REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 12-OCT-06 2IPQ COMPND HYPOTHETICAL PROTEIN STY4665; COMPND 3 CHAIN: X; COMPND 4 FRAGMENT: C-TERMINAL DOMAIN, RESIDUES 395-529; COMPND 5 SYNONYM: HYPOTHETICAL PROTEIN; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHI; SOURCE 3 ORGANISM_TAXID: 601; SOURCE 4 GENE: STY4665, T4356; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: BS-PSGX4(BS) AUTHOR U.A.RAMAGOPAL,J.B.BONANNO,J.GILMORE,R.TORO,K.T.BAIN,C.REYES, AUTHOR 2 J.M.SAUDER,S.K.BURLEY,S.C.ALMO,NEW YORK SGX RESEARCH CENTER FOR AUTHOR 3 STRUCTURAL GENOMICS (NYSGXRC) HET MSE X 473 8 HET MSE X 509 8 >LEU.X 396 9.60 21.00 -30.36 8.11 22.37 -29.57 8.85 21.68 -29.97 3 0 1000.00 -999 ? >SER~X 397 13.32 19.04 -29.33 14.86 20.58 -28.21 14.09 19.81 -28.77 2 0 1000.00 -999 ? >SER~X 398 13.23 16.67 -26.36 13.84 14.72 -25.00 13.53 15.69 -25.68 2 0 1000.00 -999 ? >THR~X 399 14.36 19.54 -24.10 16.26 20.24 -23.44 15.31 19.89 -23.77 2 0 1000.00 -999 ? >LEU~X 401 9.02 18.45 -26.56 7.22 17.55 -27.31 8.12 18.00 -26.93 3 0 1000.00 -999 ? >GLY~X 402 9.65 18.66 -22.08 9.46 19.37 -22.44 9.56 19.01 -22.26 1 0 1000.00 -999 ? >ASP~X 403 10.79 23.33 -21.27 12.62 23.02 -20.17 11.71 23.18 -20.72 2 0 1000.00 -999 ? >LEU~X 404 6.39 22.75 -24.45 4.91 23.76 -25.67 5.65 23.25 -25.06 3 0 1000.00 -999 ? >PHE~X 405 4.07 17.89 -20.68 2.59 16.39 -18.84 3.33 17.14 -19.76 3 0 1000.00 -999 ? >TRP~X 406 8.15 22.17 -15.63 6.35 20.05 -12.86 7.25 21.11 -14.25 3 0 1000.00 -999 ? >SER~X 407 5.21 24.64 -18.33 5.30 26.76 -19.46 5.26 25.70 -18.89 2 0 1000.00 -999 ? >TRP~X 408 -1.12 23.38 -21.66 -1.91 19.82 -20.17 -1.51 21.60 -20.91 3 0 1000.00 -999 ? >LEU~X 409 1.58 20.16 -16.54 0.57 18.99 -14.94 1.08 19.58 -15.74 3 0 1000.00 -999 ? >ARG~X 410 4.90 25.37 -12.47 6.79 26.56 -14.59 5.85 25.97 -13.53 2 0 1000.00 -999 ? >ASP~X 411 1.71 27.86 -16.06 3.78 28.34 -15.61 2.74 28.10 -15.84 2 0 1000.00 -999 ? >GLY~X 412 -2.28 25.41 -15.98 -1.91 25.35 -15.26 -2.10 25.38 -15.62 1 0 1000.00 -999 ? >LEU~X 413 -2.01 22.72 -11.94 -2.56 20.67 -12.28 -2.29 21.70 -12.11 3 0 1000.00 -999 ? >ARG~X 414 2.06 27.88 -10.06 5.02 27.72 -9.34 3.54 27.80 -9.70 2 0 1000.00 -999 ? >GLU~X 415 -2.36 30.51 -14.25 -2.14 32.14 -12.89 -2.25 31.33 -13.57 2 0 1000.00 -999 ? >GLY.X 416 -6.90 26.75 -12.33 -6.52 27.01 -13.04 -6.71 26.88 -12.68 1 0 1000.00 -999 ? >ASP.X 417 -5.84 27.01 -16.90 -6.55 28.00 -18.63 -6.19 27.50 -17.76 2 0 1000.00 -999 ? >ILE.X 418 -5.28 21.78 -16.20 -4.12 21.18 -16.64 -4.70 21.48 -16.42 3 0 1000.00 -999 ? >PRO.X 419 -10.65 20.68 -16.80 -9.16 20.82 -15.12 -9.91 20.75 -15.96 3 0 1000.00 -999 ? >VAL.X 420 -8.66 18.72 -11.41 -7.47 19.85 -9.88 -8.07 19.29 -10.64 3 0 1000.00 -999 ? >ASN.X 421 -10.44 17.62 -7.72 -8.60 17.58 -6.69 -9.52 17.60 -7.20 2 0 1000.00 -999 ? >THR.X 422 -13.56 15.82 -10.95 -14.50 17.10 -12.43 -14.03 16.46 -11.69 2 0 1000.00 -999 ? >ALA.X 423 -15.09 12.51 -12.05 -16.61 12.23 -12.11 -15.85 12.37 -12.08 2 0 1000.00 -999 ? >ASP.X 424 -14.80 14.07 -16.46 -16.68 13.03 -16.64 -15.74 13.55 -16.55 2 0 1000.00 -999 ? >ALA.X 425 -10.45 15.01 -14.79 -10.23 15.90 -13.57 -10.34 15.45 -14.18 2 0 1000.00 -999 ? >CYH.X 426 -7.03 13.51 -15.56 -5.72 14.88 -17.63 -6.37 14.19 -16.60 2 0 1000.00 -999 ? >VAL^X 427 -5.46 15.38 -12.65 -4.00 17.04 -13.03 -4.73 16.21 -12.84 3 0 1000.00 -999 ? >HIS^X 428 -8.07 13.00 -9.75 -9.91 12.86 -10.75 -8.99 12.93 -10.25 3 0 1000.00 -999 ? >LEU^X 429 -5.06 17.16 -5.15 -4.50 19.09 -5.98 -4.78 18.12 -5.56 3 0 1000.00 -999 ? >THR^X 430 -4.02 13.14 -3.15 -4.85 11.27 -3.85 -4.44 12.21 -3.50 2 0 1000.00 -999 ? >CYH.X 431 -2.19 13.07 0.19 -1.28 11.50 2.29 -1.73 12.29 1.24 2 0 1000.00 -999 ? >GLY.X 432 0.69 15.33 -0.72 0.28 15.01 -1.37 0.49 15.17 -1.05 1 0 1000.00 -999 ? >PHE^X 433 2.40 12.59 -3.92 4.75 11.83 -2.62 3.57 12.21 -3.27 3 0 1000.00 -999 ? >VAL^X 434 -0.65 15.40 -7.76 -0.79 17.34 -8.75 -0.72 16.37 -8.26 3 0 1000.00 -999 ? >PHE^X 435 -2.91 10.11 -10.11 -3.33 7.92 -11.82 -3.12 9.01 -10.97 3 0 1000.00 -999 ? >ILE^X 436 -0.70 13.74 -14.12 0.63 14.52 -14.07 -0.03 14.13 -14.09 3 0 1000.00 -999 ? >SER^X 437 -3.15 9.91 -15.40 -5.31 10.15 -16.32 -4.23 10.03 -15.86 2 0 1000.00 -999 ? >VAL.X 438 -1.55 8.55 -18.58 0.52 7.95 -18.05 -0.51 8.25 -18.32 3 0 1000.00 -999 ? >PRO~X 439 -3.55 7.19 -22.65 -2.35 8.09 -21.01 -2.95 7.64 -21.83 3 0 1000.00 -999 ? >GLY~X 440 -4.97 11.11 -20.57 -4.18 11.23 -20.54 -4.58 11.17 -20.55 1 0 1000.00 -999 ? >VAL~X 441 -2.79 14.04 -19.45 -1.03 14.43 -18.22 -1.91 14.23 -18.83 3 0 1000.00 -999 ? >PHE~X 442 1.42 12.57 -21.87 3.42 12.24 -19.94 2.42 12.41 -20.90 3 0 1000.00 -999 ? >PHE~X 443 -4.32 11.26 -25.42 -3.58 8.82 -26.56 -3.95 10.04 -25.99 3 0 1000.00 -999 ? >LEU~X 444 -5.40 16.80 -21.66 -6.82 18.28 -20.79 -6.11 17.54 -21.22 3 0 1000.00 -999 ? >PHE~X 445 0.87 18.78 -24.04 3.00 20.17 -25.26 1.93 19.48 -24.65 3 0 1000.00 -999 ? >LEU~X 446 -1.76 15.99 -27.76 0.26 15.05 -27.88 -0.75 15.52 -27.82 3 0 1000.00 -999 ? >LYS~X 447 -5.26 18.78 -27.73 -9.81 18.41 -24.23 -7.54 18.60 -25.98 2 0 1000.00 -999 ? >SER~X 448 -4.14 22.34 -26.93 -2.93 22.53 -24.83 -3.54 22.44 -25.88 2 0 1000.00 -999 ? >HIS~X 449 0.57 22.95 -26.69 0.69 24.33 -25.11 0.63 23.64 -25.90 3 0 1000.00 -999 ? >GLY~X 461 3.67 8.44 -31.02 3.54 8.95 -30.37 3.61 8.70 -30.69 1 0 1000.00 -999 ? >ARG~X 462 2.02 14.24 -33.35 2.17 13.94 -36.42 2.09 14.09 -34.89 2 0 1000.00 -999 ? >LYS~X 463 2.32 10.92 -27.07 1.58 6.82 -23.09 1.95 8.87 -25.08 2 0 1000.00 -999 ? >GLU~X 464 6.54 6.47 -27.37 7.40 5.20 -28.92 6.97 5.83 -28.15 2 0 1000.00 -999 ? >GLN~X 465 8.60 12.93 -29.77 8.28 11.63 -31.44 8.44 12.28 -30.60 2 0 1000.00 -999 ? >VAL~X 466 6.07 14.19 -24.96 4.38 15.55 -25.05 5.23 14.87 -25.01 3 0 1000.00 -999 ? >GLN~X 467 5.76 9.12 -21.29 4.29 7.62 -20.97 5.03 8.37 -21.13 2 0 1000.00 -999 ? >ALA~X 468 9.77 10.63 -22.98 10.39 10.10 -24.31 10.08 10.36 -23.65 2 0 1000.00 -999 ? >ALA~X 469 10.57 14.35 -22.93 10.11 15.40 -23.91 10.34 14.87 -23.42 2 0 1000.00 -999 ? >PHE~X 470 6.74 14.54 -18.02 6.02 14.70 -15.32 6.38 14.62 -16.67 3 0 1000.00 -999 ? >GLU~X 471 8.88 9.74 -17.87 9.01 7.63 -18.03 8.94 8.69 -17.95 2 0 1000.00 -999 ? >LYS~X 472 13.77 13.19 -18.71 15.01 10.22 -23.36 14.39 11.71 -21.03 2 0 1000.00 -999 ? >MET?X 473 13.05 16.15 -16.46 10.41 18.68 -18.40 11.73 17.42 -17.43 2 0 1000.00 -999 ? >ARG.X 474 16.26 12.86 -13.41 17.52 10.33 -14.58 16.89 11.59 -13.99 2 0 1000.00 -999 ? >LYS.X 475 9.72 15.99 -11.72 11.72 20.97 -12.84 10.72 18.48 -12.28 2 0 1000.00 -999 ? >HIS.X 476 8.32 11.12 -12.86 9.90 10.25 -13.92 9.11 10.69 -13.39 3 0 1000.00 -999 ? >ARG.X 477 5.99 9.31 -4.93 5.20 7.56 -2.52 5.59 8.44 -3.73 2 0 1000.00 -999 ? >VAL.X 478 10.14 7.63 -8.33 11.48 7.18 -10.03 10.81 7.41 -9.18 3 0 1000.00 -999 ? >SER.X 479 9.94 5.47 -5.30 8.66 4.73 -3.39 9.30 5.10 -4.34 2 0 1000.00 -999 ? >ASP.X 480 12.05 1.75 -4.07 13.37 0.18 -3.66 12.71 0.96 -3.86 2 0 1000.00 -999 ? >SER.X 481 12.31 2.29 -9.05 12.17 -0.13 -9.27 12.24 1.08 -9.16 2 0 1000.00 -999 ? >ARG.X 482 5.31 1.98 -7.27 3.08 -0.08 -7.20 4.20 0.95 -7.24 2 0 1000.00 -999 ? >ARG.X 483 9.10 5.01 -14.95 8.66 3.47 -17.56 8.88 4.24 -16.26 2 0 1000.00 -999 ? >PHE.X 484 3.90 4.22 -14.61 4.88 5.34 -16.99 4.39 4.78 -15.80 3 0 1000.00 -999 ? >TRP^X 485 1.79 4.49 -6.11 5.16 6.28 -7.10 3.48 5.39 -6.61 3 0 1000.00 -999 ? >GLN^X 486 -1.64 0.29 -11.03 -2.18 0.19 -13.09 -1.91 0.24 -12.06 2 0 1000.00 -999 ? >CYH^X 487 -5.58 4.34 -8.87 -3.95 6.58 -8.57 -4.77 5.46 -8.72 2 0 1000.00 -999 ? >CYH^X 488 -9.27 3.63 -8.86 -9.32 1.18 -7.54 -9.30 2.40 -8.20 2 0 1000.00 -999 ? >LEU^X 489 -11.06 7.30 -11.40 -11.64 9.31 -11.95 -11.35 8.31 -11.67 3 0 1000.00 -999 ? >TYR^X 490 -14.59 5.00 -6.65 -13.43 2.72 -5.55 -14.01 3.86 -6.10 3 0 1000.00 -999 ? >GLU^X 491 -19.59 6.26 -10.19 -21.45 5.52 -10.92 -20.52 5.89 -10.56 2 0 1000.00 -999 ? >GLU^X 492 -21.12 6.91 -6.84 -22.43 5.38 -6.02 -21.78 6.15 -6.43 2 0 1000.00 -999 ? >PRO.X 493 -19.11 12.44 -4.19 -18.01 10.46 -4.20 -18.56 11.45 -4.20 3 0 1000.00 -999 ? >GLY.X 494 -16.25 8.54 -0.85 -16.17 8.32 -1.65 -16.21 8.43 -1.25 1 0 1000.00 -999 ? >GLY.X 495 -14.89 5.83 -3.11 -15.66 5.88 -2.88 -15.27 5.86 -2.99 1 0 1000.00 -999 ? >ARG^X 496 -21.16 3.81 -2.43 -23.35 4.60 -0.47 -22.25 4.20 -1.45 2 0 1000.00 -999 ? >GLY^X 497 -19.87 2.49 -7.15 -19.05 2.42 -7.09 -19.46 2.45 -7.12 1 0 1000.00 -999 ? >ARG^X 498 -21.24 2.49 -13.55 -20.48 3.42 -16.38 -20.86 2.95 -14.97 2 0 1000.00 -999 ? >TYR^X 499 -14.01 0.91 -9.90 -13.80 -1.88 -9.96 -13.91 -0.48 -9.93 3 0 1000.00 -999 ? >LYS^X 500 -12.25 3.05 -13.68 -13.50 5.95 -16.68 -12.87 4.50 -15.18 2 0 1000.00 -999 ? >LYS^X 501 -8.76 1.84 -13.06 -9.89 -1.14 -8.91 -9.32 0.35 -10.98 2 0 1000.00 -999 ? >LEU^X 502 -6.43 5.74 -13.72 -7.92 7.02 -14.52 -7.17 6.38 -14.12 3 0 1000.00 -999 ? >THR^X 503 -2.25 4.53 -13.94 -1.26 2.97 -15.17 -1.76 3.75 -14.55 2 0 1000.00 -999 ? >GLY^X 504 0.04 7.55 -14.02 0.22 7.12 -13.32 0.13 7.34 -13.67 1 0 1000.00 -999 ? >TYR^X 505 3.97 10.23 -14.35 5.30 9.22 -16.64 4.64 9.72 -15.49 3 0 1000.00 -999 ? >LEU^X 506 2.88 10.36 -7.52 1.25 9.44 -6.51 2.07 9.90 -7.01 3 0 1000.00 -999 ? >ILE^X 507 3.90 15.60 -9.71 4.02 16.18 -10.87 3.96 15.89 -10.29 3 0 1000.00 -999 ? >LYS^X 508 5.01 16.34 -5.23 9.42 17.37 -1.52 7.21 16.86 -3.37 2 0 1000.00 -999 ? >MET?X 509 2.51 19.16 -4.61 -1.01 18.51 -3.00 0.75 18.83 -3.80 2 0 1000.00 -999 ? >SER.X 510 5.23 21.75 -4.13 7.07 20.67 -3.00 6.15 21.21 -3.57 2 0 1000.00 -999 ? >GLU.X 511 8.11 19.01 -7.52 10.18 19.26 -8.11 9.15 19.14 -7.81 2 0 1000.00 -999 ? >ILE.X 512 2.03 21.75 -9.09 1.91 21.42 -10.46 1.97 21.58 -9.77 3 0 1000.00 -999 ? >TYR.X 513 -0.57 23.45 -6.28 -2.56 22.35 -7.93 -1.57 22.90 -7.10 3 0 1000.00 -999 ? >GLY.X 516 1.42 26.61 -0.23 1.01 27.15 -0.74 1.21 26.88 -0.48 1 0 1000.00 -999 ? >ASN.X 517 -1.68 28.78 -2.56 -3.57 29.68 -2.92 -2.62 29.23 -2.74 2 0 1000.00 -999 ? >PHE.X 518 -2.18 22.90 -2.40 -0.72 22.19 -0.13 -1.45 22.54 -1.26 3 0 1000.00 -999 ? >PRO.X 519 -6.30 22.28 -6.13 -6.63 23.10 -4.04 -6.47 22.69 -5.09 3 0 1000.00 -999 ? >ASP.X 520 -9.92 20.02 -0.97 -10.32 21.62 0.30 -10.12 20.82 -0.34 2 0 1000.00 -999 ? >ASP.X 521 -7.49 15.35 -1.22 -5.52 15.50 -0.45 -6.50 15.43 -0.83 2 0 1000.00 -999 ? >SER.X 522 -9.87 14.51 -4.86 -10.40 13.19 -6.80 -10.13 13.85 -5.83 2 0 1000.00 -999 ? >LEU.X 523 -14.47 13.75 -3.62 -15.19 15.09 -2.10 -14.83 14.42 -2.86 3 0 1000.00 -999 ? >PHE.X 524 -14.61 12.00 -7.74 -16.85 13.64 -7.60 -15.73 12.82 -7.67 3 0 1000.00 -999 ? >LEU^X 525 -8.44 9.79 -7.28 -6.75 9.34 -8.42 -7.59 9.57 -7.85 3 0 1000.00 -999 ? >LYS^X 526 -8.09 6.24 -4.49 -9.95 0.73 -2.70 -9.02 3.48 -3.60 2 0 1000.00 -999 ? >VAL^X 527 -4.36 5.43 -4.93 -2.60 6.79 -4.95 -3.48 6.11 -4.94 3 0 1000.00 -999 ? >ILE.X 528 -3.57 0.62 -5.44 -4.85 0.02 -5.09 -4.21 0.32 -5.27 3 0 1000.00 -999 ?