==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 20-AUG-10 3OIZ . COMPND 2 MOLECULE: ANTISIGMA-FACTOR ANTAGONIST, STAS; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; . AUTHOR C.CHANG,N.MARSHALL,L.FREEMAN,A.JOACHIMIAK,MIDWEST CENTER FOR . 92 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5725.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 71 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 18.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 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 . 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 . 9 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 0 0 0 1 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 . 0 0 0 0 0 0 1 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 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 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 1 387 A S 0 0 85 0, 0.0 3,-0.2 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 154.7 34.8 21.0 1.4 2 388 A N + 0 0 113 1,-0.1 3,-0.4 2,-0.1 28,-0.0 0.068 360.0 109.3-108.2 25.7 32.2 20.9 4.1 3 389 A A S S+ 0 0 81 1,-0.2 -1,-0.1 3,-0.0 3,-0.0 0.805 83.0 38.6 -64.9 -28.6 29.5 19.4 1.8 4 390 A L S S+ 0 0 105 -3,-0.2 21,-2.7 21,-0.1 2,-0.3 0.436 117.3 39.0-109.8 -2.3 29.5 16.0 3.4 5 391 A F E -A 24 0A 16 -3,-0.4 2,-0.3 19,-0.3 19,-0.2 -0.956 58.8-159.5-144.5 163.2 29.9 16.8 7.1 6 392 A G E -A 23 0A 19 17,-2.6 17,-2.6 -2,-0.3 2,-0.4 -0.984 2.1-160.5-142.8 149.5 28.7 19.3 9.6 7 393 A V E +A 22 0A 35 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.997 15.0 168.6-131.4 130.1 29.9 20.5 13.1 8 394 A T E -A 21 0A 95 13,-2.0 13,-3.1 -2,-0.4 2,-0.3 -0.867 13.0-159.8-127.9 169.0 27.7 22.3 15.6 9 395 A S E -A 20 0A 45 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.952 11.2-155.4-146.6 165.2 28.4 23.1 19.2 10 396 A E E -A 19 0A 116 9,-1.8 9,-2.6 -2,-0.3 2,-0.4 -0.981 14.2-145.0-144.0 131.0 26.7 24.0 22.5 11 397 A L E -A 18 0A 78 -2,-0.4 7,-0.2 7,-0.2 5,-0.0 -0.796 25.2-113.0 -97.1 139.1 28.3 25.9 25.4 12 398 A S > - 0 0 34 5,-2.9 3,-1.8 -2,-0.4 -1,-0.1 -0.193 31.7-105.7 -61.0 158.7 27.4 25.1 29.1 13 399 A K T 3 S+ 0 0 221 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.850 123.1 49.9 -58.8 -33.2 25.5 27.6 31.1 14 400 A D T 3 S- 0 0 101 1,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.510 108.8-125.4 -83.0 -3.6 28.6 28.4 33.1 15 401 A G S < S+ 0 0 25 -3,-1.8 -2,-0.1 2,-0.2 30,-0.1 0.474 83.1 109.2 75.8 6.6 30.6 28.8 29.8 16 402 A R S S+ 0 0 135 28,-0.1 29,-2.7 1,-0.1 30,-2.1 0.647 71.4 43.6 -90.3 -16.0 33.2 26.3 31.1 17 403 A E E - b 0 46A 38 28,-0.2 -5,-2.9 27,-0.2 2,-0.4 -0.994 59.0-168.7-132.3 136.8 32.4 23.4 28.7 18 404 A R E -Ab 11 47A 45 28,-1.7 30,-2.2 -2,-0.4 2,-0.5 -0.991 7.9-156.9-121.9 131.7 31.7 23.2 25.0 19 405 A I E -Ab 10 48A 39 -9,-2.6 -9,-1.8 -2,-0.4 2,-0.4 -0.947 6.9-159.6-103.7 125.9 30.4 20.1 23.3 20 406 A Y E -Ab 9 49A 8 28,-3.2 30,-3.3 -2,-0.5 2,-0.6 -0.884 3.7-157.4 -99.9 134.7 31.1 19.8 19.5 21 407 A R E -Ab 8 50A 82 -13,-3.1 -13,-2.0 -2,-0.4 2,-0.4 -0.953 7.0-166.3-116.5 117.1 28.8 17.5 17.6 22 408 A V E +A 7 0A 3 28,-3.0 31,-0.7 -2,-0.6 2,-0.3 -0.871 10.1 176.9-104.8 133.3 30.2 16.2 14.3 23 409 A E E +Ab 6 53A 104 -17,-2.6 -17,-2.6 -2,-0.4 31,-0.3 -0.985 38.9 21.6-136.1 147.0 27.9 14.5 11.7 24 410 A G E S-Ab 5 54A 8 29,-2.1 31,-2.6 -2,-0.3 2,-0.4 -0.685 96.3 -17.3 102.9-152.3 28.4 13.0 8.3 25 411 A Q E - b 0 55A 56 -21,-2.7 2,-0.6 -2,-0.3 31,-0.2 -0.799 46.0-160.1-108.0 128.7 31.6 11.8 6.4 26 412 A L E + b 0 56A 6 29,-3.0 31,-2.9 -2,-0.4 32,-0.4 -0.946 22.6 164.6-111.9 115.1 35.2 12.7 7.3 27 413 A F > - 0 0 72 -2,-0.6 3,-2.1 29,-0.2 4,-0.2 -0.889 50.5-108.2-125.9 159.1 37.7 12.2 4.5 28 414 A Y G > S+ 0 0 157 -2,-0.3 3,-1.3 1,-0.3 4,-0.3 0.805 115.0 65.5 -59.2 -30.8 41.3 13.4 4.0 29 415 A A G 3 S+ 0 0 71 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.722 105.0 43.5 -63.7 -21.9 40.1 15.9 1.4 30 416 A S G <> S+ 0 0 11 -3,-2.1 4,-2.6 1,-0.1 -1,-0.2 0.182 76.4 112.5-110.2 18.0 38.1 17.9 4.1 31 417 A V H <> S+ 0 0 39 -3,-1.3 4,-2.7 1,-0.2 5,-0.2 0.916 78.7 50.0 -58.2 -44.0 40.7 17.9 6.9 32 418 A E H > S+ 0 0 167 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.919 111.8 48.2 -65.2 -38.7 41.3 21.7 6.6 33 419 A D H > S+ 0 0 60 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.898 110.4 52.5 -64.2 -40.9 37.5 22.3 6.8 34 420 A F H >< S+ 0 0 5 -4,-2.6 3,-1.3 1,-0.2 4,-0.3 0.936 109.7 48.0 -59.9 -49.6 37.2 20.0 9.8 35 421 A X H >< S+ 0 0 40 -4,-2.7 3,-1.7 1,-0.3 -2,-0.2 0.908 105.6 58.9 -57.0 -39.5 40.0 21.9 11.6 36 422 A A H 3< S+ 0 0 82 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.606 90.4 73.5 -69.4 -13.5 38.4 25.2 10.9 37 423 A A T << S+ 0 0 37 -3,-1.3 2,-0.3 -4,-0.6 -1,-0.3 0.680 87.6 73.9 -70.2 -19.2 35.2 24.1 12.7 38 424 A F < - 0 0 14 -3,-1.7 2,-1.0 -4,-0.3 3,-0.1 -0.747 68.6-144.9-106.2 143.1 36.8 24.4 16.1 39 425 A D > + 0 0 69 -2,-0.3 3,-1.1 1,-0.2 -3,-0.1 -0.804 22.7 177.0-101.2 92.6 37.6 27.5 18.2 40 426 A F T 3 S+ 0 0 29 -2,-1.0 -1,-0.2 1,-0.2 35,-0.0 0.718 71.9 60.9 -71.0 -19.0 40.8 26.3 19.9 41 427 A R T 3 S+ 0 0 192 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.575 73.8 119.2 -90.6 -4.4 41.4 29.7 21.6 42 428 A E S < S- 0 0 43 -3,-1.1 2,-1.1 1,-0.1 33,-0.0 -0.275 74.6-113.3 -63.3 138.6 38.2 29.7 23.7 43 429 A A + 0 0 95 33,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.669 59.0 153.8 -72.4 101.4 38.7 29.8 27.5 44 430 A L - 0 0 16 -2,-1.1 -27,-0.2 31,-0.2 -28,-0.1 -0.956 45.5-160.0-132.5 146.1 37.3 26.4 28.4 45 431 A D S S+ 0 0 69 -29,-2.7 33,-2.7 -2,-0.3 2,-0.3 0.793 86.1 19.6 -86.4 -33.7 37.8 23.8 31.2 46 432 A R E -bc 17 78A 78 -30,-2.1 -28,-1.7 31,-0.3 2,-0.4 -0.988 58.6-169.9-140.7 144.6 36.3 20.9 29.2 47 433 A V E -bc 18 79A 1 31,-2.5 33,-2.2 -2,-0.3 2,-0.5 -1.000 5.2-165.0-131.3 135.1 35.7 20.1 25.6 48 434 A V E -bc 19 80A 5 -30,-2.2 -28,-3.2 -2,-0.4 2,-0.6 -0.977 3.6-162.4-113.1 132.0 33.7 17.1 24.3 49 435 A I E -bc 20 81A 0 31,-2.6 33,-2.3 -2,-0.5 2,-0.8 -0.947 10.0-161.6-113.0 111.4 34.0 16.1 20.6 50 436 A D E +bc 21 82A 30 -30,-3.3 -28,-3.0 -2,-0.6 3,-0.2 -0.818 23.7 162.6 -98.4 109.1 31.0 13.9 19.8 51 437 A V E > + 0 0 0 31,-3.0 3,-2.2 -2,-0.8 32,-0.2 0.180 39.6 114.6-108.7 18.4 31.6 11.9 16.6 52 438 A S E 3 S+ 0 0 42 30,-0.4 -1,-0.1 1,-0.3 31,-0.1 0.765 82.0 44.9 -60.1 -27.6 28.8 9.3 17.3 53 439 A R E 3 S+b 23 0A 205 -31,-0.7 -29,-2.1 -3,-0.2 -1,-0.3 0.141 104.6 81.4-103.7 17.3 27.0 10.5 14.2 54 440 A A E < -b 24 0A 1 -3,-2.2 2,-0.5 -31,-0.3 -29,-0.2 -0.777 66.0-139.1-119.3 165.2 30.0 10.7 11.9 55 441 A H E -b 25 0A 75 -31,-2.6 -29,-3.0 -2,-0.3 2,-0.6 -0.994 10.7-152.5-124.8 119.7 32.0 8.2 9.8 56 442 A I E -b 26 0A 0 31,-2.7 -29,-0.2 -2,-0.5 34,-0.1 -0.848 14.4-178.0 -89.5 122.4 35.8 8.5 9.7 57 443 A W + 0 0 76 -31,-2.9 35,-0.9 -2,-0.6 2,-0.3 0.615 55.5 18.1-101.9 -12.3 37.0 7.1 6.4 58 444 A D S > S- 0 0 28 -32,-0.4 4,-1.7 33,-0.2 3,-0.3 -0.962 74.9-104.4-155.2 169.2 40.7 7.3 6.5 59 445 A I H > S+ 0 0 92 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.837 114.8 60.9 -75.6 -27.2 43.7 7.6 8.8 60 446 A S H > S+ 0 0 52 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 105.9 48.9 -59.4 -37.0 44.3 11.3 7.8 61 447 A S H > S+ 0 0 4 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.871 109.9 50.9 -76.0 -34.5 40.9 12.0 9.2 62 448 A V H X S+ 0 0 19 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.944 110.7 49.1 -59.8 -47.6 41.7 10.1 12.4 63 449 A Q H X S+ 0 0 120 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.847 108.5 54.4 -63.6 -32.2 44.9 12.1 12.7 64 450 A A H X S+ 0 0 7 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.915 108.9 46.9 -67.1 -43.8 42.9 15.4 12.2 65 451 A L H X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.939 112.4 50.7 -59.6 -44.7 40.6 14.4 15.0 66 452 A D H X S+ 0 0 84 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.888 110.3 50.2 -60.5 -40.6 43.6 13.6 17.2 67 453 A X H X S+ 0 0 93 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.886 108.4 51.0 -65.3 -39.7 45.2 17.0 16.3 68 454 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.937 112.6 47.9 -63.4 -45.7 41.9 18.9 17.2 69 455 A V H X S+ 0 0 7 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.945 112.2 48.5 -56.0 -50.4 42.0 17.0 20.6 70 456 A L H X S+ 0 0 65 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.911 109.7 52.7 -58.5 -43.2 45.7 17.8 21.1 71 457 A K H X S+ 0 0 86 -4,-2.9 4,-0.8 1,-0.2 -1,-0.2 0.884 110.0 47.3 -63.9 -41.0 45.1 21.5 20.3 72 458 A F H ><>S+ 0 0 5 -4,-2.3 5,-1.9 2,-0.2 3,-0.6 0.914 112.2 51.1 -61.8 -41.4 42.3 21.8 22.8 73 459 A R H ><5S+ 0 0 137 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.896 107.1 52.6 -64.0 -39.1 44.5 20.1 25.4 74 460 A R H 3<5S+ 0 0 183 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.707 104.0 57.5 -70.1 -18.9 47.4 22.4 24.8 75 461 A E T <<5S- 0 0 109 -4,-0.8 -1,-0.3 -3,-0.6 -31,-0.2 0.382 129.5 -97.2 -91.2 -0.6 45.0 25.4 25.3 76 462 A G T < 5S+ 0 0 62 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.339 78.3 132.1 110.3 -1.5 44.3 23.9 28.8 77 463 A A < - 0 0 11 -5,-1.9 2,-0.5 -31,-0.1 -1,-0.3 -0.503 57.5-126.6 -83.2 147.2 41.0 21.9 28.4 78 464 A E E -c 46 0A 125 -33,-2.7 -31,-2.5 -2,-0.2 2,-0.4 -0.811 40.1-160.0 -80.4 128.9 40.3 18.4 29.5 79 465 A V E +c 47 0A 9 -2,-0.5 2,-0.4 -33,-0.2 -31,-0.2 -0.943 17.7 179.5-124.3 135.7 39.1 16.8 26.3 80 466 A R E -c 48 0A 132 -33,-2.2 -31,-2.6 -2,-0.4 2,-0.4 -0.998 19.0-141.4-132.6 146.1 37.0 13.7 25.7 81 467 A I E -c 49 0A 56 -2,-0.4 2,-0.4 -33,-0.2 -31,-0.2 -0.834 14.8-162.7-100.3 135.7 35.8 12.0 22.5 82 468 A V E S+c 50 0A 43 -33,-2.3 -31,-3.0 -2,-0.4 -30,-0.4 -0.955 72.5 18.8-112.8 136.2 32.3 10.5 22.5 83 469 A G S > S+ 0 0 14 -2,-0.4 4,-2.5 -32,-0.2 5,-0.2 0.660 71.2 140.3 86.5 12.3 31.3 8.0 19.8 84 470 A X H > S+ 0 0 58 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.881 71.4 53.7 -57.3 -41.2 34.8 7.0 18.7 85 471 A N H > S+ 0 0 117 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.968 112.8 42.2 -60.4 -49.2 33.8 3.3 18.3 86 472 A E H >4 S+ 0 0 105 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.915 115.9 49.0 -63.1 -44.0 30.9 4.0 16.0 87 473 A A H >< S+ 0 0 0 -4,-2.5 -31,-2.7 1,-0.2 3,-0.6 0.810 108.2 55.6 -66.7 -27.3 32.8 6.6 14.0 88 474 A S H >< S+ 0 0 40 -4,-1.9 3,-1.7 -3,-0.2 -1,-0.2 0.547 80.8 86.4 -85.0 -9.4 35.8 4.2 13.5 89 475 A E T << S+ 0 0 144 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.1 0.789 91.3 49.4 -63.5 -26.2 33.8 1.3 12.0 90 476 A T T < S+ 0 0 24 -3,-0.6 2,-1.4 -4,-0.3 -1,-0.3 0.382 74.3 120.4 -91.3 2.6 34.2 2.9 8.5 91 477 A X < 0 0 76 -3,-1.7 -34,-0.2 1,-0.2 -33,-0.2 -0.560 360.0 360.0 -80.3 97.9 37.9 3.5 8.8 92 478 A V 0 0 143 -2,-1.4 -1,-0.2 -35,-0.9 -34,-0.1 0.174 360.0 360.0-115.0 360.0 38.9 1.4 5.9