==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN 21-SEP-12 4H87 . COMPND 2 MOLECULE: KANADAPTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 247 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12685.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 57.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 32.8 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 . 4 1.6 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 . 21 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.3 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 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 6 2 2 3 3 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 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 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 A S 0 0 176 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 157.2 32.4 17.2 16.1 2 0 A M - 0 0 177 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.555 360.0-105.9 -74.7 126.7 32.6 20.9 17.0 3 149 A A - 0 0 91 -2,-0.3 -1,-0.1 1,-0.1 2,-0.0 -0.268 40.4-112.5 -53.7 129.9 29.4 22.8 16.0 4 150 A R - 0 0 98 1,-0.1 -1,-0.1 -3,-0.1 0, 0.0 -0.283 28.5-112.9 -64.3 152.0 30.0 24.9 12.9 5 151 A A - 0 0 82 1,-0.1 -1,-0.1 2,-0.0 0, 0.0 -0.526 39.5 -91.4 -79.0 155.4 29.9 28.7 13.2 6 152 A P - 0 0 108 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.277 38.1-120.2 -58.5 153.3 27.1 30.7 11.5 7 153 A P S S+ 0 0 48 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.671 88.8 36.8 -76.0 -13.2 28.3 31.7 8.0 8 154 A Y - 0 0 20 36,-0.0 2,-0.5 2,-0.0 36,-0.0 -0.999 58.7-154.4-148.6 142.3 28.0 35.4 8.6 9 155 A Q - 0 0 173 -2,-0.3 0, 0.0 -3,-0.1 0, 0.0 -0.956 30.4-125.5-111.6 114.7 28.5 38.0 11.4 10 156 A E - 0 0 67 -2,-0.5 32,-0.0 1,-0.1 -2,-0.0 -0.411 31.5-123.5 -59.4 126.6 26.4 41.2 11.1 11 157 A P > - 0 0 19 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.268 22.7-105.5 -71.9 163.3 28.8 44.2 11.1 12 158 A P T 3 S+ 0 0 140 0, 0.0 -2,-0.1 0, 0.0 59,-0.0 0.760 119.1 58.0 -60.5 -25.5 28.3 47.0 13.7 13 159 A W T 3 S+ 0 0 88 57,-0.1 58,-2.9 2,-0.0 2,-0.1 0.479 86.5 107.4 -82.6 -5.2 26.9 49.4 11.1 14 160 A G B < +A 70 0A 17 -3,-2.0 56,-0.2 56,-0.3 28,-0.1 -0.373 38.2 148.7 -76.7 153.5 24.0 46.9 10.2 15 161 A G - 0 0 6 54,-1.7 54,-0.1 26,-0.4 25,-0.1 -0.964 46.8 -66.4-171.6 168.0 20.4 47.5 11.2 16 162 A P - 0 0 68 0, 0.0 56,-0.5 0, 0.0 2,-0.3 -0.294 45.8-115.1 -71.2 146.1 16.8 46.8 10.1 17 163 A A + 0 0 1 23,-2.4 22,-3.6 20,-0.5 23,-0.1 -0.590 31.2 179.1 -74.9 126.9 15.3 48.4 7.0 18 164 A T + 0 0 87 -2,-0.3 -1,-0.2 20,-0.2 20,-0.1 0.687 58.6 78.6-101.0 -29.9 12.4 50.7 8.1 19 165 A A S S- 0 0 38 1,-0.1 2,-2.4 18,-0.1 18,-0.1 -0.469 97.8 -99.7 -80.1 153.3 11.4 52.0 4.6 20 166 A P + 0 0 105 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.264 63.4 152.2 -78.0 63.6 9.3 49.8 2.3 21 167 A Y - 0 0 52 -2,-2.4 16,-2.9 15,-0.0 17,-0.5 -0.504 19.5-177.3 -80.6 155.9 12.0 48.4 0.1 22 168 A S E -BC 36 124B 16 102,-2.1 102,-3.2 14,-0.3 2,-0.5 -0.943 28.5-121.9-150.3 169.0 11.6 45.0 -1.6 23 169 A L E -BC 35 123B 6 12,-2.6 12,-2.7 -2,-0.3 2,-0.5 -0.985 24.5-159.9-115.9 119.8 13.2 42.3 -3.7 24 170 A E E -BC 34 122B 11 98,-2.6 98,-2.9 -2,-0.5 2,-0.4 -0.887 12.0-140.3-101.0 134.0 11.3 41.4 -6.9 25 171 A T E - C 0 121B 7 8,-2.9 7,-3.1 -2,-0.5 2,-0.4 -0.776 16.5-172.7 -93.4 136.3 12.1 38.0 -8.5 26 172 A L E -BC 31 120B 2 94,-2.6 94,-2.6 -2,-0.4 2,-0.4 -0.960 2.9-170.4-119.7 144.0 12.4 37.5 -12.3 27 173 A K E > -BC 30 119B 109 3,-2.9 3,-1.6 -2,-0.4 92,-0.2 -0.938 68.9 -32.4-138.8 112.2 12.8 34.2 -13.9 28 174 A G T 3 S- 0 0 38 90,-0.7 126,-0.1 -2,-0.4 3,-0.1 0.812 126.9 -38.3 48.2 51.2 13.6 34.0 -17.7 29 175 A G T 3 S+ 0 0 27 1,-0.2 2,-0.5 124,-0.1 -1,-0.3 0.404 117.9 111.3 85.1 1.9 11.7 37.1 -18.7 30 176 A T E < -B 27 0B 80 -3,-1.6 -3,-2.9 124,-0.0 2,-0.5 -0.925 65.0-134.0-112.9 128.9 8.8 36.5 -16.3 31 177 A I E +B 26 0B 28 -2,-0.5 -5,-0.2 -5,-0.2 2,-0.0 -0.681 32.4 173.1 -77.8 123.9 8.1 38.6 -13.2 32 178 A L E - 0 0 72 -7,-3.1 -1,-0.1 -2,-0.5 -6,-0.1 0.282 39.8 -30.2-100.9-127.3 7.4 36.3 -10.2 33 179 A G E - 0 0 39 -9,-0.1 -8,-2.9 -2,-0.0 2,-0.4 -0.174 46.3-126.9 -93.2 178.2 6.9 37.4 -6.6 34 180 A T E -B 24 0B 78 -10,-0.2 2,-0.5 -2,-0.0 -10,-0.2 -0.981 12.1-158.2-125.4 137.5 8.0 40.2 -4.3 35 181 A R E -B 23 0B 103 -12,-2.7 -12,-2.6 -2,-0.4 2,-0.1 -0.975 21.4-128.5-114.7 123.8 9.7 39.8 -0.9 36 182 A S E -B 22 0B 80 -2,-0.5 -14,-0.3 -14,-0.2 -15,-0.0 -0.493 13.1-164.5 -70.8 143.9 9.4 42.8 1.6 37 183 A L > + 0 0 5 -16,-2.9 3,-2.1 -2,-0.1 -20,-0.5 0.349 48.8 125.4-104.5 1.1 12.7 44.0 3.1 38 184 A K T 3 S+ 0 0 129 -17,-0.5 -20,-0.2 1,-0.3 3,-0.1 -0.445 83.0 11.8 -63.7 126.8 11.0 46.0 5.8 39 185 A G T 3 S+ 0 0 56 -22,-3.6 2,-0.4 1,-0.3 -1,-0.3 0.364 99.2 127.9 87.4 -5.7 12.3 44.9 9.2 40 186 A T < - 0 0 38 -3,-2.1 -23,-2.4 1,-0.2 -1,-0.3 -0.735 35.6-178.6 -83.8 128.6 15.1 42.9 7.6 41 187 A S S S- 0 0 33 1,-0.4 28,-2.9 -2,-0.4 -26,-0.4 0.807 76.9 -11.0 -87.9 -44.5 18.7 43.6 8.8 42 188 A Y E -G 68 0C 77 26,-0.2 2,-0.5 -28,-0.1 -1,-0.4 -0.991 59.5-140.5-152.5 155.8 20.2 41.2 6.3 43 189 A C E -G 67 0C 11 24,-2.4 24,-2.5 -2,-0.3 2,-0.5 -0.977 15.5-152.0-122.0 118.4 19.1 38.5 3.9 44 190 A L E -G 66 0C 17 -2,-0.5 9,-2.0 22,-0.2 8,-1.2 -0.827 12.7-165.1 -93.9 122.7 21.1 35.3 3.6 45 191 A F E +Gh 65 53C 4 20,-3.2 19,-2.3 -2,-0.5 20,-1.7 -0.885 29.0 109.1-105.6 141.7 20.9 33.5 0.2 46 192 A G E S- h 0 54C 0 7,-1.9 9,-2.5 -2,-0.4 16,-0.2 -0.974 72.2 -89.4 174.4-179.5 22.1 30.0 -0.5 47 193 A R S S+ 0 0 89 14,-2.0 15,-0.2 -2,-0.3 16,-0.1 0.733 90.1 98.8 -83.6 -24.4 21.1 26.4 -1.3 48 194 A L S > S- 0 0 63 14,-2.2 3,-2.0 13,-0.2 -2,-0.1 -0.399 79.5-128.1 -66.3 142.2 20.9 25.3 2.4 49 195 A S T 3 S+ 0 0 110 1,-0.3 -1,-0.1 5,-0.1 5,-0.1 0.719 105.9 69.1 -59.7 -27.3 17.3 25.3 3.8 50 196 A G T 3 S+ 0 0 65 3,-0.0 -1,-0.3 2,-0.0 -6,-0.1 0.510 78.6 104.2 -69.7 -11.5 18.5 27.5 6.7 51 197 A C S < S- 0 0 11 -3,-2.0 3,-0.2 11,-0.1 -6,-0.2 -0.356 80.6-124.9 -70.6 155.7 19.0 30.5 4.3 52 198 A D S S+ 0 0 96 -8,-1.2 2,-0.5 1,-0.3 -7,-0.2 0.861 109.1 30.2 -65.3 -36.0 16.5 33.3 4.3 53 199 A V E S-h 45 0C 4 -9,-2.0 -7,-1.9 2,-0.0 2,-0.7 -0.994 85.1-153.5-125.4 115.1 16.1 32.8 0.5 54 200 A C E -h 46 0C 43 -2,-0.5 2,-0.3 -3,-0.2 -7,-0.2 -0.873 8.6-163.1 -98.8 111.0 16.7 29.1 -0.4 55 201 A L - 0 0 0 -9,-2.5 -4,-0.1 -2,-0.7 -2,-0.0 -0.694 8.5-159.0 -93.5 144.0 17.9 28.7 -4.0 56 202 A E + 0 0 153 -2,-0.3 -1,-0.1 3,-0.0 -9,-0.1 0.735 53.9 111.0 -95.7 -26.8 17.6 25.3 -5.7 57 203 A H > - 0 0 87 1,-0.1 3,-2.2 2,-0.1 60,-0.1 -0.308 66.8-136.3 -56.3 131.0 20.1 25.5 -8.5 58 204 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.744 101.4 65.6 -62.7 -21.5 23.1 23.1 -7.7 59 205 A S T 3 S+ 0 0 22 55,-0.1 30,-0.4 2,-0.1 2,-0.2 0.643 82.6 95.4 -72.0 -14.2 25.6 25.8 -8.9 60 206 A V S < S- 0 0 1 -3,-2.2 2,-0.1 55,-0.1 -14,-0.1 -0.560 84.5-113.9 -77.4 137.6 24.5 28.0 -5.9 61 207 A S - 0 0 14 -2,-0.2 -14,-2.0 29,-0.1 3,-0.3 -0.395 20.5-115.9 -69.5 152.4 26.7 27.7 -2.8 62 208 A R S S+ 0 0 162 1,-0.3 -14,-2.2 -16,-0.2 2,-0.5 0.917 117.8 18.4 -52.9 -44.7 25.2 26.2 0.4 63 209 A Y S S+ 0 0 92 -17,-0.2 -1,-0.3 -16,-0.1 -17,-0.2 -0.985 87.4 162.5-123.2 109.5 25.8 29.7 1.9 64 210 A H - 0 0 0 -19,-2.3 21,-2.4 -2,-0.5 23,-0.4 0.913 46.3 -25.2-103.2 -55.4 26.2 32.0 -1.0 65 211 A A E -GI 45 84C 0 -20,-1.7 -20,-3.2 19,-0.3 2,-0.4 -0.981 44.9-133.3-157.6 165.0 25.8 35.7 -0.3 66 212 A V E -GI 44 83C 0 17,-2.5 17,-2.5 -2,-0.3 2,-0.7 -0.975 6.2-149.8-125.5 139.0 24.2 38.2 2.0 67 213 A L E -GI 43 82C 6 -24,-2.5 -24,-2.4 -2,-0.4 2,-0.5 -0.950 29.7-164.6-102.0 109.0 22.3 41.5 1.2 68 214 A Q E -GI 42 81C 0 13,-3.4 13,-2.6 -2,-0.7 2,-0.4 -0.861 10.4-147.2-103.5 131.4 23.1 43.7 4.3 69 215 A H E - I 0 80C 7 -28,-2.9 -54,-1.7 -2,-0.5 2,-0.4 -0.777 15.4-131.5 -95.5 136.0 21.2 46.8 5.2 70 216 A R B -A 14 0A 138 9,-3.0 9,-0.4 -2,-0.4 -56,-0.3 -0.750 39.5 -94.0 -82.9 134.3 23.1 49.7 6.8 71 217 A A - 0 0 47 -58,-2.9 2,-0.2 -2,-0.4 -1,-0.1 -0.070 45.3-112.9 -50.6 134.3 21.3 51.0 10.0 72 218 A S - 0 0 60 -56,-0.5 -1,-0.1 1,-0.1 -3,-0.0 -0.497 25.4-123.7 -72.0 142.4 19.1 53.9 9.2 73 219 A G - 0 0 54 -2,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.169 40.8 -89.8 -69.7 176.2 20.0 57.3 10.5 74 220 A P 0 0 142 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.704 360.0 360.0 -67.0 -19.1 17.5 59.1 12.7 75 221 A D 0 0 205 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.013 360.0 360.0 46.6 360.0 16.0 60.8 9.5 76 ! 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 77 228 A G 0 0 107 0, 0.0 2,-0.1 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0-128.4 19.7 56.8 -0.8 78 229 A P - 0 0 23 0, 0.0 2,-1.0 0, 0.0 30,-0.1 -0.411 360.0-124.7 -73.7 153.3 19.2 53.5 1.1 79 230 A G + 0 0 12 -9,-0.4 -9,-3.0 -2,-0.1 2,-0.4 -0.760 45.0 152.5-103.0 89.5 22.2 51.6 2.3 80 231 A F E -I 69 0C 2 -2,-1.0 26,-2.9 26,-0.4 2,-0.4 -0.966 18.7-173.2-113.6 138.4 22.0 48.0 0.9 81 232 A Y E -IJ 68 105C 46 -13,-2.6 -13,-3.4 -2,-0.4 2,-0.4 -0.993 17.3-139.4-134.4 137.1 25.3 46.1 0.3 82 233 A L E -IJ 67 104C 1 22,-3.0 22,-2.3 -2,-0.4 2,-0.4 -0.741 17.2-172.7 -95.5 139.7 25.9 42.7 -1.2 83 234 A Y E -I 66 0C 49 -17,-2.5 -17,-2.5 -2,-0.4 2,-0.4 -0.947 13.1-148.7-138.1 109.9 28.5 40.5 0.4 84 235 A D E -I 65 0C 4 15,-0.5 17,-3.1 -2,-0.4 2,-0.9 -0.662 9.6-143.6 -81.1 130.9 29.6 37.3 -1.4 85 236 A L - 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