==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-APR-10 3MJN . COMPND 2 MOLECULE: LACTOTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR K.SRIVASTAVA,G.VIKRAM,S.KAUSHIK,M.SINHA,P.KAUR,S.SHARMA,T.P. . 341 2 10 9 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15030.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 10.6 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 . 2 0.6 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 . 16 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 1 1 0 0 1 2 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 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 PARALLEL BRIDGES PER LADDER . 0 1 2 1 3 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 . 0 0 0 0 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 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 1 342 A Y 0 0 226 0, 0.0 3,-0.1 0, 0.0 265,-0.0 0.000 360.0 360.0 360.0 131.7 7.1 13.0 29.5 2 343 A T + 0 0 74 1,-0.1 2,-0.5 263,-0.1 0, 0.0 0.146 360.0 95.5 81.7 -12.7 7.7 12.2 25.9 3 344 A R - 0 0 128 25,-0.0 2,-0.4 2,-0.0 25,-0.2 -0.936 54.6-173.9-112.4 121.1 6.9 8.5 26.7 4 345 A V E -a 28 0A 0 23,-2.2 25,-2.5 -2,-0.5 2,-0.7 -0.915 17.4-144.8-116.3 131.4 3.4 7.2 26.1 5 346 A V E -a 29 0A 33 -2,-0.4 44,-3.0 23,-0.2 45,-1.5 -0.882 20.0-153.7 -94.9 116.0 2.0 3.8 27.1 6 347 A W E -ab 30 50A 2 23,-3.8 25,-3.0 -2,-0.7 2,-0.8 -0.698 9.5-132.9 -88.6 139.8 -0.5 2.6 24.5 7 348 A a E -a 31 0A 1 43,-2.8 2,-0.3 -2,-0.3 25,-0.2 -0.838 20.0-161.8 -98.6 113.2 -3.2 0.1 25.5 8 349 A A E -a 32 0A 0 23,-3.5 25,-2.3 -2,-0.8 2,-0.8 -0.715 11.4-140.7 -90.1 135.1 -3.6 -2.8 23.0 9 350 A V E -a 33 0A 11 -2,-0.3 169,-0.5 23,-0.2 4,-0.5 -0.832 67.9 -16.6 -98.8 104.7 -6.8 -4.9 23.0 10 351 A G S > S- 0 0 1 23,-2.8 4,-1.6 -2,-0.8 3,-0.2 -0.046 92.5 -66.3 89.1 166.6 -5.9 -8.6 22.5 11 352 A P H > S+ 0 0 67 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.846 126.7 53.6 -62.6 -41.1 -2.8 -10.4 21.3 12 353 A E H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -2,-0.1 0.843 110.5 47.2 -67.9 -34.1 -2.8 -9.2 17.7 13 354 A E H > S+ 0 0 31 -4,-0.5 4,-2.7 -3,-0.2 -1,-0.2 0.835 110.5 54.9 -70.6 -33.2 -3.0 -5.5 18.8 14 355 A Q H X S+ 0 0 71 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.954 107.6 48.3 -61.6 -51.2 -0.2 -6.3 21.2 15 356 A K H X S+ 0 0 138 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.927 113.6 47.1 -54.8 -48.2 2.0 -7.7 18.4 16 357 A K H X S+ 0 0 12 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.941 113.7 48.9 -59.7 -44.1 1.3 -4.6 16.3 17 358 A b H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.904 106.3 55.4 -62.9 -43.4 2.0 -2.3 19.3 18 359 A Q H X S+ 0 0 100 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.869 108.8 48.9 -57.1 -39.9 5.3 -4.1 20.2 19 360 A Q H X S+ 0 0 92 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.899 112.8 45.8 -63.8 -49.4 6.6 -3.4 16.6 20 361 A W H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.861 111.7 53.8 -58.0 -43.4 5.6 0.2 16.8 21 362 A S H <>S+ 0 0 9 -4,-3.2 5,-2.2 2,-0.2 4,-0.4 0.942 110.1 47.0 -57.3 -49.4 7.2 0.3 20.2 22 363 A Q H ><5S+ 0 0 139 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.922 114.4 45.7 -55.7 -52.8 10.4 -1.1 18.7 23 364 A Q H 3<5S+ 0 0 69 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.685 108.0 58.3 -65.2 -22.9 10.4 1.4 15.8 24 365 A S T ><5S- 0 0 9 -4,-1.6 3,-0.6 -3,-0.2 -1,-0.2 0.522 111.6-118.2 -84.3 -7.2 9.6 4.4 18.1 25 366 A G T < 5S- 0 0 53 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.837 72.1 -57.7 69.0 33.3 12.7 3.7 20.2 26 367 A Q T 3 S- 0 0 37 1,-0.1 4,-1.5 -27,-0.1 -25,-0.1 -0.914 77.4-117.6-138.2 163.0 -11.2 -6.0 26.4 36 377 A T H > S+ 0 0 9 140,-0.4 4,-2.2 -2,-0.3 5,-0.1 0.886 115.7 57.4 -68.5 -42.5 -11.5 -2.4 25.6 37 378 A D H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.872 105.4 51.1 -51.4 -43.9 -13.2 -1.8 29.0 38 379 A D H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.863 108.1 51.7 -63.1 -39.1 -10.1 -3.3 30.7 39 380 A a H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.879 107.8 52.6 -62.1 -38.6 -8.0 -0.9 28.6 40 381 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.914 108.8 50.1 -61.9 -45.2 -10.2 2.0 29.9 41 382 A V H X S+ 0 0 37 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.908 107.1 53.9 -58.5 -44.6 -9.6 0.8 33.5 42 383 A L H X>S+ 0 0 28 -4,-2.3 5,-2.4 1,-0.2 6,-1.1 0.875 109.8 48.5 -58.4 -37.1 -5.8 0.7 32.9 43 384 A V H ><5S+ 0 0 1 -4,-1.7 3,-0.5 4,-0.2 -2,-0.2 0.906 109.3 51.4 -70.1 -43.6 -5.9 4.3 31.7 44 385 A L H 3<5S+ 0 0 51 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.881 110.3 49.6 -57.1 -41.7 -8.0 5.5 34.7 45 386 A K H 3<5S- 0 0 122 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.689 116.2-119.2 -70.2 -21.3 -5.5 3.8 37.0 46 387 A G T <<5S+ 0 0 40 -4,-0.7 -3,-0.2 -3,-0.5 -2,-0.1 0.609 83.7 117.3 88.3 15.3 -2.7 5.6 35.1 47 388 A E S > - 0 0 4 -2,-0.4 4,-1.6 200,-0.2 3,-1.0 -0.430 44.0-105.9 -66.0 151.9 -15.1 3.7 18.8 55 396 A G H 3> S+ 0 0 0 197,-0.5 4,-1.3 1,-0.3 5,-0.1 0.785 118.7 61.5 -55.2 -35.6 -17.7 6.3 19.8 56 397 A G H 3> S+ 0 0 1 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.885 110.8 40.3 -57.2 -39.9 -19.7 3.9 21.9 57 398 A Y H <> S+ 0 0 13 -3,-1.0 4,-3.0 2,-0.2 -2,-0.2 0.713 105.0 64.9 -81.2 -24.8 -16.6 3.4 24.1 58 399 A I H X S+ 0 0 1 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.810 102.6 52.4 -64.3 -29.0 -15.8 7.1 24.1 59 400 A Y H X S+ 0 0 18 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.900 110.0 45.6 -70.9 -46.5 -19.1 7.5 25.9 60 401 A T H X S+ 0 0 15 -4,-1.0 4,-0.8 1,-0.2 3,-0.4 0.950 117.1 45.3 -54.2 -55.1 -18.1 4.9 28.5 61 402 A A H <>S+ 0 0 0 -4,-3.0 5,-2.7 1,-0.2 3,-0.3 0.803 108.4 57.4 -60.1 -34.4 -14.6 6.5 28.9 62 403 A G H ><5S+ 0 0 8 -4,-1.5 3,-1.3 1,-0.3 -1,-0.2 0.827 100.9 54.3 -74.9 -34.1 -16.1 10.0 29.0 63 404 A K H 3<5S+ 0 0 55 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.715 107.5 53.5 -68.2 -23.0 -18.3 9.3 32.0 64 405 A c T 3<5S- 0 0 19 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.284 128.9-100.9 -92.8 4.8 -15.1 8.1 33.7 65 406 A G T < 5S+ 0 0 41 -3,-1.3 195,-0.9 1,-0.3 -3,-0.2 0.577 74.1 141.6 90.4 10.1 -13.5 11.4 32.9 66 407 A L E < -D 259 0A 3 -5,-2.7 -1,-0.3 193,-0.2 193,-0.3 -0.540 37.4-143.4 -80.9 154.5 -11.4 10.5 29.9 67 408 A V E -D 258 0A 39 191,-3.6 191,-1.9 -2,-0.2 2,-0.3 -0.907 15.0-110.5-126.5 145.6 -11.1 12.9 27.0 68 409 A P E +D 257 0A 12 0, 0.0 189,-0.2 0, 0.0 3,-0.1 -0.560 36.4 171.0 -66.0 132.4 -10.9 12.9 23.2 69 410 A V E - 0 0 6 187,-3.0 241,-0.5 1,-0.5 2,-0.3 0.774 61.9 -3.8-113.0 -46.3 -7.4 14.0 22.1 70 411 A L E -DE 256 309A 0 186,-0.8 186,-2.7 239,-0.1 -1,-0.5 -0.976 67.1-137.0-152.3 145.4 -7.2 13.4 18.3 71 412 A A E -DE 255 308A 0 237,-2.3 237,-3.4 -2,-0.3 184,-0.3 -0.844 23.5-106.4-111.2 148.7 -9.6 11.8 15.9 72 413 A E E - E 0 307A 9 182,-3.0 2,-0.4 -2,-0.3 235,-0.2 -0.519 36.8-164.1 -60.8 133.7 -9.2 9.4 13.0 73 414 A N E - E 0 306A 1 233,-2.7 232,-2.5 -2,-0.2 233,-1.9 -0.996 5.9-168.5-125.0 124.7 -9.5 11.3 9.7 74 415 A R E - E 0 304A 48 -2,-0.4 230,-0.1 230,-0.2 16,-0.1 -0.490 40.1 -49.4-103.6 178.4 -10.0 9.4 6.5 75 416 A K - 0 0 114 228,-0.6 2,-0.3 -2,-0.2 -1,-0.2 -0.145 59.0-168.6 -44.5 130.4 -10.0 10.2 2.7 76 417 A S - 0 0 33 1,-0.1 -1,-0.1 -3,-0.1 3,-0.0 -0.954 32.4-171.6-130.4 148.3 -11.9 13.4 1.7 77 418 A S S S+ 0 0 113 -2,-0.3 3,-0.5 2,-0.0 2,-0.1 0.753 84.7 56.1 -99.0 -41.5 -13.1 15.1 -1.5 78 419 A K S S+ 0 0 139 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.439 110.8 24.2 -78.7 163.6 -14.4 18.2 0.3 79 420 A H S > S+ 0 0 70 1,-0.1 3,-1.9 -2,-0.1 -1,-0.2 0.469 80.3 140.2 60.6 2.3 -11.9 20.3 2.5 80 421 A S T 3 + 0 0 87 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.666 59.3 65.5 -52.5 -26.2 -9.1 18.7 0.3 81 422 A S T 3 S+ 0 0 129 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.907 91.6 81.6 -59.4 -43.0 -7.2 22.0 0.3 82 423 A L S < S- 0 0 84 -3,-1.9 2,-0.1 1,-0.1 5,-0.1 -0.282 92.3-102.5 -71.0 145.9 -6.7 21.7 4.1 83 424 A D >> - 0 0 103 1,-0.1 3,-1.5 3,-0.0 4,-1.5 -0.451 32.5-120.2 -64.4 137.4 -4.0 19.6 5.7 84 425 A d T 34 S+ 0 0 9 1,-0.3 3,-0.2 2,-0.2 222,-0.1 0.826 110.3 56.8 -48.0 -44.1 -5.4 16.4 7.2 85 426 A V T 34 S+ 0 0 24 1,-0.2 224,-3.0 223,-0.2 -1,-0.3 0.754 116.8 35.9 -63.8 -24.6 -4.4 17.2 10.8 86 427 A L T <4 S+ 0 0 110 -3,-1.5 -1,-0.2 222,-0.2 -2,-0.2 0.557 94.0 105.9-105.2 -14.7 -6.4 20.4 10.7 87 428 A R S < S- 0 0 12 -4,-1.5 -7,-0.0 -3,-0.2 -8,-0.0 -0.463 78.1-110.8 -67.9 134.2 -9.3 19.2 8.5 88 429 A P - 0 0 67 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.340 33.9-109.3 -62.7 148.9 -12.6 18.6 10.3 89 430 A T - 0 0 46 1,-0.1 -16,-0.1 221,-0.1 -17,-0.0 -0.563 22.1-154.8 -78.2 144.0 -13.6 14.9 10.7 90 431 A E - 0 0 91 -2,-0.2 -1,-0.1 -16,-0.1 -17,-0.1 0.807 29.9-124.9 -93.5 -30.6 -16.7 13.9 8.6 91 432 A G - 0 0 9 163,-0.1 2,-0.2 159,-0.1 -1,-0.1 0.021 22.5-102.1 96.1 149.1 -18.2 10.9 10.5 92 433 A Y E -F 251 0B 5 159,-2.2 159,-4.0 -2,-0.1 2,-0.6 -0.676 29.8-108.4-108.0 165.9 -18.8 7.5 9.0 93 434 A L E -F 250 0B 24 157,-0.2 111,-2.0 -2,-0.2 2,-0.5 -0.810 20.0-144.8 -98.8 123.4 -22.1 5.9 7.8 94 435 A A E +FG 249 203B 1 155,-2.7 154,-3.0 -2,-0.6 155,-1.0 -0.776 31.2 178.5 -82.6 123.3 -23.6 3.2 9.9 95 436 A V E - 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0 0 32 -2,-0.6 3,-1.8 -3,-0.1 131,-0.1 -0.766 59.1 -90.1-128.2 176.9 -35.9 -5.6 4.5 107 448 A W G > S+ 0 0 7 125,-0.5 3,-0.9 129,-0.3 4,-0.2 0.868 126.6 56.3 -53.8 -38.0 -35.5 -3.4 7.6 108 449 A N G 3 S+ 0 0 120 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.381 106.5 47.6 -78.4 0.2 -39.1 -4.4 8.4 109 450 A S G < S+ 0 0 37 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.056 74.2 107.6-128.7 28.2 -38.5 -8.2 8.3 110 451 A L X + 0 0 1 -3,-0.9 3,-2.4 2,-0.1 -2,-0.1 0.736 46.5 113.6 -77.3 -23.2 -35.4 -8.5 10.5 111 452 A K T 3 S+ 0 0 107 1,-0.3 35,-0.2 -4,-0.2 3,-0.1 -0.271 87.5 9.4 -54.5 128.9 -37.2 -10.1 13.4 112 453 A D T 3 S+ 0 0 92 33,-2.8 -1,-0.3 1,-0.3 34,-0.2 0.525 101.6 124.9 74.0 9.8 -36.1 -13.7 13.9 113 454 A K < - 0 0 66 -3,-2.4 34,-2.0 32,-0.2 35,-0.7 -0.370 68.5-100.5 -88.1 175.0 -33.2 -13.3 11.5 114 455 A K E -i 148 0B 60 32,-0.2 84,-2.8 33,-0.2 85,-1.4 -0.851 42.7-159.4 -98.8 131.3 -29.5 -14.0 12.2 115 456 A S E -ij 149 199B 0 33,-2.2 35,-1.7 -2,-0.4 2,-0.5 -0.860 17.2-153.8-122.4 153.4 -27.4 -10.9 12.9 116 457 A e E -ij 150 200B 0 83,-2.0 85,-2.5 -2,-0.3 2,-0.3 -0.984 18.3-176.8-123.7 116.5 -23.7 -9.9 12.9 117 458 A H E - 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