==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-NOV-11 3UK4 . COMPND 2 MOLECULE: LACTOTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR P.K.SHUKLA,L.GAUTAM,M.SINHA,P.KAUR,S.SHARMA,T.P.SINGH . 341 2 10 9 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15229.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 66.6 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 . 32 9.4 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 . 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 0 4 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 0 270 0, 0.0 2,-0.9 0, 0.0 264,-0.0 0.000 360.0 360.0 360.0 -10.4 9.6 12.5 29.8 2 343 A T + 0 0 37 2,-0.1 2,-0.6 263,-0.0 0, 0.0 -0.488 360.0 142.3 -91.3 62.4 7.4 11.9 26.9 3 344 A R - 0 0 136 -2,-0.9 2,-0.5 25,-0.0 25,-0.2 -0.945 42.4-151.0 -85.5 119.6 7.8 8.1 26.8 4 345 A V E -a 28 0A 0 23,-2.6 25,-2.6 -2,-0.6 2,-0.7 -0.854 8.0-148.4-103.7 130.8 4.2 7.2 25.9 5 346 A V E -a 29 0A 30 -2,-0.5 44,-2.5 23,-0.2 45,-1.4 -0.858 16.2-158.8 -96.9 110.4 2.7 3.9 27.0 6 347 A W E -ab 30 50A 2 23,-2.9 25,-2.3 -2,-0.7 2,-0.6 -0.535 11.0-134.1 -84.1 148.0 0.1 2.6 24.4 7 348 A a E -a 31 0A 0 43,-1.9 2,-0.4 23,-0.2 25,-0.2 -0.954 18.7-161.3-107.1 123.9 -2.5 0.1 25.4 8 349 A A E -a 32 0A 0 23,-2.9 25,-2.4 -2,-0.6 2,-0.8 -0.804 12.8-137.7-103.7 138.1 -3.0 -2.9 23.0 9 350 A V E -a 33 0A 8 -2,-0.4 169,-0.5 23,-0.2 4,-0.5 -0.833 67.8 -19.4-100.3 104.2 -6.2 -4.9 23.1 10 351 A G S > S- 0 0 3 23,-2.6 4,-1.4 -2,-0.8 3,-0.2 -0.067 93.3 -63.7 83.8 167.4 -5.4 -8.7 22.7 11 352 A P H > S+ 0 0 63 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.668 126.6 53.9 -62.4 -27.8 -2.2 -10.5 21.4 12 353 A E H > S+ 0 0 61 -3,-0.2 4,-1.9 2,-0.2 5,-0.1 0.901 110.4 46.0 -80.3 -35.9 -2.3 -9.3 17.8 13 354 A E H > S+ 0 0 32 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.849 110.5 56.9 -67.2 -34.0 -2.4 -5.6 18.7 14 355 A Q H X S+ 0 0 75 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.944 105.6 49.4 -63.9 -46.0 0.4 -6.3 21.3 15 356 A K H X S+ 0 0 129 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.915 112.9 46.7 -61.1 -44.2 2.7 -7.7 18.6 16 357 A K H X S+ 0 0 10 -4,-1.9 4,-2.0 1,-0.2 3,-0.2 0.926 111.6 51.4 -62.6 -45.0 2.1 -4.7 16.3 17 358 A b H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.878 106.4 54.9 -56.9 -43.1 2.6 -2.3 19.3 18 359 A Q H X S+ 0 0 102 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.857 107.6 49.6 -59.3 -35.0 6.0 -4.1 20.1 19 360 A Q H X S+ 0 0 88 -4,-1.5 4,-2.0 -3,-0.2 -2,-0.2 0.874 111.7 48.3 -71.2 -39.1 7.1 -3.5 16.5 20 361 A W H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.939 110.1 53.1 -63.6 -45.7 6.1 0.2 16.8 21 362 A S H X>S+ 0 0 13 -4,-2.9 5,-2.3 1,-0.2 4,-0.5 0.949 109.9 46.8 -56.1 -55.3 8.0 0.4 20.2 22 363 A Q H ><5S+ 0 0 142 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.897 114.7 46.7 -50.2 -49.3 11.2 -1.0 18.7 23 364 A Q H 3<5S+ 0 0 67 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.765 108.5 55.5 -69.3 -27.0 11.1 1.4 15.7 24 365 A S H ><5S- 0 0 9 -4,-2.2 3,-0.6 -3,-0.3 -1,-0.2 0.465 112.7-115.1 -83.0 -3.9 10.3 4.4 17.8 25 366 A G T <<5S- 0 0 55 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.829 72.1 -58.2 70.3 31.5 13.4 3.9 20.0 26 367 A Q T 3 S- 0 0 34 1,-0.1 4,-1.9 -27,-0.1 5,-0.2 -0.931 75.8-117.1-141.3 158.7 -10.7 -6.1 26.3 36 377 A T H > S+ 0 0 10 140,-0.5 4,-2.1 -2,-0.3 5,-0.1 0.880 117.2 55.5 -60.6 -44.5 -11.1 -2.4 25.5 37 378 A D H > S+ 0 0 49 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.908 108.2 49.6 -54.0 -44.8 -12.9 -1.9 28.8 38 379 A D H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.855 108.6 52.6 -61.9 -35.9 -9.8 -3.4 30.6 39 380 A a H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.894 105.6 54.7 -69.1 -34.0 -7.4 -1.1 28.6 40 381 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.912 107.0 50.9 -60.1 -43.4 -9.6 1.9 29.7 41 382 A V H X S+ 0 0 41 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.867 105.8 54.1 -64.3 -39.7 -9.0 0.8 33.3 42 383 A L H X>S+ 0 0 29 -4,-1.8 5,-2.7 2,-0.2 6,-1.0 0.882 110.6 48.8 -62.4 -37.6 -5.2 0.6 32.9 43 384 A V H ><5S+ 0 0 1 -4,-1.9 3,-1.5 4,-0.2 -2,-0.2 0.960 108.7 50.6 -65.6 -48.2 -5.4 4.2 31.6 44 385 A L H 3<5S+ 0 0 47 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.854 111.2 50.2 -56.4 -33.6 -7.5 5.4 34.5 45 386 A K H 3<5S- 0 0 117 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.588 115.5-117.5 -81.4 -8.8 -4.9 3.7 36.9 46 387 A G T <<5S+ 0 0 44 -3,-1.5 -3,-0.2 -4,-0.6 -2,-0.1 0.658 85.4 117.0 80.8 18.6 -2.1 5.5 35.0 47 388 A E S - 0 0 4 -2,-0.3 4,-1.6 200,-0.2 3,-0.4 -0.309 45.6-102.3 -66.4 161.8 -14.7 3.6 18.7 55 396 A G H > S+ 0 0 0 197,-0.4 4,-1.7 1,-0.2 5,-0.1 0.846 121.1 55.3 -62.4 -35.9 -17.3 6.2 19.6 56 397 A G H > S+ 0 0 1 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.866 110.7 47.2 -65.4 -34.4 -19.4 3.9 21.9 57 398 A Y H > S+ 0 0 14 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.797 104.4 60.6 -79.7 -26.5 -16.1 3.2 23.9 58 399 A I H X S+ 0 0 1 -4,-1.6 4,-3.3 2,-0.2 -2,-0.2 0.911 101.2 55.0 -62.7 -36.1 -15.4 7.0 24.0 59 400 A Y H X S+ 0 0 18 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.948 111.1 43.8 -58.7 -52.7 -18.7 7.3 25.9 60 401 A T H X S+ 0 0 15 -4,-1.3 4,-0.8 2,-0.2 281,-0.2 0.946 117.0 45.0 -57.9 -49.3 -17.5 4.8 28.5 61 402 A A H <>S+ 0 0 1 -4,-2.8 5,-2.3 1,-0.2 3,-0.5 0.896 114.0 51.1 -65.6 -35.3 -14.0 6.3 28.8 62 403 A G H ><5S+ 0 0 7 -4,-3.3 3,-1.5 1,-0.3 -1,-0.2 0.817 101.7 57.1 -76.6 -27.4 -15.4 9.9 28.9 63 404 A K H 3<5S+ 0 0 45 -4,-2.0 -1,-0.3 1,-0.3 277,-0.2 0.738 108.1 51.7 -71.2 -18.6 -17.9 9.2 31.7 64 405 A c T 3<5S- 0 0 23 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.270 129.1 -99.3 -96.2 6.1 -14.8 8.1 33.6 65 406 A G T < 5S+ 0 0 47 -3,-1.5 195,-0.4 1,-0.3 -3,-0.2 0.377 75.6 137.2 90.0 5.7 -13.0 11.4 32.8 66 407 A L < - 0 0 6 -5,-2.3 -1,-0.3 193,-0.1 250,-0.2 -0.448 40.1-146.4 -77.1 156.8 -10.7 10.5 29.9 67 408 A V E -D 258 0A 40 191,-2.4 191,-1.6 -2,-0.1 2,-0.1 -0.898 16.1-103.1-127.9 146.4 -10.7 13.1 27.1 68 409 A P E +D 257 0A 13 0, 0.0 189,-0.3 0, 0.0 3,-0.1 -0.461 33.8 176.5 -68.6 148.0 -10.3 12.9 23.3 69 410 A V E - 0 0 12 187,-3.6 241,-0.5 1,-0.5 2,-0.3 0.830 61.3 -8.4-118.9 -53.3 -6.8 13.9 21.9 70 411 A L E - E 0 309A 0 186,-0.5 186,-2.7 239,-0.1 -1,-0.5 -0.981 66.0-133.1-144.1 154.6 -6.7 13.4 18.1 71 412 A A E -DE 255 308A 0 237,-2.4 237,-3.6 -2,-0.3 184,-0.2 -0.780 23.5-107.6-109.1 146.3 -9.2 11.8 15.7 72 413 A E E - E 0 307A 9 182,-2.3 2,-0.5 -2,-0.3 235,-0.2 -0.519 36.7-163.7 -59.1 134.6 -8.7 9.3 12.8 73 414 A N E - E 0 306A 2 233,-2.8 232,-2.3 -2,-0.2 233,-1.5 -0.984 7.1-173.7-125.2 121.4 -9.1 11.1 9.5 74 415 A R - 0 0 51 -2,-0.5 230,-0.1 230,-0.2 16,-0.1 -0.445 46.7 -40.3 -98.4 179.5 -9.7 9.2 6.3 75 416 A K - 0 0 131 228,-0.5 -1,-0.2 -2,-0.1 228,-0.0 -0.077 65.5-165.1 -37.5 124.7 -9.9 10.2 2.5 76 417 A S - 0 0 29 1,-0.1 3,-0.1 -3,-0.1 -1,-0.1 0.412 24.4-171.4 -92.9-140.1 -11.8 13.5 2.1 77 418 A S S > S+ 0 0 102 1,-0.9 3,-0.5 0, 0.0 2,-0.1 -0.370 72.7 49.4 178.4 -74.9 -13.5 15.5 -0.8 78 419 A K T 3 S+ 0 0 121 1,-0.2 -1,-0.9 2,-0.1 0, 0.0 -0.481 111.0 34.1 -75.5 155.3 -14.7 18.9 0.3 79 420 A H T > S+ 0 0 75 -2,-0.1 3,-0.7 -3,-0.1 -1,-0.2 0.849 76.2 155.2 67.1 34.6 -12.0 21.0 2.1 80 421 A S T < + 0 0 98 -3,-0.5 -2,-0.1 1,-0.2 -1,-0.1 0.634 55.6 66.5 -74.8 -13.7 -9.3 19.3 -0.0 81 422 A S T 3 S+ 0 0 117 2,-0.1 -1,-0.2 0, 0.0 6,-0.0 0.829 82.9 90.3 -77.2 -31.3 -6.7 22.1 0.2 82 423 A L S < S- 0 0 72 -3,-0.7 5,-0.1 1,-0.1 3,-0.0 -0.243 86.8-100.9 -66.8 150.1 -6.0 21.6 4.0 83 424 A D >> - 0 0 100 1,-0.1 3,-0.9 3,-0.1 4,-0.6 -0.341 34.9-115.9 -57.0 148.4 -3.4 19.3 5.5 84 425 A d G >4 S+ 0 0 10 1,-0.2 3,-1.6 2,-0.2 222,-0.1 0.941 115.9 58.0 -51.6 -50.6 -4.9 16.0 6.7 85 426 A V G 34 S+ 0 0 29 1,-0.3 224,-2.6 223,-0.1 -1,-0.2 0.719 113.3 39.4 -56.7 -21.8 -3.9 16.9 10.3 86 427 A L G <4 S+ 0 0 102 -3,-0.9 -1,-0.3 222,-0.2 -2,-0.2 0.358 90.1 111.7-111.4 0.1 -5.9 20.1 10.1 87 428 A R S << S- 0 0 17 -3,-1.6 2,-0.1 -4,-0.6 -8,-0.0 -0.585 73.2-115.3 -75.7 129.9 -8.9 18.8 8.2 88 429 A P - 0 0 72 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.440 34.6-121.4 -54.9 133.6 -12.3 18.6 10.0 89 430 A T - 0 0 46 1,-0.1 -16,-0.1 -2,-0.1 -13,-0.0 -0.451 18.1-156.9 -75.8 158.4 -13.4 14.9 10.3 90 431 A E - 0 0 76 1,-0.1 -1,-0.1 -2,-0.1 -17,-0.1 0.346 30.5-120.0-125.6 6.6 -16.7 14.0 8.7 91 432 A G - 0 0 12 159,-0.1 2,-0.3 163,-0.1 -1,-0.1 0.134 26.1 -96.5 78.8 161.3 -17.9 10.8 10.5 92 433 A Y E -F 251 0B 6 159,-1.9 159,-3.5 112,-0.0 2,-0.6 -0.818 32.8-104.6-116.4 159.8 -18.6 7.4 8.9 93 434 A L E -F 250 0B 38 -2,-0.3 111,-2.1 157,-0.2 2,-0.4 -0.752 23.8-146.2 -89.3 118.8 -21.9 5.8 7.7 94 435 A A E +FG 249 203B 0 155,-2.8 154,-3.5 -2,-0.6 155,-1.1 -0.640 30.3 175.6 -78.9 130.7 -23.5 3.1 9.9 95 436 A V E - G 0 202B 1 107,-2.7 107,-1.6 -2,-0.4 2,-0.5 -0.911 33.2-135.8-135.9 163.4 -25.2 0.5 7.7 96 437 A A E - G 0 201B 0 135,-0.4 135,-2.6 -2,-0.3 2,-0.4 -0.976 30.5-164.0-118.8 125.9 -27.0 -2.8 7.9 97 438 A V E +HG 230 200B 0 103,-2.4 103,-2.0 -2,-0.5 2,-0.3 -0.911 13.9 169.2-121.0 137.9 -25.9 -5.3 5.2 98 439 A V E -H 229 0B 0 131,-2.5 131,-2.3 -2,-0.4 2,-0.3 -0.868 42.2 -87.9-133.1 172.4 -27.5 -8.5 3.9 99 440 A K E > -H 228 0B 30 99,-0.5 3,-1.2 -2,-0.3 129,-0.3 -0.627 29.5-135.1 -79.8 138.2 -26.9 -10.9 0.9 100 441 A K T 3 S+ 0 0 72 127,-3.1 128,-0.1 -2,-0.3 -1,-0.1 0.919 106.7 60.2 -57.9 -38.3 -28.8 -9.8 -2.2 101 442 A A T 3 S+ 0 0 85 126,-0.5 2,-1.7 1,-0.2 -1,-0.2 0.623 82.3 83.7 -66.6 -11.6 -29.9 -13.5 -2.6 102 443 A N S X S- 0 0 55 -3,-1.2 3,-1.3 96,-0.1 -1,-0.2 -0.479 79.0-170.3 -86.4 60.8 -31.7 -13.3 0.8 103 444 A E T 3 + 0 0 156 -2,-1.7 3,-0.1 1,-0.2 -2,-0.1 -0.224 58.5 25.1 -61.1 143.9 -34.6 -11.8 -1.1 104 445 A G T 3 S+ 0 0 64 1,-0.3 2,-0.6 0, 0.0 -1,-0.2 0.506 84.9 125.9 79.1 -0.0 -37.6 -10.3 1.0 105 446 A L < + 0 0 4 -3,-1.3 -1,-0.3 93,-0.0 2,-0.2 -0.835 32.2 155.0 -86.5 123.0 -35.4 -9.5 4.1 106 447 A T > - 0 0 29 -2,-0.6 3,-1.6 -3,-0.1 4,-0.1 -0.793 61.4 -87.3-131.7-176.6 -35.8 -5.8 5.0 107 448 A W G > S+ 0 0 9 125,-0.5 3,-0.9 1,-0.3 4,-0.1 0.832 127.6 55.1 -56.8 -39.2 -35.4 -3.6 8.1 108 449 A N G 3 S+ 0 0 118 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.504 107.9 47.5 -78.7 -3.8 -39.0 -4.4 8.9 109 450 A S G < S+ 0 0 38 -3,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.162 74.7 109.7-123.0 25.1 -38.5 -8.3 8.7 110 451 A L X + 0 0 1 -3,-0.9 3,-1.9 -4,-0.1 -1,-0.1 0.647 45.2 115.0 -71.5 -17.7 -35.4 -8.6 10.9 111 452 A K T 3 S+ 0 0 100 1,-0.3 35,-0.2 -3,-0.1 3,-0.1 -0.319 85.8 7.6 -62.3 133.2 -37.2 -10.2 13.8 112 453 A D T 3 S+ 0 0 97 33,-2.8 -1,-0.3 1,-0.2 34,-0.2 0.473 102.7 121.5 73.7 7.0 -36.1 -13.8 14.5 113 454 A K < - 0 0 70 -3,-1.9 34,-1.6 32,-0.2 35,-0.6 -0.321 69.1 -98.3 -89.4 178.5 -33.2 -13.6 12.0 114 455 A K E -i 148 0B 63 32,-0.2 84,-1.9 33,-0.2 85,-1.4 -0.843 40.3-157.3-102.0 135.7 -29.4 -14.1 12.7 115 456 A S E -ij 149 199B 0 33,-2.0 35,-1.7 -2,-0.4 2,-0.5 -0.824 15.7-154.1-122.2 153.2 -27.2 -11.1 13.3 116 457 A e E -ij 150 200B 0 83,-2.0 85,-2.7 -2,-0.3 2,-0.3 -0.986 19.1-179.1-123.9 120.8 -23.5 -10.1 13.1 117 458 A H E - 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