==== 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-JUL-09 3IAZ . COMPND 2 MOLECULE: LACTOTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.MIR,N.SINGH,M.SINHA,S.SHARMA,P.KAUR,A.SRINIVASAN,T.P.SINGH . 341 2 10 9 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15345.0 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 . 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 . 15 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 14.1 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 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 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 2 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 0 280 0, 0.0 2,-0.1 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 -58.0 43.1 11.1 28.7 2 343 A T + 0 0 43 2,-0.0 2,-0.3 266,-0.0 0, 0.0 -0.563 360.0 163.0-144.3 65.3 39.7 11.2 27.0 3 344 A R - 0 0 145 -2,-0.1 2,-0.4 25,-0.0 25,-0.2 -0.764 22.5-155.8-106.4 145.4 38.6 7.6 26.9 4 345 A V E -a 28 0A 0 23,-2.4 25,-2.5 -2,-0.3 2,-0.7 -0.942 8.9-147.8-125.4 130.9 35.1 6.1 26.3 5 346 A V E -a 29 0A 26 -2,-0.4 44,-2.7 23,-0.2 45,-1.4 -0.876 20.5-155.6 -95.7 112.7 33.7 2.7 27.2 6 347 A W E -ab 30 50A 2 23,-3.2 25,-2.7 -2,-0.7 2,-0.6 -0.628 9.8-133.7 -85.3 148.2 31.2 1.5 24.6 7 348 A a E -a 31 0A 0 43,-2.2 2,-0.4 -2,-0.2 45,-0.2 -0.898 20.2-164.1-106.5 123.5 28.5 -1.0 25.6 8 349 A A E -a 32 0A 0 23,-2.9 25,-2.4 -2,-0.6 2,-0.7 -0.801 13.3-138.2-105.8 142.9 28.0 -3.9 23.2 9 350 A V E > -a 33 0A 12 -2,-0.4 4,-0.5 23,-0.2 169,-0.5 -0.879 66.9 -17.0-104.0 110.2 24.9 -6.1 23.2 10 351 A G H > S- 0 0 4 23,-2.7 4,-1.6 -2,-0.7 23,-0.1 -0.026 91.7 -65.1 83.0 168.3 25.7 -9.8 22.7 11 352 A P H > S+ 0 0 62 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.743 126.7 53.4 -66.0 -33.8 28.8 -11.6 21.4 12 353 A E H > S+ 0 0 56 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.901 110.5 46.1 -72.7 -43.5 28.8 -10.3 17.8 13 354 A E H X S+ 0 0 33 -4,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.871 110.3 56.4 -63.8 -35.1 28.7 -6.7 18.8 14 355 A Q H X S+ 0 0 74 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.921 105.2 50.7 -61.8 -46.3 31.5 -7.4 21.3 15 356 A K H X S+ 0 0 134 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.922 112.6 45.8 -58.8 -44.7 33.7 -8.8 18.6 16 357 A K H X S+ 0 0 9 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.904 111.3 53.1 -65.3 -40.4 33.1 -5.7 16.4 17 358 A b H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.902 106.0 54.0 -61.0 -41.0 33.7 -3.4 19.4 18 359 A Q H X S+ 0 0 99 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.888 107.1 49.8 -60.8 -41.5 37.0 -5.2 20.2 19 360 A Q H X S+ 0 0 90 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.917 113.5 47.0 -63.5 -43.3 38.3 -4.5 16.6 20 361 A W H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.907 111.8 50.7 -63.2 -42.1 37.3 -0.9 17.0 21 362 A S H ><>S+ 0 0 13 -4,-2.7 5,-2.5 2,-0.2 3,-0.5 0.961 112.1 47.7 -59.1 -52.7 39.0 -0.7 20.4 22 363 A Q H ><5S+ 0 0 134 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.923 114.0 45.3 -50.7 -53.8 42.1 -2.2 19.0 23 364 A Q H 3<5S+ 0 0 71 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.651 107.8 58.5 -70.9 -17.4 42.2 0.1 16.0 24 365 A S T X<5S- 0 0 11 -4,-1.4 3,-0.9 -3,-0.5 -1,-0.3 0.418 111.5-118.4 -91.5 -1.4 41.5 3.2 18.1 25 366 A G T < 5S- 0 0 57 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.824 71.7 -60.5 65.6 31.2 44.5 2.6 20.3 26 367 A Q T 3 S- 0 0 35 1,-0.1 4,-1.6 -27,-0.1 5,-0.1 -0.952 76.1-115.5-142.6 163.6 20.5 -7.1 26.5 36 377 A T H > S+ 0 0 9 140,-0.4 4,-2.0 -2,-0.3 5,-0.2 0.903 116.4 56.1 -63.8 -41.1 20.1 -3.4 25.7 37 378 A D H > S+ 0 0 52 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.899 106.1 50.2 -59.4 -39.9 18.4 -2.9 29.0 38 379 A D H > S+ 0 0 84 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.843 107.9 53.6 -67.4 -35.4 21.4 -4.4 30.8 39 380 A a H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.840 104.8 54.9 -62.8 -36.8 23.7 -2.0 28.9 40 381 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.929 107.4 50.7 -63.1 -42.0 21.5 1.0 30.0 41 382 A V H X S+ 0 0 40 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.876 106.7 52.9 -61.5 -42.1 22.1 -0.1 33.6 42 383 A L H X>S+ 0 0 32 -4,-1.6 5,-2.5 2,-0.2 6,-1.1 0.918 110.4 49.6 -61.0 -39.4 25.9 -0.3 33.1 43 384 A V H ><5S+ 0 0 2 -4,-2.0 3,-0.9 4,-0.2 -2,-0.2 0.929 109.2 50.4 -65.0 -43.5 25.7 3.2 31.8 44 385 A L H 3<5S+ 0 0 47 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.874 109.9 51.4 -61.6 -37.9 23.7 4.4 34.8 45 386 A K H 3<5S- 0 0 119 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.660 115.4-117.5 -75.1 -14.4 26.3 2.8 37.1 46 387 A G T <<5S+ 0 0 44 -3,-0.9 -3,-0.2 -4,-0.8 -2,-0.1 0.621 86.1 116.1 87.2 14.9 29.1 4.6 35.3 47 388 A E S > - 0 0 4 -2,-0.4 4,-1.6 200,-0.2 3,-1.2 -0.469 45.6-104.2 -69.7 150.6 16.6 2.7 18.9 55 396 A G H 3> S+ 0 0 0 197,-0.5 4,-1.5 1,-0.3 5,-0.1 0.770 118.9 60.5 -50.6 -34.7 14.0 5.3 19.9 56 397 A G H 3> S+ 0 0 1 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.890 109.4 44.2 -61.6 -37.1 12.0 2.9 22.0 57 398 A Y H <> S+ 0 0 14 -3,-1.2 4,-3.0 1,-0.2 5,-0.2 0.786 105.0 62.3 -77.5 -26.2 15.0 2.4 24.2 58 399 A I H X S+ 0 0 2 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.868 101.0 54.0 -65.6 -33.6 15.8 6.1 24.2 59 400 A Y H X S+ 0 0 17 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.920 111.4 44.3 -62.3 -45.4 12.4 6.5 25.9 60 401 A T H X S+ 0 0 14 -4,-1.2 4,-1.0 2,-0.2 281,-0.3 0.945 116.6 45.6 -60.9 -51.7 13.5 4.0 28.6 61 402 A A H <>S+ 0 0 1 -4,-3.0 5,-2.2 1,-0.2 3,-0.4 0.877 109.7 56.9 -61.2 -39.3 17.0 5.5 28.9 62 403 A G H ><5S+ 0 0 8 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.864 101.3 53.5 -62.4 -41.7 15.5 9.0 29.1 63 404 A K H 3<5S+ 0 0 48 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.777 109.0 52.3 -66.3 -25.8 13.3 8.3 32.0 64 405 A c T 3<5S- 0 0 20 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.303 128.8 -93.7 -92.9 8.9 16.4 7.1 33.9 65 406 A G T < 5S+ 0 0 42 -3,-1.6 195,-0.6 1,-0.3 -3,-0.2 0.317 78.5 135.4 105.3 -11.7 18.4 10.4 33.1 66 407 A L E < -D 259 0A 5 -5,-2.2 -1,-0.3 193,-0.2 193,-0.2 -0.406 37.9-152.2 -75.3 152.9 20.3 9.4 29.9 67 408 A V E -D 258 0A 39 191,-2.8 191,-1.9 -2,-0.1 2,-0.2 -0.922 19.3-108.1-127.5 147.5 20.5 12.0 27.1 68 409 A P E +D 257 0A 13 0, 0.0 189,-0.3 0, 0.0 3,-0.1 -0.553 35.1 174.2 -70.9 141.1 20.8 11.7 23.3 69 410 A V E - 0 0 11 187,-3.5 241,-0.6 1,-0.5 2,-0.3 0.770 62.1 -0.8-115.2 -55.3 24.3 12.9 22.1 70 411 A L E -DE 256 309A 0 186,-0.7 186,-3.0 239,-0.1 -1,-0.5 -0.971 68.2-141.0-138.0 149.0 24.6 12.3 18.3 71 412 A A E -DE 255 308A 0 237,-2.3 237,-3.2 -2,-0.3 184,-0.3 -0.867 23.8-102.6-115.8 147.0 22.1 10.7 15.9 72 413 A E E - E 0 307A 8 182,-2.8 2,-0.4 -2,-0.3 235,-0.2 -0.494 36.8-165.5 -56.4 130.3 22.4 8.3 13.0 73 414 A N E - E 0 306A 3 233,-2.8 232,-2.8 -2,-0.2 233,-1.8 -0.987 4.8-169.8-120.8 125.7 22.2 10.1 9.7 74 415 A R E - E 0 304A 51 -2,-0.4 230,-0.1 230,-0.2 16,-0.1 -0.588 38.2 -59.9-108.5 177.1 21.7 8.3 6.4 75 416 A K + 0 0 109 228,-0.5 2,-0.3 -2,-0.2 -1,-0.2 -0.103 56.2 179.9 -53.0 141.0 21.8 9.3 2.8 76 417 A S - 0 0 35 1,-0.1 -1,-0.0 -3,-0.1 -3,-0.0 -0.981 36.4-148.1-145.4 158.7 19.5 12.0 1.5 77 418 A S S S+ 0 0 112 -2,-0.3 3,-0.5 2,-0.0 -1,-0.1 0.828 85.8 59.0 -88.5 -39.2 18.5 13.9 -1.7 78 419 A K S S+ 0 0 140 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 -0.350 96.7 32.8 -90.0 170.5 17.6 17.1 0.1 79 420 A H S > S+ 0 0 58 1,-0.1 3,-1.7 -2,-0.1 -1,-0.2 0.610 78.7 152.6 58.0 16.4 19.7 19.5 2.4 80 421 A S T 3 + 0 0 87 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.628 55.3 59.5 -54.9 -26.4 22.5 18.3 0.1 81 422 A S T 3 S+ 0 0 128 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.837 91.7 87.5 -70.9 -31.3 24.9 21.3 0.3 82 423 A L S < S- 0 0 88 -3,-1.7 5,-0.1 1,-0.1 2,-0.1 -0.370 88.8-106.9 -71.7 144.7 25.2 20.8 4.1 83 424 A D >> - 0 0 105 1,-0.1 4,-1.6 -2,-0.1 3,-1.2 -0.390 29.3-116.8 -68.6 148.0 27.8 18.4 5.6 84 425 A d T 34 S+ 0 0 9 1,-0.3 3,-0.5 2,-0.2 222,-0.1 0.902 112.9 57.0 -52.7 -44.4 26.4 15.2 7.0 85 426 A V T 34 S+ 0 0 28 1,-0.3 224,-2.6 223,-0.1 -1,-0.3 0.747 116.0 36.1 -62.9 -24.2 27.4 16.0 10.5 86 427 A L T <4 S+ 0 0 110 -3,-1.2 -1,-0.3 222,-0.2 -2,-0.2 0.589 92.5 111.6-102.0 -14.4 25.4 19.2 10.5 87 428 A R S < S- 0 0 17 -4,-1.6 -8,-0.0 -3,-0.5 -7,-0.0 -0.326 74.2-110.1 -67.2 136.6 22.5 18.0 8.4 88 429 A P - 0 0 68 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.335 36.6-110.6 -61.7 146.1 19.1 17.7 10.1 89 430 A T - 0 0 55 1,-0.1 -16,-0.1 221,-0.1 -17,-0.0 -0.502 22.9-162.8 -79.6 155.5 17.9 14.1 10.6 90 431 A E - 0 0 91 -2,-0.1 -1,-0.1 1,-0.1 -17,-0.1 0.689 28.0-133.1-109.6 -28.0 14.9 12.8 8.6 91 432 A G - 0 0 7 163,-0.1 2,-0.3 159,-0.1 -1,-0.1 -0.102 20.9 -92.7 93.1 163.5 13.7 9.7 10.4 92 433 A Y E -F 251 0B 3 159,-1.9 159,-3.8 -2,-0.0 2,-0.6 -0.815 30.1-111.2-117.5 164.0 12.8 6.4 9.0 93 434 A L E -F 250 0B 17 -2,-0.3 111,-2.2 157,-0.2 2,-0.5 -0.798 21.8-145.1 -95.0 123.3 9.5 4.9 7.8 94 435 A A E +FG 249 203B 2 155,-2.7 154,-3.2 -2,-0.6 155,-0.9 -0.716 29.9 179.3 -82.6 126.9 8.1 2.1 9.8 95 436 A V E - G 0 202B 1 107,-3.1 107,-1.1 -2,-0.5 2,-0.5 -0.872 31.8-134.9-127.8 162.8 6.3 -0.4 7.5 96 437 A A E - G 0 201B 0 135,-0.5 135,-2.3 -2,-0.3 2,-0.4 -0.984 32.0-164.1-113.7 124.4 4.4 -3.7 7.6 97 438 A V E +HG 230 200B 0 103,-2.5 103,-2.0 -2,-0.5 2,-0.3 -0.921 13.4 170.8-120.0 138.6 5.6 -6.1 4.9 98 439 A V E -H 229 0B 0 131,-3.0 131,-2.8 -2,-0.4 2,-0.3 -0.869 39.6 -92.3-135.9 168.1 4.1 -9.2 3.4 99 440 A K E > -H 228 0B 30 99,-0.5 3,-1.4 -2,-0.3 129,-0.3 -0.670 28.8-133.8 -79.6 134.0 4.8 -11.6 0.6 100 441 A K T 3 S+ 0 0 74 127,-2.9 -1,-0.1 -2,-0.3 128,-0.1 0.897 106.2 62.5 -49.3 -43.9 2.8 -10.8 -2.6 101 442 A A T 3 S+ 0 0 83 126,-0.4 2,-1.9 1,-0.2 -1,-0.2 0.682 81.9 81.0 -57.9 -23.3 1.8 -14.4 -2.9 102 443 A N S X S- 0 0 52 -3,-1.4 3,-1.0 96,-0.1 -1,-0.2 -0.630 80.8-168.9 -84.9 77.4 -0.0 -14.1 0.4 103 444 A E T 3 + 0 0 162 -2,-1.9 3,-0.1 1,-0.2 -2,-0.1 -0.305 58.6 21.2 -73.3 150.7 -3.0 -12.6 -1.4 104 445 A G T 3 S+ 0 0 61 1,-0.2 2,-0.6 -2,-0.0 -1,-0.2 0.477 83.9 130.1 74.1 -3.6 -5.9 -11.0 0.4 105 446 A L < + 0 0 3 -3,-1.0 2,-0.3 93,-0.0 -1,-0.2 -0.786 31.7 158.3 -82.2 122.6 -3.8 -10.4 3.5 106 447 A T > - 0 0 30 -2,-0.6 3,-2.1 -3,-0.1 4,-0.1 -0.834 59.6 -85.8-135.3 177.1 -4.3 -6.7 4.5 107 448 A W G > S+ 0 0 6 125,-0.4 3,-0.9 129,-0.3 4,-0.2 0.852 127.1 53.4 -50.2 -40.3 -4.0 -4.6 7.6 108 449 A N G 3 S+ 0 0 120 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.433 107.5 48.6 -79.5 -4.9 -7.6 -5.6 8.5 109 450 A S G < S+ 0 0 39 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.080 75.7 106.8-119.4 27.0 -7.1 -9.3 8.3 110 451 A L X + 0 0 2 -3,-0.9 3,-2.2 -4,-0.1 -2,-0.1 0.732 47.3 114.6 -75.3 -24.5 -3.9 -9.5 10.5 111 452 A K T 3 S+ 0 0 120 1,-0.3 35,-0.2 -4,-0.2 3,-0.1 -0.180 86.4 6.4 -48.7 132.6 -5.8 -11.1 13.4 112 453 A D T 3 S+ 0 0 104 33,-2.8 -1,-0.3 1,-0.2 34,-0.2 0.566 102.4 120.5 66.9 9.7 -4.6 -14.7 14.1 113 454 A K S < S- 0 0 68 -3,-2.2 34,-2.2 32,-0.2 35,-0.8 -0.297 70.4 -94.1 -89.2-172.8 -1.8 -14.5 11.6 114 455 A K E -i 148 0B 64 32,-0.2 84,-2.3 33,-0.2 85,-1.5 -0.888 40.8-157.6-109.0 128.6 2.0 -15.0 12.3 115 456 A S E -ij 149 199B 0 33,-1.9 35,-1.6 -2,-0.4 2,-0.5 -0.778 15.0-154.8-118.1 151.9 4.2 -12.0 13.0 116 457 A e E -ij 150 200B 0 83,-2.2 85,-2.5 -2,-0.3 2,-0.3 -0.989 20.8-179.4-122.2 120.7 7.9 -11.1 12.9 117 458 A H E - 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