 6,-0.1 -0.901 17.8-171.2-144.6 110.4 86.9 33.1 64.4 11 104 A Q > - 0 0 93 -2,-0.4 5,-2.9 162,-0.2 3,-0.3 0.783 33.1-163.9 -72.0 -29.4 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 -0.016 42.8 -53.1 71.9 177.9 91.4 32.3 61.5 13 106 A S T 3 5S+ 0 0 99 159,-0.3 -1,-0.2 1,-0.3 160,-0.1 0.714 135.6 55.2 -64.7 -21.4 94.8 32.6 59.8 14 107 A Y T 3 5S- 0 0 62 158,-0.4 41,-3.0 -3,-0.3 42,-0.9 0.176 110.8-116.3 -97.6 12.8 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 0.890 39.7-162.9 52.6 46.8 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 -0.483 19.4 161.6 -70.9 120.0 87.6 34.5 57.0 17 110 A R E -I 53 0B 66 36,-2.4 36,-3.3 -2,-0.4 2,-0.4 -0.897 31.7-129.7-130.1 155.4 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 -0.861 24.0-168.2-108.5 144.0 81.2 36.3 55.4 19 112 A G E -I 51 0B 12 32,-3.3 32,-2.2 -2,-0.4 2,-0.3 -0.792 3.0-160.1-128.8 170.8 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 -0.966 27.2 -98.0-146.1 164.0 76.2 39.2 51.6 21 114 A L - 0 0 85 28,-0.4 2,-1.6 -2,-0.3 12,-0.6 -0.657 31.1-130.3 -83.3 138.9 74.4 40.8 48.7 22 115 A H + 0 0 182 -2,-0.3 10,-0.1 1,-0.2 -1,-0.1 -0.634 43.5 159.1 -92.0 84.4 72.9 44.2 49.4 23 116 A S - 0 0 50 -2,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.644 34.2-140.6 -81.2 -23.0 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 -0.307 27.4 -86.5 86.1-178.3 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 0.126 67.2 143.7-122.3 18.9 63.7 45.5 50.9 26 119 A A > - 0 0 52 -3,-0.3 3,-1.9 1,-0.1 160,-0.2 -0.161 66.7-102.5 -55.5 158.4 61.5 46.1 47.9 27 120 A K T 3 S+ 0 0 147 1,-0.3 159,-0.2 159,-0.1 -1,-0.1 0.690 117.3 62.4 -59.9 -17.4 58.5 43.8 47.7 28 121 A S T 3 S+ 0 0 108 157,-0.1 -1,-0.3 156,-0.1 -2,-0.1 0.537 73.4 126.2 -87.0 -5.0 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 -0.334 35.0-176.5 -64.1 135.6 63.1 40.5 47.2 30 123 A T S S+ 0 0 54 1,-0.4 13,-2.5 155,-0.1 2,-0.3 0.502 78.8 12.2-101.3 -18.4 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 70.4 169.9-165.4 124.7 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 18.5-146.5-145.1 138.4 67.7 40.1 51.9 33 126 A Y E -B 40 0A 40 -12,-0.6 7,-0.3 -2,-0.3 -9,-0.2 -0.878 4.8-147.9-111.4 136.5 70.2 40.6 54.7 34 127 A S E >>> -B 39 0A 0 5,-4.0 5,-1.6 -2,-0.5 4,-1.6 -0.818 4.2-165.8-102.6 105.3 70.0 43.1 57.5 35 128 A P T 345S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.801 90.0 53.4 -54.7 -32.6 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 0.731 118.7 34.0 -76.0 -21.6 72.1 45.8 61.8 37 130 A L T <45S- 0 0 43 -3,-1.2 -1,-0.2 2,-0.2 141,-0.2 0.546 98.9-132.8-105.6 -10.5 70.4 42.5 62.8 38 131 A N T <5 + 0 0 65 -4,-1.6 140,-2.9 1,-0.2 2,-0.4 0.861 65.9 137.9 53.5 38.2 73.1 40.2 61.4 39 132 A K E < -Bc 34 178A 15 -5,-1.6 -5,-4.0 138,-0.2 2,-0.4 -0.962 49.8-151.2-125.5 131.1 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 9.9-160.4 -96.6 135.9 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 -0.963 22.0 163.9-115.6 128.7 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 35.1-112.5-144.7 164.3 64.7 34.6 52.7 43 136 A Q > - 0 0 51 -13,-2.5 3,-1.6 -2,-0.3 100,-0.4 -0.619 51.2 -84.4 -91.9 156.6 61.9 33.0 50.9 44 137 A L T 3 S- 0 0 47 1,-0.3 100,-0.2 -2,-0.2 -1,-0.1 -0.405 107.8 -4.5 -63.5 128.8 61.3 29.3 51.2 45 138 A A T 3 S+ 0 0 40 98,-2.4 -1,-0.3 1,-0.2 2,-0.2 0.485 102.4 125.4 68.4 9.2 63.3 27.3 48.7 46 139 A K < - 0 0 91 -3,-1.6 97,-0.4 97,-0.2 -1,-0.2 -0.578 69.5 -79.2 -99.4 163.3 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 -0.297 40.7-177.1 -60.4 135.1 68.4 31.2 46.2 48 141 A C E - J 0 141B 0 93,-1.5 93,-2.5 -6,-0.1 2,-0.2 -0.907 14.5-152.9-131.7 98.8 70.4 32.7 49.1 49 142 A P E - J 0 140B 18 0, 0.0 -28,-0.4 0, 0.0 2,-0.4 -0.572 9.9-168.9 -80.0 146.4 73.8 33.7 48.2 50 143 A V E - J 0 139B 0 89,-2.4 89,-1.9 -2,-0.2 2,-0.5 -0.995 11.3-143.3-134.9 124.0 76.5 33.7 50.8 51 144 A Q E -IJ 19 138B 18 -32,-2.2 -32,-3.3 -2,-0.4 2,-0.5 -0.774 1.6-150.9 -96.3 128.5 79.9 35.2 50.2 52 145 A L E -IJ 18 137B 3 85,-3.2 85,-2.2 -2,-0.5 2,-0.4 -0.833 12.3-167.3 -97.0 128.5 83.1 33.9 51.6 53 146 A W E +I 17 0B 80 -36,-3.3 -36,-2.4 -2,-0.5 2,-0.3 -0.938 11.1 172.4-113.4 131.0 85.8 36.6 52.2 54 147 A V - 0 0 32 -2,-0.4 -39,-0.2 -38,-0.2 -38,-0.1 -0.973 29.4-152.2-139.8 148.6 89.3 35.4 52.8 55 148 A D S S+ 0 0 119 -41,-3.0 2,-0.3 -2,-0.3 -40,-0.2 0.602 90.8 17.2 -94.9 -19.2 92.5 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 -0.941 98.0 -95.3-147.8 147.0 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 -0.532 39.3-122.1 -74.7 134.3 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 -0.185 37.7 -88.1 -66.1 165.2 93.0 28.5 52.3 59 152 A P > - 0 0 49 0, 0.0 3,-1.1 0, 0.0 2,-0.2 -0.053 55.5 -79.9 -64.5 172.1 94.9 25.2 51.6 60 153 A P T 3 S+ 0 0 127 0, 0.0 107,-0.4 0, 0.0 3,-0.1 -0.522 115.6 36.9 -80.2 147.4 93.7 22.7 49.2 61 154 A G T 3 S+ 0 0 43 1,-0.3 2,-0.1 66,-0.2 104,-0.0 0.378 81.3 155.1 95.5 -2.3 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 -0.357 24.6-161.9 -61.5 134.9 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 -0.839 12.5-142.6-121.1 154.6 85.7 22.6 52.9 64 157 A V E -DE 125 164A 0 61,-2.4 61,-1.5 -2,-0.3 2,-0.4 -0.982 21.6-170.3-122.9 120.6 82.9 25.0 53.8 65 158 A R E -DE 124 163A 30 98,-2.8 98,-3.0 -2,-0.5 2,-0.4 -0.893 9.0-160.9-118.1 141.9 80.2 23.8 56.1 66 159 A A E +DE 123 162A 0 57,-2.5 57,-1.8 -2,-0.4 2,-0.3 -0.940 11.9 172.3-122.7 142.1 76.9 25.2 57.2 67 160 A M E - E 0 161A 34 94,-1.6 94,-3.7 -2,-0.4 2,-0.4 -0.996 21.1-142.8-145.9 138.1 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 -0.857 23.0 172.9-102.9 138.0 71.7 25.7 61.7 69 162 A I E -FE 79 159A 0 90,-1.7 90,-2.7 -2,-0.4 2,-0.2 -0.965 41.1 -94.7-137.1 152.7 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 -0.490 28.6-141.8 -69.4 140.4 68.5 27.5 67.6 71 164 A K S S+ 0 0 86 86,-3.0 2,-0.2 -2,-0.2 87,-0.1 0.862 76.7 78.4 -68.0 -40.8 69.6 31.0 68.7 72 165 A Q S >> S- 0 0 66 85,-0.5 3,-1.5 1,-0.1 4,-0.7 -0.462 78.4-132.8 -73.6 140.7 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 0.870 103.9 63.7 -61.9 -34.7 69.8 29.0 75.0 74 167 A Q G 34 S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.1 165,-0.1 0.606 113.5 32.1 -64.7 -11.2 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 0.332 84.3 107.0-126.1 -0.0 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 0.695 75.6 59.3 -55.7 -26.3 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 0.525 87.3 96.5 -82.5 -5.7 69.9 21.3 72.4 78 171 A E S < S- 0 0 4 -3,-2.3 -8,-0.6 207,-0.1 2,-0.4 -0.740 77.3-129.2 -90.6 126.6 67.3 20.9 69.8 79 172 A V B -F 69 0A 3 205,-2.4 2,-0.4 -2,-0.5 -10,-0.1 -0.591 22.6-124.2 -74.8 126.6 68.4 19.9 66.4 80 173 A V + 0 0 6 -12,-0.6 41,-0.3 -2,-0.4 2,-0.3 -0.599 49.6 148.3 -75.0 128.7 67.1 22.2 63.8 81 174 A R - 0 0 52 -2,-0.4 19,-0.2 19,-0.1 72,-0.1 -0.956 49.8 -79.2-153.3 165.9 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 -0.424 49.3-108.1 -71.9 148.3 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 -0.043 38.0-100.4 -63.1 170.8 58.8 20.1 60.3 84 177 A P H > S+ 0 0 40 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.950 121.5 56.8 -66.8 -43.6 57.0 16.9 59.4 85 178 A H H 4 S+ 0 0 120 1,-0.2 3,-0.1 2,-0.2 4,-0.1 0.947 113.5 42.7 -47.5 -53.4 54.9 18.4 56.6 86 179 A H H >4 S+ 0 0 23 1,-0.2 3,-2.7 2,-0.2 -1,-0.2 0.919 108.2 52.5 -62.4 -53.5 58.2 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 0.843 110.9 54.5 -52.4 -31.3 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 0.494 88.4 107.8 -79.2 -8.4 57.4 14.6 53.7 89 182 A C S < S- 0 0 41 -3,-2.7 2,-1.6 9,-0.2 3,-0.2 -0.409 76.2-126.2 -72.8 147.4 57.4 16.9 50.7 90 183 A S S S+ 0 0 129 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.738 71.7 119.6 -90.1 92.2 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 0.098 32.7 148.5-141.0 21.5 61.0 18.6 47.0 92 185 A S - 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