==== 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 4HE6 . 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 . 89 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5660.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 54 60.7 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 39.3 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 . 1 1.1 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 . 6 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 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 . 1 3 0 2 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 1 334 A S 0 0 148 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.2 3.6 -12.5 20.0 2 335 A L + 0 0 101 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.572 360.0 152.1 -83.9 119.7 5.8 -13.0 16.9 3 336 A K + 0 0 174 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.728 59.4 7.1-112.6 -38.5 5.3 -16.4 15.1 4 337 A T S > S- 0 0 69 1,-0.0 3,-1.4 0, 0.0 -1,-0.3 -0.926 70.8-100.2-144.3 170.0 6.2 -15.8 11.4 5 338 A T G > S+ 0 0 46 -2,-0.3 3,-0.8 1,-0.3 -3,-0.0 0.475 106.4 79.7 -70.4 -2.8 7.6 -13.5 8.8 6 339 A R G 3 S+ 0 0 157 1,-0.2 -1,-0.3 22,-0.0 21,-0.0 0.713 81.3 70.4 -72.8 -19.2 4.0 -12.7 7.7 7 340 A E G < S+ 0 0 75 -3,-1.4 2,-0.3 79,-0.1 -1,-0.2 0.350 101.4 32.1 -88.1 1.8 3.8 -10.3 10.6 8 341 A F < - 0 0 18 -3,-0.8 78,-0.3 78,-0.1 3,-0.1 -0.997 53.7-150.5-155.7 163.4 6.1 -7.6 9.4 9 342 A A S S+ 0 0 2 76,-2.8 18,-2.9 -2,-0.3 19,-1.5 0.584 78.8 10.0-108.7 -18.3 7.4 -5.9 6.3 10 343 A G E -AB 26 85A 0 75,-1.8 75,-2.4 16,-0.3 2,-0.5 -0.988 52.9-141.5-160.8 156.5 10.9 -4.9 7.3 11 344 A L E -AB 25 84A 31 14,-2.1 14,-3.0 -2,-0.3 2,-0.4 -0.979 31.8-123.2-118.4 125.1 13.6 -5.3 9.9 12 345 A V E +A 24 0A 0 71,-2.8 70,-3.2 -2,-0.5 12,-0.3 -0.593 30.7 174.6 -71.9 125.8 15.7 -2.1 10.7 13 346 A L E - 0 0 47 10,-3.1 2,-0.3 -2,-0.4 11,-0.2 0.629 64.9 -12.3 -96.4 -28.8 19.4 -2.8 10.1 14 347 A G E -A 23 0A 18 9,-1.6 9,-2.7 66,-0.1 -1,-0.3 -0.985 50.7-153.0-168.3 163.2 20.6 0.8 10.8 15 348 A Y E -A 22 0A 50 -2,-0.3 7,-0.2 7,-0.2 3,-0.0 -0.954 12.1-146.7-151.3 126.9 19.6 4.3 11.2 16 349 A D E >> -A 21 0A 74 5,-2.6 4,-2.3 -2,-0.3 5,-0.6 -0.858 11.8-166.0 -94.5 106.2 21.6 7.5 10.5 17 350 A P T 45S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.669 83.7 57.6 -78.5 -8.3 20.5 10.0 13.2 18 351 A E T 45S+ 0 0 174 1,-0.1 -2,-0.0 3,-0.1 0, 0.0 0.850 121.8 23.3 -78.7 -37.8 22.1 12.9 11.4 19 352 A T T 45S- 0 0 67 -3,-0.5 3,-0.1 2,-0.1 -1,-0.1 0.554 97.0-124.3-106.6 -15.9 20.1 12.4 8.1 20 353 A G T <5 + 0 0 9 -4,-2.3 55,-2.7 1,-0.3 2,-0.5 0.591 60.1 145.2 80.7 5.6 17.1 10.5 9.2 21 354 A I E < -AC 16 74A 46 -5,-0.6 -5,-2.6 53,-0.2 2,-0.3 -0.706 32.5-159.0 -89.5 122.2 17.8 7.7 6.7 22 355 A A E -AC 15 73A 0 51,-3.0 51,-1.7 -2,-0.5 2,-0.5 -0.762 10.2-144.3 -96.0 147.5 17.0 4.2 7.8 23 356 A T E -AC 14 72A 22 -9,-2.7 -10,-3.1 -2,-0.3 -9,-1.6 -0.965 27.2-175.7-109.0 120.9 18.4 1.0 6.3 24 357 A V E -AC 12 71A 0 47,-3.2 47,-2.9 -2,-0.5 2,-0.7 -0.977 26.1-140.9-129.2 133.4 15.8 -1.8 6.2 25 358 A Q E -AC 11 70A 48 -14,-3.0 -14,-2.1 -2,-0.4 45,-0.2 -0.823 33.8-129.0 -89.9 116.0 15.8 -5.4 5.3 26 359 A Q E +A 10 0A 2 43,-2.9 42,-1.9 -2,-0.7 -16,-0.3 -0.380 36.0 167.2 -65.6 141.0 12.6 -6.1 3.4 27 360 A R S S+ 0 0 72 -18,-2.9 2,-0.3 1,-0.5 -17,-0.2 0.594 70.8 11.5-119.2 -31.4 10.5 -9.0 4.4 28 361 A N S S- 0 0 43 -19,-1.5 -1,-0.5 38,-0.1 38,-0.1 -0.970 97.5 -70.4-144.2 160.7 7.3 -8.3 2.5 29 362 A H + 0 0 78 -2,-0.3 2,-0.3 36,-0.2 36,-0.2 -0.109 54.0 157.5 -56.1 136.1 6.3 -5.9 -0.3 30 363 A F B -H 64 0B 0 34,-1.3 34,-3.2 -21,-0.1 6,-0.0 -0.974 11.7-178.3-151.1 159.9 6.1 -2.2 0.5 31 364 A R > - 0 0 138 -2,-0.3 3,-2.3 32,-0.2 19,-0.3 -0.968 40.8 -63.4-152.3 164.8 6.3 0.9 -1.8 32 365 A P T 3 S+ 0 0 44 0, 0.0 19,-0.2 0, 0.0 3,-0.1 -0.272 118.9 31.9 -55.6 139.1 6.2 4.7 -1.8 33 366 A G T 3 S+ 0 0 57 17,-3.1 2,-0.1 1,-0.4 18,-0.1 0.131 90.5 123.8 94.4 -16.8 2.9 6.0 -0.6 34 367 A D < - 0 0 26 -3,-2.3 16,-2.3 16,-0.2 2,-0.5 -0.451 60.9-126.6 -72.3 150.4 2.3 3.1 1.7 35 368 A E E +D 49 0A 74 53,-0.3 53,-2.5 14,-0.2 2,-0.3 -0.840 33.4 179.6 -94.5 134.6 1.6 3.7 5.4 36 369 A V E -DE 48 87A 0 12,-2.7 12,-2.0 -2,-0.5 2,-0.4 -0.867 20.4-142.4-128.9 161.6 3.9 1.8 7.8 37 370 A E E -DE 47 86A 34 49,-2.8 49,-2.6 -2,-0.3 2,-0.4 -0.996 9.0-150.8-124.4 130.9 4.3 1.5 11.5 38 371 A F E +DE 46 85A 0 8,-2.8 8,-1.6 -2,-0.4 2,-0.3 -0.818 29.6 164.2 -95.9 140.5 7.7 1.1 13.3 39 372 A F E + E 0 84A 29 45,-2.5 45,-2.6 -2,-0.4 5,-0.1 -0.921 12.0 98.3-151.5 170.5 7.6 -0.8 16.5 40 373 A G S > S- 0 0 17 -2,-0.3 3,-1.3 3,-0.3 43,-0.1 -0.549 70.3 -44.1 127.7 170.3 9.6 -2.6 19.2 41 374 A P T 3 S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.327 115.9 32.5 -66.8 153.4 11.0 -2.0 22.5 42 375 A E T 3 S+ 0 0 166 1,-0.1 2,-0.3 37,-0.0 41,-0.0 0.220 108.3 74.0 85.1 -5.6 12.9 1.2 23.3 43 376 A I S < S- 0 0 28 -3,-1.3 2,-0.5 37,-0.0 -3,-0.3 -0.978 81.7-119.8-125.0 148.4 10.7 3.3 20.9 44 377 A E - 0 0 143 -2,-0.3 -6,-0.1 -5,-0.1 0, 0.0 -0.733 49.1-110.1 -68.8 128.2 7.2 4.7 21.0 45 378 A N + 0 0 67 -2,-0.5 2,-0.3 -8,-0.1 -6,-0.2 -0.313 46.6 179.8 -61.4 146.4 5.6 3.0 18.0 46 379 A F E -D 38 0A 11 -8,-1.6 -8,-2.8 31,-0.1 2,-0.3 -0.987 20.8-135.1-150.8 155.6 4.9 5.5 15.2 47 380 A T E +D 37 0A 60 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.795 26.0 160.8-109.5 155.4 3.4 5.6 11.7 48 381 A Q E -D 36 0A 9 -12,-2.0 -12,-2.7 -2,-0.3 2,-0.3 -0.980 38.2-104.1-159.1 165.6 4.6 7.3 8.6 49 382 A V E -D 35 0A 69 -2,-0.3 2,-0.6 -14,-0.2 -14,-0.2 -0.714 34.4-122.9 -87.5 143.5 4.2 7.4 4.8 50 383 A I - 0 0 0 -16,-2.3 -17,-3.1 -2,-0.3 -16,-0.2 -0.803 29.8-174.6 -82.9 116.5 7.1 5.9 2.8 51 384 A E - 0 0 138 -2,-0.6 2,-0.3 23,-0.4 -1,-0.2 0.840 59.4 -19.8 -81.5 -39.0 8.1 8.8 0.6 52 385 A K - 0 0 104 22,-0.2 22,-0.4 -21,-0.1 2,-0.4 -0.908 60.2-148.5-175.1 140.8 10.8 7.3 -1.7 53 386 A I E -F 61 0A 1 8,-0.5 8,-2.5 -2,-0.3 2,-0.3 -0.975 12.8-179.5-132.6 144.6 13.0 4.2 -1.5 54 387 A W E -FG 60 72A 58 18,-2.3 18,-2.8 -2,-0.4 6,-0.2 -0.945 22.7-122.7-138.4 157.9 16.5 3.5 -2.8 55 388 A D E > - G 0 71A 33 4,-2.2 3,-1.9 -2,-0.3 16,-0.2 -0.341 43.8 -90.7 -89.0 179.0 18.9 0.5 -2.8 56 389 A E T 3 S+ 0 0 107 14,-0.6 15,-0.1 1,-0.3 -1,-0.1 0.603 127.8 57.2 -70.9 -8.8 22.4 0.5 -1.4 57 390 A D T 3 S- 0 0 141 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.336 120.7-107.0 -99.2 7.3 23.7 1.5 -4.9 58 391 A G S < S+ 0 0 50 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.541 70.8 143.7 78.0 12.4 21.5 4.6 -4.9 59 392 A N - 0 0 91 1,-0.0 -4,-2.2 0, 0.0 -1,-0.3 -0.722 50.0-126.9 -79.0 130.6 18.9 3.4 -7.4 60 393 A E E -F 54 0A 139 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.3 -0.580 24.9-148.0 -73.6 144.4 15.4 4.5 -6.7 61 394 A L E -F 53 0A 44 -8,-2.5 -8,-0.5 -2,-0.2 3,-0.1 -0.912 19.7-149.3-116.7 137.3 12.9 1.7 -6.5 62 395 A D S S- 0 0 111 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.819 89.2 -5.5 -71.5 -24.1 9.2 1.7 -7.4 63 396 A A - 0 0 5 -32,-0.2 2,-1.1 -10,-0.0 -1,-0.3 -0.973 63.3-120.2-159.4 155.4 8.7 -0.9 -4.7 64 397 A A B +H 30 0B 5 -34,-3.2 -34,-1.3 -2,-0.3 -37,-0.1 -0.828 56.9 147.3 -95.1 85.2 10.7 -3.0 -2.3 65 398 A R + 0 0 106 -2,-1.1 -36,-0.2 -36,-0.2 -1,-0.2 0.352 36.2 87.8-109.2 1.7 9.3 -6.2 -3.8 66 399 A H S > S- 0 0 93 -38,-0.1 3,-2.0 -3,-0.1 -40,-0.2 -0.925 82.6-114.3-112.6 113.7 12.3 -8.7 -3.4 67 400 A P T 3 S+ 0 0 96 0, 0.0 -40,-0.2 0, 0.0 3,-0.1 -0.178 93.7 2.5 -50.9 130.7 12.4 -10.6 -0.1 68 401 A L T 3 S+ 0 0 84 -42,-1.9 2,-0.1 1,-0.3 -41,-0.1 0.442 88.7 142.2 73.1 6.3 15.4 -9.8 2.1 69 402 A Q < - 0 0 104 -3,-2.0 -43,-2.9 -44,-0.1 2,-0.5 -0.470 53.4-119.8 -68.6 149.6 16.8 -7.0 -0.2 70 403 A I E +C 25 0A 56 -45,-0.2 -14,-0.6 -2,-0.1 2,-0.3 -0.788 38.4 174.7 -93.5 127.4 18.2 -4.1 1.7 71 404 A V E -CG 24 55A 2 -47,-2.9 -47,-3.2 -2,-0.5 2,-0.3 -0.869 17.5-144.2-130.4 165.9 16.6 -0.7 1.0 72 405 A K E +CG 23 54A 59 -18,-2.8 -18,-2.3 -2,-0.3 2,-0.3 -0.966 24.5 150.6-132.0 147.7 16.9 2.8 2.4 73 406 A F E -C 22 0A 0 -51,-1.7 -51,-3.0 -2,-0.3 2,-0.2 -0.964 46.3 -86.8-167.2 159.4 14.4 5.6 3.0 74 407 A K E -C 21 0A 100 -22,-0.4 -23,-0.4 -2,-0.3 2,-0.3 -0.518 39.6-159.9 -70.4 139.0 13.8 8.6 5.3 75 408 A V - 0 0 8 -55,-2.7 4,-0.1 -2,-0.2 -25,-0.1 -0.901 19.7-132.9-123.0 157.6 12.0 8.0 8.5 76 409 A K S S+ 0 0 152 -2,-0.3 -1,-0.1 -27,-0.1 -29,-0.0 0.621 85.8 22.1 -87.6 -15.0 10.2 10.5 10.7 77 410 A R S S- 0 0 108 -57,-0.1 -31,-0.1 -31,-0.1 -1,-0.0 -0.953 96.5 -77.8-142.5 161.2 11.6 9.5 14.1 78 411 A P - 0 0 84 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.217 44.8-165.1 -59.8 150.0 14.8 7.8 15.3 79 412 A L - 0 0 7 -4,-0.1 -64,-0.1 -36,-0.0 -37,-0.0 -0.933 11.0-138.6-130.8 152.8 15.0 4.0 15.1 80 413 A F > - 0 0 98 -2,-0.3 3,-2.1 -66,-0.1 -68,-0.2 -0.838 40.9 -84.6-107.8 153.8 17.3 1.5 16.6 81 414 A P T 3 S+ 0 0 70 0, 0.0 -68,-0.2 0, 0.0 3,-0.1 -0.295 115.0 22.4 -52.7 134.0 18.8 -1.6 14.8 82 415 A Y T 3 S+ 0 0 146 -70,-3.2 -69,-0.1 1,-0.3 2,-0.1 0.406 83.2 135.0 78.4 7.4 16.3 -4.5 14.9 83 416 A N < - 0 0 7 -3,-2.1 -71,-2.8 -43,-0.1 -1,-0.3 -0.369 52.4-125.7 -59.7 161.4 13.2 -2.4 15.5 84 417 A M E -BE 11 39A 36 -45,-2.6 -45,-2.5 -73,-0.2 2,-0.4 -0.744 15.8-149.8-118.8 161.2 10.6 -3.7 13.1 85 418 A M E +BE 10 38A 0 -75,-2.4 -76,-2.8 -2,-0.3 -75,-1.8 -0.996 15.9 175.2-132.4 135.0 8.3 -2.3 10.5 86 419 A R E - E 0 37A 84 -49,-2.6 -49,-2.8 -2,-0.4 2,-0.2 -0.950 40.1 -93.5-132.6 154.4 4.8 -3.5 9.5 87 420 A K E - E 0 36A 89 -2,-0.3 2,-0.6 -51,-0.2 -51,-0.3 -0.551 38.3-134.0 -62.4 142.5 2.2 -2.2 7.1 88 421 A E 0 0 75 -53,-2.5 -53,-0.3 -2,-0.2 -1,-0.0 -0.920 360.0 360.0-108.0 115.7 -0.4 0.2 8.8 89 422 A N 0 0 224 -2,-0.6 -53,-0.0 0, 0.0 -1,-0.0 -0.337 360.0 360.0 -67.4 360.0 -4.0 -0.6 7.9