==== 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 14-MAY-07 2PX1 . COMPND 2 MOLECULE: LACTOTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.MIR,G.VIKRAM,M.SINHA,S.SHARMA,P.KAUR,T.P.SINGH . 341 2 10 9 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14763.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 67.4 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 . 22 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 13.2 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 1 1 0 0 1 2 2 0 0 0 2 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 0 189 0, 0.0 2,-0.8 0, 0.0 264,-0.0 0.000 360.0 360.0 360.0 -18.9 8.0 13.1 29.9 2 343 A T + 0 0 80 2,-0.0 2,-0.6 26,-0.0 0, 0.0 0.263 360.0 86.7 -45.3 -2.9 9.1 11.4 26.7 3 344 A R - 0 0 140 -2,-0.8 2,-0.5 25,-0.1 25,-0.2 -0.819 56.7-163.9-100.7 118.1 8.2 7.8 27.0 4 345 A V E -a 28 0A 0 23,-2.6 25,-2.7 -2,-0.6 2,-0.7 -0.884 6.7-152.7-104.4 126.3 4.7 6.8 25.9 5 346 A V E -a 29 0A 36 -2,-0.5 44,-3.1 23,-0.2 45,-1.5 -0.868 13.2-157.7 -99.7 111.9 3.2 3.5 26.9 6 347 A W E -ab 30 50A 1 23,-3.6 25,-2.0 -2,-0.7 2,-0.6 -0.600 10.6-133.0 -87.3 149.1 0.7 2.2 24.4 7 348 A a E -a 31 0A 0 43,-2.3 2,-0.4 -2,-0.2 25,-0.2 -0.913 18.0-157.5-108.7 123.9 -2.0 -0.3 25.4 8 349 A A E -a 32 0A 0 23,-4.1 25,-2.4 -2,-0.6 2,-0.8 -0.805 9.5-142.3-103.1 140.0 -2.5 -3.2 23.1 9 350 A V E > S-a 33 0A 5 -2,-0.4 4,-0.5 23,-0.2 169,-0.5 -0.855 70.1 -14.5-101.5 106.3 -5.7 -5.3 23.0 10 351 A G H > S- 0 0 2 23,-2.6 4,-1.7 -2,-0.8 3,-0.2 0.055 90.6 -71.2 87.2 161.1 -4.9 -8.9 22.5 11 352 A P H > S+ 0 0 59 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.713 126.1 55.0 -63.3 -27.7 -1.6 -10.7 21.3 12 353 A E H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.916 111.1 43.6 -74.5 -43.4 -1.7 -9.6 17.7 13 354 A E H X S+ 0 0 32 -4,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.835 113.6 55.3 -67.9 -30.9 -1.9 -5.9 18.6 14 355 A Q H X S+ 0 0 68 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.958 106.2 48.9 -64.7 -49.7 0.8 -6.8 21.1 15 356 A K H X S+ 0 0 131 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.948 115.6 44.2 -55.1 -49.5 3.0 -8.3 18.4 16 357 A K H X S+ 0 0 9 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.925 110.8 54.1 -61.7 -46.3 2.5 -5.1 16.2 17 358 A b H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.863 106.9 51.4 -57.2 -38.1 3.0 -2.7 19.2 18 359 A Q H X S+ 0 0 98 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.875 108.4 51.5 -68.0 -35.7 6.4 -4.3 20.1 19 360 A Q H X S+ 0 0 89 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.922 110.9 48.5 -63.7 -44.1 7.5 -3.9 16.5 20 361 A W H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.820 112.0 51.1 -64.0 -31.6 6.5 -0.3 16.7 21 362 A S H >X>S+ 0 0 6 -4,-1.6 5,-2.3 -5,-0.2 4,-0.7 0.958 108.6 48.1 -71.7 -50.8 8.4 -0.1 20.0 22 363 A Q H ><5S+ 0 0 141 -4,-3.0 3,-1.0 1,-0.2 -2,-0.2 0.919 115.7 46.3 -51.0 -51.9 11.6 -1.6 18.7 23 364 A Q H 3<5S+ 0 0 60 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.682 107.4 57.6 -65.8 -25.1 11.5 0.8 15.7 24 365 A S H <<5S- 0 0 9 -4,-1.0 3,-0.3 -3,-0.5 -1,-0.2 0.521 113.7-111.2 -86.8 -7.6 10.6 3.8 17.9 25 366 A G T <<5S- 0 0 48 -3,-1.0 -3,-0.2 -4,-0.7 -2,-0.1 0.757 70.8 -64.3 78.5 29.6 13.8 3.5 20.0 26 367 A Q S S- 0 0 34 1,-0.1 4,-2.0 -27,-0.1 5,-0.1 -0.974 75.8-116.9-145.1 160.2 -9.9 -6.3 26.2 36 377 A T H > S+ 0 0 9 140,-0.5 4,-2.4 -2,-0.3 5,-0.2 0.935 116.7 55.5 -60.2 -46.2 -10.3 -2.6 25.3 37 378 A D H > S+ 0 0 45 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.896 107.7 49.7 -53.4 -43.3 -12.1 -2.0 28.7 38 379 A D H > S+ 0 0 79 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.884 108.8 51.6 -63.6 -39.0 -9.1 -3.5 30.4 39 380 A a H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.870 106.8 54.0 -65.2 -35.2 -6.8 -1.2 28.4 40 381 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.919 109.4 50.3 -61.9 -42.2 -9.0 1.7 29.6 41 382 A V H X S+ 0 0 38 -4,-2.1 4,-3.2 1,-0.2 5,-0.2 0.950 106.4 52.0 -63.0 -48.5 -8.3 0.5 33.1 42 383 A L H X>S+ 0 0 32 -4,-2.6 5,-2.5 1,-0.2 6,-1.3 0.849 112.9 46.9 -57.4 -33.9 -4.5 0.3 32.7 43 384 A V H ><5S+ 0 0 2 -4,-1.6 3,-0.8 4,-0.2 -1,-0.2 0.925 110.5 51.0 -73.1 -46.1 -4.6 3.9 31.4 44 385 A L H 3<5S+ 0 0 41 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.952 111.7 49.2 -54.3 -47.8 -6.8 5.0 34.3 45 386 A K H 3<5S- 0 0 114 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.704 116.4-117.9 -67.3 -16.5 -4.3 3.4 36.7 46 387 A G T <<5S+ 0 0 39 -3,-0.8 -3,-0.2 -4,-0.6 -2,-0.1 0.548 86.1 115.5 91.0 7.4 -1.5 5.1 35.0 47 388 A E S > - 0 0 3 -2,-0.3 4,-2.0 200,-0.2 3,-1.0 -0.354 48.3-102.2 -70.6 158.7 -13.9 3.3 18.6 55 396 A G H 3> S+ 0 0 0 197,-0.5 4,-2.0 1,-0.3 -1,-0.1 0.820 120.4 57.0 -51.6 -39.7 -16.5 5.9 19.6 56 397 A G H 3> S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.846 110.1 43.9 -65.1 -32.1 -18.4 3.5 22.0 57 398 A Y H <> S+ 0 0 11 -3,-1.0 4,-3.9 2,-0.2 -1,-0.2 0.814 108.2 58.8 -81.4 -28.1 -15.2 2.9 24.0 58 399 A I H X S+ 0 0 1 -4,-2.0 4,-3.6 2,-0.2 5,-0.2 0.889 104.1 52.7 -63.3 -39.4 -14.4 6.6 23.9 59 400 A Y H X S+ 0 0 14 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.973 113.4 41.8 -59.8 -53.1 -17.8 7.1 25.6 60 401 A T H X S+ 0 0 10 -4,-1.5 4,-0.9 1,-0.2 -2,-0.2 0.931 117.2 49.0 -57.8 -48.8 -16.8 4.5 28.3 61 402 A A H ><>S+ 0 0 0 -4,-3.9 5,-2.4 1,-0.2 3,-0.8 0.931 111.0 50.2 -57.9 -47.2 -13.3 6.0 28.5 62 403 A G H ><5S+ 0 0 7 -4,-3.6 3,-1.9 1,-0.3 -1,-0.2 0.836 102.4 58.2 -61.8 -38.5 -14.6 9.6 28.8 63 404 A K H 3<5S+ 0 0 56 -4,-2.1 277,-0.3 1,-0.3 -1,-0.3 0.760 107.1 51.3 -65.3 -19.9 -17.0 8.8 31.6 64 405 A c T <<5S- 0 0 23 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.361 129.2 -99.5 -94.8 4.1 -13.9 7.7 33.5 65 406 A G T < 5S+ 0 0 36 -3,-1.9 195,-0.7 1,-0.3 -3,-0.2 0.447 74.9 141.3 96.2 -2.3 -12.2 10.9 32.7 66 407 A L E < -D 259 0A 2 -5,-2.4 -1,-0.3 -6,-0.2 193,-0.2 -0.428 39.6-143.4 -72.6 153.2 -10.0 9.9 29.7 67 408 A V E -D 258 0A 44 191,-3.1 191,-2.0 -2,-0.1 2,-0.1 -0.944 14.4-109.6-125.4 143.3 -9.8 12.6 27.0 68 409 A P E +D 257 0A 12 0, 0.0 189,-0.2 0, 0.0 3,-0.1 -0.447 36.5 172.4 -65.2 137.8 -9.6 12.4 23.2 69 410 A V E - 0 0 6 187,-3.2 241,-0.5 1,-0.5 2,-0.3 0.757 61.2 -0.6-115.2 -56.4 -6.1 13.4 22.0 70 411 A L E -D 256 0A 0 186,-0.6 186,-3.3 239,-0.1 -1,-0.5 -0.986 66.3-140.5-138.8 146.7 -5.9 12.8 18.2 71 412 A A E -DE 255 308A 0 237,-2.1 237,-3.4 -2,-0.3 2,-0.3 -0.840 24.1-107.7-111.1 150.2 -8.5 11.3 15.8 72 413 A E E - E 0 307A 8 182,-3.1 2,-0.5 -2,-0.3 235,-0.2 -0.554 31.8-161.7 -71.3 132.2 -8.0 8.9 12.9 73 414 A N E - E 0 306A 2 233,-3.3 232,-2.4 -2,-0.3 233,-1.9 -0.975 6.8-161.0-121.0 118.6 -8.4 10.7 9.6 74 415 A R E - E 0 304A 45 -2,-0.5 2,-1.0 230,-0.3 230,-0.2 -0.249 42.0 -64.6 -87.6 178.2 -9.0 8.4 6.5 75 416 A K + 0 0 139 228,-0.8 2,-0.3 -2,-0.1 -1,-0.1 -0.526 65.0 164.3 -71.6 99.5 -8.6 9.2 2.8 76 417 A S - 0 0 18 -2,-1.0 -3,-0.0 1,-0.2 0, 0.0 -0.889 29.4-158.6-115.2 146.6 -11.1 11.9 2.0 77 418 A S + 0 0 106 -2,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.926 69.9 82.8 -87.9 -57.1 -11.0 14.1 -1.1 78 419 A K S S+ 0 0 135 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 -0.191 94.9 30.7 -51.5 136.1 -13.0 17.2 0.0 79 420 A H S S+ 0 0 77 8,-0.0 -1,-0.2 2,-0.0 -3,-0.1 0.966 79.8 160.6 71.9 63.7 -10.8 19.6 2.0 80 421 A S + 0 0 105 1,-0.1 4,-0.1 7,-0.0 -2,-0.1 0.596 56.1 59.1 -94.6 -12.3 -7.6 18.6 -0.0 81 422 A S S S+ 0 0 117 2,-0.1 -1,-0.1 3,-0.0 2,-0.1 0.833 87.9 86.2 -86.1 -32.0 -5.2 21.5 0.5 82 423 A L S S- 0 0 71 1,-0.1 5,-0.1 2,-0.1 2,-0.0 -0.408 91.7-103.4 -70.1 140.7 -5.0 21.2 4.3 83 424 A D >> - 0 0 113 1,-0.1 3,-1.5 -2,-0.1 4,-0.6 -0.350 29.1-119.3 -60.5 143.2 -2.6 18.7 5.8 84 425 A d G >4 S+ 0 0 11 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.878 114.2 62.4 -53.2 -39.3 -4.4 15.6 7.0 85 426 A V G 34 S+ 0 0 38 1,-0.3 224,-3.2 223,-0.2 -1,-0.3 0.779 113.8 32.5 -58.6 -29.6 -3.1 16.4 10.5 86 427 A L G <4 S+ 0 0 99 -3,-1.5 -1,-0.3 222,-0.2 -2,-0.2 0.284 95.3 112.8-110.6 7.6 -5.1 19.7 10.5 87 428 A R S << S- 0 0 15 -3,-1.1 3,-0.1 -4,-0.6 -8,-0.0 -0.639 74.3-112.7 -82.5 131.0 -8.0 18.4 8.3 88 429 A P - 0 0 69 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.299 34.2-110.2 -60.7 150.8 -11.4 18.1 10.1 89 430 A T - 0 0 52 221,-0.2 -16,-0.1 1,-0.1 -17,-0.0 -0.634 23.0-160.0 -82.3 139.9 -12.6 14.5 10.6 90 431 A E - 0 0 81 -2,-0.3 -1,-0.1 1,-0.2 2,-0.1 0.641 32.8-126.5 -95.8 -14.0 -15.6 13.6 8.4 91 432 A G - 0 0 6 159,-0.1 2,-0.3 163,-0.1 -1,-0.2 -0.195 22.0 -95.7 90.1 168.8 -16.8 10.6 10.3 92 433 A Y E -F 251 0B 5 159,-1.8 159,-3.6 -2,-0.1 2,-0.7 -0.902 31.0-107.8-125.7 158.1 -17.5 7.2 8.9 93 434 A L E -F 250 0B 29 -2,-0.3 111,-2.3 157,-0.2 2,-0.6 -0.758 21.5-150.4 -92.0 111.5 -20.7 5.6 7.7 94 435 A A E +FG 249 203B 1 155,-2.7 154,-3.7 -2,-0.7 155,-1.1 -0.692 31.3 173.3 -78.1 123.0 -22.2 2.9 9.9 95 436 A V E - 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0 0 27 -2,-0.6 3,-0.9 -3,-0.1 130,-0.1 -0.686 59.8 -91.2-126.8-177.8 -34.6 -5.8 4.6 107 448 A W G > S+ 0 0 7 125,-0.4 3,-1.2 129,-0.3 4,-0.2 0.911 127.6 54.7 -63.1 -39.1 -34.2 -3.7 7.8 108 449 A N G 3 S+ 0 0 117 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.606 106.8 51.0 -71.8 -11.0 -37.9 -4.6 8.5 109 450 A S G < S+ 0 0 41 -3,-0.9 -1,-0.3 1,-0.1 -2,-0.2 -0.056 77.1 103.4-115.3 33.9 -37.3 -8.3 8.2 110 451 A L X + 0 0 0 -3,-1.2 3,-2.3 -5,-0.1 -1,-0.1 0.773 45.4 113.8 -84.3 -28.9 -34.3 -8.6 10.6 111 452 A K T 3 S+ 0 0 128 1,-0.3 35,-0.2 -4,-0.2 34,-0.1 -0.161 90.1 6.6 -45.9 129.5 -36.1 -10.1 13.6 112 453 A D T 3 S+ 0 0 94 33,-3.1 -1,-0.3 1,-0.2 34,-0.2 0.650 101.3 127.0 67.3 16.9 -34.9 -13.7 14.2 113 454 A K < - 0 0 71 -3,-2.3 34,-1.2 32,-0.3 35,-0.8 -0.453 68.4 -98.8 -95.3 175.7 -32.1 -13.4 11.6 114 455 A K E -i 148 0B 68 32,-0.2 84,-3.7 33,-0.2 85,-1.7 -0.861 45.3-165.0 -96.4 124.8 -28.4 -14.2 12.2 115 456 A S E -ij 149 199B 0 33,-2.0 35,-1.6 -2,-0.5 2,-0.5 -0.778 17.5-150.5-114.9 156.1 -26.2 -11.1 12.8 116 457 A e E -ij 150 200B 1 83,-2.6 85,-3.0 -2,-0.3 2,-0.3 -0.949 17.1-176.5-127.0 115.1 -22.5 -10.1 12.9 117 458 A H E - 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