==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 15-NOV-06 2NWJ . COMPND 2 MOLECULE: LACTOTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR N.SINGH,S.SHARMA,M.PERBANDT,P.KAUR,C.BETZEL,T.P.SINGH . 341 2 10 9 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15014.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 68.3 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 . 1 0.3 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 . 18 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 23.2 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 0 3 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 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 0 237 0, 0.0 26,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -12.1 41.8 9.7 30.1 2 343 A T + 0 0 53 2,-0.1 267,-0.1 267,-0.0 25,-0.1 0.706 360.0 142.9 -73.3 -16.4 39.6 11.6 27.6 3 344 A R - 0 0 123 23,-0.1 2,-0.5 1,-0.1 25,-0.2 0.292 44.8-144.9 -27.4 129.6 38.3 8.0 26.7 4 345 A V E -a 28 0A 0 23,-2.6 25,-2.6 262,-0.1 2,-0.8 -0.902 8.0-147.6-107.2 129.1 34.7 7.3 25.8 5 346 A V E -a 29 0A 38 -2,-0.5 44,-3.3 23,-0.2 45,-1.6 -0.856 15.7-158.4 -97.6 109.9 33.3 4.0 26.9 6 347 A W E -ab 30 50A 2 23,-3.1 25,-2.7 -2,-0.8 2,-0.6 -0.547 11.1-132.9 -85.5 153.0 30.7 2.7 24.3 7 348 A a E -a 31 0A 0 43,-2.0 2,-0.4 23,-0.2 25,-0.2 -0.941 18.4-161.2-112.5 118.8 28.1 0.2 25.3 8 349 A A E -a 32 0A 0 23,-3.1 25,-2.5 -2,-0.6 2,-0.8 -0.804 11.6-139.8 -98.3 136.0 27.6 -2.7 22.9 9 350 A V E -a 33 0A 8 -2,-0.4 169,-0.5 23,-0.2 4,-0.5 -0.840 68.3 -15.3 -99.2 106.2 24.4 -4.8 22.9 10 351 A G S > S- 0 0 3 23,-2.7 4,-1.7 -2,-0.8 23,-0.1 -0.048 93.0 -67.3 90.0 166.3 25.2 -8.5 22.5 11 352 A P H > S+ 0 0 59 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.740 126.7 54.1 -63.8 -30.9 28.4 -10.3 21.2 12 353 A E H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.912 111.6 44.1 -73.5 -42.3 28.3 -9.1 17.6 13 354 A E H > S+ 0 0 31 -4,-0.5 4,-2.7 1,-0.2 5,-0.2 0.879 111.6 56.7 -67.6 -35.1 28.2 -5.4 18.6 14 355 A Q H X S+ 0 0 72 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.923 106.5 48.7 -60.9 -44.4 30.9 -6.2 21.2 15 356 A K H X S+ 0 0 139 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.919 113.4 46.0 -62.4 -43.7 33.1 -7.5 18.4 16 357 A K H X S+ 0 0 14 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.889 111.9 51.8 -66.5 -38.7 32.6 -4.5 16.2 17 358 A b H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.890 107.8 52.1 -64.1 -39.6 33.1 -2.2 19.2 18 359 A Q H X S+ 0 0 101 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.859 108.5 50.8 -64.7 -34.7 36.4 -4.0 20.0 19 360 A Q H X S+ 0 0 102 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.922 112.3 47.3 -66.8 -44.9 37.5 -3.4 16.4 20 361 A W H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.899 110.6 52.1 -63.5 -41.7 36.6 0.2 16.7 21 362 A S H <>S+ 0 0 13 -4,-2.8 5,-2.4 2,-0.2 3,-0.4 0.961 110.6 47.8 -59.4 -52.6 38.4 0.4 20.1 22 363 A Q H ><5S+ 0 0 143 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.933 114.5 45.4 -52.9 -52.2 41.6 -1.1 18.6 23 364 A Q H 3<5S+ 0 0 49 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.724 109.3 56.0 -68.0 -21.8 41.5 1.3 15.6 24 365 A S T ><5S- 0 0 8 -4,-1.7 3,-0.8 -3,-0.4 -1,-0.3 0.399 113.1-114.8 -89.9 1.4 40.8 4.4 17.7 25 366 A G T < 5S- 0 0 58 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.870 70.8 -60.8 65.9 36.3 43.9 3.8 19.9 26 367 A Q T 3 S- 0 0 32 1,-0.1 4,-1.9 -27,-0.1 5,-0.1 -0.955 77.2-114.6-141.5 160.9 20.1 -5.8 26.1 36 377 A T H > S+ 0 0 10 140,-0.5 4,-2.5 -2,-0.3 5,-0.2 0.900 117.4 54.9 -61.9 -41.0 19.7 -2.2 25.3 37 378 A D H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 106.5 50.9 -59.5 -41.9 18.0 -1.6 28.6 38 379 A D H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.886 109.5 51.4 -62.7 -36.2 21.0 -3.1 30.4 39 380 A a H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.905 106.1 53.7 -66.4 -40.3 23.3 -0.8 28.5 40 381 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.924 108.4 51.1 -60.1 -40.2 21.2 2.2 29.5 41 382 A V H X S+ 0 0 39 -4,-2.1 4,-2.5 1,-0.2 6,-0.2 0.910 106.6 53.3 -64.1 -40.7 21.7 1.0 33.1 42 383 A L H X>S+ 0 0 30 -4,-2.1 5,-2.3 1,-0.2 6,-1.0 0.924 111.2 47.1 -60.7 -40.1 25.5 0.8 32.6 43 384 A V H ><5S+ 0 0 1 -4,-2.3 3,-0.9 4,-0.2 -2,-0.2 0.933 110.3 51.5 -66.5 -44.0 25.4 4.4 31.3 44 385 A L H 3<5S+ 0 0 44 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.878 110.7 49.8 -59.3 -36.6 23.3 5.5 34.2 45 386 A K H 3<5S- 0 0 111 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.654 115.3-117.5 -75.8 -16.6 25.8 3.9 36.6 46 387 A G T <<5S+ 0 0 41 -3,-0.9 -3,-0.2 -4,-0.9 -2,-0.1 0.547 85.8 116.4 89.9 8.5 28.7 5.6 34.9 47 388 A E S > - 0 0 3 -2,-0.4 4,-1.8 200,-0.2 3,-0.9 -0.410 46.6-103.4 -71.1 155.7 16.2 3.8 18.6 55 396 A G H 3> S+ 0 0 0 197,-0.4 4,-1.8 1,-0.3 -1,-0.1 0.780 120.8 58.6 -53.8 -34.4 13.6 6.4 19.7 56 397 A G H 3> S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.887 111.0 43.5 -63.5 -36.8 11.6 4.1 21.9 57 398 A Y H <> S+ 0 0 13 -3,-0.9 4,-3.3 2,-0.2 5,-0.2 0.793 106.3 60.3 -77.8 -29.4 14.8 3.5 23.8 58 399 A I H X S+ 0 0 0 -4,-1.8 4,-3.2 2,-0.2 -2,-0.2 0.886 104.6 52.3 -63.8 -35.1 15.6 7.3 23.8 59 400 A Y H X S+ 0 0 9 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.962 111.1 44.8 -63.1 -52.3 12.3 7.6 25.6 60 401 A T H X S+ 0 0 11 -4,-1.5 4,-0.8 1,-0.2 -2,-0.2 0.949 117.9 44.7 -56.2 -51.9 13.3 5.0 28.3 61 402 A A H ><>S+ 0 0 0 -4,-3.3 5,-2.2 1,-0.2 3,-1.0 0.917 110.9 54.1 -59.9 -45.1 16.8 6.6 28.6 62 403 A G H ><5S+ 0 0 8 -4,-3.2 3,-1.6 1,-0.3 -1,-0.2 0.838 101.6 56.7 -59.5 -37.2 15.4 10.1 28.7 63 404 A K H 3<5S+ 0 0 43 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.761 107.6 52.6 -65.7 -22.8 13.0 9.3 31.6 64 405 A c T <<5S- 0 0 22 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.349 128.4 -98.3 -94.0 3.7 16.2 8.3 33.4 65 406 A G T < 5S+ 0 0 45 -3,-1.6 195,-0.6 1,-0.3 -3,-0.2 0.405 77.7 136.8 96.7 -2.8 18.0 11.5 32.7 66 407 A L E < -D 259 0A 3 -5,-2.2 -1,-0.3 193,-0.2 193,-0.2 -0.479 39.6-147.3 -76.7 151.4 20.1 10.5 29.7 67 408 A V E -D 258 0A 39 191,-3.0 191,-1.7 -2,-0.1 248,-0.1 -0.881 16.1 -97.4-124.2 159.3 20.2 13.0 26.8 68 409 A P E +D 257 0A 11 0, 0.0 189,-0.2 0, 0.0 3,-0.1 -0.294 38.3 168.6 -62.4 139.1 20.5 13.2 23.0 69 410 A V E - 0 0 6 187,-2.7 241,-0.5 1,-0.5 2,-0.3 0.730 60.6 -12.3-121.8 -47.4 23.9 13.8 21.8 70 411 A L E -D 256 0A 0 186,-0.7 186,-3.1 239,-0.1 -1,-0.5 -0.960 65.0-134.0-151.1 149.9 24.1 13.4 18.1 71 412 A A E -DE 255 308A 0 237,-2.3 237,-3.4 -2,-0.3 184,-0.3 -0.837 22.7-107.0-114.5 150.8 21.6 11.8 15.6 72 413 A E E - E 0 307A 9 182,-2.9 2,-0.5 -2,-0.3 235,-0.2 -0.526 34.4-162.0 -68.6 138.6 22.0 9.4 12.8 73 414 A N E - E 0 306A 4 233,-2.2 232,-2.7 -2,-0.2 233,-1.5 -0.972 6.8-146.7-129.0 114.4 21.7 11.2 9.5 74 415 A R E - E 0 304A 48 -2,-0.5 2,-0.6 230,-0.2 230,-0.2 -0.560 35.0 -92.3 -83.3 139.7 20.9 9.1 6.4 75 416 A K + 0 0 140 228,-1.0 2,-0.4 -2,-0.2 -1,-0.1 -0.293 65.5 154.9 -42.9 96.7 22.2 9.9 3.0 76 417 A S - 0 0 31 -2,-0.6 -1,-0.0 2,-0.2 229,-0.0 -0.964 44.1-137.6-132.4 122.4 19.2 11.9 1.9 77 418 A S + 0 0 123 -2,-0.4 -1,-0.1 4,-0.0 -2,-0.1 0.667 66.6 110.2 -57.9 -16.7 20.0 14.5 -0.7 78 419 A K + 0 0 150 1,-0.1 -2,-0.2 3,-0.1 9,-0.0 -0.180 63.5 44.1 -65.9 149.7 17.9 17.4 0.8 79 420 A H S > S- 0 0 94 8,-0.1 3,-1.0 2,-0.1 -1,-0.1 0.942 98.6-125.9 76.6 67.7 19.5 20.5 2.4 80 421 A S T 3 S- 0 0 125 1,-0.3 7,-0.0 3,-0.0 0, 0.0 0.563 74.0 -25.7 -14.0 -93.3 22.0 20.6 -0.7 81 422 A S T 3 S+ 0 0 98 2,-0.1 2,-1.9 3,-0.0 -1,-0.3 -0.212 83.0 138.2-122.7 36.3 25.5 20.7 1.0 82 423 A L S < S- 0 0 83 -3,-1.0 5,-0.2 1,-0.1 4,-0.0 -0.778 79.5-107.1 -64.5 107.4 24.6 22.1 4.2 83 424 A D >> - 0 0 93 -2,-1.9 3,-3.2 3,-0.1 4,-1.2 -0.029 22.4-104.5 -45.6 128.1 27.1 19.4 5.1 84 425 A d T 34 S+ 0 0 5 1,-0.3 3,-0.4 2,-0.2 222,-0.1 0.672 117.7 55.1 0.9 -66.2 25.8 16.1 6.8 85 426 A V T 34 S+ 0 0 31 1,-0.2 224,-2.8 223,-0.2 -1,-0.3 0.744 118.2 36.5 -64.2 -20.9 26.9 16.9 10.3 86 427 A L T <4 S+ 0 0 106 -3,-3.2 -1,-0.2 222,-0.2 -2,-0.2 0.520 93.2 107.4-107.0 -9.7 25.0 20.2 10.2 87 428 A R S < S- 0 0 18 -4,-1.2 2,-0.1 -3,-0.4 -8,-0.1 -0.466 75.1-116.9 -70.7 134.0 22.0 18.9 8.1 88 429 A P - 0 0 58 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.480 32.3-111.2 -72.9 146.5 18.8 18.6 10.1 89 430 A T - 0 0 51 1,-0.1 -16,-0.1 -2,-0.1 -17,-0.0 -0.425 20.7-162.3 -75.0 153.3 17.4 15.0 10.4 90 431 A E - 0 0 86 1,-0.2 -1,-0.1 -2,-0.1 -17,-0.1 0.495 34.7-129.0-114.0 -7.2 14.2 14.2 8.6 91 432 A G - 0 0 8 159,-0.1 2,-0.3 163,-0.1 -1,-0.2 -0.208 24.6 -88.1 83.7 177.0 13.3 11.0 10.5 92 433 A Y E -F 251 0B 3 159,-2.0 159,-3.6 160,-0.2 2,-0.7 -0.879 32.4-106.0-128.0 159.6 12.5 7.6 8.9 93 434 A L E -F 250 0B 21 -2,-0.3 111,-2.6 157,-0.2 2,-0.4 -0.756 23.7-149.7 -91.2 115.6 9.3 6.0 7.7 94 435 A A E +FG 249 203B 0 155,-2.5 154,-3.1 -2,-0.7 155,-1.0 -0.675 29.0 178.0 -79.4 129.2 7.9 3.3 9.9 95 436 A V E - G 0 202B 1 107,-2.8 107,-1.3 -2,-0.4 2,-0.5 -0.865 33.8-131.8-131.7 165.5 6.0 0.8 7.6 96 437 A A E - G 0 201B 0 135,-0.4 135,-2.7 150,-0.3 2,-0.4 -0.985 32.2-163.9-116.2 122.5 4.1 -2.4 7.7 97 438 A V E +HG 230 200B 0 103,-2.8 103,-2.3 -2,-0.5 2,-0.3 -0.915 13.5 169.5-116.2 137.2 5.3 -4.8 5.1 98 439 A V E -HG 229 199B 0 131,-2.7 131,-2.3 -2,-0.4 2,-0.3 -0.816 41.1 -89.7-133.3 173.2 3.7 -7.9 3.7 99 440 A K E > -H 228 0B 28 99,-0.5 3,-1.2 -2,-0.3 129,-0.3 -0.706 26.9-136.7 -85.7 138.4 4.2 -10.3 0.8 100 441 A K T 3 S+ 0 0 67 127,-2.9 -1,-0.2 -2,-0.3 128,-0.1 0.910 106.8 60.4 -58.8 -40.5 2.4 -9.3 -2.4 101 442 A A T 3 S+ 0 0 82 126,-0.5 2,-2.1 1,-0.2 -1,-0.3 0.710 84.3 80.6 -60.0 -22.2 1.5 -13.0 -2.7 102 443 A N S X S- 0 0 53 -3,-1.2 3,-1.1 96,-0.1 -1,-0.2 -0.576 80.9-169.6 -84.5 74.2 -0.4 -12.8 0.6 103 444 A E T 3 + 0 0 162 -2,-2.1 3,-0.1 1,-0.2 -2,-0.1 -0.312 58.3 24.7 -70.0 150.6 -3.3 -11.2 -1.2 104 445 A G T 3 S+ 0 0 59 1,-0.3 2,-0.5 -2,-0.0 -1,-0.2 0.361 83.8 129.4 81.4 -9.3 -6.2 -9.6 0.7 105 446 A L < + 0 0 5 -3,-1.1 -1,-0.3 -6,-0.2 2,-0.3 -0.723 31.5 157.5 -82.2 124.2 -4.1 -8.9 3.8 106 447 A T > - 0 0 28 -2,-0.5 3,-1.9 -3,-0.1 130,-0.1 -0.817 61.5 -88.5-135.7 177.0 -4.5 -5.3 4.7 107 448 A W G > S+ 0 0 5 125,-0.5 3,-0.8 129,-0.3 4,-0.2 0.853 127.7 55.1 -56.5 -32.0 -4.1 -3.1 7.8 108 449 A N G 3 S+ 0 0 115 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.454 106.4 47.6 -83.1 -2.1 -7.7 -4.1 8.5 109 450 A S G < S+ 0 0 38 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 -0.008 76.0 108.8-125.7 30.8 -7.2 -7.8 8.4 110 451 A L X + 0 0 0 -3,-0.8 3,-2.1 2,-0.1 -2,-0.1 0.769 45.4 110.6 -77.3 -26.8 -4.2 -8.1 10.6 111 452 A K T 3 S+ 0 0 117 1,-0.3 35,-0.2 -4,-0.2 34,-0.1 -0.218 88.1 9.2 -53.8 137.5 -5.9 -9.6 13.6 112 453 A D T 3 S+ 0 0 90 33,-3.0 -1,-0.3 1,-0.2 34,-0.2 0.469 102.4 119.5 70.6 6.1 -4.9 -13.3 14.2 113 454 A K S < S- 0 0 69 -3,-2.1 34,-1.7 32,-0.2 35,-0.8 -0.327 71.3 -97.1 -90.2 177.8 -2.1 -13.1 11.6 114 455 A K E -i 148 0B 60 32,-0.2 84,-2.6 33,-0.2 85,-1.7 -0.847 41.4-162.7-101.5 133.0 1.7 -13.6 12.4 115 456 A S E -ij 149 199B 0 33,-1.9 35,-1.4 -2,-0.4 2,-0.5 -0.854 15.8-153.0-121.1 153.9 3.9 -10.6 13.0 116 457 A e E -ij 150 200B 0 83,-2.3 85,-2.6 -2,-0.3 2,-0.3 -0.990 18.8-175.5-123.9 124.7 7.5 -9.8 13.0 117 458 A H E - 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