Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3klg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG ILE 2.A O no hydrogen 2.048 N/A VAL 10.A N ASP 121.A OD2 no hydrogen 3.063 N/A LYS 11.A N GLN 85.A OE1 no hydrogen 2.963 N/A LYS 13.A N ARG 83.A O no hydrogen 2.588 N/A MET 16.A N LYS 13.A O no hydrogen 3.187 N/A VAL 21.A N ASN 57.A O no hydrogen 3.208 N/A ILE 31.A N THR 27.A O no hydrogen 3.277 N/A ALA 33.A N LYS 30.A O no hydrogen 2.881 N/A LEU 34.A N ILE 31.A O no hydrogen 3.025 N/A VAL 35.A N ILE 31.A O no hydrogen 2.862 N/A ILE 37.A N LEU 34.A O no hydrogen 2.691 N/A CYS 38.A N LEU 34.A O no hydrogen 2.883 N/A CYS 38.A SG LEU 34.A O no hydrogen 3.268 N/A THR 39.A N VAL 35.A O no hydrogen 3.402 N/A THR 39.A OG1 VAL 35.A O no hydrogen 3.352 N/A LEU 41.A N ILE 37.A O no hydrogen 3.166 N/A GLU 42.A N CYS 38.A O no hydrogen 3.041 N/A LYS 43.A N THR 39.A O no hydrogen 3.118 N/A GLU 44.A N GLU 40.A O no hydrogen 3.364 N/A GLU 44.A N LEU 41.A O no hydrogen 3.098 N/A GLY 45.A N GLU 42.A O no hydrogen 3.426 N/A LYS 46.A N LEU 41.A O no hydrogen 2.991 N/A LYS 46.A NZ GLU 44.A OE1 no hydrogen 3.352 N/A ILE 50.A N ARG 143.A O no hydrogen 3.178 N/A ASN 54.A ND2 TYR 56.A O no hydrogen 3.600 N/A ASN 54.A ND2 LYS 126.A O no hydrogen 3.549 N/A TYR 56.A OH ASP 17.A OD2 no hydrogen 2.510 N/A ASN 57.A N PRO 19.A O no hydrogen 3.023 N/A PHE 61.A N LEU 74.A O no hydrogen 2.904 N/A ILE 63.A N ARG 72.A O no hydrogen 3.193 N/A LYS 65.A N ARG 70.A O no hydrogen 2.913 N/A LYS 73.A NZ TYR 146.A OH no hydrogen 3.261 N/A ASP 76.A N PRO 59.A O no hydrogen 2.932 N/A LEU 80.A N PHE 77.A O no hydrogen 2.657 N/A ASN 81.A N PHE 77.A O no hydrogen 2.861 N/A ARG 83.A N LEU 80.A O no hydrogen 2.251 N/A THR 84.A OG1 LEU 80.A O no hydrogen 3.494 N/A GLN 85.A N LYS 11.A O no hydrogen 3.250 N/A GLN 91.A NE2 LEU 92.A O no hydrogen 3.101 N/A ALA 98.A N HIS 96.A ND1 no hydrogen 3.040 N/A GLY 99.A N HIS 96.A O no hydrogen 2.924 N/A LYS 102.A NZ PRO 236.A O no hydrogen 3.566 N/A LYS 102.A NZ ASP 237.A OD2 no hydrogen 2.895 N/A LYS 104.A N ASP 192.A OD1 no hydrogen 3.216 N/A SER 105.A N SER 191.A O no hydrogen 3.119 N/A THR 107.A N VAL 189.A O no hydrogen 3.028 N/A LEU 109.A N LEU 187.A O no hydrogen 3.378 N/A PHE 116.A N ASP 113.A O no hydrogen 3.281 N/A SER 117.A OG ALA 114.A O no hydrogen 3.375 N/A PHE 124.A N ASP 121.A O no hydrogen 3.377 N/A ARG 125.A N GLU 122.A O no hydrogen 3.341 N/A ARG 125.A NE LEU 120.A O no hydrogen 2.889 N/A ARG 125.A NE ASP 121.A O no hydrogen 2.973 N/A ARG 125.A NH2 LEU 120.A O no hydrogen 2.867 N/A TYR 127.A N PHE 124.A O no hydrogen 3.334 N/A THR 128.A N ARG 125.A O no hydrogen 3.091 N/A THR 128.A OG1 ARG 125.A O no hydrogen 2.760 N/A ILE 132.A N ILE 142.A O no hydrogen 2.997 N/A SER 134.A OG THR 139.A O no hydrogen 3.056 N/A GLN 145.A N SER 48.A O no hydrogen 3.066 N/A TYR 146.A N THR 128.A OG1 no hydrogen 3.112 N/A ASN 147.A N GLN 145.A O no hydrogen 2.714 N/A ASN 147.A ND2 GLY 45.A O no hydrogen 3.614 N/A LEU 149.A N VAL 118.A O no hydrogen 3.256 N/A TRP 153.A NE1 THR 84.A OG1 no hydrogen 3.048 N/A LYS 154.A NZ ASN 81.A O no hydrogen 2.840 N/A LYS 154.A NZ THR 84.A O no hydrogen 3.459 N/A LYS 154.A NZ ASP 86.A OD1 no hydrogen 2.979 N/A ALA 158.A N GLY 155.A O no hydrogen 2.805 N/A PHE 160.A N SER 156.A O no hydrogen 3.443 N/A GLN 161.A N PRO 157.A O no hydrogen 2.813 N/A SER 162.A N ALA 158.A O no hydrogen 3.177 N/A SER 163.A N ILE 159.A O no hydrogen 2.887 N/A SER 163.A OG ILE 159.A O no hydrogen 3.065 N/A MET 164.A N PHE 160.A O no hydrogen 2.786 N/A THR 165.A N SER 162.A O no hydrogen 2.972 N/A THR 165.A OG1 GLN 161.A O no hydrogen 2.924 N/A LYS 166.A N SER 162.A O no hydrogen 3.285 N/A ILE 167.A N SER 163.A O no hydrogen 3.172 N/A LEU 168.A N THR 165.A O no hydrogen 3.127 N/A GLU 169.A N THR 165.A O no hydrogen 2.954 N/A GLU 169.A N LYS 166.A O no hydrogen 3.332 N/A LYS 172.A N LEU 168.A O no hydrogen 3.068 N/A LYS 172.A N GLU 169.A O no hydrogen 2.928 N/A LYS 173.A N GLU 169.A O no hydrogen 3.130 N/A LYS 173.A NZ GLN 174.A OE1 no hydrogen 3.531 N/A GLN 174.A N PRO 170.A O no hydrogen 3.379 N/A ASN 175.A N PHE 171.A O no hydrogen 3.111 N/A ASN 175.A ND2 PHE 171.A O no hydrogen 3.558 N/A VAL 179.A N GLY 190.A O no hydrogen 3.072 N/A TYR 181.A N TYR 188.A O no hydrogen 2.888 N/A GLN 182.A NE2 THR 165.A OG1 no hydrogen 3.387 N/A TYR 183.A N ASP 186.A O no hydrogen 2.842 N/A ASP 186.A N TYR 183.A O no hydrogen 2.839 N/A LEU 187.A N LEU 109.A O no hydrogen 3.460 N/A TYR 188.A N TYR 181.A O no hydrogen 3.030 N/A VAL 189.A N THR 107.A O no hydrogen 3.118 N/A GLY 190.A N VAL 179.A O no hydrogen 3.270 N/A SER 191.A N SER 105.A O no hydrogen 3.055 N/A SER 191.A OG ASP 177.A O no hydrogen 3.523 N/A GLN 197.A N GLN 197.A OE1 no hydrogen 2.797 N/A HIS 198.A N GLU 194.A O no hydrogen 2.834 N/A ARG 199.A N ILE 195.A O no hydrogen 3.037 N/A THR 200.A N GLY 196.A O no hydrogen 3.257 N/A THR 200.A OG1 GLY 196.A O no hydrogen 2.572 N/A LYS 201.A N GLN 197.A O no hydrogen 2.777 N/A LYS 201.A NZ ASN 175.A OD1 no hydrogen 3.184 N/A ILE 202.A N HIS 198.A O no hydrogen 2.814 N/A GLU 203.A N ARG 199.A O no hydrogen 3.018 N/A GLU 204.A N THR 200.A O no hydrogen 2.753 N/A LEU 205.A N LYS 201.A O no hydrogen 2.845 N/A LEU 205.A N ILE 202.A O no hydrogen 3.211 N/A ARG 206.A N ILE 202.A O no hydrogen 2.832 N/A ARG 206.A NH1 ASP 218.A OD1 no hydrogen 3.441 N/A GLN 207.A N GLU 203.A O no hydrogen 3.046 N/A HIS 208.A N LEU 205.A O no hydrogen 3.000 N/A LEU 209.A N LEU 205.A O no hydrogen 2.954 N/A LEU 210.A N ARG 206.A O no hydrogen 2.664 N/A ARG 211.A N GLN 207.A O no hydrogen 3.298 N/A TRP 212.A N LEU 209.A O no hydrogen 2.378 N/A GLY 213.A N LEU 210.A O no hydrogen 3.247 N/A LEU 214.A N LEU 209.A O no hydrogen 3.013 N/A GLN 219.A N PRO 217.A O no hydrogen 2.468 N/A HIS 221.A N VAL 108.A O no hydrogen 2.874 N/A TYR 232.A OH GLN 269.A OE1 no hydrogen 2.850 N/A LEU 234.A N PHE 227.A O no hydrogen 3.126 N/A THR 240.A N GLU 233.A O no hydrogen 3.186 N/A THR 240.A OG1 VAL 241.A O no hydrogen 3.104 N/A VAL 254.A N GLU 291.A O no hydrogen 3.043 N/A ASN 255.A N LEU 289.A O no hydrogen 2.691 N/A ASP 256.A N THR 253.A OG1 no hydrogen 2.985 N/A ILE 257.A N THR 253.A O no hydrogen 3.111 N/A ILE 257.A N VAL 254.A O no hydrogen 3.249 N/A CYS 258.A N VAL 254.A O no hydrogen 3.159 N/A CYS 258.A SG VAL 254.A O no hydrogen 3.342 N/A LYS 259.A N ASN 255.A O no hydrogen 3.043 N/A LEU 260.A N ILE 257.A O no hydrogen 2.898 N/A VAL 261.A N ILE 257.A O no hydrogen 2.876 N/A GLY 262.A N CYS 258.A O no hydrogen 3.177 N/A LEU 264.A N LEU 260.A O no hydrogen 2.651 N/A LEU 264.A N VAL 261.A O no hydrogen 2.785 N/A ASN 265.A N VAL 261.A O no hydrogen 2.732 N/A TRP 266.A N GLY 262.A O no hydrogen 3.272 N/A ALA 267.A N LEU 264.A O no hydrogen 3.089 N/A SER 268.A N ASN 265.A O no hydrogen 2.884 N/A SER 268.A OG ASN 265.A O no hydrogen 2.873 N/A GLN 269.A NE2 TRP 266.A O no hydrogen 3.112 N/A TYR 271.A N ALA 267.A O no hydrogen 3.107 N/A LYS 275.A NZ GLN 332.A OE1 no hydrogen 3.275 N/A ARG 277.A NH1 GLN 334.A OE1 no hydrogen 3.107 N/A LEU 279.A N GLU 302.A OE1 no hydrogen 2.907 N/A SER 280.A N VAL 276.A O no hydrogen 3.155 N/A SER 280.A OG VAL 276.A O no hydrogen 2.820 N/A SER 280.A OG ARG 277.A O no hydrogen 3.159 N/A LYS 281.A N GLN 278.A O no hydrogen 2.499 N/A LEU 283.A N SER 280.A O no hydrogen 2.611 N/A GLU 291.A N ALA 288.A O no hydrogen 3.029 N/A ILE 293.A N TRP 252.A O no hydrogen 3.183 N/A GLU 300.A N THR 296.A O no hydrogen 2.880 N/A LEU 301.A N GLU 298.A O no hydrogen 3.196 N/A GLU 302.A N GLU 298.A O no hydrogen 3.381 N/A LEU 303.A N ALA 299.A O no hydrogen 3.259 N/A GLU 305.A N LEU 301.A O no hydrogen 3.125 N/A ASN 306.A N GLU 302.A O no hydrogen 2.718 N/A ASN 306.A ND2 LYS 275.A O no hydrogen 3.122 N/A GLU 308.A N GLU 305.A O no hydrogen 3.108 N/A ILE 309.A N GLU 305.A O no hydrogen 3.316 N/A GLY 316.A N TRP 239.A O no hydrogen 2.817 N/A VAL 317.A N ASN 348.A O no hydrogen 3.010 N/A TYR 318.A OH HIS 235.A O no hydrogen 2.463 N/A TYR 318.A OH LYS 238.A O no hydrogen 2.768 N/A TYR 319.A N LEU 100.A O no hydrogen 3.097 N/A ASP 320.A N GLN 343.A OE1 no hydrogen 3.091 N/A SER 322.A N ASP 320.A OD1 no hydrogen 2.849 N/A SER 322.A OG ASP 320.A OD1 no hydrogen 2.630 N/A ILE 326.A N TYR 342.A O no hydrogen 3.121 N/A ALA 327.A N LYS 388.A O no hydrogen 2.693 N/A GLU 328.A N GLN 340.A O no hydrogen 2.825 N/A GLN 330.A N THR 338.A O no hydrogen 3.135 N/A LYS 331.A NZ ASP 364.A OD1 no hydrogen 2.769 N/A GLN 332.A N GLN 336.A O no hydrogen 3.078 N/A GLN 336.A N GLY 333.A O no hydrogen 3.111 N/A TRP 337.A N TYR 354.A O no hydrogen 2.982 N/A THR 338.A N GLN 330.A O no hydrogen 3.308 N/A TYR 339.A N GLY 352.A O no hydrogen 3.383 N/A GLN 340.A N GLU 328.A O no hydrogen 2.909 N/A GLN 340.A NE2 GLU 328.A OE1 no hydrogen 3.026 N/A TYR 342.A N ILE 326.A O no hydrogen 2.941 N/A LEU 349.A N ILE 341.A O no hydrogen 2.718 N/A LYS 350.A NZ THR 351.A O no hydrogen 3.359 N/A THR 351.A N GLN 269.A O no hydrogen 2.476 N/A THR 351.A OG1 SER 268.A O no hydrogen 2.760 N/A THR 351.A OG1 GLN 269.A O no hydrogen 2.546 N/A GLY 352.A N TYR 339.A O no hydrogen 2.545 N/A TYR 354.A N TRP 337.A O no hydrogen 2.713 N/A GLY 359.A N MET 357.A O no hydrogen 2.885 N/A HIS 361.A ND1 SER 513.A OG no hydrogen 3.299 N/A VAL 365.A N ASN 363.A OD1 no hydrogen 3.167 N/A GLN 367.A N ASN 363.A O no hydrogen 2.999 N/A GLN 367.A NE2 ARG 356.A O no hydrogen 2.992 N/A LEU 368.A N ASP 364.A O no hydrogen 2.998 N/A THR 369.A N VAL 365.A O no hydrogen 2.827 N/A THR 369.A OG1 VAL 365.A O no hydrogen 3.048 N/A ALA 371.A N GLN 367.A O no hydrogen 2.720 N/A VAL 372.A N THR 369.A O no hydrogen 2.775 N/A GLN 373.A N THR 369.A O no hydrogen 3.009 N/A LYS 374.A NZ TYR 339.A OH no hydrogen 3.162 N/A THR 376.A N VAL 372.A O no hydrogen 2.965 N/A THR 376.A OG1 VAL 372.A O no hydrogen 3.319 N/A THR 377.A N GLN 373.A O no hydrogen 3.401 N/A THR 377.A OG1 GLN 373.A O no hydrogen 2.882 N/A GLU 378.A N ILE 375.A O no hydrogen 3.211 N/A SER 379.A N THR 376.A O no hydrogen 2.585 N/A ILE 380.A N THR 376.A O no hydrogen 2.958 N/A TRP 383.A N SER 379.A O no hydrogen 3.016 N/A LYS 385.A NZ TYR 319.A OH no hydrogen 3.508 N/A LYS 385.A NZ LYS 323.A O no hydrogen 3.402 N/A LYS 388.A N LEU 325.A O no hydrogen 2.639 N/A PHE 389.A N GLU 413.A O no hydrogen 2.869 N/A LYS 390.A N ALA 327.A O no hydrogen 3.242 N/A THR 397.A N GLN 394.A O no hydrogen 2.870 N/A TRP 398.A N GLN 394.A O no hydrogen 3.275 N/A GLU 399.A N LYS 395.A O no hydrogen 3.210 N/A THR 400.A N GLU 396.A O no hydrogen 3.229 N/A THR 400.A OG1 GLU 396.A O no hydrogen 2.815 N/A THR 400.A OG1 THR 397.A O no hydrogen 2.988 N/A TRP 401.A N TRP 398.A O no hydrogen 2.804 N/A THR 403.A OG1 GLU 399.A O no hydrogen 2.652 N/A GLU 404.A N TRP 401.A O no hydrogen 3.150 N/A GLU 415.A N PHE 389.A O no hydrogen 2.938 N/A VAL 417.A N LEU 391.A O no hydrogen 2.844 N/A VAL 423.A N PRO 392.A O no hydrogen 3.274 N/A GLU 430.A N VAL 531.A O no hydrogen 2.969 N/A GLU 432.A N GLU 430.A OE1 no hydrogen 2.856 N/A ILE 434.A N ASN 494.A OD1 no hydrogen 3.423 N/A THR 439.A N ASN 460.A OD1 no hydrogen 3.381 N/A PHE 440.A N GLU 438.A O no hydrogen 3.073 N/A TYR 441.A N VAL 458.A O no hydrogen 2.904 N/A TYR 441.A OH GLY 543.A O no hydrogen 3.334 N/A VAL 442.A N VAL 496.A O no hydrogen 3.162 N/A ASP 443.A N GLY 456.A O no hydrogen 3.188 N/A ALA 445.A N LYS 454.A O no hydrogen 3.419 N/A ASN 447.A N LEU 452.A O no hydrogen 3.161 N/A THR 450.A OG1 ASN 447.A OD1 no hydrogen 2.962 N/A LYS 451.A N ASN 447.A O no hydrogen 3.007 N/A LYS 451.A NZ ARG 448.A O no hydrogen 2.617 N/A GLY 453.A N LEU 469.A O no hydrogen 3.222 N/A LYS 454.A NZ SER 553.A O no hydrogen 3.447 N/A ALA 455.A N VAL 467.A O no hydrogen 3.081 N/A GLY 456.A N ASP 443.A O no hydrogen 3.150 N/A TYR 457.A N LYS 465.A O no hydrogen 3.380 N/A TYR 457.A OH ASP 488.A OD2 no hydrogen 2.288 N/A VAL 458.A N TYR 441.A O no hydrogen 3.097 N/A THR 459.A OG1 GLU 438.A OE2 no hydrogen 2.601 N/A ASN 460.A N ASN 460.A OD1 no hydrogen 2.636 N/A LYS 465.A N TYR 457.A O no hydrogen 3.405 N/A LYS 465.A NZ ASP 488.A OD1 no hydrogen 2.912 N/A LYS 465.A NZ ASP 488.A OD2 no hydrogen 3.180 N/A VAL 467.A N ALA 455.A O no hydrogen 3.292 N/A THR 472.A N LYS 451.A O no hydrogen 2.955 N/A THR 472.A OG1 THR 473.A O no hydrogen 3.569 N/A ASN 474.A ND2 ALA 446.A O no hydrogen 3.500 N/A LYS 476.A N THR 473.A OG1 no hydrogen 3.201 N/A THR 477.A N THR 473.A O no hydrogen 2.693 N/A THR 477.A OG1 ASN 474.A O no hydrogen 2.312 N/A GLU 478.A N ASN 474.A O no hydrogen 3.484 N/A GLN 480.A N LYS 476.A O no hydrogen 3.009 N/A ALA 481.A N THR 477.A O no hydrogen 3.105 N/A TYR 483.A N LEU 479.A O no hydrogen 3.275 N/A LEU 484.A N GLN 480.A O no hydrogen 3.076 N/A ALA 485.A N ALA 481.A O no hydrogen 3.269 N/A LEU 486.A N TYR 483.A O no hydrogen 2.980 N/A GLN 487.A N LEU 484.A O no hydrogen 2.880 N/A ASP 488.A N LEU 484.A O no hydrogen 3.174 N/A SER 489.A OG ALA 485.A O no hydrogen 2.493 N/A VAL 493.A N LYS 530.A O no hydrogen 3.288 N/A ASN 494.A ND2 ILE 434.A O no hydrogen 3.195 N/A ILE 495.A N TYR 532.A O no hydrogen 3.373 N/A VAL 496.A N PHE 440.A O no hydrogen 3.139 N/A THR 497.A N ALA 534.A O no hydrogen 3.224 N/A ASP 498.A N ASP 498.A OD1 no hydrogen 2.696 N/A SER 499.A N THR 497.A OG1 no hydrogen 3.335 N/A GLN 500.A N GLN 500.A OE1 no hydrogen 2.781 N/A ALA 502.A N SER 499.A OG no hydrogen 3.422 N/A LEU 503.A N SER 499.A O no hydrogen 2.934 N/A GLY 504.A N GLN 500.A O no hydrogen 2.375 N/A ILE 505.A N TYR 501.A O no hydrogen 3.263 N/A ILE 506.A N LEU 503.A O no hydrogen 2.993 N/A GLN 507.A N LEU 503.A O no hydrogen 2.871 N/A ALA 508.A N GLY 504.A O no hydrogen 3.356 N/A GLN 509.A N ILE 506.A O no hydrogen 2.414 N/A ASP 511.A N THR 362.A O no hydrogen 3.361 N/A SER 513.A OG HIS 361.A ND1 no hydrogen 3.299 N/A LEU 517.A N SER 515.A O no hydrogen 2.410 N/A ASN 519.A ND2 SER 513.A O no hydrogen 3.524 N/A GLN 520.A N LEU 517.A O no hydrogen 2.870 N/A ILE 521.A N LEU 517.A O no hydrogen 2.896 N/A ILE 522.A N VAL 518.A O no hydrogen 3.407 N/A LEU 525.A N ILE 521.A O no hydrogen 3.188 N/A ILE 526.A N ILE 522.A O no hydrogen 2.762 N/A LYS 527.A N GLN 524.A O no hydrogen 2.710 N/A LYS 528.A N GLN 524.A O no hydrogen 3.097 N/A LYS 528.A NZ LEU 486.A O no hydrogen 2.568 N/A LYS 528.A NZ SER 489.A O no hydrogen 3.145 N/A LYS 528.A NZ GLY 490.A O no hydrogen 3.542 N/A LYS 530.A N LEU 491.A O no hydrogen 3.158 N/A ALA 534.A N ILE 495.A O no hydrogen 2.798 N/A VAL 536.A N THR 497.A O no hydrogen 3.101 N/A LEU 551.A N GLN 547.A O no hydrogen 2.948 N/A VAL 552.A N ASP 549.A O no hydrogen 3.334 N/A