==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 28-APR-08 2VSP . COMPND 2 MOLECULE: PDZ DOMAIN-CONTAINING PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.W.YUE,N.SHAFQAT,E.S.PILKA,C.JOHANSSON,J.W.MURRAY,J.ELKINS, . 326 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16489.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 65.3 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 . 96 29.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 9 2.8 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 0.3 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 . 28 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 4 0 0 0 1 1 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 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 . 8 5 4 4 0 0 3 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 1 1 0 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 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 1 374 A M 0 0 205 0, 0.0 81,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -15.7 -30.0 23.8 -0.0 2 375 A K - 0 0 44 2,-0.0 81,-3.4 0, 0.0 2,-0.4 -0.969 360.0-138.7-123.2 134.5 -31.6 23.6 -3.4 3 376 A P E -A 82 0A 102 0, 0.0 2,-0.4 0, 0.0 79,-0.3 -0.753 18.3-169.6 -91.4 134.0 -33.3 20.6 -5.1 4 377 A K E -A 81 0A 53 77,-2.5 77,-3.0 -2,-0.4 2,-0.5 -0.972 8.8-158.1-123.2 136.9 -32.7 20.0 -8.8 5 378 A L E +A 80 0A 50 -2,-0.4 2,-0.3 75,-0.2 75,-0.2 -0.971 27.9 161.0-113.8 123.4 -34.5 17.5 -11.0 6 379 A C E -A 79 0A 10 73,-2.9 73,-3.5 -2,-0.5 2,-0.5 -0.973 34.4-141.2-149.9 161.9 -32.7 16.4 -14.2 7 380 A R E -A 78 0A 79 -2,-0.3 2,-0.4 71,-0.2 71,-0.2 -0.962 18.3-156.7-129.6 115.3 -32.4 13.9 -16.9 8 381 A L E -A 77 0A 2 69,-2.6 69,-1.7 -2,-0.5 2,-0.6 -0.758 5.8-151.6 -95.0 133.0 -29.1 12.8 -18.4 9 382 A A E -A 76 0A 56 -2,-0.4 67,-0.2 67,-0.2 66,-0.1 -0.913 33.1-113.5 -99.0 123.6 -28.5 11.3 -21.8 10 383 A K - 0 0 66 65,-3.7 5,-0.2 -2,-0.6 2,-0.1 -0.236 36.0-152.8 -56.3 140.7 -25.5 9.0 -21.8 11 384 A G B > -F 14 0B 33 3,-2.8 3,-1.4 1,-0.0 5,-0.1 -0.435 38.8 -79.9-106.5-177.5 -22.6 10.3 -23.9 12 385 A E T 3 S+ 0 0 107 1,-0.3 2,-0.1 -2,-0.1 3,-0.1 0.867 135.3 32.1 -49.0 -34.4 -19.8 8.6 -25.8 13 386 A N T > S- 0 0 134 1,-0.3 3,-0.5 0, 0.0 -1,-0.3 -0.461 122.2 -90.4-125.8 60.3 -18.1 8.4 -22.4 14 387 A G B < S-F 11 0B 24 -3,-1.4 -3,-2.8 1,-0.2 -1,-0.3 -0.241 70.3 -42.2 78.6-158.5 -20.9 8.0 -19.9 15 388 A Y T 3 S- 0 0 16 2,-0.2 24,-2.4 -5,-0.2 25,-0.2 0.535 79.2-114.9 -88.3 -7.6 -22.9 10.5 -17.9 16 389 A G S < S+ 0 0 6 -3,-0.5 18,-2.5 1,-0.2 2,-0.3 0.888 80.2 74.2 75.8 42.0 -19.8 12.6 -17.2 17 390 A F - 0 0 27 16,-0.2 2,-0.3 22,-0.1 -1,-0.2 -0.964 63.0-131.1-165.4 166.0 -19.6 12.4 -13.4 18 391 A H - 0 0 120 -2,-0.3 2,-0.4 -3,-0.1 15,-0.1 -0.921 18.0-127.5-122.9 152.6 -18.6 10.0 -10.6 19 392 A L - 0 0 19 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.817 25.2-173.4 -94.7 132.4 -20.3 9.1 -7.4 20 393 A N B -B 29 0A 94 9,-2.9 9,-2.3 -2,-0.4 2,-0.3 -0.886 1.4-172.3-116.4 156.8 -18.4 9.4 -4.2 21 394 A A - 0 0 24 -2,-0.3 2,-0.4 7,-0.2 7,-0.1 -0.868 23.6-120.7-130.0 170.5 -19.6 8.3 -0.8 22 395 A I > - 0 0 88 5,-0.4 2,-2.6 3,-0.4 3,-1.1 -0.967 49.5 -86.0-119.8 147.3 -18.1 8.8 2.6 23 396 A R T 3 S- 0 0 110 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.112 104.4 -23.3 -73.4 69.7 -17.2 5.7 4.5 24 397 A G T 3 S+ 0 0 78 -2,-2.6 -1,-0.3 1,-0.9 3,-0.0 0.364 101.5 122.9 106.5 -2.3 -20.5 4.8 6.2 25 398 A L < - 0 0 104 -3,-1.1 -1,-0.9 2,-0.1 -3,-0.4 -0.678 69.9-118.4 -52.0 134.1 -21.9 8.2 6.1 26 399 A P S S+ 0 0 112 0, 0.0 34,-0.1 0, 0.0 33,-0.1 -0.422 70.3 52.6 -78.4 162.6 -25.2 7.5 4.2 27 400 A G - 0 0 17 34,-0.5 -5,-0.4 32,-0.5 2,-0.4 0.043 67.6-115.8 95.7 157.5 -25.9 9.2 0.9 28 401 A S - 0 0 3 22,-0.5 22,-3.1 -7,-0.1 2,-0.3 -0.989 27.9-170.6-132.7 137.5 -24.1 9.5 -2.4 29 402 A F B BC 20 49A 45 -9,-2.3 -9,-2.9 -2,-0.4 20,-0.2 -0.914 360.0 360.0-133.1 159.5 -22.9 12.7 -3.9 30 403 A I 0 0 8 18,-2.3 17,-3.8 -2,-0.3 -11,-0.2 -0.486 360.0 360.0 -78.2 360.0 -21.5 13.8 -7.2 31 ! 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 32 405 A E 0 0 137 0, 0.0 2,-0.4 0, 0.0 -13,-0.1 0.000 360.0 360.0 360.0 69.0 -16.1 14.7 -10.8 33 406 A V - 0 0 33 -16,-0.1 2,-0.4 1,-0.1 -16,-0.2 -0.387 360.0-132.7 -66.2 114.1 -18.4 16.6 -13.2 34 407 A Q > - 0 0 102 -18,-2.5 3,-2.6 -2,-0.4 6,-0.5 -0.508 25.5-113.4 -70.5 119.6 -16.9 16.5 -16.6 35 408 A K T 3 S+ 0 0 187 -2,-0.4 -1,-0.1 1,-0.3 4,-0.0 -0.325 101.6 8.7 -53.9 125.3 -17.0 20.0 -18.1 36 409 A G T 3 S+ 0 0 47 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.1 0.428 103.3 127.5 81.4 -1.0 -19.3 20.0 -21.1 37 410 A G S <> S- 0 0 5 -3,-2.6 4,-2.8 -21,-0.2 -1,-0.3 -0.241 78.4 -93.2 -80.2 174.8 -20.6 16.5 -20.2 38 411 A P H > S+ 0 0 28 0, 0.0 4,-2.5 0, 0.0 -22,-0.2 0.930 126.5 45.8 -54.4 -52.7 -24.2 15.4 -19.8 39 412 A A H 4>S+ 0 0 0 -24,-2.4 5,-1.7 1,-0.2 4,-0.3 0.909 113.7 51.2 -57.5 -43.4 -24.2 16.0 -16.0 40 413 A D H >45S+ 0 0 44 -6,-0.5 3,-1.2 -24,-0.2 -1,-0.2 0.937 112.6 43.9 -59.3 -48.3 -22.5 19.3 -16.5 41 414 A L H 3<5S+ 0 0 134 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.838 107.1 60.8 -68.0 -33.5 -25.0 20.5 -19.1 42 415 A A T 3<5S- 0 0 38 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.463 121.8-103.8 -74.9 -1.7 -27.9 19.2 -17.1 43 416 A G T < 5 + 0 0 34 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.356 69.8 145.6 101.0 -4.9 -27.0 21.6 -14.2 44 417 A L < - 0 0 4 -5,-1.7 2,-0.3 -6,-0.2 -1,-0.3 -0.237 25.5-167.5 -67.3 155.6 -25.4 19.1 -11.8 45 418 A E > - 0 0 121 -13,-0.0 3,-1.9 -15,-0.0 -15,-0.3 -0.974 31.9 -76.4-145.0 155.2 -22.4 20.1 -9.5 46 419 A D T 3 S+ 0 0 97 -2,-0.3 3,-0.1 1,-0.3 -29,-0.0 -0.176 115.2 19.9 -51.9 140.0 -19.8 18.5 -7.3 47 420 A E T 3 S+ 0 0 146 -17,-3.8 -1,-0.3 1,-0.3 2,-0.2 0.520 82.9 150.0 74.4 9.1 -21.1 17.5 -3.9 48 421 A D < - 0 0 5 -3,-1.9 -18,-2.3 -18,-0.1 2,-0.5 -0.533 45.4-127.9 -64.7 135.3 -24.7 17.4 -5.0 49 422 A V E -CD 29 82A 56 33,-2.7 33,-1.9 -20,-0.2 2,-0.4 -0.773 11.8-130.8 -93.8 129.7 -26.5 14.8 -3.0 50 423 A I E + D 0 81A 0 -22,-3.1 -22,-0.5 -2,-0.5 31,-0.2 -0.644 34.3 162.8 -78.9 127.9 -28.5 12.1 -4.8 51 424 A I E + 0 0 39 29,-2.9 7,-2.4 -2,-0.4 8,-0.4 0.743 66.0 19.0-111.4 -44.8 -32.0 11.7 -3.4 52 425 A E E -ED 57 80A 6 28,-1.9 28,-2.4 5,-0.3 2,-0.5 -0.993 53.2-163.9-132.4 137.3 -33.8 9.9 -6.1 53 426 A V E > S-ED 56 79A 1 3,-2.4 3,-2.0 -2,-0.4 26,-0.2 -0.986 88.3 -18.2-111.8 120.1 -32.7 7.8 -9.1 54 427 A N T 3 S- 0 0 22 24,-3.2 -1,-0.2 -2,-0.5 25,-0.1 0.896 131.0 -49.6 50.1 46.0 -35.5 7.3 -11.6 55 428 A G T 3 S+ 0 0 18 23,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.377 113.2 119.2 80.3 -5.2 -38.1 8.3 -9.0 56 429 A V E < -E 53 0A 13 -3,-2.0 -3,-2.4 247,-0.1 -1,-0.2 -0.856 65.4-127.8 -99.5 121.5 -36.8 5.9 -6.3 57 430 A N E -E 52 0A 63 -2,-0.6 -5,-0.3 -5,-0.2 3,-0.1 -0.471 27.2-180.0 -61.0 129.3 -35.5 7.4 -3.1 58 431 A V > + 0 0 3 -7,-2.4 3,-1.1 -2,-0.2 -31,-0.2 0.060 47.5 107.2-124.0 22.2 -32.0 6.0 -2.4 59 432 A L T 3 S+ 0 0 73 -8,-0.4 -32,-0.5 1,-0.3 -1,-0.1 0.888 83.6 47.2 -69.1 -38.1 -31.1 7.7 0.8 60 433 A D T 3 S+ 0 0 117 -34,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.051 98.9 97.6 -89.6 25.7 -31.4 4.4 2.8 61 434 A E S < S- 0 0 11 -3,-1.1 -34,-0.5 2,-0.0 -3,-0.1 -0.927 79.2-107.5-120.0 141.5 -29.4 2.5 0.2 62 435 A P >> - 0 0 69 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.234 34.5-109.3 -58.0 150.2 -25.7 1.6 0.2 63 436 A Y H 3> S+ 0 0 80 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.851 118.9 58.1 -49.2 -39.4 -23.4 3.5 -2.2 64 437 A E H 3> S+ 0 0 124 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.839 104.2 48.9 -64.7 -38.4 -23.1 0.3 -4.2 65 438 A K H <> S+ 0 0 40 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.877 110.1 52.3 -67.5 -38.2 -26.8 0.0 -4.9 66 439 A V H X S+ 0 0 1 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.928 110.0 48.2 -64.8 -44.3 -26.9 3.7 -5.9 67 440 A V H X S+ 0 0 23 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.937 111.8 50.9 -58.5 -47.7 -24.1 3.1 -8.4 68 441 A D H < S+ 0 0 31 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.926 106.7 53.4 -56.6 -49.1 -25.9 0.0 -9.7 69 442 A R H >X S+ 0 0 20 -4,-2.7 4,-0.9 1,-0.2 3,-0.6 0.878 111.5 45.7 -53.6 -42.8 -29.2 1.9 -10.2 70 443 A I H 3< S+ 0 0 10 -4,-1.7 3,-0.5 1,-0.2 -1,-0.2 0.904 114.5 46.2 -69.3 -42.8 -27.5 4.6 -12.3 71 444 A Q T 3< S+ 0 0 43 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.391 108.1 60.8 -82.8 5.6 -25.5 2.1 -14.4 72 445 A S T <4 S+ 0 0 46 -3,-0.6 2,-0.4 -4,-0.5 -1,-0.2 0.640 84.9 78.6-105.1 -20.6 -28.7 -0.0 -14.9 73 446 A S S < S- 0 0 19 -4,-0.9 232,-0.1 -3,-0.5 148,-0.0 -0.793 80.6-145.2 -86.5 135.2 -30.8 2.6 -16.6 74 447 A G - 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0 0 26 16,-0.2 2,-0.3 22,-0.1 -1,-0.2 -0.966 63.0-131.3-166.9 164.7 -47.2 -13.0 -12.8 100 391 B H - 0 0 131 -2,-0.3 13,-2.9 -3,-0.1 14,-0.4 -0.918 18.6-126.7-122.5 153.8 -48.0 -10.7 -9.9 101 392 B L E -K 112 0E 18 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.788 25.3-171.9 -97.2 145.1 -46.0 -9.8 -6.8 102 393 B N E +K 111 0E 77 9,-2.4 9,-2.2 -2,-0.4 2,-0.3 -0.941 5.1 177.4-134.7 151.3 -47.6 -10.0 -3.4 103 394 B A E - 0 0 27 -2,-0.3 2,-0.5 7,-0.2 7,-0.1 -0.953 31.1-126.8-144.2 163.1 -46.4 -9.0 0.1 104 395 B I E > -K 107 0E 100 3,-0.6 3,-2.5 5,-0.5 41,-0.0 -0.986 51.8-101.8-112.0 119.1 -47.6 -8.9 3.7 105 396 B R T 3 S+ 0 0 105 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.011 101.8 1.8 -49.1 132.4 -47.2 -5.3 4.8 106 397 B G T 3 S+ 0 0 88 1,-0.2 -1,-0.3 0, 0.0 0, 0.0 0.270 105.6 116.8 72.0 -13.7 -44.1 -4.7 7.0 107 398 B L E < S-K 104 0E 99 -3,-2.5 -3,-0.6 2,-0.1 -1,-0.2 -0.810 72.0-118.4 -87.4 119.6 -43.3 -8.3 6.4 108 399 B P E S+ 0 0 101 0, 0.0 34,-0.1 0, 0.0 33,-0.1 -0.150 70.5 36.7 -61.0 144.5 -40.0 -8.6 4.5 109 400 B G E - 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