==== 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 PROTEIN-BINDING 16-AUG-07 2V90 . COMPND 2 MOLECULE: PDZ DOMAIN-CONTAINING PROTEIN 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.UPPENBERG,C.GILEADI,C.PHILLIPS,J.ELKINS,G.BUNKOCZI,C.COOPE . 566 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 398 70.3 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 . 193 34.1 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 . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 . 51 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 6 0 0 0 0 6 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 . 10 7 5 6 0 6 6 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 2 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 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 1 245 A M 0 0 123 0, 0.0 87,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.8 13.4 -49.5 -0.1 2 246 A K - 0 0 189 1,-0.1 84,-0.4 83,-0.1 82,-0.1 -0.678 360.0-109.3 -79.8 130.3 10.1 -50.0 1.7 3 247 A P - 0 0 83 0, 0.0 2,-0.4 0, 0.0 82,-0.2 -0.219 29.2-150.4 -58.6 148.1 7.1 -48.7 -0.4 4 248 A R E -A 84 0A 80 80,-2.6 80,-2.8 2,-0.0 2,-0.7 -0.981 4.5-143.7-122.8 137.0 5.3 -45.5 0.8 5 249 A C E -A 83 0A 66 -2,-0.4 2,-0.3 78,-0.2 78,-0.2 -0.889 20.6-171.8-106.3 113.5 1.7 -44.8 0.2 6 250 A L E -A 82 0A 11 76,-3.2 76,-3.1 -2,-0.7 2,-0.5 -0.767 13.5-149.5-105.7 148.6 1.0 -41.1 -0.4 7 251 A H E -A 81 0A 113 -2,-0.3 2,-0.3 74,-0.2 74,-0.2 -0.989 19.4-169.7-122.9 118.3 -2.4 -39.5 -0.7 8 252 A L E -A 80 0A 1 72,-2.9 72,-2.0 -2,-0.5 2,-0.4 -0.847 13.9-153.0-114.1 147.2 -2.6 -36.4 -3.0 9 253 A E E -A 79 0A 112 -2,-0.3 70,-0.2 70,-0.2 2,-0.1 -0.984 25.3-124.5-122.2 135.5 -5.3 -33.9 -3.5 10 254 A K - 0 0 100 68,-2.9 5,-0.2 -2,-0.4 68,-0.1 -0.411 26.4-170.2 -86.0 146.8 -5.5 -32.2 -6.8 11 255 A G B > -F 14 0B 32 3,-1.4 3,-2.2 -2,-0.1 5,-0.1 -0.673 47.0 -73.8-122.8-173.2 -5.4 -28.5 -7.2 12 256 A P T 3 S+ 0 0 115 0, 0.0 3,-0.1 0, 0.0 382,-0.1 0.711 131.3 44.5 -57.1 -23.6 -6.0 -26.1 -10.1 13 257 A Q T 3 S- 0 0 58 1,-0.4 3,-0.3 271,-0.1 2,-0.2 0.155 115.9-111.1-108.7 17.8 -2.6 -27.0 -11.7 14 258 A G B < -F 11 0B 22 -3,-2.2 -3,-1.4 1,-0.2 -1,-0.4 -0.531 53.0 -48.7 90.9-158.6 -2.9 -30.7 -11.2 15 259 A F S S- 0 0 20 -2,-0.2 27,-2.9 -5,-0.2 28,-0.3 0.762 73.3-123.5 -82.7 -31.6 -0.9 -33.0 -9.0 16 260 A G + 0 0 7 1,-0.3 21,-1.9 -3,-0.3 2,-0.3 0.890 64.8 108.9 86.7 47.7 2.5 -31.6 -10.0 17 261 A F E -B 36 0A 38 19,-0.2 2,-0.6 25,-0.1 -1,-0.3 -0.996 57.9-132.4-146.3 151.7 4.6 -34.5 -11.3 18 262 A L E -B 35 0A 71 17,-2.5 16,-2.7 -2,-0.3 17,-0.8 -0.933 21.4-155.7 -98.5 117.6 6.0 -35.8 -14.6 19 263 A L E -B 33 0A 20 -2,-0.6 2,-0.4 14,-0.2 14,-0.2 -0.861 15.3-178.7 -90.5 125.6 5.5 -39.5 -15.1 20 264 A R E -B 32 0A 118 12,-3.0 12,-3.1 -2,-0.5 2,-0.2 -0.972 20.8-132.9-125.2 136.1 7.9 -41.1 -17.5 21 265 A E E -B 31 0A 58 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.593 20.0-176.4 -78.1 140.5 8.1 -44.7 -18.6 22 266 A E E -B 30 0A 90 8,-2.6 8,-2.5 -2,-0.2 2,-0.3 -0.968 14.5-147.1-127.1 132.7 11.4 -46.6 -18.6 23 267 A K E -B 29 0A 131 -2,-0.3 5,-0.1 6,-0.2 2,-0.0 -0.714 18.0-119.7 -88.6 146.3 11.6 -50.1 -20.0 24 268 A G > - 0 0 38 4,-2.2 3,-1.9 -2,-0.3 -1,-0.1 -0.220 35.7 -96.8 -65.0 171.2 14.0 -52.7 -18.6 25 269 A L T 3 S+ 0 0 198 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.782 131.8 57.0 -56.9 -28.9 16.6 -54.4 -20.6 26 270 A D T 3 S- 0 0 113 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.366 122.2-110.6 -85.3 5.2 14.0 -57.1 -20.9 27 271 A G S < S+ 0 0 34 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.0 0.270 70.9 141.8 85.8 -8.9 11.5 -54.5 -22.4 28 272 A R - 0 0 164 -5,-0.1 -4,-2.2 1,-0.1 -1,-0.2 -0.472 49.8-123.7 -71.4 126.4 9.2 -54.5 -19.3 29 273 A P E -B 23 0A 26 0, 0.0 34,-0.6 0, 0.0 2,-0.3 -0.430 27.9-178.7 -77.3 142.2 7.8 -51.1 -18.6 30 274 A G E -B 22 0A 8 -8,-2.5 -8,-2.6 -2,-0.1 2,-0.5 -0.945 20.8-135.8-123.5 150.1 8.2 -49.3 -15.2 31 275 A Q E -BC 21 53A 2 22,-0.5 22,-2.4 -2,-0.3 2,-0.4 -0.946 21.9-167.3-112.7 128.0 6.8 -45.8 -14.5 32 276 A F E -BC 20 52A 41 -12,-3.1 -12,-3.0 -2,-0.5 2,-1.1 -0.898 29.2-126.6-120.4 143.2 8.9 -43.2 -12.8 33 277 A L E +BC 19 51A 0 18,-3.3 17,-3.1 -2,-0.4 18,-0.7 -0.804 36.7 178.8 -84.3 100.0 8.1 -39.9 -11.1 34 278 A W E + 0 0 100 -16,-2.7 2,-0.3 -2,-1.1 -1,-0.2 0.768 61.0 9.6 -83.2 -39.0 10.7 -38.0 -13.1 35 279 A E E -B 18 0A 106 -17,-0.8 -17,-2.5 -3,-0.1 2,-0.5 -0.984 61.0-157.2-140.1 143.5 10.2 -34.6 -11.8 36 280 A V E -B 17 0A 13 -2,-0.3 -19,-0.2 -19,-0.2 13,-0.2 -0.977 24.0-129.5-121.9 117.9 8.2 -33.3 -8.9 37 281 A D > - 0 0 63 -21,-1.9 3,-1.2 -2,-0.5 6,-0.6 -0.419 23.3-116.4 -69.6 129.1 7.2 -29.6 -9.1 38 282 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 245,-0.1 -0.332 95.5 19.3 -55.1 143.7 7.9 -27.5 -6.0 39 283 A G T 3 S+ 0 0 3 1,-0.2 245,-1.9 243,-0.2 360,-0.1 0.481 100.3 107.1 76.9 7.9 4.8 -26.1 -4.2 40 284 A L S <> S- 0 0 19 -3,-1.2 4,-2.4 243,-0.2 5,-0.3 -0.691 85.1 -93.3-119.8 167.1 2.3 -28.5 -5.7 41 285 A P H > S+ 0 0 27 0, 0.0 4,-2.0 0, 0.0 6,-0.2 0.794 118.7 53.3 -55.0 -39.4 0.4 -31.4 -4.1 42 286 A A H 4>S+ 0 0 0 -27,-2.9 5,-2.1 2,-0.2 3,-0.3 0.970 114.2 42.1 -57.6 -57.8 2.8 -34.2 -5.1 43 287 A K H >45S+ 0 0 89 -6,-0.6 3,-1.8 -28,-0.3 -1,-0.2 0.903 115.7 48.4 -52.3 -49.7 5.8 -32.4 -3.6 44 288 A K H 3<5S+ 0 0 83 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.773 106.6 57.9 -69.6 -25.5 4.0 -31.2 -0.5 45 289 A A T 3<5S- 0 0 35 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.267 126.7-100.9 -86.6 11.6 2.7 -34.8 0.0 46 290 A G T < 5 + 0 0 30 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.487 66.4 154.5 88.1 7.9 6.3 -36.0 0.2 47 291 A M < - 0 0 3 -5,-2.1 2,-0.4 -6,-0.2 -1,-0.2 -0.417 28.6-148.8 -69.0 142.7 6.9 -37.4 -3.3 48 292 A Q > - 0 0 76 -2,-0.1 3,-2.2 -13,-0.0 -15,-0.2 -0.914 21.3-107.0-115.3 138.6 10.5 -37.4 -4.6 49 293 A A T 3 S+ 0 0 55 -2,-0.4 -15,-0.2 1,-0.3 -14,-0.1 -0.390 111.7 36.4 -55.8 137.4 12.0 -37.1 -8.1 50 294 A G T 3 S+ 0 0 36 -17,-3.1 -1,-0.3 1,-0.3 -16,-0.2 0.376 83.1 144.2 90.2 -5.3 13.2 -40.6 -9.0 51 295 A D E < -C 33 0A 0 -3,-2.2 -18,-3.3 -18,-0.7 2,-0.6 -0.435 46.7-135.5 -61.5 140.1 10.3 -42.4 -7.2 52 296 A R E -CD 32 85A 106 33,-2.4 33,-2.1 -20,-0.2 2,-0.6 -0.883 15.5-133.1 -93.3 130.2 9.1 -45.5 -8.9 53 297 A L E +CD 31 84A 4 -22,-2.4 -22,-0.5 -2,-0.6 31,-0.2 -0.741 35.6 163.3 -85.1 115.3 5.3 -45.7 -9.0 54 298 A V E + 0 0 12 29,-2.8 7,-2.5 -2,-0.6 8,-0.6 0.662 60.3 19.2-108.8 -21.2 4.2 -49.2 -7.9 55 299 A A E -ED 60 83A 12 28,-1.6 28,-2.9 5,-0.3 2,-0.4 -0.996 52.0-163.2-150.8 146.8 0.5 -48.8 -7.1 56 300 A V E > S-ED 59 82A 3 3,-2.4 3,-2.5 -2,-0.3 26,-0.2 -0.999 85.2 -9.0-126.2 129.7 -2.4 -46.4 -7.9 57 301 A A T 3 S- 0 0 38 24,-2.5 -1,-0.1 -2,-0.4 25,-0.1 0.857 131.6 -56.0 52.8 35.5 -5.6 -46.5 -5.7 58 302 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 23,-0.2 -1,-0.3 0.422 114.7 112.9 81.9 -1.6 -4.2 -49.7 -4.1 59 303 A E E < S-E 56 0A 119 -3,-2.5 -3,-2.4 1,-0.0 -1,-0.2 -0.879 72.2-107.0-110.5 138.2 -3.8 -51.6 -7.4 60 304 A S E -E 55 0A 64 -2,-0.4 -5,-0.3 -5,-0.2 -6,-0.1 -0.293 26.5-177.0 -65.1 137.8 -0.4 -52.6 -8.7 61 305 A V > + 0 0 2 -7,-2.5 3,-1.6 3,-0.1 2,-0.2 0.122 40.2 134.3-111.9 18.7 0.9 -50.8 -11.7 62 306 A E T 3 S+ 0 0 132 -8,-0.6 -32,-0.1 1,-0.3 3,-0.1 -0.493 79.3 7.2 -67.2 131.8 4.1 -53.0 -11.8 63 307 A G T 3 S+ 0 0 38 -34,-0.6 -1,-0.3 1,-0.3 2,-0.3 0.491 102.2 131.5 75.0 4.2 4.8 -54.1 -15.4 64 308 A L < - 0 0 47 -3,-1.6 -1,-0.3 1,-0.1 -3,-0.1 -0.640 55.9-114.8 -93.3 148.7 2.0 -51.8 -16.7 65 309 A G > - 0 0 27 -2,-0.3 4,-1.3 -3,-0.1 5,-0.1 -0.058 28.4-102.9 -74.9 179.9 2.4 -49.4 -19.7 66 310 A H H > S+ 0 0 68 2,-0.2 4,-3.0 1,-0.2 3,-0.4 0.956 114.7 45.8 -77.8 -55.5 2.2 -45.7 -19.6 67 311 A E H > S+ 0 0 171 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.923 114.3 53.2 -52.7 -43.3 -1.2 -44.8 -21.0 68 312 A E H > S+ 0 0 78 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.833 111.1 44.9 -61.7 -36.1 -2.6 -47.5 -18.7 69 313 A T H X S+ 0 0 0 -4,-1.3 4,-1.9 -3,-0.4 -2,-0.2 0.922 112.8 50.0 -77.5 -44.9 -1.0 -46.0 -15.6 70 314 A V H X S+ 0 0 43 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.933 108.9 52.7 -53.5 -47.8 -1.9 -42.5 -16.5 71 315 A S H X S+ 0 0 56 -4,-2.7 4,-2.1 1,-0.3 -1,-0.2 0.921 108.1 52.1 -61.8 -37.5 -5.6 -43.6 -17.0 72 316 A R H < S+ 0 0 73 -4,-1.5 4,-0.3 2,-0.2 -1,-0.3 0.881 110.7 46.2 -64.7 -39.4 -5.6 -45.2 -13.6 73 317 A I H >< S+ 0 0 13 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.919 114.9 47.8 -65.7 -46.1 -4.3 -42.0 -11.9 74 318 A Q H >< S+ 0 0 140 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.787 101.4 66.0 -60.7 -31.7 -6.9 -40.0 -13.9 75 319 A G T 3< S+ 0 0 60 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.617 92.4 62.7 -70.0 -13.1 -9.7 -42.4 -12.9 76 320 A Q T X S- 0 0 89 -3,-1.2 3,-0.9 -4,-0.3 -1,-0.3 0.513 88.8-161.4 -93.3 -7.2 -9.3 -41.4 -9.3 77 321 A G T < - 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