==== 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 HYDROLASE 15-JUN-06 2HCA . COMPND 2 MOLECULE: LACTOTRANSFERRIN (LACTOFERRIN); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.MIR,R.PREM KUMAR,A.S.ETHAYATHULLA,N.SINGH,M.SINHA,P.KAUR,S . 341 2 10 9 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15337.0 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 . 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 . 15 4.4 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 . 81 23.8 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 0 0 1 0 1 2 1 0 1 0 0 0 1 1 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 3 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 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 0 238 0, 0.0 2,-0.2 0, 0.0 264,-0.0 0.000 360.0 360.0 360.0 -71.5 39.2 13.1 30.5 2 343 A T + 0 0 80 2,-0.0 2,-0.4 266,-0.0 0, 0.0 -0.118 360.0 100.0-103.5 36.4 39.4 12.0 26.9 3 344 A R - 0 0 133 -2,-0.2 2,-0.5 25,-0.0 25,-0.2 -0.980 52.6-153.9-126.1 130.8 38.6 8.2 26.9 4 345 A V E -a 28 0A 4 23,-2.3 25,-3.3 -2,-0.4 2,-0.8 -0.896 7.0-154.6-111.4 124.2 35.1 6.7 26.1 5 346 A V E -a 29 0A 23 -2,-0.5 44,-3.8 23,-0.2 45,-1.2 -0.869 22.0-159.5 -93.0 104.7 33.8 3.4 27.3 6 347 A W E -ab 30 50A 2 23,-3.3 25,-2.7 -2,-0.8 2,-0.7 -0.618 11.4-130.2 -86.5 145.9 31.2 2.3 24.7 7 348 A a E -a 31 0A 2 43,-2.1 2,-0.4 -2,-0.3 25,-0.2 -0.868 19.5-165.1-105.7 110.9 28.5 -0.2 25.5 8 349 A A E -a 32 0A 0 23,-2.2 25,-2.1 -2,-0.7 2,-0.6 -0.753 11.6-143.7 -89.6 136.1 28.1 -3.1 23.1 9 350 A V E -a 33 0A 8 -2,-0.4 169,-0.5 23,-0.2 4,-0.4 -0.917 67.0 -5.3-102.0 113.4 24.9 -5.2 23.3 10 351 A G S > S- 0 0 3 23,-2.6 4,-1.1 -2,-0.6 23,-0.1 -0.038 90.8 -76.2 91.9 164.6 25.6 -8.9 22.6 11 352 A P H > S+ 0 0 63 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.699 124.3 57.6 -71.7 -23.9 28.8 -10.8 21.5 12 353 A E H > S+ 0 0 70 2,-0.2 4,-1.2 1,-0.2 -2,-0.1 0.885 109.5 45.4 -73.8 -37.3 28.6 -9.7 17.8 13 354 A E H > S+ 0 0 36 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.765 106.6 60.6 -74.1 -29.5 28.7 -6.0 18.8 14 355 A Q H X S+ 0 0 67 -4,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.831 103.5 50.8 -65.5 -31.5 31.5 -6.7 21.3 15 356 A K H X S+ 0 0 128 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.876 110.2 47.2 -79.4 -34.3 33.8 -7.9 18.5 16 357 A K H X S+ 0 0 16 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.889 114.0 49.4 -66.5 -38.8 33.2 -4.9 16.3 17 358 A b H X S+ 0 0 0 -4,-1.9 4,-3.8 2,-0.2 -2,-0.2 0.907 107.8 52.6 -67.4 -42.7 33.8 -2.6 19.3 18 359 A Q H X S+ 0 0 100 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.912 111.9 46.8 -58.2 -42.9 37.0 -4.4 20.3 19 360 A Q H X S+ 0 0 100 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.920 113.1 48.0 -64.0 -48.1 38.2 -3.9 16.7 20 361 A W H X S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.921 114.1 48.0 -51.3 -48.5 37.2 -0.2 16.8 21 362 A S H <>S+ 0 0 11 -4,-3.8 5,-1.5 2,-0.2 4,-0.4 0.844 108.4 54.8 -65.0 -35.5 39.0 -0.1 20.2 22 363 A Q H ><5S+ 0 0 154 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.969 112.9 42.0 -56.8 -54.2 42.0 -1.8 18.6 23 364 A Q H 3<5S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.496 108.8 59.4 -77.3 -6.7 42.2 0.9 15.9 24 365 A S T ><5S- 0 0 11 -4,-0.8 3,-1.1 -3,-0.3 -1,-0.2 0.455 103.4-122.6-100.4 -2.8 41.5 3.8 18.2 25 366 A G T < 5S- 0 0 54 -3,-1.1 -3,-0.1 -4,-0.4 -2,-0.1 0.901 74.4 -52.3 59.6 45.6 44.6 3.2 20.5 26 367 A Q T 3 S- 0 0 31 1,-0.1 4,-1.7 -27,-0.1 3,-0.4 -0.945 79.2-108.7-147.3 158.2 20.4 -6.4 26.4 36 377 A T H > S+ 0 0 10 140,-0.5 4,-2.2 -2,-0.3 5,-0.2 0.888 116.7 59.5 -59.6 -39.8 20.0 -2.7 25.7 37 378 A D H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.896 103.7 50.8 -57.6 -42.1 18.3 -2.2 29.1 38 379 A D H > S+ 0 0 80 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.912 106.8 53.8 -62.8 -44.9 21.4 -3.5 30.8 39 380 A a H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.889 105.0 54.3 -55.5 -42.2 23.7 -1.1 28.9 40 381 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.914 108.6 50.4 -58.2 -42.6 21.5 1.8 30.0 41 382 A V H X S+ 0 0 38 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.928 107.7 52.5 -57.5 -48.4 22.1 0.7 33.6 42 383 A L H X>S+ 0 0 33 -4,-2.4 5,-1.5 1,-0.2 6,-1.2 0.901 110.7 47.3 -58.7 -40.4 25.9 0.5 33.0 43 384 A V H <5S+ 0 0 2 -4,-2.3 -1,-0.2 4,-0.2 -2,-0.2 0.880 110.6 52.6 -69.7 -37.0 25.9 4.1 31.7 44 385 A L H <5S+ 0 0 46 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.909 108.8 49.7 -58.1 -42.9 23.8 5.2 34.7 45 386 A K H <5S- 0 0 125 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.768 115.0-121.3 -70.5 -24.6 26.3 3.5 37.0 46 387 A G T <5S+ 0 0 41 -4,-1.2 -3,-0.2 2,-0.3 -4,-0.1 0.398 84.0 115.4 96.5 1.1 29.0 5.4 35.1 47 388 A E S > - 0 0 4 -2,-0.4 4,-1.6 200,-0.2 3,-1.0 -0.341 44.8-104.2 -60.8 151.4 16.7 3.5 18.7 55 396 A G H 3> S+ 0 0 0 197,-0.5 4,-1.0 1,-0.3 -1,-0.1 0.768 118.5 61.5 -51.2 -31.6 14.1 6.1 19.6 56 397 A G H 3> S+ 0 0 0 1,-0.2 4,-0.9 2,-0.2 3,-0.3 0.879 106.7 42.6 -67.1 -39.6 12.2 3.6 21.8 57 398 A Y H <> S+ 0 0 11 -3,-1.0 4,-3.0 1,-0.2 -1,-0.2 0.809 103.6 67.7 -78.1 -25.9 15.0 3.1 24.2 58 399 A I H X S+ 0 0 1 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.815 97.2 54.8 -60.2 -32.4 15.8 6.8 24.2 59 400 A Y H X S+ 0 0 13 -4,-1.0 4,-1.6 -3,-0.3 -1,-0.2 0.886 110.4 44.2 -68.9 -43.2 12.5 7.3 26.0 60 401 A T H X S+ 0 0 14 -4,-0.9 4,-1.0 2,-0.2 3,-0.5 0.982 116.1 47.6 -57.1 -59.8 13.5 4.7 28.8 61 402 A A H <>S+ 0 0 1 -4,-3.0 5,-1.7 1,-0.2 3,-0.4 0.818 109.0 56.2 -51.5 -37.2 17.0 6.3 29.0 62 403 A G H ><5S+ 0 0 8 -4,-1.9 3,-2.0 1,-0.2 -1,-0.2 0.893 101.0 53.7 -67.7 -43.5 15.4 9.8 29.1 63 404 A K H 3<5S+ 0 0 53 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.730 108.9 54.0 -59.9 -22.3 13.3 9.1 32.2 64 405 A c T 3<5S- 0 0 19 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.254 125.8-101.4-100.1 7.7 16.6 8.0 33.8 65 406 A G T < 5S+ 0 0 42 -3,-2.0 195,-0.3 1,-0.3 -3,-0.2 0.154 73.7 140.1 99.5 -18.8 18.3 11.2 33.0 66 407 A L < - 0 0 4 -5,-1.7 -1,-0.3 193,-0.1 193,-0.2 -0.227 38.0-146.4 -59.4 149.5 20.4 10.2 29.9 67 408 A V E -D 258 0A 38 191,-3.5 191,-1.9 248,-0.1 2,-0.2 -0.947 14.1-114.3-129.4 136.9 20.7 12.7 27.1 68 409 A P E +D 257 0A 12 0, 0.0 189,-0.2 0, 0.0 3,-0.1 -0.500 33.3 173.9 -66.3 135.4 20.9 12.5 23.3 69 410 A V E - 0 0 5 187,-2.9 241,-0.4 1,-0.5 2,-0.3 0.813 60.1 -1.8-108.9 -57.3 24.3 13.7 22.0 70 411 A L E -D 256 0A 0 186,-0.6 186,-1.5 239,-0.1 -1,-0.5 -0.898 66.4-140.6-138.1 161.8 24.6 13.1 18.3 71 412 A A E -DE 255 308A 0 237,-1.8 237,-3.3 -2,-0.3 184,-0.2 -0.930 20.7-104.6-131.4 151.7 22.2 11.5 15.8 72 413 A E E - E 0 307A 9 182,-2.6 2,-0.4 -2,-0.3 235,-0.2 -0.484 32.6-166.7 -71.5 142.7 22.5 9.2 12.8 73 414 A N E - E 0 306A 5 233,-1.7 232,-4.1 -2,-0.2 233,-1.3 -0.998 1.1-164.4-134.3 131.3 22.1 10.7 9.3 74 415 A R - 0 0 60 -2,-0.4 230,-0.1 230,-0.3 16,-0.1 -0.406 46.3 -55.3 -99.1 176.7 21.6 8.8 6.0 75 416 A K - 0 0 159 228,-0.4 2,-0.3 -2,-0.1 -1,-0.2 -0.342 64.3-172.4 -47.7 124.1 21.9 9.8 2.3 76 417 A S - 0 0 34 3,-0.1 3,-0.0 1,-0.1 -1,-0.0 -0.930 31.2-165.0-129.6 154.7 19.6 12.8 1.7 77 418 A S S S+ 0 0 119 -2,-0.3 2,-0.3 1,-0.0 3,-0.2 0.617 79.6 65.2-111.9 -24.1 18.5 14.8 -1.3 78 419 A K S S+ 0 0 127 1,-0.2 -1,-0.0 2,-0.1 0, 0.0 -0.835 99.2 35.4 -93.8 146.9 17.1 17.9 0.5 79 420 A H S S+ 0 0 62 -2,-0.3 -1,-0.2 -3,-0.0 -3,-0.1 0.968 71.3 159.6 68.6 64.3 19.8 19.9 2.3 80 421 A S + 0 0 103 -3,-0.2 -2,-0.1 1,-0.1 -4,-0.1 0.854 66.5 50.4 -83.2 -39.2 22.5 19.3 -0.3 81 422 A S S S+ 0 0 120 2,-0.1 -1,-0.1 0, 0.0 2,-0.1 0.837 92.6 91.5 -70.7 -37.9 24.8 22.3 0.5 82 423 A L S S- 0 0 62 1,-0.1 2,-0.1 4,-0.1 5,-0.1 -0.353 82.5-115.2 -64.8 136.0 24.9 21.5 4.3 83 424 A D >> - 0 0 113 1,-0.1 4,-1.8 -2,-0.1 3,-1.0 -0.436 29.0-112.0 -69.1 145.8 27.6 19.3 5.7 84 425 A d T 34 S+ 0 0 11 1,-0.3 3,-0.3 2,-0.2 222,-0.1 0.859 116.1 53.9 -47.8 -45.5 26.4 16.1 7.2 85 426 A V T 34 S+ 0 0 31 1,-0.2 224,-1.7 223,-0.2 -1,-0.3 0.849 117.6 34.7 -62.4 -37.4 27.3 17.1 10.7 86 427 A L T <4 S+ 0 0 114 -3,-1.0 -1,-0.2 222,-0.2 -2,-0.2 0.563 95.4 109.8 -92.7 -11.0 25.3 20.4 10.5 87 428 A R S < S- 0 0 18 -4,-1.8 2,-0.1 -3,-0.3 -8,-0.0 -0.433 75.5-111.1 -69.1 134.6 22.5 18.9 8.4 88 429 A P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.378 32.5-113.4 -64.4 144.4 19.1 18.4 10.0 89 430 A T - 0 0 52 221,-0.1 -16,-0.1 1,-0.1 -17,-0.0 -0.630 19.2-157.9 -82.4 137.1 18.0 14.8 10.6 90 431 A E - 0 0 91 -2,-0.3 -1,-0.1 1,-0.2 2,-0.1 0.601 26.7-135.2 -90.5 -12.6 15.0 13.7 8.6 91 432 A G - 0 0 8 159,-0.1 2,-0.3 163,-0.1 -1,-0.2 -0.350 26.1 -94.7 77.9-171.8 13.7 10.7 10.7 92 433 A Y E -F 251 0B 6 159,-2.1 159,-4.1 -2,-0.1 2,-0.8 -0.960 25.4-102.9-146.1 162.8 12.7 7.4 9.1 93 434 A L E -F 250 0B 16 -2,-0.3 111,-2.0 157,-0.2 2,-0.3 -0.772 22.9-153.2 -99.3 107.6 9.6 5.6 7.7 94 435 A A E +FG 249 203B 1 155,-2.2 154,-2.2 -2,-0.8 155,-0.9 -0.591 27.6 178.0 -66.4 129.2 8.1 2.9 9.9 95 436 A V E - G 0 202B 2 107,-2.2 107,-1.1 -2,-0.3 2,-0.5 -0.944 33.5-134.0-133.5 156.8 6.3 0.5 7.5 96 437 A A E - G 0 201B 0 135,-0.4 135,-2.5 -2,-0.3 2,-0.3 -0.978 33.0-165.6-105.4 125.9 4.4 -2.8 7.7 97 438 A V E +HG 230 200B 0 103,-2.5 103,-1.8 -2,-0.5 2,-0.3 -0.847 11.4 174.6-116.3 145.2 5.6 -5.1 4.9 98 439 A V E -H 229 0B 0 131,-2.8 131,-1.7 -2,-0.3 2,-0.4 -0.912 37.8 -94.0-139.5 168.9 4.1 -8.3 3.5 99 440 A K E > -H 228 0B 25 99,-0.4 3,-1.4 -2,-0.3 129,-0.3 -0.723 29.0-134.5 -86.4 137.2 4.8 -10.8 0.7 100 441 A K T 3 S+ 0 0 95 127,-3.6 128,-0.1 -2,-0.4 -1,-0.1 0.854 105.2 62.1 -60.2 -40.0 2.9 -10.0 -2.5 101 442 A A T 3 S+ 0 0 83 126,-0.4 2,-2.2 1,-0.2 -1,-0.3 0.729 84.5 82.8 -56.7 -23.5 1.8 -13.6 -2.9 102 443 A N S X S+ 0 0 49 -3,-1.4 3,-0.9 96,-0.1 -1,-0.2 -0.434 73.9 179.4 -83.2 63.8 0.0 -13.1 0.4 103 444 A E T 3 + 0 0 166 -2,-2.2 3,-0.1 1,-0.2 -2,-0.1 -0.331 59.1 32.7 -66.3 148.3 -3.0 -11.6 -1.5 104 445 A G T 3 S+ 0 0 58 1,-0.2 2,-0.5 -2,-0.0 -1,-0.2 -0.112 83.2 126.0 95.1 -35.5 -5.9 -10.5 0.6 105 446 A L < + 0 0 5 -3,-0.9 2,-0.3 -5,-0.1 -1,-0.2 -0.432 32.8 159.9 -65.0 110.2 -3.7 -9.5 3.6 106 447 A T > - 0 0 36 -2,-0.5 3,-3.0 -3,-0.1 130,-0.1 -0.872 59.3 -95.5-124.8 160.6 -4.5 -5.9 4.5 107 448 A W G > S+ 0 0 9 129,-0.4 3,-0.5 125,-0.4 4,-0.1 0.693 126.7 56.4 -43.6 -23.0 -4.0 -3.8 7.6 108 449 A N G 3 S+ 0 0 122 1,-0.2 -1,-0.3 127,-0.2 3,-0.2 0.550 104.1 49.8 -94.5 -8.9 -7.6 -4.8 8.4 109 450 A S G < S+ 0 0 46 -3,-3.0 -1,-0.2 1,-0.1 -2,-0.2 -0.162 76.1 107.5-116.3 37.2 -7.0 -8.5 8.3 110 451 A L X + 0 0 1 -3,-0.5 3,-2.6 -5,-0.1 -1,-0.1 0.809 45.6 111.0 -79.8 -29.7 -3.9 -8.6 10.5 111 452 A K T 3 S+ 0 0 112 1,-0.3 35,-0.2 -3,-0.2 34,-0.1 -0.168 89.5 8.6 -53.2 134.1 -5.7 -10.2 13.5 112 453 A D T 3 S+ 0 0 87 33,-3.3 -1,-0.3 1,-0.2 34,-0.2 0.460 103.2 126.4 68.1 6.3 -4.6 -13.8 14.1 113 454 A K < - 0 0 67 -3,-2.6 34,-1.9 32,-0.3 35,-0.8 -0.179 67.3 -99.3 -78.7 179.0 -1.8 -13.4 11.6 114 455 A K E -i 148 0B 65 32,-0.2 85,-1.5 33,-0.2 84,-1.4 -0.881 42.0-160.3-104.9 135.2 1.9 -14.1 12.2 115 456 A S E -ij 149 199B 0 33,-1.9 35,-1.3 -2,-0.4 2,-0.5 -0.869 18.7-156.5-126.9 152.5 4.2 -11.2 12.9 116 457 A e E -ij 150 200B 0 83,-2.3 85,-2.6 -2,-0.3 2,-0.3 -0.979 18.8-179.9-125.8 115.7 7.8 -10.2 12.9 117 458 A H E - 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