==== 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 12-AUG-06 2DWH . COMPND 2 MOLECULE: LACTOTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.MIR,A.S.ETHAYATHULLA,N.SINGH,S.SHARMA,A.BHUSHAN,P.KAUR,T.P . 340 2 10 9 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 66.5 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 . 18 5.3 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 . 78 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.4 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 1 2 1 0 1 0 1 0 1 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 0 253 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.4 39.9 11.1 31.0 2 343 A T + 0 0 94 2,-0.0 2,-0.4 267,-0.0 0, 0.0 0.054 360.0 98.9-113.0 21.8 40.0 11.5 27.2 3 344 A R - 0 0 109 25,-0.0 2,-0.4 2,-0.0 25,-0.2 -0.893 60.3-149.6-114.4 140.3 38.8 7.9 26.9 4 345 A V E -a 28 0A 2 23,-2.1 25,-2.7 -2,-0.4 2,-0.7 -0.913 4.4-148.8-113.7 133.5 35.3 6.6 26.2 5 346 A V E -a 29 0A 23 -2,-0.4 44,-3.5 23,-0.2 45,-1.3 -0.881 19.7-159.7-102.3 109.9 33.8 3.3 27.3 6 347 A W E -ab 30 50A 2 23,-3.2 25,-2.4 -2,-0.7 2,-0.6 -0.603 11.1-132.5 -89.0 146.7 31.2 2.1 24.8 7 348 A a E -a 31 0A 2 43,-2.0 2,-0.3 -2,-0.2 25,-0.2 -0.889 19.2-163.7-106.8 118.9 28.6 -0.5 25.6 8 349 A A E -a 32 0A 0 23,-3.2 25,-1.9 -2,-0.6 2,-0.7 -0.739 11.6-141.5 -97.8 144.9 28.1 -3.4 23.2 9 350 A V E -a 33 0A 10 -2,-0.3 169,-0.4 23,-0.2 4,-0.4 -0.917 66.1 -12.6-110.0 108.2 25.0 -5.5 23.2 10 351 A G S > S- 0 0 1 23,-2.9 4,-1.4 -2,-0.7 3,-0.2 0.067 89.4 -70.4 88.6 160.8 25.7 -9.2 22.6 11 352 A P H > S+ 0 0 62 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.791 125.8 52.9 -56.9 -40.4 28.8 -11.1 21.4 12 353 A E H > S+ 0 0 76 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.910 111.3 47.2 -68.3 -38.3 28.8 -10.0 17.8 13 354 A E H > S+ 0 0 34 -4,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.787 107.6 56.3 -71.5 -29.1 28.7 -6.3 18.8 14 355 A Q H X S+ 0 0 65 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.822 104.5 54.4 -71.0 -31.2 31.5 -6.8 21.3 15 356 A K H X S+ 0 0 118 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.942 108.9 46.0 -67.0 -48.8 33.7 -8.2 18.5 16 357 A K H X S+ 0 0 10 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.829 113.9 50.4 -63.9 -32.0 33.2 -5.1 16.3 17 358 A b H X S+ 0 0 0 -4,-1.5 4,-3.4 2,-0.2 5,-0.2 0.933 105.7 53.6 -71.6 -46.1 33.9 -2.9 19.3 18 359 A Q H X S+ 0 0 106 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.904 110.3 49.6 -55.4 -39.6 37.1 -4.6 20.3 19 360 A Q H X S+ 0 0 92 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.923 111.5 47.8 -63.6 -45.2 38.3 -4.0 16.8 20 361 A W H X S+ 0 0 0 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.894 111.4 50.7 -62.1 -42.1 37.3 -0.4 17.0 21 362 A S H ><>S+ 0 0 11 -4,-3.4 5,-1.9 1,-0.2 3,-0.6 0.927 110.0 50.7 -62.0 -45.7 39.0 -0.0 20.4 22 363 A Q H ><5S+ 0 0 138 -4,-2.5 3,-1.1 -5,-0.2 -2,-0.2 0.913 110.0 48.2 -58.3 -47.5 42.2 -1.6 19.0 23 364 A Q H 3<5S+ 0 0 62 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.657 109.9 54.2 -70.1 -15.8 42.3 0.7 16.0 24 365 A S T X<5S- 0 0 11 -4,-1.0 3,-0.8 -3,-0.6 -1,-0.2 0.479 108.6-121.4 -96.6 -3.5 41.8 3.8 18.2 25 366 A G T < 5S- 0 0 53 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.897 73.9 -51.1 64.7 40.8 44.7 3.0 20.5 26 367 A Q T 3 S- 0 0 28 -27,-0.1 4,-1.9 1,-0.1 3,-0.5 -0.975 77.7-115.4-142.6 158.2 20.6 -6.6 26.5 36 377 A T H > S+ 0 0 9 140,-0.5 4,-1.9 -2,-0.3 5,-0.2 0.879 114.3 56.1 -57.1 -42.4 20.1 -2.9 25.8 37 378 A D H > S+ 0 0 54 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.852 106.5 50.9 -60.8 -34.4 18.6 -2.3 29.2 38 379 A D H > S+ 0 0 79 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.908 106.8 54.0 -70.1 -37.8 21.6 -3.7 30.9 39 380 A a H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.869 107.5 51.2 -61.1 -35.2 23.8 -1.4 28.8 40 381 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.851 107.6 52.6 -70.2 -34.8 21.7 1.5 30.0 41 382 A V H X S+ 0 0 40 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.890 107.2 52.1 -66.8 -39.4 22.2 0.4 33.6 42 383 A L H X>S+ 0 0 29 -4,-2.2 5,-1.6 2,-0.2 4,-1.4 0.897 110.0 48.8 -62.3 -41.0 26.0 0.3 33.1 43 384 A V H <5S+ 0 0 1 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.895 111.4 49.2 -66.5 -40.4 25.9 3.8 31.7 44 385 A L H <5S+ 0 0 47 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.891 110.9 51.0 -64.7 -38.8 23.8 5.0 34.7 45 386 A K H <5S- 0 0 118 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.770 115.0-120.3 -69.0 -26.2 26.3 3.2 37.0 46 387 A G T <5S+ 0 0 41 -4,-1.4 -3,-0.2 2,-0.3 -4,-0.1 0.366 85.1 113.1 100.7 -1.6 29.1 5.0 35.3 47 388 A E S > - 0 0 5 -2,-0.3 4,-1.5 200,-0.2 3,-1.2 -0.356 46.0-101.9 -70.4 155.8 16.7 3.3 18.7 55 396 A G H 3> S+ 0 0 0 197,-0.6 4,-1.4 1,-0.3 -1,-0.1 0.796 119.6 62.1 -50.5 -34.0 14.1 5.9 19.7 56 397 A G H 3> S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.866 105.9 43.6 -62.2 -38.7 12.3 3.4 21.9 57 398 A Y H <> S+ 0 0 12 -3,-1.2 4,-3.0 1,-0.2 -1,-0.2 0.776 105.0 63.6 -79.0 -26.0 15.2 2.9 24.2 58 399 A I H X S+ 0 0 2 -4,-1.5 4,-3.3 2,-0.2 -1,-0.2 0.861 98.6 56.3 -63.7 -37.2 15.9 6.7 24.3 59 400 A Y H X S+ 0 0 22 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.964 111.3 43.6 -57.3 -53.0 12.4 7.1 26.0 60 401 A T H >X S+ 0 0 19 -4,-1.1 4,-1.0 1,-0.2 3,-0.6 0.963 116.9 44.1 -56.0 -59.9 13.5 4.7 28.7 61 402 A A H ><>S+ 0 0 1 -4,-3.0 5,-1.9 1,-0.2 3,-1.3 0.911 107.1 62.1 -54.4 -45.9 17.0 6.1 29.2 62 403 A G H ><5S+ 0 0 9 -4,-3.3 3,-1.6 1,-0.3 -1,-0.2 0.857 100.8 51.3 -48.6 -44.3 15.6 9.7 29.1 63 404 A K H <<5S+ 0 0 78 -4,-1.6 -1,-0.3 -3,-0.6 -2,-0.2 0.777 107.2 56.1 -65.1 -26.3 13.5 9.0 32.2 64 405 A c T <<5S- 0 0 16 -3,-1.3 -1,-0.3 -4,-1.0 -2,-0.2 0.117 127.2 -99.4 -93.0 20.4 16.7 7.7 33.8 65 406 A G T < 5S+ 0 0 42 -3,-1.6 195,-0.6 1,-0.2 -3,-0.2 0.387 77.9 136.4 82.2 -4.1 18.4 11.0 33.1 66 407 A L E < -D 259 0A 3 -5,-1.9 250,-0.3 193,-0.2 -1,-0.2 -0.295 37.5-151.7 -72.5 166.0 20.4 10.0 30.1 67 408 A V E -D 258 0A 40 191,-2.8 191,-1.9 248,-0.1 2,-0.2 -0.985 17.6-106.6-142.6 150.1 20.5 12.4 27.1 68 409 A P E +D 257 0A 12 0, 0.0 189,-0.2 0, 0.0 3,-0.1 -0.497 33.4 173.1 -73.3 144.1 20.9 12.3 23.3 69 410 A V E - 0 0 5 187,-3.0 241,-0.5 1,-0.5 2,-0.3 0.745 61.9 -5.1-115.2 -54.1 24.3 13.4 22.1 70 411 A L E -D 256 0A 0 186,-0.7 186,-2.6 239,-0.1 -1,-0.5 -0.959 63.9-142.7-143.1 156.1 24.6 12.8 18.4 71 412 A A E -DE 255 308A 0 237,-1.9 237,-3.7 -2,-0.3 184,-0.2 -0.845 22.2-106.2-123.0 159.1 22.3 11.2 15.9 72 413 A E E - E 0 307A 11 182,-2.1 2,-0.4 -2,-0.3 235,-0.2 -0.555 31.4-163.0 -80.1 149.8 22.8 9.0 12.8 73 414 A N E - E 0 306A 4 233,-1.8 232,-2.9 -2,-0.2 233,-1.5 -0.989 1.5-161.8-137.5 123.3 22.2 10.6 9.4 74 415 A R - 0 0 52 -2,-0.4 2,-0.3 230,-0.2 16,-0.1 -0.529 41.8 -77.1 -95.8 170.1 21.6 8.6 6.2 75 416 A K + 0 0 120 228,-0.3 2,-0.3 -2,-0.2 -1,-0.1 -0.510 53.8 178.4 -74.3 130.2 22.0 10.2 2.7 76 417 A S - 0 0 33 -2,-0.3 -3,-0.0 3,-0.1 -1,-0.0 -0.870 32.2-138.0-127.3 161.6 19.2 12.4 1.5 77 418 A S S S+ 0 0 117 -2,-0.3 3,-0.3 3,-0.0 2,-0.2 0.796 85.6 67.7 -89.4 -32.4 18.5 14.4 -1.6 78 419 A K S S+ 0 0 146 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 -0.584 95.9 35.5 -86.7 154.1 17.1 17.5 -0.0 79 420 A H S S+ 0 0 63 -2,-0.2 -1,-0.2 8,-0.0 -3,-0.1 0.966 74.7 152.4 66.4 52.7 19.3 19.7 2.1 80 421 A S + 0 0 98 -3,-0.3 -2,-0.1 1,-0.2 7,-0.1 0.933 56.0 63.6 -79.6 -50.9 22.3 19.0 -0.2 81 422 A S S S+ 0 0 116 2,-0.0 2,-0.2 0, 0.0 -1,-0.2 0.760 91.4 82.9 -45.1 -34.9 24.4 22.2 0.3 82 423 A L S S- 0 0 72 1,-0.1 5,-0.1 2,-0.1 0, 0.0 -0.484 83.4-112.4 -82.5 146.2 24.9 21.4 4.0 83 424 A D > - 0 0 115 -2,-0.2 4,-1.1 1,-0.1 -1,-0.1 -0.085 29.2-113.1 -63.6 169.9 27.6 19.0 5.5 84 425 A d T 4 S+ 0 0 9 2,-0.2 222,-0.1 1,-0.2 -1,-0.1 0.904 111.9 53.6 -75.6 -42.5 26.4 15.8 7.2 85 426 A V T 4 S+ 0 0 32 1,-0.2 224,-3.3 223,-0.2 -1,-0.2 0.722 119.5 34.9 -65.9 -22.4 27.5 16.6 10.8 86 427 A L T 4 S+ 0 0 117 222,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.612 95.0 105.6-104.9 -18.6 25.5 19.9 10.6 87 428 A R S < S- 0 0 19 -4,-1.1 2,-0.1 1,-0.1 -8,-0.0 -0.329 77.6-103.8 -67.3 143.1 22.5 18.8 8.5 88 429 A P - 0 0 67 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.351 33.0-117.1 -67.2 145.1 19.1 18.1 10.1 89 430 A T - 0 0 50 221,-0.1 -16,-0.1 1,-0.1 -17,-0.0 -0.682 19.3-161.5 -84.9 134.0 18.0 14.5 10.6 90 431 A E - 0 0 92 -2,-0.4 -1,-0.1 1,-0.2 -17,-0.1 0.694 27.2-137.7 -89.2 -19.8 14.9 13.5 8.6 91 432 A G - 0 0 8 163,-0.1 2,-0.3 159,-0.1 -1,-0.2 -0.196 22.5 -92.5 84.1 175.1 13.9 10.3 10.6 92 433 A Y E -F 251 0B 6 159,-2.2 159,-3.6 -2,-0.0 2,-0.6 -0.860 26.2-103.5-131.2 166.2 12.8 7.1 8.9 93 434 A L E -F 250 0B 21 -2,-0.3 111,-2.4 157,-0.2 2,-0.5 -0.755 22.2-151.6 -94.1 117.5 9.6 5.4 7.8 94 435 A A E +FG 249 203B 1 155,-2.8 154,-2.3 -2,-0.6 155,-1.2 -0.743 29.1 176.5 -83.5 127.8 8.2 2.5 9.9 95 436 A V E - G 0 202B 2 107,-1.9 107,-1.0 -2,-0.5 2,-0.5 -0.836 32.7-128.7-129.1 168.0 6.4 0.2 7.6 96 437 A A E - G 0 201B 1 135,-0.3 135,-2.3 -2,-0.3 2,-0.3 -0.986 32.4-163.0-117.1 121.6 4.5 -3.1 7.7 97 438 A V E +HG 230 200B 0 103,-2.7 103,-1.6 -2,-0.5 2,-0.3 -0.728 12.8 173.2-110.0 158.0 5.7 -5.5 5.1 98 439 A V E -HG 229 199B 0 131,-1.8 131,-2.0 -2,-0.3 2,-0.3 -0.952 39.6 -91.8-151.5 167.0 4.2 -8.7 3.6 99 440 A K E > -H 228 0B 27 99,-0.5 3,-0.8 -2,-0.3 129,-0.3 -0.650 30.2-137.0 -82.4 143.0 4.9 -11.2 0.8 100 441 A K T 3 S+ 0 0 84 127,-2.7 128,-0.1 -2,-0.3 -1,-0.1 0.854 103.5 64.0 -69.0 -34.7 3.0 -10.3 -2.4 101 442 A A T 3 S+ 0 0 84 126,-0.4 2,-2.0 1,-0.2 -1,-0.2 0.681 82.3 85.1 -62.0 -17.1 2.0 -13.9 -2.9 102 443 A N S X S- 0 0 53 -3,-0.8 3,-1.4 96,-0.1 -1,-0.2 -0.500 73.9-173.0 -85.9 69.0 0.0 -13.5 0.4 103 444 A E T 3 + 0 0 163 -2,-2.0 3,-0.1 1,-0.2 -2,-0.1 -0.256 63.1 26.8 -61.2 149.4 -3.0 -12.0 -1.5 104 445 A G T 3 S+ 0 0 59 1,-0.2 2,-0.8 0, 0.0 -1,-0.2 0.363 82.4 131.0 80.0 -7.7 -5.7 -10.6 0.7 105 446 A L < + 0 0 6 -3,-1.4 2,-0.3 -6,-0.2 -1,-0.2 -0.718 31.1 157.1 -83.0 113.1 -3.5 -9.8 3.6 106 447 A T > - 0 0 30 -2,-0.8 3,-1.8 -3,-0.1 130,-0.1 -0.862 60.0 -94.7-131.3 167.8 -4.3 -6.3 4.6 107 448 A W T 3 S+ 0 0 10 125,-0.4 3,-0.4 129,-0.3 4,-0.1 0.672 125.8 52.9 -54.9 -17.6 -3.9 -4.1 7.8 108 449 A N T 3 S+ 0 0 121 1,-0.2 3,-0.3 127,-0.2 -1,-0.3 0.669 107.6 48.9 -93.1 -19.7 -7.5 -5.1 8.6 109 450 A S S < S+ 0 0 42 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.1 -0.311 79.2 104.3-113.5 48.6 -7.0 -8.8 8.3 110 451 A L > + 0 0 2 -3,-0.4 3,-2.3 -5,-0.1 -1,-0.2 0.707 44.6 110.5 -98.5 -23.4 -3.9 -9.0 10.5 111 452 A K T 3 S+ 0 0 111 -3,-0.3 35,-0.2 1,-0.3 3,-0.1 -0.267 89.8 10.4 -55.7 132.9 -5.5 -10.5 13.6 112 453 A D T 3 S+ 0 0 86 33,-1.9 -1,-0.3 1,-0.2 34,-0.2 0.490 101.5 117.6 75.6 4.1 -4.3 -14.1 14.1 113 454 A K S < S- 0 0 66 -3,-2.3 34,-1.4 32,-0.1 35,-0.7 -0.242 75.1 -91.3 -86.8-174.6 -1.6 -13.9 11.4 114 455 A K E -i 148 0B 65 32,-0.2 84,-2.5 33,-0.1 85,-2.4 -0.898 42.0-159.5-108.0 122.3 2.1 -14.4 12.2 115 456 A S E -ij 149 199B 0 33,-1.2 35,-1.3 -2,-0.6 2,-0.5 -0.741 11.9-156.3-105.1 149.2 4.1 -11.3 13.1 116 457 A e E -ij 150 200B 0 83,-2.7 85,-2.6 -2,-0.3 2,-0.3 -0.974 17.8-174.8-121.8 114.0 7.9 -10.5 13.0 117 458 A H E - 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