==== 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 11-JUN-07 2Q8J . COMPND 2 MOLECULE: LACTOTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.MIR,R.JAIN,M.SINHA,N.SINGH,S.SHARMA,P.KAUR,A.BHUSHAN,T.P.S . 341 2 10 9 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15223.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 66.0 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 . 33 9.7 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 . 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 . 17 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.6 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 3 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 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 0 245 0, 0.0 2,-1.1 0, 0.0 264,-0.0 0.000 360.0 360.0 360.0 -34.3 38.9 13.3 30.6 2 343 A T + 0 0 78 1,-0.0 2,-0.5 2,-0.0 0, 0.0 0.174 360.0 96.0 37.8 10.2 39.3 12.1 26.9 3 344 A R - 0 0 126 -2,-1.1 2,-0.3 2,-0.0 25,-0.2 -0.916 54.3-158.0-130.4 112.3 38.6 8.2 26.9 4 345 A V E -a 28 0A 0 23,-1.7 25,-1.9 -2,-0.5 2,-0.6 -0.649 6.3-150.2 -87.9 134.5 35.1 7.0 26.1 5 346 A V E -a 29 0A 23 -2,-0.3 44,-3.7 23,-0.2 45,-1.3 -0.958 19.0-155.6-101.2 110.6 33.9 3.5 27.3 6 347 A W E -ab 30 50A 3 23,-3.0 25,-2.0 -2,-0.6 2,-0.6 -0.404 8.3-134.7 -81.5 153.8 31.3 2.1 24.6 7 348 A a E -a 31 0A 2 43,-1.1 2,-0.5 23,-0.2 25,-0.2 -0.942 17.6-159.8-112.5 116.0 28.6 -0.5 25.6 8 349 A A E -a 32 0A 0 23,-3.5 25,-1.6 -2,-0.6 2,-0.8 -0.842 13.1-135.0 -96.0 142.5 28.3 -3.3 23.1 9 350 A V E -a 33 0A 11 -2,-0.5 4,-0.5 23,-0.2 169,-0.4 -0.811 68.3 -23.9 -96.3 100.9 25.1 -5.3 23.1 10 351 A G S > S- 0 0 3 23,-2.6 4,-1.9 -2,-0.8 3,-0.4 0.039 93.4 -63.0 81.9 168.8 25.8 -9.0 22.8 11 352 A P H > S+ 0 0 62 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.775 124.5 56.4 -68.0 -31.3 28.9 -10.7 21.4 12 353 A E H > S+ 0 0 70 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.917 112.1 44.8 -66.7 -39.8 28.9 -9.7 17.7 13 354 A E H > S+ 0 0 32 -4,-0.5 4,-3.0 -3,-0.4 -1,-0.2 0.873 109.6 56.0 -71.8 -40.3 28.9 -6.0 18.7 14 355 A Q H X S+ 0 0 63 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.939 105.8 51.9 -50.6 -45.4 31.6 -6.7 21.3 15 356 A K H X S+ 0 0 123 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.937 112.8 44.0 -64.7 -40.6 33.7 -8.1 18.5 16 357 A K H X S+ 0 0 17 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.908 112.2 54.0 -67.4 -36.3 33.2 -5.0 16.4 17 358 A b H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.973 103.6 55.1 -65.1 -45.9 33.8 -2.8 19.5 18 359 A Q H X S+ 0 0 95 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.806 108.3 50.2 -52.4 -34.5 37.2 -4.5 20.2 19 360 A Q H X S+ 0 0 89 -4,-1.2 4,-2.3 2,-0.2 5,-0.2 0.936 110.0 47.0 -71.0 -49.3 38.4 -3.7 16.8 20 361 A W H X S+ 0 0 1 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.883 111.4 54.5 -55.3 -40.7 37.4 -0.1 17.0 21 362 A S H <>S+ 0 0 11 -4,-2.7 5,-2.0 -5,-0.2 6,-0.4 0.962 109.2 46.6 -62.6 -52.7 39.2 -0.1 20.4 22 363 A Q H ><5S+ 0 0 132 -4,-2.8 3,-2.1 1,-0.2 4,-0.2 0.949 114.7 45.3 -38.0 -67.1 42.5 -1.5 18.8 23 364 A Q H 3<5S+ 0 0 68 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.609 109.2 56.2 -64.5 -24.0 42.5 1.0 15.9 24 365 A S T ><5S- 0 0 8 -4,-1.3 3,-0.7 -3,-0.3 -1,-0.3 0.361 112.0-117.5 -89.6 5.4 41.7 4.0 18.1 25 366 A G T < 5S- 0 0 54 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.935 72.3 -55.4 57.1 48.1 44.7 3.3 20.4 26 367 A Q T 3 S- 0 0 31 1,-0.1 4,-2.1 -27,-0.1 3,-0.4 -0.993 76.9-118.7-153.8 151.5 20.7 -6.4 26.4 36 377 A T H > S+ 0 0 9 140,-0.6 4,-2.0 -2,-0.3 3,-0.2 0.879 117.0 54.3 -49.6 -50.6 20.2 -2.8 25.6 37 378 A D H > S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.874 106.2 49.6 -50.0 -46.7 18.6 -2.3 29.1 38 379 A D H > S+ 0 0 83 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.862 110.2 53.1 -66.0 -29.0 21.7 -3.8 30.8 39 380 A a H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.930 106.4 51.4 -69.6 -38.9 23.8 -1.4 28.7 40 381 A I H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.881 111.2 48.1 -64.1 -38.6 21.6 1.6 29.9 41 382 A V H X S+ 0 0 37 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.910 106.7 55.5 -63.7 -46.2 22.2 0.5 33.5 42 383 A L H X>S+ 0 0 31 -4,-2.3 5,-1.5 1,-0.2 6,-1.3 0.782 109.4 50.5 -57.0 -28.4 26.0 0.2 32.9 43 384 A V H <5S+ 0 0 2 -4,-1.3 -1,-0.2 4,-0.2 -2,-0.2 0.861 109.7 47.5 -80.3 -36.1 25.7 3.8 31.7 44 385 A L H <5S+ 0 0 44 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.929 110.0 53.3 -67.8 -43.7 23.9 5.1 34.8 45 386 A K H <5S- 0 0 120 -4,-2.7 -1,-0.2 1,-0.1 -2,-0.2 0.775 116.4-115.1 -67.2 -24.2 26.3 3.3 37.2 46 387 A G T <5S+ 0 0 43 -4,-0.7 -3,-0.2 2,-0.3 -4,-0.1 0.420 85.3 113.5 103.9 5.5 29.2 5.0 35.5 47 388 A E S > - 0 0 4 -2,-0.3 4,-1.9 200,-0.3 3,-0.6 -0.487 42.7-100.2 -84.2 155.5 16.6 3.6 18.8 55 396 A G H 3> S+ 0 0 0 197,-0.6 4,-1.4 1,-0.2 -1,-0.1 0.857 120.6 56.8 -47.8 -37.5 13.8 6.0 19.7 56 397 A G H 3> S+ 0 0 1 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.944 110.9 41.5 -68.5 -41.7 12.0 3.5 21.8 57 398 A Y H <> S+ 0 0 14 -3,-0.6 4,-3.1 1,-0.2 -1,-0.2 0.776 104.5 65.4 -75.5 -21.2 14.9 2.8 24.1 58 399 A I H X S+ 0 0 1 -4,-1.9 4,-2.7 1,-0.3 -1,-0.2 0.876 99.3 56.0 -68.2 -35.1 15.9 6.6 24.3 59 400 A Y H X S+ 0 0 22 -4,-1.4 4,-1.1 -5,-0.3 -1,-0.3 0.906 110.0 43.5 -60.0 -41.9 12.5 7.0 26.0 60 401 A T H >X S+ 0 0 17 -4,-0.9 4,-1.1 1,-0.2 3,-1.0 0.993 115.7 48.5 -65.4 -55.4 13.7 4.4 28.6 61 402 A A H 3<>S+ 0 0 0 -4,-3.1 5,-2.1 1,-0.2 3,-0.3 0.822 109.3 54.7 -48.2 -39.9 17.1 6.0 28.8 62 403 A G H ><5S+ 0 0 9 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.723 100.2 55.2 -77.5 -24.4 15.6 9.5 29.3 63 404 A K H <<5S+ 0 0 66 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.772 105.9 56.1 -78.4 -23.0 13.4 8.8 32.3 64 405 A c T 3<5S- 0 0 21 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.221 129.1-100.8 -87.0 12.9 16.5 7.6 33.9 65 406 A G T < 5S+ 0 0 42 -3,-1.2 195,-0.8 1,-0.2 -3,-0.2 0.608 75.6 139.1 78.3 15.6 18.2 11.0 33.2 66 407 A L E < -D 259 0A 3 -5,-2.1 -1,-0.2 -6,-0.2 193,-0.2 -0.519 36.3-148.1 -91.1 165.1 20.3 10.1 30.1 67 408 A V E -D 258 0A 41 191,-2.3 191,-1.7 -2,-0.1 2,-0.2 -0.970 15.4-113.5-140.7 146.2 20.6 12.4 27.1 68 409 A P E +D 257 0A 11 0, 0.0 189,-0.2 0, 0.0 3,-0.1 -0.551 32.7 170.4 -74.5 145.1 21.0 12.3 23.4 69 410 A V E + 0 0 8 187,-2.4 241,-0.4 1,-0.5 2,-0.3 0.709 63.4 9.1-122.9 -57.2 24.3 13.7 22.2 70 411 A L E -D 256 0A 0 186,-0.6 186,-2.4 239,-0.1 -1,-0.5 -0.946 66.6-144.7-131.1 146.6 24.7 12.9 18.5 71 412 A A E -DE 255 308A 0 237,-2.0 237,-3.3 -2,-0.3 184,-0.2 -0.939 23.4-111.6-111.9 140.9 22.0 11.5 15.9 72 413 A E E - E 0 307A 11 182,-2.6 2,-0.4 -2,-0.4 235,-0.2 -0.460 35.0-165.2 -62.2 135.3 22.6 9.1 13.0 73 414 A N E - E 0 306A 4 233,-2.3 232,-1.9 -2,-0.2 233,-1.4 -0.984 1.8-156.4-120.4 141.7 22.0 10.9 9.6 74 415 A R - 0 0 56 -2,-0.4 2,-0.5 230,-0.2 230,-0.1 -0.674 40.7 -74.2-109.0 166.9 21.6 9.1 6.4 75 416 A K - 0 0 112 228,-0.5 2,-0.1 -2,-0.2 -1,-0.1 -0.497 58.5-165.4 -59.9 110.5 22.3 10.4 2.8 76 417 A S - 0 0 31 -2,-0.5 3,-0.1 1,-0.2 -1,-0.0 -0.448 24.3-144.6 -89.1 168.1 19.3 12.7 2.1 77 418 A S S S+ 0 0 109 -2,-0.1 3,-0.2 1,-0.1 -1,-0.2 0.850 88.8 47.3 -88.4 -70.2 18.1 14.2 -1.3 78 419 A K S S+ 0 0 126 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.354 101.9 46.2 -60.7 150.3 17.0 17.6 -0.1 79 420 A H + 0 0 68 -3,-0.1 3,-0.4 -2,-0.0 -1,-0.2 0.783 69.5 146.9 85.2 38.5 19.4 19.6 2.2 80 421 A S + 0 0 102 -3,-0.2 4,-0.1 1,-0.2 -2,-0.1 0.608 55.2 61.1 -90.2 -16.2 22.5 18.9 0.1 81 422 A S S S+ 0 0 122 2,-0.1 -1,-0.2 0, 0.0 2,-0.2 0.717 90.3 81.5 -85.2 -23.9 24.6 22.0 0.5 82 423 A L S S- 0 0 72 -3,-0.4 2,-0.1 1,-0.1 5,-0.1 -0.510 89.2-108.9 -76.4 147.6 25.0 21.6 4.2 83 424 A D >> - 0 0 120 -2,-0.2 3,-0.9 1,-0.1 4,-0.8 -0.486 30.6-111.5 -70.8 152.3 27.7 19.2 5.6 84 425 A d T 34 S+ 0 0 6 1,-0.2 3,-0.2 2,-0.2 222,-0.1 0.784 111.8 59.5 -50.1 -38.0 26.4 16.0 7.2 85 426 A V T 34 S+ 0 0 32 1,-0.2 224,-3.1 223,-0.2 -1,-0.2 0.776 117.5 30.0 -70.7 -23.6 27.4 16.9 10.8 86 427 A L T <4 S+ 0 0 118 -3,-0.9 -1,-0.2 222,-0.2 -2,-0.2 0.413 95.5 108.2-113.3 -7.6 25.3 20.1 10.9 87 428 A R S < S- 0 0 20 -4,-0.8 -7,-0.0 -3,-0.2 -8,-0.0 -0.552 78.0-107.1 -77.6 135.6 22.5 18.9 8.5 88 429 A P - 0 0 65 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.200 33.0-111.2 -60.7 158.5 19.2 18.2 10.2 89 430 A T - 0 0 45 221,-0.1 -16,-0.1 1,-0.1 -17,-0.0 -0.745 20.8-155.1 -91.0 138.3 18.1 14.5 10.6 90 431 A E - 0 0 71 -2,-0.4 -1,-0.1 -16,-0.1 -17,-0.1 0.684 29.9-126.7 -94.2 -15.5 15.2 13.5 8.5 91 432 A G - 0 0 8 163,-0.1 2,-0.2 159,-0.1 -1,-0.1 0.092 20.1-100.8 89.8 147.0 13.7 10.6 10.4 92 433 A Y E -F 251 0B 7 159,-1.8 159,-3.5 112,-0.0 2,-0.5 -0.693 29.6-112.2-104.9 165.3 13.0 7.1 9.1 93 434 A L E -F 250 0B 16 -2,-0.2 111,-1.8 157,-0.2 2,-0.5 -0.798 16.5-144.7 -99.0 132.6 9.7 5.6 8.0 94 435 A A E +FG 249 203B 2 155,-3.2 154,-2.3 -2,-0.5 155,-1.0 -0.817 31.7 174.7 -85.3 128.1 8.1 2.8 10.0 95 436 A V E - G 0 202B 1 107,-2.0 107,-1.2 -2,-0.5 2,-0.5 -0.856 31.5-132.8-128.6 166.3 6.4 0.4 7.4 96 437 A A E - G 0 201B 0 135,-0.5 135,-2.5 -2,-0.3 2,-0.3 -0.996 29.1-160.4-120.0 119.9 4.6 -3.0 7.6 97 438 A V E +HG 230 200B 0 103,-2.6 103,-1.8 -2,-0.5 2,-0.3 -0.834 12.6 177.3-111.2 141.3 5.8 -5.4 4.9 98 439 A V E -HG 229 199B 0 131,-2.2 131,-2.1 -2,-0.3 2,-0.3 -0.897 38.5 -95.8-132.7 158.8 4.1 -8.5 3.5 99 440 A K E > -H 228 0B 33 99,-0.6 3,-1.2 -2,-0.3 129,-0.2 -0.651 28.6-136.9 -75.6 137.2 4.8 -11.0 0.8 100 441 A K T 3 S+ 0 0 96 127,-3.0 -1,-0.1 -2,-0.3 128,-0.1 0.922 103.5 63.8 -60.6 -43.5 3.0 -10.1 -2.5 101 442 A A T 3 S+ 0 0 83 126,-0.4 2,-1.6 1,-0.2 -1,-0.3 0.679 84.4 82.4 -55.9 -15.8 2.1 -13.7 -3.0 102 443 A N S X S- 0 0 50 -3,-1.2 3,-1.6 96,-0.1 -1,-0.2 -0.445 75.2-174.5 -87.5 61.6 0.1 -13.3 0.2 103 444 A E T 3 + 0 0 163 -2,-1.6 3,-0.1 1,-0.2 -2,-0.1 -0.057 61.4 28.2 -59.5 156.7 -2.9 -11.7 -1.7 104 445 A G T 3 S+ 0 0 61 1,-0.2 2,-0.5 0, 0.0 -1,-0.2 0.348 81.5 125.0 77.2 -15.2 -5.7 -10.5 0.5 105 446 A L < + 0 0 4 -3,-1.6 2,-0.2 93,-0.1 -1,-0.2 -0.729 34.6 157.9 -78.8 122.6 -3.6 -9.7 3.6 106 447 A T > - 0 0 30 -2,-0.5 3,-1.2 -3,-0.1 130,-0.1 -0.751 60.8 -88.7-130.1-179.0 -4.2 -6.0 4.6 107 448 A W G > S+ 0 0 11 125,-0.5 3,-0.8 129,-0.4 4,-0.1 0.870 126.1 57.8 -59.7 -34.0 -4.0 -3.8 7.7 108 449 A N G 3 S+ 0 0 117 1,-0.2 -1,-0.2 127,-0.1 3,-0.1 0.510 108.3 42.6 -71.5 -8.0 -7.6 -4.8 8.4 109 450 A S G < S+ 0 0 45 -3,-1.2 -1,-0.2 1,-0.1 -2,-0.1 -0.041 73.3 111.3-133.6 36.2 -6.9 -8.6 8.5 110 451 A L X + 0 0 2 -3,-0.8 3,-2.0 -5,-0.1 2,-0.1 0.629 47.6 115.0 -79.8 -18.6 -3.7 -8.9 10.5 111 452 A K T 3 S+ 0 0 101 1,-0.3 35,-0.2 -4,-0.1 3,-0.1 -0.324 87.0 5.6 -64.2 129.5 -5.5 -10.5 13.4 112 453 A D T 3 S+ 0 0 91 33,-2.5 -1,-0.3 1,-0.2 34,-0.2 0.455 103.2 122.0 73.3 1.9 -4.4 -14.1 14.0 113 454 A K S < S- 0 0 70 -3,-2.0 34,-1.9 32,-0.2 35,-0.8 -0.142 71.0 -95.9 -78.3-179.5 -1.7 -13.8 11.4 114 455 A K E -i 148 0B 65 32,-0.2 84,-3.4 33,-0.2 85,-1.4 -0.925 40.4-153.6-111.2 129.6 2.0 -14.3 12.2 115 456 A S E -ij 149 199B 0 33,-2.1 35,-2.0 -2,-0.5 2,-0.5 -0.876 16.4-159.3-118.7 143.3 4.3 -11.4 13.0 116 457 A e E -ij 150 200B 0 83,-3.0 85,-2.2 -2,-0.4 2,-0.3 -0.956 20.2-176.6-110.4 115.7 8.0 -10.5 12.9 117 458 A H E - 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