==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/INHIBITOR 15-DEC-11 3V4O . COMPND 2 MOLECULE: MUCOSA-ASSOCIATED LYMPHOID TISSUE LYMPHOMA TRANSL . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.RENATUS,C.WIESMANN . 238 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.4 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 . 16 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 20.2 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 1 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 1 1 2 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 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 1 336 A D 0 0 206 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -6.0 -56.5 23.8 -0.0 2 337 A Q - 0 0 85 221,-0.0 2,-0.1 225,-0.0 221,-0.1 -0.873 360.0-123.4 -83.6 122.5 -54.2 20.7 -0.7 3 338 A P - 0 0 24 0, 0.0 2,-0.3 0, 0.0 221,-0.1 -0.476 33.7-160.4 -64.2 142.7 -50.7 22.3 -0.8 4 339 A L - 0 0 49 223,-0.1 2,-0.4 -2,-0.1 225,-0.2 -0.923 13.3-136.5-127.7 153.1 -49.0 21.5 -4.1 5 340 A A B -a 229 0A 1 223,-2.0 225,-3.1 -2,-0.3 66,-0.2 -0.842 10.0-144.5-102.9 143.7 -45.5 21.4 -5.3 6 341 A K S S- 0 0 109 64,-2.3 2,-0.3 -2,-0.4 65,-0.2 0.878 86.9 -26.5 -71.0 -39.1 -44.5 22.8 -8.7 7 342 A D - 0 0 27 63,-0.4 65,-2.7 61,-0.1 2,-0.4 -0.923 63.4-124.6-158.5 172.3 -42.0 19.9 -8.9 8 343 A K E +b 72 0B 4 34,-0.3 36,-3.2 -2,-0.3 2,-0.4 -0.970 32.5 173.6-133.0 116.1 -40.0 17.9 -6.3 9 344 A V E -bc 73 44B 2 63,-2.9 65,-2.1 -2,-0.4 2,-0.4 -0.964 5.7-176.9-128.5 133.9 -36.3 17.8 -6.6 10 345 A A E -bc 74 45B 2 34,-2.8 36,-2.2 -2,-0.4 2,-0.4 -0.984 15.0-160.2-135.6 144.8 -33.6 16.3 -4.4 11 346 A L E -bc 75 46B 1 63,-2.7 65,-2.7 -2,-0.4 2,-0.4 -0.995 15.2-172.2-115.5 129.7 -29.8 16.2 -4.2 12 347 A L E -bc 76 47B 0 34,-2.7 36,-2.3 -2,-0.4 2,-0.4 -0.978 3.4-178.3-124.9 130.6 -28.2 13.4 -2.1 13 348 A I E -bc 77 48B 0 63,-2.4 65,-2.6 -2,-0.4 2,-0.5 -0.992 6.8-175.2-131.1 127.0 -24.5 13.1 -1.3 14 349 A G E -bc 78 49B 0 34,-2.3 36,-2.6 -2,-0.4 2,-0.5 -0.975 7.9-166.3-122.1 120.8 -22.7 10.5 0.7 15 350 A N + 0 0 0 63,-3.0 65,-0.1 -2,-0.5 3,-0.1 -0.908 27.5 139.6-110.8 128.4 -19.0 10.9 1.3 16 351 A M + 0 0 18 -2,-0.5 8,-1.9 63,-0.1 2,-1.8 0.659 51.4 70.4-131.2 -46.2 -17.0 8.0 2.6 17 352 A N - 0 0 86 6,-0.2 2,-0.2 8,-0.1 6,-0.1 -0.545 64.0-179.3 -90.9 70.7 -13.5 7.5 1.1 18 353 A Y - 0 0 1 -2,-1.8 76,-0.2 3,-0.2 75,-0.1 -0.555 22.3-151.5 -74.7 139.3 -11.8 10.5 2.7 19 354 A R S S+ 0 0 161 74,-2.4 -1,-0.1 -2,-0.2 75,-0.1 0.851 93.3 17.2 -77.4 -33.8 -8.1 10.9 1.7 20 355 A E S S+ 0 0 112 73,-0.5 -1,-0.2 75,-0.4 74,-0.1 0.226 120.1 58.6-127.0 11.5 -7.0 12.6 4.9 21 356 A H S S- 0 0 30 72,-0.2 -3,-0.2 1,-0.0 76,-0.0 -0.894 98.7 -67.8-136.0 165.6 -9.8 11.9 7.4 22 357 A P - 0 0 83 0, 0.0 -4,-0.1 0, 0.0 2,-0.1 -0.273 56.0-119.0 -57.7 138.2 -11.3 8.8 8.9 23 358 A K - 0 0 106 -6,-0.1 2,-0.3 -5,-0.1 -6,-0.2 -0.428 24.0-148.8 -74.9 152.2 -13.3 6.8 6.3 24 359 A L - 0 0 6 -8,-1.9 -6,-0.0 1,-0.1 215,-0.0 -0.812 13.1-171.2-117.6 162.8 -17.0 6.2 6.7 25 360 A K S > S+ 0 0 114 -2,-0.3 3,-1.1 141,-0.1 4,-0.5 0.749 72.0 61.7-119.8 -45.8 -19.1 3.2 5.6 26 361 A A T 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 148,-0.3 0.616 78.4 83.0 -65.3 -22.5 -22.8 3.9 6.0 27 362 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.874 89.6 57.6 -53.4 -32.8 -23.3 6.9 3.7 28 363 A L H <> S+ 0 0 84 -3,-1.1 4,-2.9 1,-0.2 5,-0.2 0.984 111.6 38.1 -60.3 -56.1 -23.6 4.5 0.8 29 364 A V H > S+ 0 0 39 -4,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.852 115.7 55.1 -63.1 -33.7 -26.5 2.6 2.3 30 365 A D H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.940 112.2 42.9 -67.2 -44.0 -28.1 5.8 3.7 31 366 A V H X S+ 0 0 6 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.916 112.4 52.8 -67.5 -44.1 -28.0 7.4 0.3 32 367 A Y H X S+ 0 0 155 -4,-2.9 4,-1.9 -5,-0.3 -2,-0.2 0.950 112.0 46.8 -55.6 -46.1 -29.3 4.3 -1.4 33 368 A E H X S+ 0 0 46 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.937 113.1 45.8 -64.7 -45.6 -32.2 4.1 1.0 34 369 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.867 109.0 57.4 -72.0 -31.9 -33.3 7.8 0.8 35 370 A T H X S+ 0 0 11 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.957 109.1 45.4 -58.0 -49.3 -33.0 7.7 -3.0 36 371 A N H X S+ 0 0 70 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.944 114.9 46.9 -58.8 -52.5 -35.5 4.8 -3.1 37 372 A L H X S+ 0 0 8 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.932 113.4 47.4 -57.0 -49.8 -37.9 6.4 -0.6 38 373 A L H <>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 -1,-0.2 0.861 108.7 54.7 -66.5 -35.1 -37.9 9.8 -2.3 39 374 A R H ><5S+ 0 0 143 -4,-2.4 3,-2.0 -5,-0.3 -1,-0.2 0.907 104.0 55.7 -61.3 -37.8 -38.4 8.2 -5.8 40 375 A Q H 3<5S+ 0 0 114 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.813 105.7 53.0 -60.0 -29.8 -41.5 6.6 -4.3 41 376 A L T 3<5S- 0 0 16 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.156 124.3-105.9 -91.5 14.8 -42.6 10.1 -3.4 42 377 A D T < 5 + 0 0 117 -3,-2.0 -34,-0.3 1,-0.2 2,-0.2 0.663 67.6 150.2 71.3 22.1 -42.1 11.3 -7.0 43 378 A F < - 0 0 10 -5,-2.4 2,-0.6 -8,-0.1 -34,-0.2 -0.582 51.0-126.6 -76.4 146.0 -39.0 13.3 -6.5 44 379 A K E -c 9 0B 118 -36,-3.2 -34,-2.8 -2,-0.2 2,-0.5 -0.866 40.9-163.2 -83.0 120.0 -36.4 13.7 -9.2 45 380 A V E -c 10 0B 15 -2,-0.6 2,-0.5 -36,-0.2 -34,-0.2 -0.942 25.1-168.7-119.6 126.4 -33.3 12.5 -7.3 46 381 A V E -c 11 0B 68 -36,-2.2 -34,-2.7 -2,-0.5 2,-0.4 -0.951 17.7-173.0-104.1 128.0 -29.6 12.9 -8.1 47 382 A S E +c 12 0B 39 -2,-0.5 2,-0.3 -36,-0.2 -34,-0.2 -0.993 6.9 173.0-132.2 128.4 -27.6 10.7 -5.8 48 383 A L E -c 13 0B 60 -36,-2.3 -34,-2.3 -2,-0.4 2,-0.3 -0.944 14.6-151.9-143.4 147.0 -23.8 10.8 -5.7 49 384 A L E +c 14 0B 68 -2,-0.3 -34,-0.2 -36,-0.2 -36,-0.0 -0.913 65.7 6.3-125.2 151.1 -21.0 9.3 -3.6 50 385 A D S S- 0 0 53 -36,-2.6 2,-0.4 -2,-0.3 -1,-0.2 0.920 75.5-174.2 53.2 61.5 -17.4 10.3 -2.6 51 386 A L - 0 0 12 -3,-0.2 42,-2.4 4,-0.1 43,-0.3 -0.711 18.2-141.7 -96.7 137.0 -17.4 13.8 -4.0 52 387 A T > - 0 0 21 -2,-0.4 4,-2.6 40,-0.2 5,-0.2 -0.374 39.8 -95.9 -77.4 170.8 -14.4 16.1 -4.1 53 388 A E H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.926 127.7 50.8 -54.4 -47.7 -14.9 19.8 -3.4 54 389 A Y H > S+ 0 0 168 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.926 111.6 46.5 -57.6 -47.4 -15.1 20.4 -7.2 55 390 A E H > S+ 0 0 84 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.863 111.2 53.7 -65.1 -36.0 -17.7 17.7 -7.7 56 391 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.933 109.3 46.7 -63.1 -45.7 -19.7 18.9 -4.7 57 392 A R H X S+ 0 0 92 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.935 114.1 48.7 -65.9 -39.9 -19.9 22.5 -6.1 58 393 A N H X S+ 0 0 59 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.927 109.4 52.3 -61.3 -46.3 -20.9 21.2 -9.5 59 394 A A H X S+ 0 0 8 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.914 110.4 47.7 -58.3 -43.7 -23.6 18.9 -8.0 60 395 A V H X S+ 0 0 8 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.930 109.0 53.3 -70.6 -33.6 -25.1 21.8 -6.2 61 396 A D H X S+ 0 0 79 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.911 110.6 48.3 -59.1 -41.5 -25.1 24.1 -9.3 62 397 A E H X S+ 0 0 116 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.907 111.8 48.9 -65.0 -42.5 -26.9 21.3 -11.2 63 398 A F H >< S+ 0 0 7 -4,-2.2 3,-1.1 1,-0.2 4,-0.5 0.938 108.7 53.6 -60.3 -48.0 -29.4 21.0 -8.4 64 399 A L H >< S+ 0 0 14 -4,-3.1 3,-1.4 1,-0.2 -2,-0.2 0.881 103.0 57.7 -52.5 -42.7 -29.9 24.8 -8.3 65 400 A L H 3< S+ 0 0 127 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.763 101.9 55.8 -62.0 -26.2 -30.7 24.8 -12.0 66 401 A L T << S+ 0 0 91 -3,-1.1 2,-0.3 -4,-0.8 -1,-0.3 0.555 93.2 91.4 -84.2 -7.0 -33.6 22.3 -11.4 67 402 A L < + 0 0 1 -3,-1.4 2,-0.3 -4,-0.5 51,-0.0 -0.662 47.1 148.3 -93.0 145.5 -35.2 24.7 -8.9 68 403 A D > - 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0 0 0 -11,-2.4 -11,-0.4 -2,-0.5 13,-0.1 -0.845 12.4-140.6-101.0 118.8 -16.4 18.4 4.1 92 427 A P > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 -40,-0.2 -0.246 26.7-108.4 -73.0 164.8 -15.4 16.9 0.6 93 428 A V T 3 S+ 0 0 6 -42,-2.4 -74,-2.4 1,-0.3 -73,-0.5 0.767 117.8 55.2 -70.9 -23.5 -13.4 13.7 0.3 94 429 A D T 3 S+ 0 0 53 -43,-0.3 -1,-0.3 -76,-0.2 -42,-0.1 0.249 75.2 136.5 -91.8 12.3 -10.3 15.7 -0.9 95 430 A A < - 0 0 1 -3,-1.8 -75,-0.4 1,-0.1 4,-0.1 -0.356 52.6-129.2 -55.2 133.6 -10.2 18.0 2.2 96 431 A P - 0 0 50 0, 0.0 -76,-0.1 0, 0.0 -1,-0.1 -0.251 32.8 -87.6 -73.1 173.2 -6.7 18.5 3.5 97 432 A N S S+ 0 0 108 1,-0.1 2,-0.2 -76,-0.0 -76,-0.0 -0.940 119.2 26.2-127.1 111.9 -5.9 18.0 7.2 98 433 A P S S- 0 0 70 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.545 93.5-179.1 -75.2 171.3 -6.3 20.5 8.7 99 434 A Y - 0 0 35 -2,-0.2 2,-0.2 -4,-0.1 36,-0.2 -0.918 12.1-153.3-135.3 160.8 -8.9 22.2 6.5 100 435 A R > - 0 0 98 -2,-0.3 3,-1.4 36,-0.1 4,-0.2 -0.667 42.2 -83.2-124.5-175.4 -10.8 25.5 6.6 101 436 A S G > S+ 0 0 25 1,-0.3 3,-1.8 -2,-0.2 5,-0.1 0.808 121.4 65.1 -61.3 -30.9 -14.1 26.9 5.3 102 437 A E G 3 S+ 0 0 144 1,-0.3 -1,-0.3 3,-0.1 34,-0.0 0.713 99.1 53.2 -67.6 -21.5 -12.7 27.5 1.9 103 438 A N G < S+ 0 0 35 -3,-1.4 -1,-0.3 2,-0.0 2,-0.2 0.450 110.9 58.2 -83.1 -2.7 -12.1 23.8 1.3 104 439 A C S < S- 0 0 4 -3,-1.8 2,-0.5 -4,-0.2 -13,-0.2 -0.757 83.0-108.2-129.3 165.6 -15.8 23.1 2.2 105 440 A L E -H 90 0C 6 -15,-2.1 -15,-2.7 -2,-0.2 2,-0.6 -0.875 26.2-139.7-100.5 132.8 -19.4 23.9 1.2 106 441 A C E > -H 89 0C 13 -2,-0.5 4,-1.3 -17,-0.2 3,-0.5 -0.776 3.4-153.0 -90.5 121.1 -21.4 26.1 3.5 107 442 A V H > S+ 0 0 0 -19,-2.4 4,-2.3 -2,-0.6 3,-0.2 0.863 93.4 58.7 -62.5 -39.3 -25.0 25.0 3.8 108 443 A Q H > S+ 0 0 18 -20,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.860 102.8 53.5 -59.1 -39.6 -26.4 28.5 4.5 109 444 A N H > S+ 0 0 69 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.860 108.1 51.0 -61.5 -35.9 -24.9 29.8 1.1 110 445 A I H X S+ 0 0 7 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.938 108.1 51.6 -68.9 -42.7 -26.8 27.0 -0.7 111 446 A L H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.910 107.0 53.3 -60.7 -41.6 -30.0 28.0 1.1 112 447 A K H X S+ 0 0 72 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.945 109.2 49.4 -55.4 -47.4 -29.6 31.6 -0.0 113 448 A L H X S+ 0 0 60 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.865 110.4 51.2 -62.4 -35.4 -29.2 30.4 -3.6 114 449 A M H ><>S+ 0 0 0 -4,-2.0 5,-1.2 1,-0.2 3,-1.0 0.890 106.3 53.0 -69.3 -39.8 -32.3 28.3 -3.3 115 450 A Q H ><5S+ 0 0 8 -4,-2.4 3,-2.2 1,-0.3 -1,-0.2 0.873 100.2 62.4 -65.9 -34.7 -34.4 31.1 -2.0 116 451 A E H 3<5S+ 0 0 108 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.747 100.5 54.5 -60.1 -22.6 -33.3 33.2 -5.0 117 452 A K T <<5S- 0 0 66 -3,-1.0 -1,-0.3 -4,-0.6 -46,-0.2 0.388 111.6-126.6 -86.8 -0.1 -35.2 30.6 -7.1 118 453 A E T < 5 - 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