==== 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 30-AUG-06 2DXR . COMPND 2 MOLECULE: LACTOTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.MIR,R.PREM KUMAR,M.SINHA,N.SINGH,S.SHARMA,A.BHUSHAN,P.KAUR . 341 2 10 9 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 67.2 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 . 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 . 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 . 78 22.9 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 3 1 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 0 242 0, 0.0 2,-1.6 0, 0.0 264,-0.0 0.000 360.0 360.0 360.0 -45.5 38.7 13.5 30.5 2 343 A T + 0 0 71 2,-0.0 2,-0.5 1,-0.0 0, 0.0 0.068 360.0 95.3 35.5 2.1 39.2 12.1 27.0 3 344 A R - 0 0 139 -2,-1.6 2,-0.4 25,-0.0 25,-0.2 -0.947 54.7-157.8-122.2 118.7 38.6 8.2 27.1 4 345 A V E -a 28 0A 0 23,-2.0 25,-2.6 -2,-0.5 2,-0.6 -0.743 5.9-150.9 -96.6 132.9 35.1 7.0 26.1 5 346 A V E -a 29 0A 22 -2,-0.4 44,-3.4 23,-0.2 45,-1.3 -0.927 16.8-157.0-102.0 120.1 33.7 3.5 27.2 6 347 A W E -ab 30 50A 2 23,-4.2 25,-2.8 -2,-0.6 2,-0.6 -0.755 7.5-137.7-101.5 142.7 31.2 2.2 24.7 7 348 A a E -a 31 0A 1 43,-1.8 2,-0.4 -2,-0.3 25,-0.2 -0.885 16.5-162.1-106.9 123.5 28.6 -0.4 25.6 8 349 A A E -a 32 0A 0 23,-2.8 25,-2.1 -2,-0.6 2,-0.9 -0.854 14.7-135.5-106.6 139.3 27.9 -3.2 23.2 9 350 A V E -a 33 0A 10 -2,-0.4 4,-0.5 23,-0.2 169,-0.5 -0.829 69.1 -22.0 -95.7 102.3 24.8 -5.4 23.2 10 351 A G S > S- 0 0 2 23,-2.3 4,-1.7 -2,-0.9 3,-0.2 0.029 91.3 -60.5 88.7 168.3 25.8 -9.0 22.8 11 352 A P H > S+ 0 0 63 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.719 125.8 52.1 -56.7 -35.8 28.8 -10.9 21.4 12 353 A E H > S+ 0 0 71 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.893 111.7 44.9 -77.2 -39.8 28.8 -9.7 17.8 13 354 A E H > S+ 0 0 36 -4,-0.5 4,-1.4 -3,-0.2 -1,-0.2 0.830 109.6 59.1 -69.8 -34.9 28.7 -6.0 18.7 14 355 A Q H X S+ 0 0 65 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.905 104.0 50.2 -57.1 -41.0 31.4 -6.7 21.3 15 356 A K H X S+ 0 0 122 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.919 110.8 46.8 -71.4 -37.9 33.8 -8.0 18.6 16 357 A K H X S+ 0 0 13 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.805 112.4 52.8 -66.8 -26.9 33.3 -4.9 16.3 17 358 A b H X S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.918 104.8 53.4 -76.6 -42.9 33.8 -2.7 19.4 18 359 A Q H X S+ 0 0 102 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.921 110.6 49.1 -53.4 -45.1 37.1 -4.5 20.3 19 360 A Q H X S+ 0 0 94 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.916 110.4 48.4 -61.7 -47.3 38.2 -3.7 16.7 20 361 A W H X S+ 0 0 0 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.889 112.2 51.8 -58.9 -40.5 37.2 -0.1 16.9 21 362 A S H ><>S+ 0 0 14 -4,-2.9 5,-1.7 2,-0.2 3,-0.6 0.920 108.2 50.3 -62.5 -48.9 39.0 0.0 20.2 22 363 A Q H ><5S+ 0 0 143 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.934 112.1 46.0 -48.5 -58.8 42.2 -1.5 18.7 23 364 A Q H 3<5S+ 0 0 65 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.518 109.5 56.5 -67.5 -11.2 42.4 1.0 15.8 24 365 A S T X<5S- 0 0 11 -3,-0.6 3,-0.5 -4,-0.6 -1,-0.3 0.460 108.6-121.5-100.1 -2.2 41.7 3.9 18.1 25 366 A G T < 5S- 0 0 51 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.959 74.0 -50.4 57.9 53.2 44.7 3.2 20.3 26 367 A Q T 3 S- 0 0 31 -27,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.992 77.6-111.4-155.4 161.4 20.6 -6.4 26.4 36 377 A T H > S+ 0 0 8 140,-0.5 4,-1.7 -2,-0.3 5,-0.1 0.917 116.4 54.8 -59.9 -44.8 20.0 -2.8 25.6 37 378 A D H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.886 106.0 50.6 -55.4 -46.5 18.4 -2.2 29.0 38 379 A D H > S+ 0 0 82 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.872 107.1 55.2 -62.1 -38.5 21.5 -3.6 30.8 39 380 A a H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.889 107.0 50.7 -60.0 -37.5 23.7 -1.3 28.7 40 381 A I H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.910 108.6 51.2 -68.6 -42.6 21.6 1.7 30.0 41 382 A V H X S+ 0 0 37 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.930 107.6 53.6 -52.4 -50.1 22.0 0.6 33.6 42 383 A L H X>S+ 0 0 30 -4,-2.5 5,-1.7 1,-0.2 4,-1.6 0.892 108.3 50.4 -55.5 -39.7 25.8 0.4 33.0 43 384 A V H <5S+ 0 0 2 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.907 110.3 48.3 -68.2 -42.3 25.7 4.0 31.7 44 385 A L H <5S+ 0 0 46 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.961 109.9 53.3 -56.4 -49.8 23.8 5.2 34.7 45 386 A K H <5S- 0 0 120 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.800 115.0-118.4 -58.1 -33.0 26.2 3.4 37.0 46 387 A G T <5S+ 0 0 45 -4,-1.6 -3,-0.2 2,-0.3 -1,-0.1 0.418 84.7 114.8 106.6 4.1 29.1 5.1 35.3 47 388 A E S > - 0 0 4 -2,-0.4 4,-1.5 200,-0.3 3,-1.5 -0.395 45.6-102.8 -59.8 148.4 16.6 3.5 18.7 55 396 A G H 3> S+ 0 0 0 197,-0.6 4,-1.7 1,-0.3 5,-0.1 0.833 118.6 65.3 -45.6 -42.3 14.0 6.1 19.7 56 397 A G H 3> S+ 0 0 0 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.837 107.5 38.9 -52.3 -38.6 12.1 3.5 21.7 57 398 A Y H <> S+ 0 0 13 -3,-1.5 4,-3.5 2,-0.2 5,-0.3 0.757 104.8 67.1 -85.8 -27.2 14.9 3.1 24.2 58 399 A I H X S+ 0 0 2 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.883 99.4 53.8 -60.9 -35.0 15.8 6.8 24.2 59 400 A Y H X S+ 0 0 18 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.955 111.9 43.7 -63.0 -49.1 12.4 7.2 25.9 60 401 A T H X S+ 0 0 15 -4,-1.0 4,-0.6 1,-0.2 281,-0.3 0.968 117.6 43.9 -53.6 -60.8 13.4 4.7 28.6 61 402 A A H ><>S+ 0 0 1 -4,-3.5 5,-2.0 1,-0.2 3,-0.7 0.801 109.2 60.5 -56.0 -33.0 16.9 6.1 29.0 62 403 A G H ><5S+ 0 0 8 -4,-2.2 3,-2.6 -5,-0.3 -1,-0.2 0.941 97.4 54.6 -66.6 -50.4 15.5 9.6 29.0 63 404 A K H 3<5S+ 0 0 68 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.693 107.7 56.0 -52.8 -19.7 13.3 9.1 32.0 64 405 A c T <<5S- 0 0 20 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.364 125.9 -97.0 -99.5 4.1 16.5 8.0 33.7 65 406 A G T < 5S+ 0 0 39 -3,-2.6 195,-0.8 1,-0.3 -3,-0.2 0.419 77.3 137.0 98.8 -0.3 18.5 11.2 33.0 66 407 A L E < -D 259 0A 4 -5,-2.0 -1,-0.3 193,-0.2 193,-0.2 -0.473 38.3-151.6 -76.8 152.4 20.4 10.2 29.9 67 408 A V E -D 258 0A 40 191,-3.3 191,-1.2 -2,-0.1 2,-0.1 -0.964 17.1-111.8-130.7 144.1 20.6 12.7 27.1 68 409 A P E +D 257 0A 10 0, 0.0 189,-0.2 0, 0.0 3,-0.1 -0.470 33.3 174.9 -69.1 146.4 20.9 12.4 23.3 69 410 A V E - 0 0 6 187,-2.7 241,-0.5 1,-0.6 2,-0.3 0.743 61.8 -3.5-118.9 -60.5 24.3 13.7 22.0 70 411 A L E -D 256 0A 0 186,-0.7 186,-2.8 239,-0.1 -1,-0.6 -0.947 66.6-141.0-139.0 155.8 24.5 13.1 18.3 71 412 A A E -DE 255 308A 0 237,-2.1 237,-4.0 -2,-0.3 2,-0.3 -0.850 23.5-102.4-121.1 153.5 22.1 11.4 15.9 72 413 A E E - E 0 307A 9 182,-2.6 2,-0.4 -2,-0.3 235,-0.2 -0.583 34.9-166.2 -69.0 131.9 22.5 9.1 12.9 73 414 A N E - E 0 306A 3 233,-2.7 232,-2.8 -2,-0.3 233,-1.6 -0.993 2.1-160.7-121.8 128.0 22.1 10.9 9.5 74 415 A R - 0 0 58 -2,-0.4 2,-0.3 230,-0.3 230,-0.1 -0.739 41.7 -79.8-101.6 157.7 21.6 8.9 6.3 75 416 A K - 0 0 111 228,-0.3 2,-0.2 -2,-0.3 -1,-0.1 -0.372 55.0-172.7 -63.1 117.0 22.3 10.4 2.9 76 417 A S - 0 0 31 -2,-0.3 -1,-0.0 3,-0.2 3,-0.0 -0.618 29.8-136.9-106.7 167.5 19.3 12.6 1.8 77 418 A S S S+ 0 0 111 -2,-0.2 2,-0.2 3,-0.0 3,-0.2 0.878 88.9 59.2 -87.3 -46.3 18.5 14.3 -1.5 78 419 A K S S+ 0 0 130 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 -0.579 97.3 39.4 -85.9 152.3 17.2 17.6 0.1 79 420 A H S S+ 0 0 51 -2,-0.2 -1,-0.2 8,-0.0 -3,-0.2 0.923 71.0 147.9 69.4 50.8 19.5 19.7 2.3 80 421 A S + 0 0 99 -3,-0.2 -2,-0.1 1,-0.1 4,-0.1 0.751 58.3 65.8 -86.8 -27.7 22.4 18.9 -0.1 81 422 A S S S+ 0 0 111 2,-0.1 -1,-0.1 0, 0.0 2,-0.1 0.886 91.8 74.9 -60.1 -40.4 24.1 22.3 0.5 82 423 A L S S- 0 0 79 1,-0.1 2,-0.1 2,-0.1 5,-0.1 -0.416 88.3-107.9 -82.3 148.7 24.8 21.6 4.2 83 424 A D >> - 0 0 120 -2,-0.1 4,-1.8 1,-0.1 3,-1.2 -0.431 31.6-112.4 -74.6 149.2 27.5 19.2 5.6 84 425 A d T 34 S+ 0 0 7 1,-0.3 3,-0.2 2,-0.2 222,-0.1 0.843 113.8 55.0 -51.1 -41.3 26.3 16.0 7.1 85 426 A V T 34 S+ 0 0 31 1,-0.2 224,-2.3 223,-0.1 -1,-0.3 0.807 118.2 32.7 -67.4 -30.6 27.4 16.9 10.6 86 427 A L T <4 S+ 0 0 120 -3,-1.2 -1,-0.2 222,-0.2 -2,-0.2 0.572 95.3 111.0 -99.0 -13.5 25.3 20.2 10.7 87 428 A R S < S- 0 0 16 -4,-1.8 -8,-0.0 -3,-0.2 -7,-0.0 -0.408 75.6-108.1 -67.9 133.4 22.5 18.9 8.4 88 429 A P - 0 0 63 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.312 34.4-111.6 -61.9 143.5 19.1 18.4 10.1 89 430 A T - 0 0 52 221,-0.1 -16,-0.1 1,-0.1 -17,-0.0 -0.512 20.6-159.7 -75.3 143.5 17.9 14.7 10.6 90 431 A E - 0 0 93 -2,-0.2 -1,-0.1 -16,-0.1 -17,-0.1 0.662 26.7-136.7-100.2 -16.8 15.0 13.5 8.6 91 432 A G - 0 0 8 159,-0.1 2,-0.3 163,-0.1 -1,-0.1 -0.003 22.7 -95.5 76.4 167.9 13.8 10.5 10.6 92 433 A Y E -F 251 0B 4 159,-2.6 159,-3.6 112,-0.0 2,-0.7 -0.797 27.4-104.0-124.6 167.3 12.8 7.3 9.0 93 434 A L E -F 250 0B 21 -2,-0.3 111,-1.7 157,-0.2 2,-0.3 -0.777 22.2-148.9 -94.5 115.1 9.6 5.6 7.8 94 435 A A E +FG 249 203B 1 155,-3.0 154,-1.6 -2,-0.7 155,-0.9 -0.643 31.2 174.3 -69.4 134.8 8.1 2.9 10.0 95 436 A V E - G 0 202B 1 107,-2.8 107,-1.5 -2,-0.3 2,-0.5 -0.967 32.8-132.6-139.0 162.9 6.3 0.4 7.6 96 437 A A E -HG 231 201B 0 135,-0.5 135,-2.4 -2,-0.3 2,-0.3 -0.977 29.9-162.4-113.0 127.4 4.6 -2.9 7.7 97 438 A V E +HG 230 200B 0 103,-3.5 103,-2.2 -2,-0.5 2,-0.3 -0.816 13.2 170.1-116.8 150.5 5.7 -5.3 5.0 98 439 A V E -HG 229 199B 0 131,-2.1 131,-2.1 -2,-0.3 2,-0.3 -0.923 40.3 -86.1-144.8 167.7 4.2 -8.5 3.6 99 440 A K E > -H 228 0B 27 99,-0.5 3,-0.8 -2,-0.3 129,-0.2 -0.650 27.1-141.1 -74.8 132.9 4.6 -11.1 0.7 100 441 A K T 3 S+ 0 0 93 127,-2.4 -1,-0.1 -2,-0.3 5,-0.1 0.910 104.9 59.6 -59.0 -42.3 2.9 -10.1 -2.5 101 442 A A T 3 S+ 0 0 81 126,-0.4 2,-2.2 1,-0.2 -1,-0.2 0.760 86.2 80.5 -56.8 -25.8 1.9 -13.7 -3.0 102 443 A N S X S- 0 0 52 -3,-0.8 3,-1.1 96,-0.1 -1,-0.2 -0.475 79.0-173.3 -82.7 68.7 0.1 -13.5 0.4 103 444 A E T 3 + 0 0 159 -2,-2.2 3,-0.1 1,-0.2 -2,-0.1 -0.173 58.8 28.3 -66.0 155.6 -2.9 -11.8 -1.4 104 445 A G T 3 S+ 0 0 63 1,-0.2 2,-0.9 0, 0.0 -1,-0.2 0.534 83.4 131.4 68.9 4.1 -5.8 -10.4 0.5 105 446 A L < + 0 0 4 -3,-1.1 -1,-0.2 -6,-0.2 2,-0.2 -0.817 31.2 155.2 -86.3 107.6 -3.6 -9.7 3.5 106 447 A T > - 0 0 29 -2,-0.9 3,-1.6 -3,-0.1 130,-0.1 -0.731 61.3 -93.4-121.6 176.6 -4.3 -6.1 4.5 107 448 A W G > S+ 0 0 10 125,-0.4 3,-0.7 129,-0.3 4,-0.1 0.779 124.4 56.8 -54.9 -26.0 -4.0 -3.9 7.7 108 449 A N G 3 S+ 0 0 121 1,-0.2 -1,-0.3 127,-0.1 3,-0.1 0.524 108.5 43.3 -88.8 -7.3 -7.7 -4.8 8.3 109 450 A S G < S+ 0 0 41 -3,-1.6 -1,-0.2 1,-0.1 -2,-0.2 -0.077 76.2 111.5-126.7 31.9 -7.1 -8.6 8.4 110 451 A L X + 0 0 1 -3,-0.7 3,-1.9 -5,-0.1 -2,-0.1 0.753 47.3 111.7 -75.1 -22.6 -3.9 -8.7 10.4 111 452 A K T 3 S+ 0 0 102 1,-0.3 35,-0.2 -4,-0.1 3,-0.1 -0.260 85.9 8.6 -58.8 131.2 -5.7 -10.3 13.4 112 453 A D T 3 S+ 0 0 91 33,-2.5 -1,-0.3 1,-0.3 34,-0.2 0.606 102.2 120.1 71.9 14.9 -4.6 -13.9 14.0 113 454 A K S < S- 0 0 65 -3,-1.9 34,-1.3 32,-0.2 35,-0.6 -0.449 71.4 -92.9 -95.4 178.1 -1.7 -13.7 11.5 114 455 A K E -i 148 0B 63 32,-0.2 84,-3.6 33,-0.2 85,-2.0 -0.835 41.8-158.9-103.1 121.7 2.0 -14.2 12.2 115 456 A S E -ij 149 199B 0 33,-1.4 35,-1.7 -2,-0.6 2,-0.5 -0.738 13.8-156.9-107.4 145.0 4.1 -11.1 13.0 116 457 A e E -ij 150 200B 0 83,-2.4 85,-2.3 -2,-0.3 2,-0.3 -0.963 18.4-177.7-116.7 115.1 7.8 -10.3 12.9 117 458 A H E - 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