==== 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 3IB2 . COMPND 2 MOLECULE: LACTOTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.MIR,G.VIKRAM,R.P.KUMAR,M.SINHA,N.SINGH,S.SHARMA,P.KAUR,T.P . 341 2 10 9 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15285.0 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 . 31 9.1 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 . 46 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 23.2 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 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 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 2,-0.9 0, 0.0 264,-0.0 0.000 360.0 360.0 360.0 36.7 38.8 13.5 29.9 2 343 A T + 0 0 69 2,-0.0 2,-0.4 263,-0.0 0, 0.0 -0.253 360.0 88.5-105.6 22.0 39.3 11.8 27.0 3 344 A R - 0 0 128 -2,-0.9 2,-0.4 25,-0.0 25,-0.2 -0.897 52.8-160.0 -99.4 134.1 38.7 8.0 27.1 4 345 A V E -a 28 0A 0 23,-2.3 25,-2.5 -2,-0.4 2,-0.6 -0.926 10.2-147.6-116.4 135.0 35.2 6.7 26.3 5 346 A V E -a 29 0A 33 -2,-0.4 44,-2.5 23,-0.2 45,-1.4 -0.902 17.1-155.4 -98.8 121.0 33.7 3.3 27.2 6 347 A W E -ab 30 50A 2 23,-3.7 25,-2.6 -2,-0.6 2,-0.6 -0.707 11.1-133.4 -96.6 145.0 31.2 2.2 24.6 7 348 A a E -a 31 0A 1 43,-2.0 2,-0.3 -2,-0.3 25,-0.2 -0.911 20.4-161.5-104.0 119.0 28.5 -0.3 25.6 8 349 A A E -a 32 0A 0 23,-3.6 25,-2.7 -2,-0.6 2,-0.8 -0.782 11.9-139.1 -95.1 142.0 28.1 -3.2 23.2 9 350 A V E -a 33 0A 11 -2,-0.3 169,-0.5 23,-0.2 4,-0.3 -0.858 67.0 -19.8-107.9 104.9 24.9 -5.3 23.2 10 351 A G S >> S- 0 0 3 23,-2.8 4,-1.7 -2,-0.8 3,-0.6 -0.024 92.0 -62.1 83.7 172.7 25.8 -9.0 22.7 11 352 A P H 3> S+ 0 0 63 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.740 125.9 51.0 -68.5 -32.1 28.8 -10.8 21.4 12 353 A E H 3> S+ 0 0 65 2,-0.2 4,-1.7 1,-0.2 -2,-0.1 0.762 111.5 48.2 -74.9 -29.9 29.0 -9.6 17.8 13 354 A E H <> S+ 0 0 34 -3,-0.6 4,-2.3 -4,-0.3 -1,-0.2 0.793 109.9 55.5 -77.2 -32.4 28.8 -5.9 18.8 14 355 A Q H X S+ 0 0 69 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.943 106.6 49.2 -60.8 -50.3 31.5 -6.8 21.3 15 356 A K H X S+ 0 0 136 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.946 113.4 45.2 -46.5 -59.1 33.7 -8.1 18.5 16 357 A K H X S+ 0 0 12 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.882 112.9 52.2 -59.1 -39.4 33.1 -5.0 16.4 17 358 A b H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.882 106.3 51.9 -62.2 -43.7 33.7 -2.8 19.5 18 359 A Q H X S+ 0 0 106 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.854 109.8 51.1 -65.8 -36.0 37.1 -4.5 20.3 19 360 A Q H X S+ 0 0 99 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.898 112.1 45.0 -57.2 -48.8 38.2 -3.9 16.8 20 361 A W H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.853 110.9 56.2 -63.6 -37.9 37.2 -0.2 17.0 21 362 A S H <>S+ 0 0 12 -4,-2.4 5,-2.2 2,-0.2 7,-0.4 0.934 108.8 45.7 -65.0 -47.2 38.9 -0.2 20.4 22 363 A Q H ><5S+ 0 0 142 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.916 114.2 46.8 -54.7 -56.6 42.2 -1.4 18.9 23 364 A Q H 3<5S+ 0 0 55 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.662 107.6 58.1 -57.6 -26.8 42.2 1.0 15.9 24 365 A S T 3<5S- 0 0 9 -4,-1.4 3,-0.5 -3,-0.2 -1,-0.2 0.510 112.6-116.6 -86.2 -5.2 41.3 4.0 18.2 25 366 A G T < 5S- 0 0 51 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.742 72.2 -57.4 74.8 25.0 44.5 3.5 20.3 26 367 A Q S S- 0 0 33 -27,-0.1 4,-1.6 1,-0.1 -25,-0.1 -0.982 76.0-114.9-148.9 159.1 20.5 -6.4 26.5 36 377 A T H > S+ 0 0 11 140,-0.4 4,-2.8 -2,-0.3 5,-0.2 0.904 115.1 56.6 -59.2 -47.0 20.0 -2.7 25.8 37 378 A D H > S+ 0 0 53 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.884 107.4 50.8 -54.6 -38.5 18.3 -2.1 29.2 38 379 A D H > S+ 0 0 83 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.870 107.7 50.3 -67.3 -40.4 21.4 -3.6 30.8 39 380 A a H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.884 107.5 56.1 -62.5 -37.3 23.7 -1.3 28.9 40 381 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.911 106.4 49.9 -61.0 -40.6 21.4 1.6 30.0 41 382 A V H X S+ 0 0 41 -4,-1.9 4,-2.3 -5,-0.2 6,-0.2 0.917 107.2 54.1 -64.7 -39.6 22.1 0.5 33.6 42 383 A L H X>S+ 0 0 26 -4,-2.0 5,-2.3 2,-0.2 6,-1.1 0.920 108.5 50.1 -57.3 -44.6 25.9 0.4 33.0 43 384 A V H ><5S+ 0 0 2 -4,-2.2 3,-1.1 4,-0.2 -2,-0.2 0.934 110.1 49.3 -58.8 -51.0 25.7 4.0 31.8 44 385 A L H 3<5S+ 0 0 49 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.860 111.1 49.6 -56.0 -41.9 23.7 5.2 34.9 45 386 A K H 3<5S- 0 0 121 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.682 114.0-121.5 -70.9 -15.7 26.2 3.5 37.2 46 387 A G T <<5S+ 0 0 41 -3,-1.1 -3,-0.2 -4,-0.7 -2,-0.1 0.590 82.6 118.9 81.3 9.6 29.0 5.2 35.3 47 388 A E S > - 0 0 5 -2,-0.4 4,-1.4 200,-0.2 3,-1.1 -0.376 46.4-101.5 -56.1 146.7 16.5 3.4 18.8 55 396 A G H 3> S+ 0 0 0 197,-0.6 4,-1.7 1,-0.2 -1,-0.1 0.794 119.3 60.8 -38.6 -43.9 13.9 6.0 19.9 56 397 A G H 3> S+ 0 0 1 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.866 110.1 43.9 -62.3 -32.5 11.8 3.6 22.1 57 398 A Y H <> S+ 0 0 12 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.742 102.8 63.7 -81.1 -23.2 14.9 3.1 24.2 58 399 A I H X S+ 0 0 1 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.882 102.8 53.8 -65.1 -33.5 15.7 6.9 24.2 59 400 A Y H X S+ 0 0 16 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.964 109.5 44.6 -58.9 -59.0 12.4 7.1 26.1 60 401 A T H X S+ 0 0 13 -4,-1.3 4,-0.8 1,-0.2 -2,-0.2 0.900 118.0 44.9 -46.7 -51.9 13.5 4.5 28.8 61 402 A A H <>S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.2 -1,-0.2 0.786 109.0 55.3 -70.1 -28.7 16.9 6.1 29.2 62 403 A G H ><5S+ 0 0 8 -4,-1.7 3,-1.5 1,-0.2 -1,-0.2 0.866 101.5 56.3 -79.4 -35.8 15.6 9.7 29.2 63 404 A K H 3<5S+ 0 0 55 -4,-2.0 277,-0.4 1,-0.2 -1,-0.2 0.797 107.0 53.2 -58.4 -27.4 13.2 8.9 32.1 64 405 A c T 3<5S- 0 0 17 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.304 129.3 -97.1 -91.1 8.3 16.4 7.8 33.9 65 406 A G T < 5S+ 0 0 38 -3,-1.5 195,-0.8 1,-0.3 -3,-0.2 0.437 77.4 138.4 94.3 -1.3 18.2 11.1 33.2 66 407 A L E < -D 259 0B 3 -5,-2.9 -1,-0.3 193,-0.2 193,-0.2 -0.482 38.7-145.7 -76.4 158.5 20.2 10.1 30.1 67 408 A V E -D 258 0B 41 191,-2.7 191,-1.9 -2,-0.1 2,-0.2 -0.933 16.8-108.6-131.4 139.4 20.4 12.7 27.2 68 409 A P E +D 257 0B 12 0, 0.0 189,-0.2 0, 0.0 3,-0.1 -0.472 37.7 171.9 -57.6 133.5 20.6 12.6 23.5 69 410 A V E - 0 0 7 187,-3.2 241,-0.4 1,-0.5 2,-0.3 0.760 59.8 -2.2-116.5 -45.0 24.1 13.6 22.3 70 411 A L E -D 256 0B 0 186,-1.0 186,-3.3 239,-0.1 -1,-0.5 -0.980 66.6-138.7-153.1 143.2 24.5 13.0 18.6 71 412 A A E -DE 255 308B 0 237,-2.3 237,-2.8 -2,-0.3 184,-0.3 -0.859 21.4-108.6-111.4 145.8 22.0 11.5 16.0 72 413 A E E - E 0 307B 10 182,-2.7 2,-0.4 -2,-0.3 235,-0.2 -0.508 37.7-169.0 -61.5 136.3 22.4 9.1 13.1 73 414 A N E - E 0 306B 4 233,-2.8 232,-2.2 -2,-0.2 233,-1.8 -0.992 3.6-170.8-131.6 135.0 22.1 10.9 9.7 74 415 A R - 0 0 64 -2,-0.4 2,-0.9 230,-0.2 230,-0.1 -0.532 44.7 -54.6-115.4-174.2 21.7 9.4 6.2 75 416 A K - 0 0 128 228,-0.4 2,-0.4 -2,-0.2 -1,-0.1 -0.428 56.7-161.7 -63.5 96.1 21.8 10.5 2.5 76 417 A S - 0 0 24 -2,-0.9 -1,-0.0 3,-0.2 13,-0.0 -0.647 19.4-155.2 -84.6 132.3 19.1 13.2 2.3 77 418 A S S S+ 0 0 120 -2,-0.4 -1,-0.2 0, 0.0 -2,-0.0 0.999 88.5 45.0 -60.5 -64.7 17.7 14.1 -1.1 78 419 A K S S+ 0 0 162 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 -0.002 95.3 57.0 -63.2 174.3 16.8 17.7 0.2 79 420 A H S S- 0 0 77 2,-0.0 -3,-0.2 8,-0.0 -1,-0.1 0.989 78.2-170.7 59.2 62.6 19.3 19.7 2.3 80 421 A S + 0 0 107 1,-0.1 -4,-0.1 3,-0.0 -2,-0.0 0.959 58.5 3.2 -62.0 -75.6 22.2 19.6 -0.4 81 422 A S S S+ 0 0 121 2,-0.1 -1,-0.1 3,-0.0 2,-0.1 0.396 90.2 124.7-106.2 7.6 25.8 20.8 0.3 82 423 A L S S- 0 0 81 1,-0.1 5,-0.1 2,-0.1 2,-0.1 -0.445 78.6 -99.7 -50.3 127.6 25.1 21.5 4.1 83 424 A D >> - 0 0 103 1,-0.1 3,-1.9 -2,-0.1 4,-0.8 -0.379 25.3-123.0 -62.0 137.3 27.7 19.4 5.8 84 425 A d G >4 S+ 0 0 11 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.844 109.8 60.0 -47.5 -40.8 26.3 16.1 7.1 85 426 A V G 34 S+ 0 0 29 1,-0.2 224,-2.2 223,-0.1 -1,-0.3 0.732 114.4 35.3 -64.6 -19.8 27.4 16.9 10.7 86 427 A L G <4 S+ 0 0 113 -3,-1.9 -1,-0.2 222,-0.2 -2,-0.2 0.361 91.5 111.2-115.6 -1.7 25.2 20.0 10.7 87 428 A R S << S- 0 0 14 -3,-0.8 2,-0.1 -4,-0.8 3,-0.1 -0.542 74.3-111.7 -78.6 134.2 22.3 18.8 8.6 88 429 A P - 0 0 69 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.465 36.6-109.8 -61.6 140.8 18.9 18.3 10.4 89 430 A T - 0 0 48 1,-0.1 -16,-0.1 221,-0.1 -17,-0.0 -0.447 21.2-151.0 -67.1 144.8 18.0 14.6 10.7 90 431 A E - 0 0 78 1,-0.2 2,-0.1 -2,-0.1 -1,-0.1 0.818 30.0-126.0 -89.6 -32.9 15.0 13.6 8.5 91 432 A G - 0 0 10 163,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.336 23.5-101.2 102.0 168.8 13.4 10.7 10.5 92 433 A Y E -F 251 0C 8 159,-1.9 159,-4.0 -2,-0.1 2,-0.6 -0.940 26.8-109.6-131.9 157.9 12.7 7.3 9.1 93 434 A L E -F 250 0C 38 -2,-0.4 111,-2.4 157,-0.2 2,-0.5 -0.763 20.6-149.0 -91.8 120.7 9.6 5.6 7.8 94 435 A A E +FG 249 203C 0 155,-2.5 154,-3.1 -2,-0.6 155,-0.9 -0.724 29.1 174.9 -80.8 129.0 8.0 2.9 9.9 95 436 A V E - 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0 0 28 -2,-0.6 3,-2.2 -3,-0.1 131,-0.1 -0.825 62.3 -85.0-135.9 177.0 -4.2 -5.9 4.5 107 448 A W G > S+ 0 0 11 125,-0.4 3,-0.9 129,-0.4 4,-0.2 0.852 128.2 56.5 -49.6 -39.7 -4.1 -3.7 7.7 108 449 A N G 3 S+ 0 0 123 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.499 108.1 44.9 -71.7 -9.9 -7.7 -4.7 8.3 109 450 A S G < S+ 0 0 39 -3,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.010 75.5 108.8-128.1 33.6 -7.0 -8.5 8.2 110 451 A L X + 0 0 2 -3,-0.9 3,-2.5 2,-0.1 -2,-0.1 0.737 46.3 115.7 -79.1 -26.6 -3.9 -8.8 10.4 111 452 A K T 3 S+ 0 0 106 1,-0.3 35,-0.2 -4,-0.2 3,-0.1 -0.188 86.2 5.2 -50.2 129.3 -5.8 -10.4 13.3 112 453 A D T 3 S+ 0 0 92 33,-2.6 -1,-0.3 1,-0.2 34,-0.2 0.546 102.1 122.7 72.5 8.4 -4.6 -13.9 14.0 113 454 A K < - 0 0 72 -3,-2.5 34,-2.2 32,-0.2 35,-1.0 -0.233 69.8 -96.1 -85.2-173.3 -1.7 -13.8 11.5 114 455 A K E -i 148 0C 63 32,-0.2 84,-2.8 33,-0.2 85,-1.4 -0.913 42.4-162.7-107.6 130.1 2.0 -14.3 12.2 115 456 A S E -ij 149 199C 0 33,-1.8 35,-1.5 -2,-0.5 2,-0.4 -0.815 15.2-152.4-119.7 155.9 4.1 -11.2 12.9 116 457 A e E -ij 150 200C 0 83,-2.1 85,-2.0 -2,-0.3 2,-0.3 -0.998 19.9-177.8-127.1 122.8 7.9 -10.3 13.0 117 458 A H E - 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