==== 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 03-SEP-06 2DXY . COMPND 2 MOLECULE: LACTOTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.MIR,N.SINGH,M.SINHA,S.SHARMA,A.BHUSHAN,T.P.SINGH . 341 2 10 9 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15303.0 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 . 16 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 10.3 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 . 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 . 81 23.8 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 1 1 1 0 0 1 2 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 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 0 218 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -93.7 38.6 11.7 30.1 2 343 A T + 0 0 80 2,-0.1 2,-0.5 266,-0.0 0, 0.0 0.236 360.0 95.3 -76.5 13.1 39.2 12.1 26.4 3 344 A R - 0 0 120 25,-0.0 2,-0.4 2,-0.0 25,-0.2 -0.945 64.1-165.8-103.6 126.3 38.7 8.4 26.8 4 345 A V E -a 28 0A 0 23,-2.2 25,-2.7 -2,-0.5 2,-0.7 -0.921 14.1-143.7-114.6 132.8 35.1 7.2 26.2 5 346 A V E -a 29 0A 22 -2,-0.4 44,-2.8 23,-0.2 45,-1.4 -0.888 19.0-155.8 -96.3 114.5 33.6 3.8 27.2 6 347 A W E -ab 30 50A 2 23,-3.5 25,-2.6 -2,-0.7 2,-0.6 -0.644 10.8-132.6 -85.7 146.5 31.2 2.7 24.6 7 348 A a E -a 31 0A 0 43,-2.3 2,-0.4 -2,-0.3 25,-0.2 -0.906 20.4-161.2-104.3 120.9 28.4 0.2 25.6 8 349 A A E -a 32 0A 0 23,-3.1 25,-2.6 -2,-0.6 2,-0.8 -0.786 11.7-138.5-101.4 140.5 28.0 -2.7 23.2 9 350 A V E > -a 33 0A 12 -2,-0.4 169,-0.5 23,-0.2 4,-0.5 -0.851 66.8 -21.3-103.7 106.3 24.9 -4.9 23.1 10 351 A G H > S- 0 0 3 23,-2.6 4,-1.4 -2,-0.8 23,-0.1 -0.066 92.6 -62.5 84.8 171.2 25.7 -8.5 22.7 11 352 A P H > S+ 0 0 62 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.725 125.7 54.2 -68.4 -27.5 28.8 -10.3 21.4 12 353 A E H > S+ 0 0 70 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.888 110.4 45.8 -77.7 -39.3 28.8 -9.1 17.8 13 354 A E H X S+ 0 0 33 -4,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.852 109.8 57.4 -65.8 -33.9 28.7 -5.4 18.7 14 355 A Q H X S+ 0 0 72 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.956 105.1 50.2 -60.3 -48.1 31.5 -6.2 21.3 15 356 A K H X S+ 0 0 144 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.911 112.7 46.0 -56.0 -46.9 33.7 -7.6 18.5 16 357 A K H X S+ 0 0 10 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.905 111.8 52.0 -63.5 -42.2 33.1 -4.4 16.4 17 358 A b H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.919 105.7 55.0 -60.5 -45.2 33.7 -2.2 19.4 18 359 A Q H X S+ 0 0 103 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.904 108.4 48.5 -54.2 -44.1 37.0 -4.0 20.1 19 360 A Q H X S+ 0 0 100 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.922 112.4 48.0 -60.2 -47.8 38.2 -3.3 16.6 20 361 A W H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.897 111.5 52.3 -59.2 -41.2 37.2 0.4 16.9 21 362 A S H <>S+ 0 0 13 -4,-2.9 5,-2.4 2,-0.2 7,-0.3 0.942 110.3 46.6 -59.7 -50.7 39.0 0.4 20.3 22 363 A Q H ><5S+ 0 0 151 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.929 115.0 46.6 -55.9 -50.1 42.2 -1.0 18.8 23 364 A Q H 3<5S+ 0 0 69 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.746 107.4 56.6 -67.9 -27.9 42.2 1.4 15.9 24 365 A S T ><5S- 0 0 8 -4,-1.9 3,-1.0 -5,-0.2 -1,-0.3 0.386 111.9-116.6 -84.0 -0.3 41.4 4.5 18.1 25 366 A G T < 5S- 0 0 58 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.841 71.8 -58.3 66.3 31.4 44.5 3.9 20.2 26 367 A Q T 3 S- 0 0 35 1,-0.1 4,-1.7 -27,-0.1 5,-0.1 -0.941 75.9-116.1-139.9 162.3 20.5 -5.9 26.4 36 377 A T H > S+ 0 0 10 140,-0.4 4,-2.1 -2,-0.3 5,-0.2 0.888 116.0 56.5 -62.4 -39.9 20.1 -2.3 25.7 37 378 A D H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.899 106.7 49.6 -60.3 -42.0 18.3 -1.7 29.0 38 379 A D H > S+ 0 0 86 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.857 107.7 53.8 -64.4 -37.6 21.4 -3.2 30.8 39 380 A a H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.874 104.9 55.4 -61.1 -37.7 23.6 -0.8 28.8 40 381 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.911 106.6 50.7 -61.9 -39.7 21.5 2.1 30.0 41 382 A V H X S+ 0 0 41 -4,-1.7 4,-2.3 2,-0.2 6,-0.2 0.898 106.4 53.8 -65.7 -42.3 22.1 1.0 33.5 42 383 A L H X>S+ 0 0 29 -4,-1.9 5,-2.1 2,-0.2 6,-1.2 0.937 109.7 49.3 -56.0 -42.8 25.9 0.9 33.0 43 384 A V H ><5S+ 0 0 1 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.950 109.5 50.5 -63.2 -45.1 25.7 4.4 31.7 44 385 A L H 3<5S+ 0 0 49 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.882 110.2 50.5 -59.1 -39.6 23.7 5.6 34.7 45 386 A K H 3<5S- 0 0 119 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.653 115.0-118.7 -73.8 -15.5 26.3 4.0 37.1 46 387 A G T <<5S+ 0 0 42 -3,-1.0 -3,-0.2 -4,-0.9 -2,-0.1 0.568 84.8 116.7 88.6 9.7 29.0 5.7 35.2 47 388 A E S > - 0 0 5 -2,-0.4 4,-1.5 200,-0.2 3,-0.9 -0.420 45.1-102.7 -67.5 154.3 16.6 3.9 18.9 55 396 A G H 3> S+ 0 0 0 197,-0.5 4,-1.5 1,-0.3 5,-0.1 0.760 118.5 59.0 -52.1 -37.4 14.0 6.4 19.8 56 397 A G H 3> S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.880 110.4 44.2 -61.4 -36.8 11.9 4.1 22.1 57 398 A Y H <> S+ 0 0 12 -3,-0.9 4,-3.0 2,-0.2 -2,-0.2 0.786 104.9 61.7 -76.7 -25.1 15.0 3.6 24.2 58 399 A I H X S+ 0 0 1 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.862 102.9 53.3 -67.0 -31.7 15.8 7.3 24.2 59 400 A Y H X S+ 0 0 13 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.947 110.6 45.0 -65.0 -48.4 12.5 7.7 25.9 60 401 A T H X S+ 0 0 12 -4,-1.5 4,-0.8 1,-0.2 -2,-0.2 0.944 117.0 45.6 -54.1 -51.2 13.5 5.1 28.6 61 402 A A H <>S+ 0 0 1 -4,-3.0 5,-2.7 1,-0.2 3,-0.3 0.837 108.0 58.2 -64.6 -36.0 16.9 6.7 28.9 62 403 A G H ><5S+ 0 0 8 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.861 100.4 54.2 -64.8 -44.4 15.4 10.2 29.0 63 404 A K H 3<5S+ 0 0 47 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.762 108.1 53.0 -61.5 -27.2 13.2 9.5 32.1 64 405 A c T 3<5S- 0 0 21 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.359 127.9 -99.7 -90.1 4.9 16.4 8.4 33.8 65 406 A G T < 5S+ 0 0 41 -3,-1.7 195,-0.7 1,-0.3 -3,-0.2 0.517 74.9 139.2 95.1 4.6 18.2 11.6 33.0 66 407 A L E < -D 259 0A 4 -5,-2.7 -1,-0.3 193,-0.2 193,-0.2 -0.503 37.7-147.7 -78.7 156.4 20.2 10.6 30.0 67 408 A V E -D 258 0A 40 191,-3.1 191,-2.1 -2,-0.1 2,-0.2 -0.922 16.1-108.1-128.0 150.6 20.5 13.1 27.1 68 409 A P E +D 257 0A 13 0, 0.0 189,-0.3 0, 0.0 3,-0.1 -0.533 34.1 174.9 -70.4 139.1 20.8 13.0 23.3 69 410 A V E - 0 0 8 187,-3.4 241,-0.5 1,-0.5 2,-0.3 0.797 60.5 -6.1-114.6 -50.5 24.2 14.1 22.1 70 411 A L E -DE 256 309A 0 186,-0.7 186,-2.7 239,-0.1 -1,-0.5 -0.970 66.7-134.2-147.9 154.1 24.5 13.6 18.3 71 412 A A E -DE 255 308A 0 237,-2.5 237,-3.1 -2,-0.3 184,-0.2 -0.880 21.7-107.9-118.4 145.5 22.1 12.0 15.8 72 413 A E E - E 0 307A 10 182,-2.6 2,-0.4 -2,-0.4 235,-0.2 -0.438 36.8-166.4 -60.6 137.9 22.5 9.5 13.0 73 414 A N E - E 0 306A 2 233,-2.5 232,-2.4 -2,-0.1 233,-1.7 -0.995 2.0-166.4-127.9 123.8 22.1 11.4 9.7 74 415 A R - 0 0 49 -2,-0.4 230,-0.1 230,-0.2 16,-0.1 -0.528 44.2 -57.9 -99.6 179.4 21.6 9.5 6.4 75 416 A K - 0 0 116 228,-0.5 -1,-0.1 -2,-0.2 2,-0.1 -0.285 60.7-163.0 -60.9 136.0 21.8 10.8 2.8 76 417 A S - 0 0 32 1,-0.1 3,-0.1 -3,-0.1 -1,-0.1 -0.252 26.1-156.0-107.1-169.7 19.5 13.7 2.0 77 418 A S S S+ 0 0 120 1,-0.4 3,-0.4 -2,-0.1 2,-0.2 0.469 77.7 56.1-136.2 -48.5 18.0 15.5 -1.0 78 419 A K S S+ 0 0 154 1,-0.2 -1,-0.4 2,-0.1 -2,-0.0 -0.509 98.6 39.7 -85.4 162.1 17.0 19.0 0.3 79 420 A H > + 0 0 87 -2,-0.2 3,-0.6 -3,-0.1 -1,-0.2 0.843 67.7 172.2 65.2 37.8 19.6 21.3 1.9 80 421 A S T 3 + 0 0 116 -3,-0.4 -2,-0.1 1,-0.2 -1,-0.1 0.792 67.1 58.8 -43.9 -38.3 22.3 20.2 -0.6 81 422 A S T 3 S+ 0 0 125 2,-0.0 -1,-0.2 0, 0.0 6,-0.1 0.926 82.9 93.4 -64.4 -49.3 24.8 22.9 0.6 82 423 A L S < S- 0 0 79 -3,-0.6 5,-0.1 1,-0.1 2,-0.1 -0.073 79.1-112.2 -55.7 141.3 25.1 22.0 4.3 83 424 A D >> - 0 0 101 1,-0.1 4,-1.3 3,-0.0 3,-1.1 -0.405 33.0-113.5 -63.5 146.2 27.8 19.7 5.7 84 425 A d G >4 S+ 0 0 11 1,-0.2 3,-0.6 2,-0.2 222,-0.1 0.894 115.4 56.5 -49.7 -44.5 26.4 16.4 7.0 85 426 A V G 34 S+ 0 0 28 1,-0.2 224,-2.8 223,-0.2 -1,-0.2 0.750 114.3 38.7 -63.8 -25.3 27.3 17.2 10.6 86 427 A L G <4 S+ 0 0 108 -3,-1.1 -1,-0.2 222,-0.2 -2,-0.2 0.540 92.3 108.9 -99.8 -12.6 25.3 20.5 10.5 87 428 A R S << S- 0 0 20 -4,-1.3 224,-0.1 -3,-0.6 -8,-0.0 -0.452 74.4-113.6 -71.5 133.6 22.4 19.2 8.5 88 429 A P - 0 0 70 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.302 34.9-110.4 -58.2 149.1 19.1 18.8 10.2 89 430 A T - 0 0 52 1,-0.1 -16,-0.1 -16,-0.1 -17,-0.0 -0.564 20.9-159.6 -82.5 152.1 17.8 15.2 10.6 90 431 A E - 0 0 100 -2,-0.2 -1,-0.1 -16,-0.1 -17,-0.1 0.775 30.7-130.2-102.8 -33.2 14.8 14.1 8.5 91 432 A G - 0 0 8 159,-0.1 2,-0.3 163,-0.1 -1,-0.1 -0.119 20.7 -92.0 102.0 160.0 13.6 11.0 10.4 92 433 A Y E -F 251 0B 5 159,-2.1 159,-4.0 -2,-0.1 2,-0.6 -0.756 30.2-113.1-114.0 163.8 12.8 7.6 9.1 93 434 A L E -F 250 0B 25 -2,-0.3 111,-2.1 157,-0.2 2,-0.4 -0.811 20.5-146.0 -97.2 122.1 9.5 6.1 7.9 94 435 A A E +FG 249 203B 1 155,-2.7 154,-3.1 -2,-0.6 155,-0.9 -0.678 30.2 175.7 -80.3 125.7 8.0 3.3 9.9 95 436 A V E - G 0 202B 1 107,-2.7 107,-1.5 -2,-0.4 2,-0.5 -0.869 33.0-133.0-129.4 167.8 6.3 0.8 7.6 96 437 A A E - G 0 201B 0 135,-0.5 135,-2.7 -2,-0.3 2,-0.4 -0.993 31.0-162.5-120.5 124.3 4.5 -2.5 7.7 97 438 A V E +HG 230 200B 0 103,-2.6 103,-2.0 -2,-0.5 2,-0.3 -0.904 14.0 169.7-118.1 135.0 5.7 -4.9 5.0 98 439 A V E -HG 229 199B 0 131,-3.1 131,-2.5 -2,-0.4 2,-0.4 -0.839 39.8 -91.4-132.2 171.9 4.1 -8.0 3.5 99 440 A K E > -H 228 0B 30 99,-0.5 3,-1.3 -2,-0.3 129,-0.3 -0.713 26.1-135.0 -82.3 137.1 4.7 -10.4 0.6 100 441 A K T 3 S+ 0 0 93 127,-2.8 -1,-0.1 -2,-0.4 128,-0.1 0.913 105.8 63.2 -51.3 -42.7 2.8 -9.5 -2.6 101 442 A A T 3 S+ 0 0 83 126,-0.5 2,-1.6 1,-0.2 -1,-0.2 0.698 83.7 78.7 -59.0 -20.5 1.9 -13.3 -2.8 102 443 A N S X S- 0 0 55 -3,-1.3 3,-1.0 96,-0.1 -1,-0.2 -0.634 80.2-169.3 -91.5 77.6 -0.0 -13.0 0.4 103 444 A E T 3 + 0 0 165 -2,-1.6 3,-0.1 1,-0.2 -2,-0.1 -0.303 59.6 24.0 -73.9 151.0 -3.0 -11.4 -1.3 104 445 A G T 3 S+ 0 0 64 1,-0.3 2,-0.6 -2,-0.0 -1,-0.2 0.567 83.9 129.4 73.3 4.2 -5.9 -9.8 0.5 105 446 A L < + 0 0 6 -3,-1.0 -1,-0.3 93,-0.0 2,-0.3 -0.865 31.1 153.6 -89.9 120.3 -3.8 -9.2 3.6 106 447 A T > - 0 0 28 -2,-0.6 3,-2.0 -3,-0.1 125,-0.1 -0.822 62.5 -84.9-135.5 177.9 -4.2 -5.5 4.5 107 448 A W G > S+ 0 0 11 125,-0.5 3,-1.2 129,-0.3 4,-0.2 0.888 126.5 56.1 -51.8 -42.7 -4.0 -3.4 7.7 108 449 A N G 3 S+ 0 0 124 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.442 106.9 47.3 -74.7 -2.6 -7.6 -4.4 8.5 109 450 A S G < S+ 0 0 36 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.055 75.1 108.1-124.1 27.9 -7.0 -8.1 8.4 110 451 A L X + 0 0 2 -3,-1.2 3,-2.1 2,-0.1 -2,-0.1 0.789 46.8 113.4 -75.0 -26.6 -3.9 -8.3 10.6 111 452 A K T 3 S+ 0 0 101 1,-0.3 35,-0.2 -4,-0.2 3,-0.1 -0.162 86.7 7.2 -48.0 131.8 -5.7 -9.9 13.5 112 453 A D T 3 S+ 0 0 94 33,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.585 102.3 120.7 66.4 14.0 -4.5 -13.5 14.1 113 454 A K S < S- 0 0 68 -3,-2.1 34,-1.3 32,-0.2 35,-0.5 -0.560 70.2 -95.6 -98.0 173.0 -1.7 -13.3 11.7 114 455 A K - 0 0 61 -2,-0.2 84,-2.4 32,-0.2 85,-1.4 -0.712 41.2-161.5 -92.4 135.1 2.0 -13.8 12.4 115 456 A S E -ij 149 199B 0 33,-1.9 35,-1.6 -2,-0.4 2,-0.4 -0.851 16.3-153.7-123.6 154.2 4.2 -10.8 13.0 116 457 A e E -ij 150 200B 0 83,-2.1 85,-2.3 -2,-0.3 2,-0.3 -0.992 19.8-178.4-124.5 120.5 7.9 -9.9 13.0 117 458 A H E - 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