==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-APR-10 3MFB . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ERWINIA CAROTOVORA; . AUTHOR F.FOROUHAR,H.NEELY,J.SEETHARAMAN,S.SAHDEV,R.XIAO, . 600 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32619.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 53.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 22.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.0 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 . 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 . 36 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 4 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 . 5 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 4 12 4 4 0 4 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 . 4 4 8 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 1 331 A X 0 0 109 0, 0.0 2,-0.4 0, 0.0 566,-0.0 0.000 360.0 360.0 360.0 150.1 -14.8 -10.8 -10.2 2 332 A L - 0 0 47 102,-0.1 2,-2.0 564,-0.0 102,-0.2 -0.902 360.0-122.8-117.6 145.4 -12.5 -7.9 -10.9 3 333 A L + 0 0 6 100,-2.5 99,-0.6 -2,-0.4 100,-0.5 -0.345 52.2 167.2 -82.8 58.4 -10.7 -5.5 -8.5 4 334 A T > - 0 0 39 -2,-2.0 4,-2.7 98,-0.2 5,-0.2 -0.045 55.3 -97.0 -65.0 170.3 -12.4 -2.5 -10.0 5 335 A P H > S+ 0 0 55 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.856 127.6 53.9 -59.8 -31.5 -12.3 1.0 -8.4 6 336 A E H > S+ 0 0 139 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.902 108.7 46.5 -68.7 -43.1 -15.8 0.1 -7.0 7 337 A K H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 111.9 50.8 -65.7 -43.6 -14.6 -3.1 -5.5 8 338 A L H X S+ 0 0 4 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.854 110.2 50.6 -61.8 -33.5 -11.6 -1.4 -3.9 9 339 A L H X S+ 0 0 39 -4,-1.6 4,-2.8 -5,-0.2 -1,-0.2 0.839 105.9 55.7 -72.4 -33.4 -13.8 1.2 -2.5 10 340 A E H X S+ 0 0 116 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.888 111.6 44.3 -64.7 -38.8 -16.1 -1.5 -1.1 11 341 A A H <>S+ 0 0 9 -4,-2.0 5,-3.6 2,-0.2 3,-0.4 0.905 114.7 47.9 -72.9 -41.7 -13.0 -2.9 0.7 12 342 A A H ><5S+ 0 0 1 -4,-2.4 3,-2.3 1,-0.2 43,-0.4 0.924 103.1 60.7 -65.8 -45.3 -11.8 0.5 1.9 13 343 A N H 3<5S+ 0 0 103 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.766 113.2 38.3 -55.7 -26.2 -15.1 1.7 3.2 14 344 A K T 3<5S- 0 0 144 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.179 114.3-110.6-110.8 18.7 -15.1 -1.2 5.7 15 345 A Q T < 5S+ 0 0 100 -3,-2.3 -3,-0.2 38,-0.1 -2,-0.1 0.904 72.9 146.9 55.6 40.8 -11.4 -1.2 6.5 16 346 A G < - 0 0 12 -5,-3.6 37,-2.5 37,-0.1 2,-0.3 0.040 38.5-124.9 -92.1-157.8 -11.2 -4.5 4.7 17 347 A T E -A 52 0A 64 35,-0.3 35,-0.2 114,-0.0 -1,-0.1 -0.880 4.8-146.6-145.0 173.7 -8.5 -6.2 2.6 18 348 A V E -A 51 0A 8 33,-1.8 33,-2.8 -2,-0.3 -10,-0.0 -0.987 31.5-104.6-144.8 145.0 -7.7 -7.7 -0.8 19 349 A P E -A 50 0A 34 0, 0.0 87,-0.7 0, 0.0 2,-0.3 -0.267 33.5-173.0 -67.8 157.3 -5.4 -10.6 -1.7 20 350 A S B -b 106 0B 2 29,-1.6 87,-0.2 85,-0.1 22,-0.1 -0.926 27.1-145.8-155.2 129.4 -2.1 -10.0 -3.4 21 351 A R S S+ 0 0 71 85,-2.5 21,-2.4 -2,-0.3 2,-0.4 0.684 91.0 37.5 -66.7 -20.2 0.4 -12.5 -4.8 22 352 A V E -C 41 0C 4 19,-0.2 2,-0.3 84,-0.2 19,-0.2 -0.995 63.1-176.2-138.8 142.7 3.2 -10.3 -3.6 23 353 A R E -C 40 0C 1 17,-1.8 17,-2.3 -2,-0.4 2,-0.3 -0.974 14.3-144.1-135.3 147.6 3.9 -8.1 -0.6 24 354 A Y E +C 39 0C 0 -2,-0.3 105,-0.4 15,-0.2 2,-0.3 -0.780 16.4 176.4-115.5 159.8 6.8 -5.7 0.1 25 355 A Q E -C 38 0C 12 13,-2.5 13,-2.3 -2,-0.3 2,-0.8 -0.985 33.1-119.9-154.7 158.2 8.7 -4.8 3.3 26 356 A W E -C 37 0C 57 121,-0.4 123,-0.5 -2,-0.3 11,-0.2 -0.905 34.6-155.2-105.4 105.2 11.6 -2.7 4.5 27 357 A X E -C 36 0C 77 9,-3.1 9,-2.3 -2,-0.8 2,-0.4 -0.584 7.3-143.4 -82.4 144.1 14.0 -5.1 6.2 28 358 A E E -C 35 0C 125 -2,-0.2 2,-0.9 7,-0.2 7,-0.2 -0.887 9.0-136.6-115.7 141.0 16.3 -3.7 8.8 29 359 A D >> - 0 0 68 5,-2.4 4,-3.3 -2,-0.4 3,-1.8 -0.826 13.2-154.3 -93.0 105.4 19.9 -4.6 9.7 30 360 A E T 34 S+ 0 0 191 -2,-0.9 -1,-0.1 1,-0.3 -2,-0.0 0.544 91.5 55.9 -57.9 -6.6 20.1 -4.8 13.5 31 361 A E T 34 S+ 0 0 176 3,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.632 125.6 11.5-102.4 -17.9 23.8 -4.0 13.3 32 362 A T T <4 S- 0 0 85 -3,-1.8 -2,-0.2 2,-0.2 3,-0.1 0.509 88.9-123.7-133.0 -17.5 23.7 -0.7 11.3 33 363 A G < + 0 0 40 -4,-3.3 -3,-0.1 1,-0.3 0, 0.0 0.356 62.4 144.6 85.5 -7.9 20.1 0.4 11.2 34 364 A R - 0 0 192 -5,-0.3 -5,-2.4 -6,-0.1 -1,-0.3 -0.297 39.3-141.0 -64.1 148.8 20.3 0.4 7.4 35 365 A L E -C 28 0C 67 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.793 13.7-165.1-114.9 157.3 17.2 -0.7 5.6 36 366 A K E -C 27 0C 129 -9,-2.3 -9,-3.1 -2,-0.3 2,-0.3 -0.987 20.4-128.1-144.1 130.9 16.5 -2.7 2.5 37 367 A A E +C 26 0C 19 -2,-0.4 79,-0.4 -11,-0.2 2,-0.3 -0.629 38.2 164.3 -78.5 132.3 13.4 -3.1 0.3 38 368 A V E -C 25 0C 0 -13,-2.3 -13,-2.5 -2,-0.3 2,-0.3 -0.987 19.2-154.0-147.0 149.4 12.5 -6.8 -0.2 39 369 A G E -Cd 24 117C 0 77,-2.2 79,-1.9 -2,-0.3 2,-0.3 -0.772 4.3-152.5-122.3 169.4 9.3 -8.5 -1.5 40 370 A Y E -Cd 23 118C 5 -17,-2.3 -17,-1.8 -2,-0.3 2,-0.6 -0.993 21.3-121.2-142.9 149.1 7.8 -12.0 -1.0 41 371 A H E -C 22 0C 75 77,-0.5 -19,-0.2 -2,-0.3 2,-0.2 -0.812 39.8-143.9 -88.7 121.3 5.5 -14.3 -2.9 42 372 A T - 0 0 21 -21,-2.4 2,-0.5 -2,-0.6 3,-0.1 -0.482 2.0-135.3 -86.8 158.7 2.5 -14.8 -0.7 43 373 A S >> - 0 0 53 -2,-0.2 4,-2.1 1,-0.2 5,-0.6 -0.955 8.2-153.2-119.8 127.8 0.5 -18.0 -0.3 44 374 A X T 45S+ 0 0 168 -2,-0.5 5,-0.2 1,-0.2 -1,-0.2 0.922 104.0 58.0 -57.8 -42.6 -3.3 -18.2 -0.2 45 375 A E T 45S+ 0 0 179 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.909 105.8 50.6 -51.4 -46.8 -2.7 -21.4 1.9 46 376 A S T 45S- 0 0 60 1,-0.1 -2,-0.2 2,-0.0 -1,-0.2 0.951 97.5-138.2 -57.5 -56.8 -0.8 -19.2 4.4 47 377 A G T ><5S+ 0 0 47 -4,-2.1 3,-0.6 0, 0.0 -3,-0.1 0.320 77.4 105.6 107.2 -3.6 -3.4 -16.5 4.8 48 378 A R T 3 < + 0 0 60 -5,-0.6 -4,-0.1 1,-0.2 -3,-0.1 0.131 52.1 90.4 -95.4 25.0 -0.7 -13.8 4.7 49 379 A D T 3 + 0 0 17 -6,-0.3 -29,-1.6 -5,-0.2 2,-0.3 0.445 60.4 105.6 -96.0 -2.4 -1.7 -12.7 1.2 50 380 A Q E < -A 19 0A 72 -3,-0.6 2,-0.4 -31,-0.2 -33,-0.0 -0.614 51.8-162.7 -83.8 136.9 -4.2 -10.1 2.3 51 381 A V E -A 18 0A 0 -33,-2.8 -33,-1.8 -2,-0.3 2,-0.2 -0.969 24.2-113.8-120.1 133.8 -3.4 -6.4 2.1 52 382 A R E -A 17 0A 70 -2,-0.4 80,-2.0 78,-0.4 2,-0.5 -0.429 25.5-152.7 -68.2 134.5 -5.3 -3.7 3.9 53 383 A V E +e 132 0D 0 -37,-2.5 2,-0.4 78,-0.2 80,-0.2 -0.927 17.3 179.1-110.1 129.6 -7.2 -1.3 1.8 54 384 A R E -e 133 0D 30 78,-2.8 80,-3.1 -2,-0.5 2,-0.4 -0.991 26.1-126.9-135.5 142.4 -7.9 2.3 3.2 55 385 A L E -e 134 0D 51 -43,-0.4 80,-0.2 -2,-0.4 2,-0.2 -0.715 25.9-132.3 -87.3 129.5 -9.6 5.3 1.8 56 386 A L - 0 0 3 78,-3.9 2,-0.4 -2,-0.4 11,-0.2 -0.525 17.8-134.7 -77.9 147.3 -7.6 8.6 1.8 57 387 A K E -H 66 0E 149 9,-2.8 9,-3.1 -2,-0.2 2,-0.6 -0.847 13.1-126.6-105.2 140.9 -9.3 11.6 3.2 58 388 A H E -H 65 0E 58 -2,-0.4 2,-0.8 7,-0.2 7,-0.3 -0.760 17.4-164.8 -88.4 123.9 -9.1 15.0 1.5 59 389 A D E >>> +H 64 0E 34 5,-4.0 5,-1.8 -2,-0.6 3,-0.7 -0.813 10.2 177.7-108.2 88.9 -7.9 17.8 3.7 60 390 A F G >45S+ 0 0 136 -2,-0.8 3,-1.3 1,-0.2 -1,-0.2 0.898 75.6 61.6 -60.4 -43.8 -8.8 20.9 1.8 61 391 A P G 345S+ 0 0 115 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.853 118.6 32.1 -53.1 -31.0 -7.5 23.4 4.4 62 392 A N G <45S- 0 0 86 -3,-0.7 -2,-0.2 2,-0.2 3,-0.1 0.404 106.6-126.6-106.6 3.1 -4.1 21.9 3.8 63 393 A N T <<5S+ 0 0 99 -3,-1.3 2,-0.3 -4,-0.5 19,-0.3 0.937 72.0 106.8 50.6 54.2 -4.6 21.0 0.1 64 394 A R E < -H 59 0E 57 -5,-1.8 -5,-4.0 16,-0.2 2,-0.4 -0.968 68.4-123.5-153.5 165.5 -3.6 17.4 0.7 65 395 A Y E -HI 58 79E 13 14,-2.2 14,-2.0 -2,-0.3 2,-0.3 -0.912 38.0-171.9-110.6 138.8 -4.9 13.8 0.9 66 396 A E E -HI 57 78E 19 -9,-3.1 -9,-2.8 -2,-0.4 2,-0.4 -0.969 21.3-158.2-140.7 154.9 -4.1 12.1 4.2 67 397 A F E - I 0 77E 16 10,-2.1 9,-2.5 -2,-0.3 10,-1.7 -0.997 9.3-157.1-130.1 130.3 -4.3 8.7 5.9 68 398 A W - 0 0 112 -2,-0.4 3,-0.1 7,-0.2 -2,-0.0 -0.927 15.5-138.8-108.9 121.5 -4.3 8.2 9.7 69 399 A E > - 0 0 24 -2,-0.5 3,-1.8 5,-0.3 2,-0.2 -0.261 46.4 -71.4 -69.3 166.9 -3.2 4.8 10.9 70 400 A E T 3 S+ 0 0 163 1,-0.3 -1,-0.2 0, 0.0 0, 0.0 -0.418 119.9 5.0 -63.5 125.1 -5.1 3.2 13.8 71 401 A G T 3 S+ 0 0 81 1,-0.2 -1,-0.3 -2,-0.2 2,-0.2 0.585 93.0 150.3 78.3 10.0 -4.5 5.1 17.1 72 402 A A < - 0 0 34 -3,-1.8 -1,-0.2 1,-0.1 4,-0.1 -0.471 41.8-154.9 -77.0 147.6 -2.4 7.7 15.4 73 403 A T S S+ 0 0 149 -2,-0.2 -1,-0.1 1,-0.1 -5,-0.0 0.318 80.3 20.6-101.6 6.1 -2.3 11.2 16.9 74 404 A G S S- 0 0 26 -5,-0.1 -5,-0.3 0, 0.0 -1,-0.1 -0.980 102.7 -65.4-163.7 161.8 -1.4 12.8 13.5 75 405 A P - 0 0 34 0, 0.0 -7,-0.2 0, 0.0 3,-0.1 -0.254 38.1-168.3 -55.8 139.2 -1.5 12.0 9.8 76 406 A T S S+ 0 0 13 -9,-2.5 2,-0.4 1,-0.3 14,-0.3 0.841 70.8 25.4 -96.1 -43.4 0.7 9.1 8.8 77 407 A I E -I 67 0E 0 -10,-1.7 -10,-2.1 11,-0.2 2,-0.3 -0.985 68.2-169.5-127.8 134.4 0.8 9.4 5.0 78 408 A L E -IJ 66 87E 14 9,-3.6 9,-2.3 -2,-0.4 2,-0.3 -0.881 8.7-172.2-122.3 153.7 0.2 12.5 2.9 79 409 A W E -IJ 65 86E 28 -14,-2.0 -14,-2.2 -2,-0.3 7,-0.1 -0.882 5.7-169.6-147.2 109.7 -0.3 13.1 -0.8 80 410 A T > - 0 0 19 5,-0.5 3,-1.7 -2,-0.3 -16,-0.2 -0.909 20.9-144.1-105.2 123.1 -0.4 16.6 -2.2 81 411 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -17,-0.1 0.412 94.4 74.1 -63.7 4.0 -1.6 17.0 -5.9 82 412 A D T 3 S+ 0 0 117 -19,-0.3 -18,-0.0 3,-0.1 -19,-0.0 0.751 120.7 0.1 -88.2 -29.3 1.0 19.8 -6.2 83 413 A N S < S- 0 0 105 -3,-1.7 2,-0.1 2,-0.1 -4,-0.0 0.949 99.7-148.1 -85.5 -71.9 4.0 17.5 -6.3 84 414 A P + 0 0 68 0, 0.0 2,-0.2 0, 0.0 -5,-0.0 0.447 42.0 84.2-104.8-143.1 2.6 14.8 -6.1 85 415 A G S S- 0 0 21 -2,-0.1 -5,-0.5 2,-0.1 2,-0.4 -0.495 76.4 -47.2 120.4 168.7 3.6 11.5 -4.5 86 416 A I E +J 79 0E 9 -2,-0.2 2,-0.3 -7,-0.1 -7,-0.2 -0.625 57.8 170.6 -78.6 128.6 3.7 9.7 -1.2 87 417 A E E -J 78 0E 87 -9,-2.3 -9,-3.6 -2,-0.4 -2,-0.1 -0.990 17.4-157.9-138.6 147.2 5.1 11.7 1.7 88 418 A L - 0 0 25 -2,-0.3 -11,-0.2 2,-0.3 -12,-0.1 -0.961 22.3-137.6-125.5 142.3 5.3 11.1 5.4 89 419 A P S S+ 0 0 81 0, 0.0 2,-0.2 0, 0.0 -12,-0.1 0.613 92.8 65.7 -71.3 -10.1 5.7 13.7 8.3 90 420 A T S S- 0 0 81 -14,-0.3 -2,-0.3 2,-0.1 2,-0.1 -0.512 95.5-111.7-103.2 175.4 8.1 11.3 9.8 91 421 A D + 0 0 173 -2,-0.2 2,-0.3 2,-0.0 -1,-0.0 -0.238 69.4 131.0-102.4 43.4 11.5 10.1 8.5 92 422 A T - 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