==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-SEP-11 3TUS . COMPND 2 MOLECULE: LACTOTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR P.K.SHUKLA,L.GAUTAM,A.SINGH,S.KAUSHIK,M.SINHA,A.BHUSHAN,P.KA . 341 2 10 9 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15463.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 65.4 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 . 17 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.0 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 0 1 1 0 0 1 3 1 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 0 153 0, 0.0 2,-0.3 0, 0.0 265,-0.1 0.000 360.0 360.0 360.0 147.5 38.7 14.8 26.8 2 343 A T - 0 0 68 263,-0.2 2,-0.1 25,-0.1 267,-0.0 -0.883 360.0 -54.2-175.7 179.3 39.4 11.4 28.2 3 344 A R - 0 0 135 -2,-0.3 2,-0.5 25,-0.1 25,-0.2 -0.429 49.9-138.9 -67.4 146.3 38.7 7.9 26.9 4 345 A V E -a 28 0A 0 23,-1.6 25,-2.2 -2,-0.1 2,-0.5 -0.939 7.5-148.2-110.2 124.8 35.0 7.1 26.0 5 346 A V E -a 29 0A 36 -2,-0.5 44,-2.1 23,-0.2 45,-1.4 -0.812 15.0-155.8 -90.8 130.4 33.7 3.7 27.0 6 347 A W E -ab 30 50A 2 23,-3.2 25,-2.6 -2,-0.5 2,-0.7 -0.838 10.8-132.4-105.6 145.7 31.0 2.5 24.5 7 348 A a E -a 31 0A 0 43,-1.6 2,-0.4 -2,-0.4 25,-0.2 -0.880 20.8-162.4-101.9 112.3 28.3 -0.0 25.5 8 349 A A E -a 32 0A 0 23,-3.4 25,-1.6 -2,-0.7 2,-0.8 -0.762 10.5-142.2 -94.5 138.7 27.9 -2.9 23.0 9 350 A V E -a 33 0A 7 -2,-0.4 169,-0.6 23,-0.2 4,-0.4 -0.850 67.9 -5.0-104.1 101.8 24.8 -5.0 23.0 10 351 A G S > S- 0 0 3 23,-1.7 4,-1.5 -2,-0.8 5,-0.1 -0.142 90.8 -76.4 102.1 161.5 25.5 -8.6 22.3 11 352 A P H > S+ 0 0 73 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.716 126.1 57.5 -66.6 -24.8 28.8 -10.5 21.3 12 353 A E H > S+ 0 0 48 2,-0.2 4,-2.0 1,-0.2 -2,-0.1 0.916 110.7 40.2 -73.7 -46.8 28.6 -9.3 17.7 13 354 A E H > S+ 0 0 31 -4,-0.4 4,-3.0 2,-0.2 5,-0.2 0.791 113.0 58.5 -70.2 -28.4 28.6 -5.6 18.6 14 355 A Q H X S+ 0 0 29 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.956 106.5 47.1 -63.1 -49.4 31.2 -6.5 21.3 15 356 A K H X S+ 0 0 133 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.906 115.3 46.4 -59.6 -42.5 33.4 -7.9 18.5 16 357 A K H X S+ 0 0 12 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.885 112.0 49.1 -69.0 -38.7 32.8 -4.7 16.5 17 358 A b H X S+ 0 0 0 -4,-3.0 4,-3.3 1,-0.2 -2,-0.2 0.957 106.1 56.8 -65.1 -50.2 33.5 -2.3 19.4 18 359 A Q H X S+ 0 0 111 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.830 108.6 49.2 -48.4 -39.5 36.7 -4.1 20.3 19 360 A Q H X S+ 0 0 88 -4,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.913 109.8 47.9 -67.2 -50.2 37.9 -3.4 16.8 20 361 A W H X S+ 0 0 0 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.928 114.0 51.0 -50.2 -47.8 37.0 0.2 16.8 21 362 A S H >X>S+ 0 0 8 -4,-3.3 5,-1.8 2,-0.2 3,-1.5 0.967 108.3 48.7 -58.3 -59.8 38.8 0.3 20.1 22 363 A Q H ><5S+ 0 0 131 -4,-3.0 3,-0.7 1,-0.3 -1,-0.2 0.892 115.8 46.3 -44.3 -47.2 41.9 -1.3 18.9 23 364 A Q H 3<5S+ 0 0 65 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.592 106.9 55.4 -74.6 -15.7 41.9 1.1 16.0 24 365 A S H <<5S- 0 0 14 -3,-1.5 -1,-0.2 -4,-1.0 -2,-0.2 0.467 114.5-116.5 -94.9 -0.4 41.2 4.2 18.1 25 366 A G T <<5S- 0 0 51 -4,-0.8 -3,-0.2 -3,-0.7 -2,-0.1 0.952 75.6 -50.7 63.1 52.4 44.4 3.2 20.1 26 367 A Q S S- 0 0 32 -27,-0.1 4,-1.4 1,-0.1 3,-0.2 -0.975 75.7-109.8-153.7 162.3 20.3 -6.0 26.3 36 377 A T H > S+ 0 0 9 140,-0.4 4,-1.8 -2,-0.3 5,-0.2 0.833 118.0 58.8 -63.5 -36.6 19.9 -2.3 25.6 37 378 A D H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 106.1 49.7 -61.3 -38.3 18.1 -1.9 29.0 38 379 A D H > S+ 0 0 78 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.866 110.5 49.4 -67.0 -36.0 21.3 -3.3 30.6 39 380 A a H X S+ 0 0 0 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.724 106.7 54.2 -73.0 -28.2 23.5 -0.8 28.7 40 381 A I H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.927 111.2 49.3 -67.5 -46.9 21.2 2.1 29.7 41 382 A V H X S+ 0 0 40 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.938 106.0 52.6 -57.9 -51.5 21.9 0.8 33.3 42 383 A L H X>S+ 0 0 28 -4,-2.5 5,-2.0 1,-0.2 4,-1.6 0.909 109.9 51.9 -53.9 -40.4 25.7 0.6 32.9 43 384 A V H <5S+ 0 0 2 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.900 107.6 49.6 -62.3 -44.1 25.7 4.3 31.7 44 385 A L H <5S+ 0 0 49 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.887 111.9 50.1 -61.8 -38.3 23.6 5.5 34.8 45 386 A K H <5S- 0 0 127 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.810 116.0-121.7 -70.1 -28.5 26.1 3.7 36.9 46 387 A G T <5S+ 0 0 44 -4,-1.6 -3,-0.2 -5,-0.3 -2,-0.1 0.510 82.4 115.4 100.1 6.7 28.9 5.4 35.1 47 388 A E S > - 0 0 3 -2,-0.4 4,-2.0 200,-0.2 3,-1.3 -0.394 45.4-105.5 -67.7 149.8 16.3 3.8 18.7 55 396 A G H 3> S+ 0 0 0 197,-0.5 4,-1.4 1,-0.3 5,-0.1 0.788 117.9 60.1 -46.4 -40.2 13.7 6.4 19.8 56 397 A G H 3> S+ 0 0 0 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.873 111.3 40.7 -58.9 -37.1 11.8 4.0 22.0 57 398 A Y H <> S+ 0 0 12 -3,-1.3 4,-3.1 2,-0.2 5,-0.3 0.833 105.0 63.9 -77.5 -36.8 14.9 3.4 24.1 58 399 A I H X S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.3 -1,-0.2 0.823 103.8 53.0 -54.3 -33.3 15.8 7.1 24.0 59 400 A Y H X S+ 0 0 11 -4,-1.4 4,-1.3 -5,-0.2 -1,-0.3 0.858 108.9 45.6 -71.7 -39.4 12.5 7.4 25.9 60 401 A T H X S+ 0 0 25 -4,-0.8 4,-0.8 -3,-0.2 3,-0.5 0.976 117.6 44.5 -65.7 -55.2 13.5 4.8 28.5 61 402 A A H <>S+ 0 0 0 -4,-3.1 5,-2.2 1,-0.2 3,-0.3 0.821 109.7 56.7 -56.3 -40.2 17.0 6.5 28.9 62 403 A G H ><5S+ 0 0 8 -4,-2.1 3,-1.5 -5,-0.3 -1,-0.2 0.840 101.4 53.7 -64.7 -38.2 15.5 10.0 28.9 63 404 A K H 3<5S+ 0 0 43 -4,-1.3 277,-0.3 -3,-0.5 -1,-0.2 0.743 110.9 50.1 -67.8 -22.8 13.2 9.4 31.9 64 405 A c T 3<5S- 0 0 21 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.216 127.3-100.7 -95.5 4.9 16.3 8.2 33.7 65 406 A G T < 5S+ 0 0 44 -3,-1.5 195,-0.6 1,-0.3 -3,-0.2 0.241 74.3 135.7 100.9 -19.0 18.2 11.4 32.7 66 407 A L E < -D 259 0A 4 -5,-2.2 -1,-0.3 193,-0.2 193,-0.3 -0.409 42.0-146.5 -66.7 144.6 20.4 10.4 29.8 67 408 A V E -D 258 0A 42 191,-2.8 191,-1.7 -2,-0.1 2,-0.3 -0.790 17.3-104.2-115.8 156.4 20.3 13.1 27.0 68 409 A P E +D 257 0A 12 0, 0.0 189,-0.3 0, 0.0 3,-0.1 -0.621 38.3 173.8 -77.7 140.1 20.6 12.9 23.2 69 410 A V E - 0 0 5 187,-3.1 241,-0.4 1,-0.5 2,-0.3 0.720 61.5 -4.6-114.7 -38.2 24.1 14.0 22.0 70 411 A L E -D 256 0A 0 186,-0.9 186,-2.8 239,-0.2 -1,-0.5 -0.931 68.4-139.5-160.4 144.1 24.4 13.5 18.3 71 412 A A E -DE 255 308A 0 237,-1.9 237,-2.9 -2,-0.3 184,-0.2 -0.753 23.1-100.6-114.0 158.5 21.9 11.9 15.9 72 413 A E E - E 0 307A 8 182,-2.5 2,-0.5 -2,-0.3 235,-0.2 -0.506 32.7-163.7 -73.3 138.7 22.2 9.5 12.9 73 414 A N E - E 0 306A 0 233,-2.1 232,-3.0 -2,-0.2 233,-1.5 -0.968 5.4-162.0-130.2 116.4 22.0 11.2 9.5 74 415 A R E - E 0 304A 37 -2,-0.5 230,-0.2 230,-0.2 3,-0.1 -0.459 46.9 -57.5 -92.9 168.0 21.3 9.0 6.5 75 416 A K S S- 0 0 171 228,-0.8 -1,-0.2 -2,-0.1 2,-0.0 -0.178 71.5-110.9 -46.4 123.9 21.9 9.9 2.7 76 417 A S - 0 0 23 4,-0.2 -1,-0.1 1,-0.1 4,-0.0 -0.294 10.2-132.7 -68.3 140.9 19.9 13.0 2.2 77 418 A S S S+ 0 0 99 -3,-0.1 -1,-0.1 2,-0.1 2,-0.1 0.957 87.3 24.2 -53.0 -57.2 16.8 13.0 0.0 78 419 A K S S- 0 0 148 1,-0.0 2,-1.9 -3,-0.0 -2,-0.1 -0.277 105.3 -70.0-105.9-173.2 17.8 16.1 -1.9 79 420 A H + 0 0 182 -2,-0.1 2,-0.7 2,-0.1 -2,-0.1 -0.550 62.5 155.0 -85.3 77.0 20.9 18.0 -2.9 80 421 A S + 0 0 42 -2,-1.9 -4,-0.2 1,-0.1 7,-0.1 -0.942 11.7 166.5-106.1 111.1 21.9 19.4 0.5 81 422 A S + 0 0 102 -2,-0.7 2,-0.6 2,-0.1 -1,-0.1 0.211 46.6 112.3-104.6 3.8 25.7 20.0 0.4 82 423 A L S S- 0 0 108 1,-0.2 5,-0.1 -3,-0.1 -2,-0.0 -0.753 93.2 -73.7 -69.6 120.4 25.2 22.1 3.6 83 424 A D > - 0 0 97 -2,-0.6 4,-2.7 3,-0.1 3,-0.3 0.361 25.8-134.3 -38.0 146.1 27.0 19.6 5.8 84 425 A d T 4 S+ 0 0 9 1,-0.2 -1,-0.1 2,-0.2 222,-0.1 0.849 110.0 54.7 -61.3 -37.9 25.9 16.3 7.1 85 426 A V T 4 S+ 0 0 28 1,-0.2 224,-3.1 223,-0.2 -1,-0.2 0.804 122.0 27.8 -68.9 -26.3 27.2 17.3 10.5 86 427 A L T 4 S+ 0 0 113 -3,-0.3 -2,-0.2 222,-0.2 -1,-0.2 0.559 95.5 106.1-110.0 -17.1 25.0 20.4 10.5 87 428 A R S < S- 0 0 10 -4,-2.7 2,-0.2 -5,-0.1 222,-0.0 -0.483 79.3-109.9 -69.3 131.5 22.2 19.3 8.2 88 429 A P - 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.449 34.1-110.2 -66.0 132.4 19.0 18.6 10.2 89 430 A T - 0 0 48 -2,-0.2 -16,-0.1 1,-0.1 -13,-0.0 -0.062 20.3-145.4 -56.1 159.7 18.0 14.9 10.4 90 431 A E - 0 0 66 -16,-0.1 -1,-0.1 161,-0.0 2,-0.1 0.830 29.0-119.1-102.5 -32.9 14.9 13.8 8.5 91 432 A G - 0 0 8 163,-0.1 2,-0.2 159,-0.1 159,-0.0 0.108 29.7-109.0 97.9 139.0 13.2 11.1 10.5 92 433 A Y E -F 251 0B 3 159,-2.3 159,-3.8 -2,-0.1 2,-0.4 -0.682 30.4-105.1-102.4 161.3 12.9 7.6 9.0 93 434 A L E -F 250 0B 30 -2,-0.2 111,-1.6 157,-0.2 2,-0.6 -0.698 22.0-147.0 -89.9 131.7 9.6 6.0 7.7 94 435 A A E +FG 249 203B 1 155,-3.0 154,-3.8 -2,-0.4 155,-1.0 -0.865 29.7 171.9 -98.8 123.7 7.9 3.3 9.7 95 436 A V E - G 0 202B 2 107,-2.5 107,-0.9 -2,-0.6 2,-0.5 -0.771 34.1-131.7-127.9 169.1 6.2 0.8 7.5 96 437 A A E - G 0 201B 1 -2,-0.2 135,-2.3 135,-0.2 2,-0.4 -0.997 30.0-163.3-122.3 124.6 4.4 -2.6 7.5 97 438 A V E +HG 230 200B 0 103,-2.9 103,-2.0 -2,-0.5 2,-0.3 -0.928 13.1 170.3-118.8 137.4 5.5 -5.0 4.9 98 439 A V E -HG 229 199B 0 131,-2.0 131,-2.4 -2,-0.4 2,-0.3 -0.816 40.3 -92.5-131.5 169.5 4.0 -8.2 3.5 99 440 A K E > -H 228 0B 36 99,-0.5 3,-0.9 -2,-0.3 129,-0.3 -0.671 28.2-134.1 -81.0 139.0 4.5 -10.6 0.7 100 441 A K T 3 S+ 0 0 83 127,-2.4 128,-0.1 -2,-0.3 -1,-0.1 0.849 105.2 64.4 -64.5 -33.1 2.6 -9.8 -2.5 101 442 A A T 3 S+ 0 0 84 126,-0.4 2,-2.2 1,-0.2 -1,-0.2 0.769 81.6 80.5 -60.3 -28.5 1.6 -13.4 -2.7 102 443 A N S X S+ 0 0 56 -3,-0.9 3,-0.9 1,-0.2 -1,-0.2 -0.582 72.2 177.8 -81.8 81.8 -0.4 -13.1 0.6 103 444 A E T 3 + 0 0 161 -2,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.773 61.2 47.2 -59.5 -43.0 -3.2 -11.5 -1.4 104 445 A G T 3 S+ 0 0 67 -3,-0.2 2,-0.5 5,-0.0 -1,-0.2 0.499 83.3 119.7 -86.5 4.6 -6.0 -10.7 0.9 105 446 A L < + 0 0 4 -3,-0.9 2,-0.3 -5,-0.1 5,-0.1 -0.532 28.0 145.4 -83.0 119.7 -3.9 -9.1 3.6 106 447 A T > - 0 0 30 -2,-0.5 3,-2.5 125,-0.1 4,-0.1 -0.867 64.4 -91.2-136.1 169.8 -4.5 -5.5 4.6 107 448 A W G > S+ 0 0 8 125,-0.5 3,-0.9 129,-0.3 4,-0.1 0.814 125.8 56.9 -50.2 -35.0 -4.3 -3.5 7.8 108 449 A N G 3 S+ 0 0 116 1,-0.2 -1,-0.3 127,-0.1 3,-0.1 0.552 108.8 45.4 -78.2 -8.4 -8.0 -4.3 8.4 109 450 A S G < S+ 0 0 40 -3,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.086 75.9 106.9-122.6 26.8 -7.3 -8.0 8.3 110 451 A L X + 0 0 1 -3,-0.9 3,-2.1 -4,-0.1 -1,-0.1 0.670 45.3 117.4 -77.9 -15.1 -4.2 -8.4 10.5 111 452 A K T 3 S+ 0 0 103 1,-0.3 35,-0.2 -4,-0.1 34,-0.1 -0.289 86.2 6.2 -55.5 135.0 -6.1 -9.9 13.4 112 453 A D T 3 S+ 0 0 89 33,-3.2 -1,-0.3 1,-0.2 34,-0.2 0.517 100.5 123.7 68.3 13.8 -4.8 -13.5 14.0 113 454 A K < - 0 0 63 -3,-2.1 34,-1.9 32,-0.2 35,-0.8 -0.292 66.9 -95.2 -91.9 179.6 -1.9 -13.3 11.5 114 455 A K E -i 148 0B 60 32,-0.2 84,-2.4 33,-0.2 85,-1.7 -0.865 42.7-161.9-101.8 130.6 1.7 -13.9 12.2 115 456 A S E -ij 149 199B 0 33,-1.9 35,-1.2 -2,-0.5 2,-0.5 -0.772 17.6-153.8-119.8 157.8 4.0 -11.0 12.9 116 457 A e E -ij 150 200B 0 83,-1.7 85,-2.1 -2,-0.3 2,-0.4 -0.967 16.5-174.1-129.9 116.4 7.7 -10.0 12.9 117 458 A H E - 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