==== 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-APR-08 2ZMB . COMPND 2 MOLECULE: LACTOTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.JAIN,R.MIR,M.SINHA,N.SINGH,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) . 15364.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 64.8 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 . 34 10.0 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 . 16 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 23.5 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 1 2 3 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 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 0 235 0, 0.0 2,-1.4 0, 0.0 264,-0.0 0.000 360.0 360.0 360.0 -57.0 38.9 13.1 30.6 2 343 A T + 0 0 85 1,-0.0 2,-0.5 2,-0.0 0, 0.0 0.257 360.0 96.4 39.1 -2.3 39.3 12.2 26.9 3 344 A R - 0 0 131 -2,-1.4 2,-0.4 25,-0.0 25,-0.2 -0.960 55.0-160.7-117.4 130.7 38.6 8.4 27.1 4 345 A V E -a 28 0A 0 23,-2.2 25,-2.2 -2,-0.5 2,-0.6 -0.882 9.2-149.9-112.2 135.5 35.1 7.0 26.3 5 346 A V E -a 29 0A 24 -2,-0.4 44,-2.7 23,-0.2 45,-1.5 -0.918 17.5-155.2-103.5 120.3 33.8 3.6 27.3 6 347 A W E -ab 30 50A 2 23,-3.4 25,-2.1 -2,-0.6 2,-0.6 -0.796 9.0-135.3 -98.5 136.5 31.2 2.3 24.8 7 348 A a E -a 31 0A 1 43,-2.1 2,-0.4 -2,-0.4 45,-0.2 -0.808 19.7-162.7 -94.1 122.5 28.5 -0.2 25.7 8 349 A A E -a 32 0A 0 23,-3.2 25,-2.0 -2,-0.6 2,-0.7 -0.869 11.5-139.3-106.8 137.3 28.0 -3.1 23.2 9 350 A V E -a 33 0A 10 -2,-0.4 4,-0.4 23,-0.2 169,-0.4 -0.843 68.2 -9.9 -99.5 113.0 24.9 -5.3 23.2 10 351 A G S > S- 0 0 2 23,-2.3 4,-1.1 -2,-0.7 3,-0.1 -0.021 90.9 -73.9 88.6 163.4 25.6 -8.9 22.6 11 352 A P H > S+ 0 0 61 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.763 125.7 56.3 -66.0 -31.0 28.9 -10.7 21.5 12 353 A E H > S+ 0 0 63 2,-0.2 4,-1.1 1,-0.2 -2,-0.1 0.865 109.5 45.0 -71.9 -36.6 28.8 -9.6 17.8 13 354 A E H > S+ 0 0 35 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.769 111.4 55.8 -74.9 -26.4 28.7 -5.9 18.8 14 355 A Q H X S+ 0 0 64 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.918 104.6 51.0 -70.9 -44.0 31.4 -6.5 21.3 15 356 A K H X S+ 0 0 122 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.841 112.0 47.5 -65.6 -30.4 33.8 -8.0 18.8 16 357 A K H X S+ 0 0 11 -4,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.882 109.7 54.3 -75.2 -37.0 33.3 -5.0 16.5 17 358 A b H X S+ 0 0 0 -4,-1.8 4,-3.1 1,-0.2 -2,-0.2 0.926 104.3 53.4 -62.1 -44.1 33.8 -2.6 19.4 18 359 A Q H X S+ 0 0 102 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.832 107.3 52.6 -60.3 -33.6 37.1 -4.2 20.3 19 360 A Q H X S+ 0 0 86 -4,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.889 111.7 45.7 -67.9 -38.6 38.3 -3.6 16.8 20 361 A W H X S+ 0 0 0 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.898 112.1 51.9 -68.2 -42.0 37.3 -0.0 17.1 21 362 A S H X>S+ 0 0 9 -4,-3.1 5,-2.0 2,-0.2 4,-0.7 0.882 109.6 50.1 -59.7 -42.7 39.0 0.1 20.5 22 363 A Q H ><5S+ 0 0 137 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.923 112.6 44.2 -61.4 -52.3 42.2 -1.3 18.9 23 364 A Q H 3<5S+ 0 0 69 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.687 111.1 56.3 -69.3 -21.4 42.3 1.2 16.0 24 365 A S H 3<5S- 0 0 14 -4,-1.3 -1,-0.2 4,-0.2 -2,-0.2 0.657 110.2-123.3 -84.2 -17.6 41.5 4.0 18.4 25 366 A G T <<5S- 0 0 47 -3,-0.7 -3,-0.2 -4,-0.7 -2,-0.1 0.955 72.7 -47.5 72.5 51.5 44.5 3.2 20.6 26 367 A Q S S- 0 0 34 -27,-0.1 4,-1.1 1,-0.1 -25,-0.1 -0.935 77.1-118.6-142.1 166.1 20.4 -6.4 26.6 36 377 A T H > S+ 0 0 8 140,-0.4 4,-1.8 -2,-0.3 5,-0.1 0.868 114.7 57.5 -70.8 -37.8 19.9 -2.7 25.8 37 378 A D H > S+ 0 0 52 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.884 105.6 50.3 -59.6 -40.0 18.3 -2.2 29.2 38 379 A D H > S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.820 106.6 54.7 -68.6 -31.9 21.4 -3.5 30.9 39 380 A a H X S+ 0 0 0 -4,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.881 106.4 52.1 -66.8 -37.5 23.6 -1.2 28.9 40 381 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.930 108.0 51.5 -62.4 -45.6 21.5 1.8 30.1 41 382 A V H X S+ 0 0 37 -4,-1.9 4,-3.0 1,-0.2 5,-0.2 0.921 108.1 52.0 -56.2 -46.8 22.0 0.6 33.7 42 383 A L H X>S+ 0 0 30 -4,-2.1 5,-2.0 1,-0.2 6,-1.4 0.864 109.7 48.8 -59.2 -37.9 25.8 0.5 33.1 43 384 A V H <5S+ 0 0 1 -4,-1.8 -1,-0.2 4,-0.2 -2,-0.2 0.852 111.8 49.3 -71.9 -32.7 25.7 4.1 31.8 44 385 A L H <5S+ 0 0 49 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.927 110.1 50.5 -68.8 -46.2 23.7 5.2 34.8 45 386 A K H <5S- 0 0 115 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.736 115.7-119.5 -62.9 -23.8 26.1 3.5 37.1 46 387 A G T <5S+ 0 0 39 -4,-1.0 -3,-0.2 2,-0.3 -4,-0.1 0.531 84.4 116.3 94.1 9.3 28.9 5.3 35.3 47 388 A E S > - 0 0 6 -2,-0.3 4,-1.5 200,-0.2 3,-1.0 -0.564 42.0-108.3 -81.2 150.7 16.6 3.5 19.0 55 396 A G H 3> S+ 0 0 0 197,-0.5 4,-1.4 1,-0.3 3,-0.2 0.859 117.3 61.9 -49.6 -41.2 14.0 6.1 19.9 56 397 A G H 3> S+ 0 0 1 1,-0.3 4,-0.9 2,-0.2 3,-0.4 0.892 108.5 42.0 -54.2 -41.5 12.0 3.6 21.9 57 398 A Y H <> S+ 0 0 14 -3,-1.0 4,-2.8 1,-0.2 -1,-0.3 0.751 104.1 66.5 -78.5 -22.7 14.9 3.1 24.2 58 399 A I H X S+ 0 0 1 -4,-1.5 4,-1.9 -3,-0.2 -1,-0.2 0.791 97.3 55.2 -67.5 -27.3 15.6 6.8 24.4 59 400 A Y H X S+ 0 0 20 -4,-1.4 4,-1.7 -3,-0.4 -1,-0.2 0.911 110.1 46.4 -68.9 -42.7 12.3 7.2 26.1 60 401 A T H >X S+ 0 0 18 -4,-0.9 3,-0.6 1,-0.2 4,-0.5 0.981 115.3 44.1 -60.5 -59.1 13.4 4.7 28.8 61 402 A A H ><>S+ 0 0 1 -4,-2.8 5,-2.4 1,-0.2 3,-0.9 0.825 109.0 60.8 -56.2 -34.4 16.9 6.3 29.2 62 403 A G H ><5S+ 0 0 8 -4,-1.9 3,-1.9 1,-0.3 -1,-0.2 0.895 98.9 53.2 -62.5 -42.7 15.3 9.7 29.2 63 404 A K H <<5S+ 0 0 66 -4,-1.7 -1,-0.3 -3,-0.6 -2,-0.2 0.592 108.0 54.7 -68.9 -9.2 13.2 9.0 32.3 64 405 A c T <<5S- 0 0 22 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.250 124.8-100.9-106.5 9.2 16.4 8.0 34.0 65 406 A G T < 5S+ 0 0 41 -3,-1.9 195,-0.8 1,-0.3 -3,-0.2 0.445 75.3 137.6 88.9 -0.8 18.2 11.3 33.2 66 407 A L E < -D 259 0A 4 -5,-2.4 -1,-0.3 193,-0.2 193,-0.2 -0.457 39.0-148.8 -75.2 157.1 20.3 10.2 30.2 67 408 A V E -D 258 0A 41 191,-3.3 191,-1.9 -2,-0.1 2,-0.2 -0.952 15.7-107.7-132.1 148.9 20.4 12.7 27.4 68 409 A P E +D 257 0A 11 0, 0.0 189,-0.3 0, 0.0 3,-0.1 -0.545 34.0 173.7 -73.7 134.9 20.7 12.5 23.5 69 410 A V E - 0 0 7 187,-3.5 241,-0.4 1,-0.4 2,-0.3 0.824 61.0 -1.6-107.3 -54.8 24.1 13.7 22.3 70 411 A L E -D 256 0A 1 186,-0.9 186,-3.2 239,-0.1 -1,-0.4 -0.980 64.5-141.5-142.0 150.2 24.4 13.1 18.5 71 412 A A E -DE 255 308A 0 237,-1.9 237,-3.1 -2,-0.3 2,-0.3 -0.739 23.9-105.2-112.9 159.3 22.0 11.5 16.0 72 413 A E E - E 0 307A 9 182,-2.6 2,-0.4 -2,-0.3 235,-0.2 -0.617 35.8-166.8 -79.9 143.6 22.5 9.2 13.0 73 414 A N E - E 0 306A 2 233,-1.8 232,-2.7 -2,-0.3 233,-1.6 -0.996 2.0-160.7-136.7 129.1 22.1 11.0 9.6 74 415 A R E - E 0 304A 51 -2,-0.4 2,-0.3 230,-0.2 230,-0.1 -0.650 37.0 -80.8-106.0 165.0 21.8 9.3 6.3 75 416 A K + 0 0 112 228,-0.5 2,-0.3 -2,-0.2 -1,-0.1 -0.483 55.3 177.9 -68.1 122.2 22.3 10.6 2.7 76 417 A S - 0 0 35 -2,-0.3 -1,-0.0 3,-0.2 -3,-0.0 -0.768 37.3-132.4-122.7 167.6 19.4 12.6 1.5 77 418 A S S S+ 0 0 117 -2,-0.3 3,-0.3 3,-0.0 2,-0.2 0.890 91.0 66.4 -84.2 -45.2 18.5 14.6 -1.7 78 419 A K S S+ 0 0 135 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 -0.538 99.7 30.9 -77.9 144.7 17.1 17.7 0.1 79 420 A H + 0 0 56 -2,-0.2 -1,-0.2 8,-0.0 -3,-0.2 0.963 68.5 146.3 71.5 56.0 19.7 19.7 2.1 80 421 A S + 0 0 102 -3,-0.3 -2,-0.1 1,-0.1 4,-0.1 0.782 62.8 64.2 -89.2 -32.5 22.7 19.0 -0.1 81 422 A S S S+ 0 0 112 2,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.820 93.4 73.5 -62.1 -33.3 24.3 22.4 0.4 82 423 A L S S- 0 0 69 1,-0.1 2,-0.1 2,-0.1 5,-0.0 -0.487 89.3-110.2 -83.5 152.8 24.8 21.8 4.1 83 424 A D > - 0 0 114 -2,-0.2 4,-1.4 1,-0.1 3,-0.3 -0.401 31.9-108.3 -76.6 160.9 27.5 19.4 5.6 84 425 A d T 4 S+ 0 0 6 1,-0.2 222,-0.1 2,-0.2 -1,-0.1 0.812 113.1 51.0 -60.6 -36.3 26.3 16.2 7.2 85 426 A V T 4 S+ 0 0 25 1,-0.2 224,-2.1 223,-0.2 -1,-0.2 0.834 117.1 37.5 -74.1 -33.5 27.1 17.1 10.8 86 427 A L T 4 S+ 0 0 125 -3,-0.3 -1,-0.2 222,-0.2 -2,-0.2 0.603 96.1 106.8 -91.1 -14.6 25.2 20.5 10.8 87 428 A R S < S- 0 0 19 -4,-1.4 -8,-0.0 1,-0.1 -7,-0.0 -0.440 76.2-112.8 -69.4 134.6 22.4 19.1 8.6 88 429 A P - 0 0 70 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.256 31.9-106.4 -65.8 151.6 19.1 18.4 10.3 89 430 A T - 0 0 58 221,-0.1 -16,-0.1 1,-0.1 -17,-0.0 -0.601 23.0-164.4 -81.2 141.0 17.8 14.8 10.7 90 431 A E - 0 0 89 -2,-0.3 -1,-0.1 -16,-0.1 -17,-0.1 0.701 32.6-136.2 -96.8 -23.0 14.9 13.7 8.4 91 432 A G - 0 0 10 163,-0.1 2,-0.2 159,-0.1 -18,-0.0 0.278 16.7 -91.8 80.0 148.8 13.9 10.6 10.3 92 433 A Y E -F 251 0B 5 159,-1.0 159,-3.0 1,-0.0 2,-0.5 -0.497 34.1-109.0 -96.7 167.0 13.0 7.2 8.9 93 434 A L E -F 250 0B 15 157,-0.2 111,-1.8 -2,-0.2 2,-0.4 -0.848 19.6-144.3-101.3 123.1 9.7 5.7 7.9 94 435 A A E +FG 249 203B 0 155,-2.8 154,-2.4 -2,-0.5 155,-1.1 -0.691 33.3 169.1 -81.7 129.5 8.0 3.0 9.9 95 436 A V E - G 0 202B 1 107,-2.1 107,-0.6 -2,-0.4 2,-0.5 -0.823 36.0-127.0-135.5 175.2 6.2 0.5 7.7 96 437 A A E - G 0 201B 0 135,-0.3 135,-2.1 -2,-0.3 2,-0.4 -0.995 30.6-161.2-124.4 120.2 4.4 -2.9 7.6 97 438 A V E +HG 230 200B 0 103,-2.9 103,-2.0 -2,-0.5 2,-0.3 -0.843 14.5 167.6-113.3 146.8 5.7 -5.3 5.0 98 439 A V E -H 229 0B 0 131,-2.3 131,-2.4 -2,-0.4 2,-0.3 -0.892 40.0 -90.8-141.8 168.7 4.1 -8.4 3.5 99 440 A K E > -H 228 0B 30 99,-0.5 3,-0.7 -2,-0.3 129,-0.3 -0.636 27.2-135.7 -83.1 143.2 4.7 -10.9 0.6 100 441 A K T 3 S+ 0 0 103 127,-3.1 -1,-0.1 -2,-0.3 128,-0.1 0.919 105.3 59.5 -63.1 -43.1 2.9 -10.0 -2.7 101 442 A A T 3 S+ 0 0 81 126,-0.4 2,-2.0 1,-0.2 -1,-0.2 0.718 85.5 82.7 -57.2 -24.4 1.9 -13.6 -3.1 102 443 A N S X S- 0 0 56 -3,-0.7 3,-0.9 96,-0.1 -1,-0.2 -0.514 76.5-172.7 -83.5 72.3 0.0 -13.4 0.2 103 444 A E T 3 + 0 0 155 -2,-2.0 3,-0.1 1,-0.2 -2,-0.1 -0.151 56.8 28.0 -66.6 159.3 -3.0 -11.7 -1.4 104 445 A G T 3 S+ 0 0 65 1,-0.2 2,-0.8 0, 0.0 -1,-0.2 0.543 82.9 127.7 68.6 7.2 -6.0 -10.3 0.6 105 446 A L < + 0 0 5 -3,-0.9 2,-0.2 3,-0.0 -1,-0.2 -0.845 30.9 152.9 -99.2 105.1 -3.8 -9.5 3.6 106 447 A T > - 0 0 30 -2,-0.8 3,-2.0 -3,-0.1 131,-0.1 -0.678 62.5 -86.3-121.9 178.9 -4.4 -5.9 4.5 107 448 A W G > S+ 0 0 10 125,-0.4 3,-0.8 129,-0.3 4,-0.1 0.811 127.5 55.0 -54.7 -31.3 -4.2 -3.8 7.7 108 449 A N G 3 S+ 0 0 122 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.597 107.1 49.2 -81.2 -10.3 -7.7 -4.8 8.4 109 450 A S G < S+ 0 0 41 -3,-2.0 -1,-0.2 1,-0.1 -2,-0.2 -0.016 75.7 105.7-118.0 31.4 -7.0 -8.5 8.2 110 451 A L X + 0 0 3 -3,-0.8 3,-1.8 -5,-0.1 -1,-0.1 0.722 47.4 112.0 -81.4 -22.0 -3.9 -8.7 10.5 111 452 A K T 3 S+ 0 0 107 1,-0.3 35,-0.2 -3,-0.2 3,-0.1 -0.249 87.2 8.7 -58.4 135.2 -5.7 -10.3 13.5 112 453 A D T 3 S+ 0 0 93 33,-2.8 -1,-0.3 1,-0.2 34,-0.2 0.692 103.6 121.4 68.1 19.1 -4.7 -13.9 14.2 113 454 A K < - 0 0 69 -3,-1.8 34,-1.7 32,-0.2 35,-0.7 -0.454 69.3 -98.0-100.1 177.7 -1.8 -13.6 11.6 114 455 A K E -i 148 0B 63 32,-0.2 84,-2.4 33,-0.2 85,-1.5 -0.858 41.2-163.7-104.2 135.4 1.9 -14.1 12.3 115 456 A S E -ij 149 199B 0 33,-1.7 35,-1.0 -2,-0.4 2,-0.4 -0.771 18.1-150.1-121.0 163.3 4.2 -11.2 12.9 116 457 A e E -ij 150 200B 0 83,-1.3 85,-2.8 -2,-0.3 2,-0.4 -0.969 18.2-175.2-132.1 114.9 7.8 -10.2 13.0 117 458 A H E - 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