==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 03-OCT-11 3U2H . COMPND 2 MOLECULE: S-LAYER PROTEIN MA0829; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA ACETIVORANS; . AUTHOR S.CHAN,T.PHAN,C.J.AHN,A.SHIN,L.ROHLIN,R.P.GUNSALUS,M.A.ARBIN . 256 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12431.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 67.6 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 . 122 47.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 28 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 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 . 5 5 2 1 7 2 0 1 1 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 . 2 2 2 2 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 1 297 A E 0 0 118 0, 0.0 2,-0.5 0, 0.0 257,-0.2 0.000 360.0 360.0 360.0 117.6 3.6 -25.4 -3.6 2 298 A I E -A 257 0A 86 255,-2.1 255,-1.8 18,-0.0 20,-0.2 -0.978 360.0-156.1-116.4 111.9 2.7 -22.3 -1.6 3 299 A R E -A 256 0A 159 -2,-0.5 18,-0.7 253,-0.2 253,-0.2 -0.466 5.4-149.2 -88.0 159.5 3.5 -19.0 -3.5 4 300 A G B -E 20 0B 5 251,-2.0 16,-0.3 16,-0.2 15,-0.1 -0.597 48.1 -54.7-109.3 179.1 4.2 -15.5 -2.2 5 301 A Q - 0 0 124 14,-2.8 -1,-0.2 -2,-0.2 2,-0.2 -0.241 61.6-105.8 -60.4 145.4 3.5 -12.2 -3.9 6 302 A V - 0 0 79 248,-0.1 2,-0.4 -3,-0.1 248,-0.2 -0.451 27.5-145.8 -72.5 137.0 4.9 -11.7 -7.4 7 303 A A E -B 253 0A 1 246,-3.2 246,-1.9 -2,-0.2 2,-0.3 -0.898 15.4-164.7-100.2 137.5 7.9 -9.3 -7.8 8 304 A S E +B 252 0A 77 -2,-0.4 3,-0.4 244,-0.2 244,-0.2 -0.921 42.5 2.1-121.9 148.5 8.2 -7.2 -11.0 9 305 A G S S- 0 0 27 242,-1.9 241,-0.1 -2,-0.3 -2,-0.0 -0.107 90.8 -64.4 77.9-170.9 11.1 -5.3 -12.5 10 306 A F S S+ 0 0 85 31,-0.0 31,-0.3 242,-0.0 -1,-0.2 0.228 94.5 98.8-106.2 8.9 14.7 -4.9 -11.5 11 307 A G S S- 0 0 41 -3,-0.4 2,-0.1 1,-0.2 30,-0.0 -0.118 83.2 -67.0 -83.8-174.3 14.3 -3.0 -8.2 12 308 A D - 0 0 106 28,-0.1 2,-0.3 27,-0.0 27,-0.2 -0.350 47.4-164.4 -73.2 160.6 14.5 -4.4 -4.6 13 309 A Q E -F 38 0C 47 25,-1.8 25,-2.3 -3,-0.1 2,-0.3 -0.975 5.5-167.6-145.9 151.1 11.9 -6.8 -3.2 14 310 A S E -F 37 0C 77 -2,-0.3 2,-0.4 23,-0.2 23,-0.2 -0.993 1.2-165.6-147.3 133.1 10.9 -7.9 0.3 15 311 A W E +F 36 0C 6 21,-2.8 21,-2.2 -2,-0.3 2,-0.2 -0.980 13.4 162.5-121.4 137.2 8.7 -10.7 1.6 16 312 A D > - 0 0 68 -2,-0.4 4,-1.6 19,-0.2 3,-0.3 -0.661 58.7 -76.1-128.4-171.2 7.3 -11.3 5.1 17 313 A A T 4 S+ 0 0 14 17,-0.5 6,-0.1 1,-0.2 18,-0.1 0.853 128.4 54.6 -59.1 -38.9 4.4 -13.5 6.4 18 314 A S T 4 S+ 0 0 109 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.891 119.5 32.8 -63.2 -36.8 1.7 -11.1 5.2 19 315 A S T 4 S+ 0 0 17 -3,-0.3 -14,-2.8 1,-0.2 2,-0.4 0.514 121.6 49.9 -99.9 -5.5 3.1 -11.2 1.6 20 316 A F B >< -E 4 0B 1 -4,-1.6 3,-1.8 -16,-0.3 -1,-0.2 -0.848 60.3-167.5-139.3 101.2 4.4 -14.8 1.6 21 317 A A T 3 S+ 0 0 74 -18,-0.7 -17,-0.1 -2,-0.4 4,-0.1 0.609 83.3 71.8 -61.8 -15.9 2.0 -17.5 2.8 22 318 A G T 3 S+ 0 0 7 -20,-0.2 -1,-0.3 233,-0.1 2,-0.2 0.688 81.1 89.1 -74.9 -20.7 4.8 -20.1 3.1 23 319 A F S < S- 0 0 8 -3,-1.8 2,-0.1 -7,-0.2 -7,-0.0 -0.489 93.9 -91.6 -76.2 151.1 6.3 -18.4 6.1 24 320 A Y + 0 0 30 -2,-0.2 9,-0.5 58,-0.1 10,-0.3 -0.371 50.6 171.7 -59.1 131.1 5.3 -19.3 9.6 25 321 A Y - 0 0 104 7,-0.1 2,-0.6 56,-0.1 7,-0.2 -0.975 21.0-157.8-142.6 137.1 2.4 -17.2 10.9 26 322 A D B >> -J 31 0D 35 5,-2.5 5,-1.7 -2,-0.3 4,-1.2 -0.936 3.6-168.5-116.3 109.6 0.4 -17.7 14.1 27 323 A I T 45S+ 0 0 122 -2,-0.6 -1,-0.1 2,-0.2 5,-0.0 0.837 82.5 56.1 -71.7 -35.3 -3.0 -16.1 14.0 28 324 A D T 45S+ 0 0 142 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.905 122.8 27.8 -63.1 -41.8 -4.0 -16.4 17.7 29 325 A D T 45S- 0 0 39 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.528 102.8-132.7 -93.6 -8.7 -0.8 -14.5 18.8 30 326 A N T <5 + 0 0 114 -4,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.927 55.6 148.0 56.7 49.4 -0.6 -12.5 15.5 31 327 A V B < +J 26 0D 20 -5,-1.7 -5,-2.5 27,-0.1 2,-0.3 -0.923 22.5 156.3-125.5 138.3 3.1 -13.4 15.2 32 328 A S - 0 0 53 -2,-0.4 -7,-0.1 -7,-0.2 44,-0.0 -0.952 12.9-174.8-147.2 164.6 5.6 -14.0 12.5 33 329 A T + 0 0 16 -9,-0.5 23,-1.2 -2,-0.3 2,-0.3 0.532 47.4 96.5-138.0 -9.5 9.4 -13.7 12.3 34 330 A E E + G 0 55C 2 -10,-0.3 -17,-0.5 21,-0.2 2,-0.3 -0.631 36.0 174.9-105.2 144.8 10.7 -14.3 8.8 35 331 A T E - G 0 54C 45 19,-2.1 19,-2.3 -2,-0.3 2,-0.4 -0.995 13.0-162.1-140.9 150.6 11.7 -12.1 5.8 36 332 A L E -FG 15 53C 0 -21,-2.2 -21,-2.8 -2,-0.3 2,-0.4 -0.996 17.0-175.6-127.4 124.8 13.3 -12.7 2.4 37 333 A T E -FG 14 52C 34 15,-2.2 15,-2.2 -2,-0.4 2,-0.4 -0.949 16.2-159.6-122.8 144.2 14.9 -9.7 0.5 38 334 A V E +FG 13 51C 0 -25,-2.3 -25,-1.8 -2,-0.4 2,-0.3 -0.991 25.9 169.4-117.7 126.9 16.4 -9.4 -2.9 39 335 A S + 0 0 31 11,-1.8 -28,-0.1 -2,-0.4 -27,-0.0 -0.934 44.9 20.9-135.5 154.2 18.7 -6.4 -3.4 40 336 A D - 0 0 119 -2,-0.3 -1,-0.1 1,-0.2 10,-0.1 0.813 68.2-168.2 65.8 38.1 21.2 -5.0 -5.9 41 337 A L - 0 0 28 -31,-0.3 2,-0.6 5,-0.1 5,-0.2 -0.304 18.0-161.2 -59.1 135.4 20.2 -6.7 -9.1 42 338 A D B > S-K 45 0E 129 3,-2.8 3,-1.8 0, 0.0 2,-0.5 -0.876 74.6 -57.6-106.8 94.0 22.5 -6.5 -12.1 43 339 A G T 3 S- 0 0 33 -2,-0.6 -2,-0.0 1,-0.3 208,-0.0 -0.619 119.3 -22.8 66.6-120.6 19.8 -7.5 -14.6 44 340 A N T 3 S+ 0 0 32 -2,-0.5 183,-3.1 -3,-0.1 2,-0.6 0.334 117.5 102.8-100.8 6.2 18.6 -10.9 -13.4 45 341 A V E < -KL 42 226E 39 -3,-1.8 -3,-2.8 181,-0.2 181,-0.2 -0.821 59.0-153.8 -94.9 118.9 21.8 -11.6 -11.4 46 342 A I E - L 0 225E 0 179,-3.4 179,-2.7 -2,-0.6 -5,-0.1 -0.818 22.7-134.0 -83.8 127.0 21.6 -11.2 -7.7 47 343 A P > - 0 0 42 0, 0.0 3,-2.5 0, 0.0 4,-0.4 -0.291 36.6 -68.8 -78.4 167.7 25.1 -10.4 -6.3 48 344 A E T 3 S+ 0 0 134 1,-0.3 174,-0.2 174,-0.2 176,-0.1 -0.275 126.1 17.2 -49.9 132.4 26.8 -12.0 -3.3 49 345 A G T 3 S+ 0 0 36 172,-2.5 -1,-0.3 174,-0.2 173,-0.1 0.334 99.6 104.9 81.4 -5.7 25.0 -10.8 -0.2 50 346 A G < + 0 0 3 -3,-2.5 -11,-1.8 171,-0.2 2,-0.6 0.677 66.0 63.0 -83.2 -22.5 22.0 -9.7 -2.2 51 347 A L E S+G 38 0C 0 -4,-0.4 170,-1.1 -13,-0.2 2,-0.5 -0.943 72.2 179.0-107.6 115.0 19.6 -12.6 -1.3 52 348 A V E -GH 37 220C 30 -15,-2.2 -15,-2.2 -2,-0.6 2,-0.4 -0.966 20.5-169.5-130.4 117.3 18.9 -12.4 2.4 53 349 A Y E -GH 36 219C 0 166,-3.1 166,-3.0 -2,-0.5 2,-0.3 -0.898 19.4-176.4 -97.7 134.8 16.8 -14.6 4.7 54 350 A T E -GH 35 218C 24 -19,-2.3 -19,-2.1 -2,-0.4 2,-0.3 -0.982 12.0-177.7-132.3 145.0 16.3 -13.2 8.2 55 351 A T E -GH 34 217C 0 162,-2.5 162,-2.8 -2,-0.3 2,-0.4 -0.991 3.4-171.5-144.9 140.2 14.5 -14.5 11.3 56 352 A T E - H 0 216C 51 -23,-1.2 22,-0.3 -2,-0.3 160,-0.2 -0.976 31.0-104.0-131.2 137.5 14.1 -12.8 14.7 57 353 A I - 0 0 18 158,-2.4 2,-0.3 -2,-0.4 20,-0.2 -0.334 36.1-171.7 -59.8 136.2 12.7 -14.2 18.0 58 354 A A E -M 76 0F 22 18,-2.5 18,-3.0 -27,-0.0 2,-0.4 -0.900 15.8-132.1-121.6 158.6 9.1 -13.1 19.0 59 355 A D E -M 75 0F 71 -2,-0.3 2,-0.3 16,-0.2 14,-0.0 -0.929 22.2-178.0-117.1 137.7 7.3 -13.8 22.3 60 356 A V E -M 74 0F 5 14,-2.5 14,-2.8 -2,-0.4 3,-0.1 -0.956 32.1-100.5-131.8 149.7 3.8 -15.1 22.6 61 357 A D E -M 73 0F 68 -2,-0.3 12,-0.3 12,-0.3 4,-0.1 -0.380 42.6-104.9 -66.9 144.7 1.6 -15.8 25.6 62 358 A F E - 0 0 15 10,-1.6 -1,-0.1 2,-0.2 126,-0.1 -0.374 28.0-116.8 -59.7 149.1 1.3 -19.4 26.8 63 359 A E E S+ 0 0 90 1,-0.2 2,-1.3 124,-0.1 40,-0.2 0.927 117.6 56.7 -53.3 -48.6 -2.1 -21.0 25.9 64 360 A Y E S- 0 0 20 38,-0.5 2,-0.4 123,-0.1 -1,-0.2 -0.746 88.8-166.7 -81.2 91.3 -2.6 -21.2 29.6 65 361 A Y E + 0 0 124 -2,-1.3 7,-0.2 -4,-0.1 8,-0.1 -0.698 27.3 141.1 -87.0 131.8 -2.1 -17.4 30.3 66 362 A N E >>> -M 71 0F 45 5,-2.3 5,-2.3 -2,-0.4 3,-1.7 -0.331 22.0-179.8-171.9 77.3 -1.7 -16.5 34.0 67 363 A P G >45S+ 0 0 72 0, 0.0 3,-1.0 0, 0.0 5,-0.1 0.831 87.7 59.9 -49.8 -38.3 0.8 -13.7 34.9 68 364 A D G 345S+ 0 0 165 1,-0.2 4,-0.1 3,-0.1 -2,-0.0 0.714 109.5 43.5 -66.2 -20.7 -0.0 -14.2 38.7 69 365 A A G <45S- 0 0 33 -3,-1.7 -1,-0.2 2,-0.1 84,-0.2 0.417 125.0-101.5 -98.4 -1.9 1.2 -17.8 38.4 70 366 A G T <<5S+ 0 0 52 -3,-1.0 2,-0.9 -4,-0.5 -2,-0.1 0.625 82.2 130.2 87.2 15.7 4.3 -16.9 36.3 71 367 A W E < +M 66 0F 0 -5,-2.3 -5,-2.3 1,-0.1 -1,-0.2 -0.820 24.0 130.2-100.5 90.4 2.8 -18.0 32.9 72 368 A D E - 0 0 47 -2,-0.9 -10,-1.6 1,-0.4 2,-0.3 0.705 62.4 -23.7-103.0 -92.4 3.6 -14.9 30.7 73 369 A Q E -M 61 0F 102 -12,-0.3 -1,-0.4 -8,-0.1 -12,-0.3 -0.780 43.3-155.3-123.2 163.9 5.2 -15.5 27.3 74 370 A Y E -M 60 0F 16 -14,-2.8 -14,-2.5 -2,-0.3 2,-0.2 -0.964 31.0-106.1-133.0 154.8 7.4 -18.1 25.5 75 371 A P E -M 59 0F 12 0, 0.0 2,-0.3 0, 0.0 -16,-0.2 -0.527 33.8-176.1 -86.4 145.9 9.8 -17.4 22.6 76 372 A V E -M 58 0F 0 -18,-3.0 -18,-2.5 -2,-0.2 2,-0.3 -0.960 4.2-174.3-135.6 156.2 9.0 -18.5 19.0 77 373 A M E -N 84 0G 0 7,-2.5 7,-1.9 -2,-0.3 2,-0.3 -0.921 22.7-133.1-155.0 122.3 11.0 -18.4 15.8 78 374 A G E -N 83 0G 0 -2,-0.3 2,-0.4 -22,-0.3 5,-0.2 -0.572 24.3-176.0 -65.3 134.4 10.2 -19.2 12.2 79 375 A F E > S-N 82 0G 11 3,-2.1 3,-1.1 -2,-0.3 -2,-0.0 -0.870 72.5 -28.7-139.2 104.8 13.1 -21.2 10.7 80 376 A F T 3 S- 0 0 13 -2,-0.4 3,-0.1 1,-0.2 -25,-0.0 0.902 125.6 -48.5 48.4 50.2 12.6 -22.0 7.0 81 377 A A T 3 S+ 0 0 22 1,-0.2 2,-0.4 -57,-0.1 -1,-0.2 0.480 118.5 106.9 79.7 3.7 8.8 -21.8 7.3 82 378 A E E < S-N 79 0G 114 -3,-1.1 -3,-2.1 -58,-0.1 2,-0.2 -0.948 72.7-114.7-116.2 137.0 8.6 -24.1 10.4 83 379 A E E +N 78 0G 42 -2,-0.4 2,-0.3 -5,-0.2 15,-0.2 -0.485 38.9 174.1 -65.2 130.9 7.9 -23.1 14.0 84 380 A Y E -N 77 0G 47 -7,-1.9 -7,-2.5 -2,-0.2 13,-0.2 -0.941 24.6-137.4-130.8 158.6 10.8 -23.5 16.4 85 381 A I E -O 96 0H 1 11,-3.2 11,-1.9 -2,-0.3 -9,-0.2 -0.970 20.3-130.0-116.5 115.5 11.2 -22.5 20.0 86 382 A P E -O 95 0H 3 0, 0.0 9,-0.3 0, 0.0 6,-0.1 -0.462 10.1-140.7 -64.1 133.3 14.5 -21.0 21.1 87 383 A I S S+ 0 0 16 7,-2.0 81,-0.3 1,-0.2 8,-0.1 0.770 99.2 38.1 -68.0 -23.2 15.7 -22.9 24.2 88 384 A N S > S- 0 0 44 6,-0.6 3,-2.7 3,-0.5 -1,-0.2 -0.974 86.6-138.7-127.6 116.0 16.9 -19.5 25.5 89 385 A P T 3 S+ 0 0 58 0, 0.0 -13,-0.1 0, 0.0 -2,-0.1 0.511 100.6 46.9 -58.0 -7.3 14.5 -16.6 24.6 90 386 A D T 3 S+ 0 0 117 1,-0.1 2,-0.5 -15,-0.1 126,-0.1 0.381 101.1 74.0-110.9 1.2 17.3 -14.1 23.7 91 387 A K X - 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