==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 03-OCT-12 4HE5 . COMPND 2 MOLECULE: PEPTIDASE FAMILY U32; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS THERMOLEOVORANS; . AUTHOR S.TRILLO-MUYO,A.JASILIONIS,M.J.DOMAGALSKI,M.CHRUSZCZ,W.MINOR . 82 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5013.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 54 65.9 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 . 35 42.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 . 1 1.2 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 . 8 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 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 . 2 1 2 1 1 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 ANTIPARALLEL 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 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 1 339 A R 0 0 263 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-126.1 29.2 30.6 -3.1 2 340 A E - 0 0 75 80,-0.4 80,-2.6 79,-0.2 2,-0.7 -0.053 360.0-113.1 -88.2 156.6 26.7 27.7 -2.8 3 341 A F E +A 81 0A 84 78,-0.2 78,-0.3 1,-0.2 -1,-0.1 -0.619 38.9 169.5 -73.4 108.6 23.9 26.9 -0.6 4 342 A A E - 0 0 0 76,-2.6 18,-2.7 -2,-0.7 19,-1.4 0.717 56.1 -0.9-100.4 -23.6 25.0 23.9 1.4 5 343 A G E -AB 80 21A 0 75,-1.6 75,-2.4 16,-0.3 2,-0.5 -0.988 50.5-133.9-164.7 154.0 22.4 23.5 4.1 6 344 A L E -AB 79 20A 30 14,-2.2 14,-2.8 -2,-0.3 2,-0.3 -0.953 32.8-127.7-107.8 122.7 19.2 24.8 5.6 7 345 A V E + B 0 19A 0 71,-3.0 70,-3.1 -2,-0.5 12,-0.3 -0.581 28.6 175.7 -70.3 130.8 19.2 25.0 9.4 8 346 A L E - 0 0 67 10,-3.1 2,-0.3 1,-0.4 11,-0.2 0.795 61.5 -20.5 -97.6 -42.6 16.3 23.2 11.0 9 347 A G E - B 0 18A 20 9,-1.9 9,-2.7 66,-0.1 -1,-0.4 -0.975 46.5-138.9-160.6 175.0 17.2 23.7 14.6 10 348 A Y E - B 0 17A 58 -2,-0.3 7,-0.2 7,-0.2 3,-0.1 -0.992 13.7-146.7-144.8 130.1 19.7 24.4 17.3 11 349 A D E >> - B 0 16A 68 5,-2.7 4,-2.6 -2,-0.3 5,-0.7 -0.866 5.7-164.1-100.0 109.3 20.0 22.7 20.6 12 350 A P T 45S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.766 84.7 63.0 -68.9 -19.9 21.3 25.1 23.2 13 351 A E T 45S+ 0 0 175 1,-0.2 -2,-0.0 3,-0.1 0, 0.0 0.903 122.9 16.2 -67.3 -42.4 22.3 22.3 25.7 14 352 A T T 45S- 0 0 62 -3,-0.5 -1,-0.2 2,-0.1 3,-0.1 0.563 96.4-123.2-106.5 -14.2 24.8 20.8 23.4 15 353 A G T <5 + 0 0 5 -4,-2.6 55,-2.4 1,-0.3 2,-0.4 0.653 60.6 148.2 74.5 16.5 25.5 23.5 20.8 16 354 A I E < -BC 11 69A 33 -5,-0.7 -5,-2.7 53,-0.2 2,-0.4 -0.721 36.7-151.3 -88.9 126.7 24.5 21.1 18.0 17 355 A A E -BC 10 68A 0 51,-3.0 51,-1.8 -2,-0.4 2,-0.6 -0.815 5.6-146.6 -92.9 140.5 22.9 22.4 14.8 18 356 A T E +BC 9 67A 28 -9,-2.7 -10,-3.1 -2,-0.4 -9,-1.9 -0.955 28.3 176.8-108.1 117.7 20.5 20.1 12.9 19 357 A V E -BC 7 66A 0 47,-3.1 47,-3.1 -2,-0.6 2,-0.5 -0.911 28.2-135.8-124.9 144.7 20.9 21.0 9.2 20 358 A Q E -BC 6 65A 43 -14,-2.8 -14,-2.2 -2,-0.3 45,-0.2 -0.927 34.1-115.2-103.2 123.1 19.3 19.5 6.1 21 359 A Q E +B 5 0A 9 43,-2.7 42,-1.0 -2,-0.5 -16,-0.3 -0.258 39.2 165.9 -57.0 139.0 21.8 19.0 3.3 22 360 A R S S+ 0 0 76 -18,-2.7 2,-0.3 1,-0.6 -17,-0.2 0.549 71.7 4.7-123.4 -28.4 21.4 21.0 0.1 23 361 A N S S- 0 0 67 -19,-1.4 -1,-0.6 -21,-0.1 38,-0.1 -0.945 98.4 -69.0-150.5 163.4 24.8 20.5 -1.6 24 362 A H + 0 0 69 -2,-0.3 2,-0.3 36,-0.1 36,-0.2 -0.267 56.7 160.9 -61.1 133.9 27.8 18.4 -0.8 25 363 A F B -H 59 0B 0 34,-1.3 34,-3.3 -21,-0.1 -4,-0.0 -0.963 11.8-174.9-145.9 167.3 29.8 19.3 2.2 26 364 A R > - 0 0 129 -2,-0.3 3,-2.1 32,-0.2 19,-0.3 -0.964 41.3 -65.3-154.3 161.3 32.3 17.5 4.5 27 365 A P T 3 S+ 0 0 53 0, 0.0 19,-0.2 0, 0.0 3,-0.1 -0.283 119.9 31.8 -51.9 138.4 34.5 17.9 7.6 28 366 A G T 3 S+ 0 0 54 17,-3.2 2,-0.1 1,-0.4 18,-0.1 0.174 87.5 128.4 92.7 -14.0 37.1 20.6 7.1 29 367 A D < - 0 0 31 -3,-2.1 16,-2.7 17,-0.1 2,-0.5 -0.479 57.4-130.5 -70.4 144.9 34.9 22.6 4.8 30 368 A E E +D 44 0A 125 14,-0.2 2,-0.3 -2,-0.1 14,-0.2 -0.843 33.0 175.3 -98.9 129.6 34.5 26.3 5.7 31 369 A V E -D 43 0A 2 12,-3.2 12,-2.5 -2,-0.5 2,-0.4 -0.812 22.9-140.6-128.3 165.8 30.9 27.6 5.7 32 370 A E E -DE 42 81A 60 49,-2.4 49,-2.8 -2,-0.3 2,-0.4 -1.000 12.0-151.8-130.2 132.8 29.1 30.8 6.6 33 371 A F E +DE 41 80A 0 8,-2.5 8,-1.5 -2,-0.4 2,-0.3 -0.835 22.5 163.9-100.9 141.5 25.8 31.0 8.4 34 372 A F E + E 0 79A 46 45,-2.0 45,-2.8 -2,-0.4 5,-0.1 -0.986 6.3 132.5-154.2 158.9 23.3 33.9 7.9 35 373 A G > - 0 0 15 3,-0.5 3,-1.3 -2,-0.3 43,-0.1 -0.910 63.9 -82.1 165.8 167.5 19.7 34.7 8.6 36 374 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 42,-0.0 0.788 121.3 50.5 -64.0 -26.1 17.6 37.4 10.0 37 375 A E T 3 S+ 0 0 102 -3,-0.1 2,-0.3 2,-0.0 41,-0.0 0.588 108.0 56.7 -83.3 -15.5 18.0 36.4 13.6 38 376 A I S < S- 0 0 22 -3,-1.3 2,-0.5 37,-0.1 -3,-0.5 -0.808 76.3-116.0-126.8 157.4 21.8 36.2 13.7 39 377 A E - 0 0 152 -2,-0.3 -6,-0.1 -5,-0.1 -2,-0.0 -0.764 54.8-104.0 -78.2 128.7 25.0 38.0 13.1 40 378 A N + 0 0 83 -2,-0.5 2,-0.3 -8,-0.1 -6,-0.2 -0.267 48.3 177.3 -44.4 135.7 26.7 36.2 10.2 41 379 A F E -D 33 0A 7 -8,-1.5 -8,-2.5 31,-0.1 2,-0.3 -0.998 25.6-126.3-146.9 154.8 29.6 33.9 11.2 42 380 A T E -D 32 0A 67 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.712 26.3-175.5 -96.2 151.1 32.0 31.5 9.6 43 381 A Q E -D 31 0A 6 -12,-2.5 -12,-3.2 -2,-0.3 2,-0.5 -0.996 23.5-140.3-145.6 131.9 32.5 28.0 10.8 44 382 A V E -D 30 0A 69 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.887 36.0-120.1 -90.6 129.9 34.8 25.1 9.8 45 383 A I + 0 0 2 -16,-2.7 -17,-3.2 -2,-0.5 3,-0.1 -0.561 37.2 178.5 -67.9 125.8 32.8 21.9 9.9 46 384 A E - 0 0 109 1,-0.4 -17,-0.1 23,-0.3 2,-0.1 0.253 54.7 -8.1-100.7-133.2 34.2 19.4 12.4 47 385 A K - 0 0 111 -20,-0.1 22,-0.5 -19,-0.0 -1,-0.4 -0.405 68.5-154.7 -64.3 143.0 32.7 16.0 13.1 48 386 A I E -F 56 0A 0 8,-0.6 8,-2.7 20,-0.1 2,-0.3 -0.920 8.2-165.9-118.1 143.9 29.3 15.4 11.5 49 387 A W E -FG 55 67A 77 18,-2.6 18,-2.6 -2,-0.4 6,-0.2 -0.899 15.9-123.2-124.9 158.5 26.6 13.0 12.6 50 388 A D > - 0 0 29 4,-2.6 3,-1.8 -2,-0.3 16,-0.2 -0.199 47.3 -83.1 -86.1-175.3 23.4 11.6 11.1 51 389 A E T 3 S+ 0 0 123 14,-0.5 15,-0.1 1,-0.3 -1,-0.0 0.672 128.6 54.4 -70.8 -14.7 19.9 11.8 12.6 52 390 A D T 3 S- 0 0 124 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.300 121.5-102.7 -97.1 3.9 20.6 8.8 14.9 53 391 A G S < S+ 0 0 43 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.759 78.8 132.8 79.3 24.9 23.7 10.4 16.4 54 392 A N - 0 0 101 1,-0.1 -4,-2.6 0, 0.0 -1,-0.3 -0.884 61.5 -99.0-108.1 143.2 26.2 8.3 14.5 55 393 A E E -F 49 0A 137 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.3 -0.155 32.6-161.1 -62.8 148.8 29.2 9.8 12.7 56 394 A L E -F 48 0A 33 -8,-2.7 -8,-0.6 1,-0.1 3,-0.1 -0.963 16.2-147.8-125.6 143.0 29.2 10.5 9.0 57 395 A D S S- 0 0 108 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.699 81.0 -5.5 -85.0 -22.2 32.3 11.0 6.8 58 396 A A - 0 0 5 -32,-0.2 2,-0.8 -10,-0.0 -1,-0.2 -0.969 63.1-117.6-160.9 161.1 30.6 13.5 4.5 59 397 A A B +H 25 0B 0 -34,-3.3 -34,-1.3 -2,-0.3 -36,-0.1 -0.769 59.3 139.1-104.0 78.2 27.2 15.0 3.7 60 398 A R + 0 0 113 -2,-0.8 -1,-0.1 -36,-0.2 -36,-0.1 0.359 40.1 88.3-106.2 3.5 26.9 13.6 0.2 61 399 A H S > S- 0 0 105 -3,-0.1 3,-1.9 -38,-0.1 -40,-0.2 -0.907 83.4-112.3-109.6 122.4 23.2 12.6 0.2 62 400 A P T 3 S+ 0 0 107 0, 0.0 -40,-0.1 0, 0.0 -2,-0.1 -0.212 95.5 1.4 -53.7 136.1 20.6 15.1 -0.9 63 401 A L T 3 S+ 0 0 96 -42,-1.0 -41,-0.1 1,-0.2 2,-0.0 0.531 88.6 154.9 63.7 12.3 18.3 16.3 1.9 64 402 A Q < - 0 0 46 -3,-1.9 -43,-2.7 -44,-0.1 2,-0.6 -0.367 46.9-119.8 -65.2 144.8 20.0 14.2 4.6 65 403 A I E +C 20 0A 31 -45,-0.2 -14,-0.5 -47,-0.0 2,-0.3 -0.779 39.9 178.8 -82.7 123.8 19.6 15.4 8.1 66 404 A V E -C 19 0A 0 -47,-3.1 -47,-3.1 -2,-0.6 2,-0.4 -0.926 14.9-155.1-133.0 152.5 23.0 16.1 9.6 67 405 A K E +CG 18 49A 57 -18,-2.6 -18,-2.6 -2,-0.3 2,-0.3 -0.969 20.7 152.2-128.9 139.7 24.2 17.4 12.9 68 406 A F E -C 17 0A 0 -51,-1.8 -51,-3.0 -2,-0.4 2,-0.2 -0.982 45.5 -87.2-162.7 160.7 27.3 19.2 14.0 69 407 A K E -C 16 0A 106 -22,-0.5 2,-0.3 -2,-0.3 -23,-0.3 -0.484 38.5-165.0 -71.0 140.7 28.7 21.6 16.6 70 408 A V - 0 0 5 -55,-2.4 4,-0.1 -2,-0.2 -27,-0.1 -0.928 23.9-132.4-125.3 153.4 28.4 25.4 15.9 71 409 A K S S+ 0 0 134 -2,-0.3 -1,-0.1 -29,-0.1 -2,-0.0 0.627 88.4 24.7 -79.6 -15.7 30.2 28.2 17.6 72 410 A R S S- 0 0 126 -57,-0.1 -1,-0.1 -31,-0.1 -31,-0.1 -0.981 95.7 -80.0-143.4 157.8 27.0 30.4 18.1 73 411 A P - 0 0 73 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.223 42.4-162.9 -59.3 149.4 23.3 29.9 18.3 74 412 A L - 0 0 6 -36,-0.1 -64,-0.1 -4,-0.1 -39,-0.0 -0.830 5.2-144.4-128.3 165.0 21.2 29.4 15.1 75 413 A F > - 0 0 88 -2,-0.3 3,-2.1 -66,-0.1 -68,-0.1 -0.893 39.8 -71.7-130.9 155.9 17.5 29.6 14.4 76 414 A P T 3 S+ 0 0 62 0, 0.0 -68,-0.2 0, 0.0 -67,-0.1 -0.195 115.8 13.7 -53.5 133.1 15.2 27.7 12.1 77 415 A Y T 3 S+ 0 0 158 -70,-3.1 -69,-0.1 1,-0.3 -68,-0.0 0.452 83.0 145.5 76.4 12.3 15.7 28.4 8.3 78 416 A N < - 0 0 0 -3,-2.1 -71,-3.0 -71,-0.1 2,-0.3 -0.347 47.2-124.1 -59.0 152.2 19.0 30.2 8.8 79 417 A X E -AE 6 34A 73 -45,-2.8 -45,-2.0 -73,-0.2 2,-0.5 -0.824 15.2-151.1-112.3 150.2 21.1 29.3 5.7 80 418 A X E -AE 5 33A 0 -75,-2.4 -76,-2.6 -2,-0.3 -75,-1.6 -0.982 13.8-170.8-121.0 116.9 24.5 27.8 5.4 81 419 A R E AE 3 32A 86 -49,-2.8 -49,-2.4 -2,-0.5 -78,-0.2 -0.862 360.0 360.0-109.1 149.2 26.7 28.7 2.4 82 420 A K 0 0 59 -80,-2.6 -80,-0.4 -2,-0.3 -51,-0.3 -0.888 360.0 360.0 -97.7 360.0 30.0 27.0 1.5