Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3irx_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 10.A N ASP 121.A OD2 no hydrogen 3.275 N/A LYS 13.A N ARG 83.A O no hydrogen 2.973 N/A LYS 13.A NZ THR 84.A O no hydrogen 3.564 N/A LYS 13.A NZ ASP 86.A OD1 no hydrogen 3.047 N/A VAL 21.A N ASN 57.A O no hydrogen 2.889 N/A GLN 23.A NE2 TRP 24.A O no hydrogen 2.757 N/A GLN 23.A NE2 VAL 60.A O no hydrogen 3.199 N/A LYS 30.A NZ GLU 392.A OE1 no hydrogen 3.547 N/A LYS 30.A NZ GLU 392.A OE2 no hydrogen 2.835 N/A ILE 31.A N THR 27.A O no hydrogen 3.077 N/A LYS 32.A N GLU 28.A O no hydrogen 3.357 N/A LYS 32.A NZ GLU 28.A OE2 no hydrogen 2.947 N/A ALA 33.A N GLU 29.A O no hydrogen 3.174 N/A LEU 34.A N LYS 30.A O no hydrogen 3.110 N/A VAL 35.A N ILE 31.A O no hydrogen 3.061 N/A GLU 36.A N LYS 32.A O no hydrogen 3.113 N/A ILE 37.A N ALA 33.A O no hydrogen 3.027 N/A CYS 38.A N LEU 34.A O no hydrogen 2.911 N/A THR 39.A N VAL 35.A O no hydrogen 3.028 N/A THR 39.A OG1 VAL 35.A O no hydrogen 2.777 N/A GLU 40.A N ILE 37.A O no hydrogen 3.255 N/A MET 41.A N ILE 37.A O no hydrogen 3.166 N/A GLU 42.A N CYS 38.A O no hydrogen 3.224 N/A GLU 44.A N GLU 40.A O no hydrogen 3.047 N/A GLY 45.A N GLU 42.A O no hydrogen 2.807 N/A LYS 46.A N MET 41.A O no hydrogen 2.733 N/A LYS 46.A NZ GLU 44.A OE2 no hydrogen 3.141 N/A ILE 47.A N MET 41.A O no hydrogen 3.398 N/A SER 48.A N GLN 145.A O no hydrogen 2.874 N/A LYS 49.A NZ GLU 42.A OE2 no hydrogen 3.506 N/A GLU 53.A N GLU 53.A OE2 no hydrogen 2.515 N/A ASN 54.A N GLY 51.A O no hydrogen 3.445 N/A TYR 56.A N ASN 54.A OD1 no hydrogen 3.204 N/A TYR 56.A OH ASP 17.A OD1 no hydrogen 3.085 N/A ASN 57.A N PRO 19.A O no hydrogen 3.257 N/A ASN 57.A ND2 VAL 21.A O no hydrogen 2.759 N/A THR 58.A N ALA 129.A O no hydrogen 2.799 N/A PHE 61.A N LEU 74.A O no hydrogen 3.002 N/A ILE 63.A N ARG 72.A O no hydrogen 3.181 N/A LYS 70.A N SER 68.A OG no hydrogen 3.280 N/A ARG 72.A N ILE 63.A O no hydrogen 3.185 N/A LYS 73.A NZ TYR 146.A OH no hydrogen 3.001 N/A LEU 74.A N PHE 61.A O no hydrogen 3.180 N/A ARG 78.A N ASP 76.A OD1 no hydrogen 2.818 N/A ARG 78.A NE ASP 76.A OD2 no hydrogen 3.158 N/A ARG 78.A NH1 PRO 400.A O no hydrogen 3.352 N/A ARG 78.A NH2 ASP 76.A OD2 no hydrogen 3.236 N/A ASN 81.A N PHE 77.A O no hydrogen 2.665 N/A ASN 81.A ND2 GLY 152.A O no hydrogen 3.215 N/A LYS 82.A N ARG 78.A O no hydrogen 3.182 N/A LYS 82.A NZ GLU 401.A OE2 no hydrogen 3.198 N/A ARG 83.A N GLU 79.A O no hydrogen 3.358 N/A ARG 83.A N LEU 80.A O no hydrogen 3.225 N/A ARG 83.A NH1 ASP 17.A O no hydrogen 2.704 N/A THR 84.A N ASN 81.A O no hydrogen 3.129 N/A THR 84.A OG1 LEU 80.A O no hydrogen 2.628 N/A GLU 89.A N GLU 89.A OE1 no hydrogen 2.914 N/A LEU 92.A N GLU 89.A O no hydrogen 2.984 N/A HIS 96.A NE2 VAL 369.A O no hydrogen 3.071 N/A LEU 100.A N PRO 97.A O no hydrogen 3.054 N/A LYS 104.A NZ ASP 192.A O no hydrogen 3.186 N/A LYS 104.A NZ ASP 192.A OD1 no hydrogen 3.351 N/A SER 105.A N SER 191.A O no hydrogen 3.185 N/A SER 105.A OG HIS 223.A ND1 no hydrogen 3.313 N/A VAL 106.A N LEU 222.A O no hydrogen 3.184 N/A THR 107.A N VAL 189.A O no hydrogen 2.812 N/A THR 107.A OG1 HIS 198.A NE2 no hydrogen 3.220 N/A VAL 108.A N TYR 220.A O no hydrogen 3.055 N/A LEU 109.A N LEU 187.A O no hydrogen 2.618 N/A VAL 111.A N ASP 185.A O no hydrogen 3.257 N/A ALA 114.A N VAL 111.A O no hydrogen 3.177 N/A TYR 115.A N GLY 112.A O no hydrogen 2.981 N/A TYR 115.A OH MET 184.A O no hydrogen 3.026 N/A SER 117.A OG ALA 114.A O no hydrogen 2.687 N/A VAL 118.A N TYR 115.A O no hydrogen 3.032 N/A LEU 120.A N ASN 147.A O no hydrogen 2.694 N/A PHE 124.A N ASP 121.A O no hydrogen 2.705 N/A ARG 125.A N ASP 121.A O no hydrogen 3.314 N/A ARG 125.A NE LEU 120.A O no hydrogen 3.023 N/A ARG 125.A NH2 LEU 120.A O no hydrogen 3.251 N/A LYS 126.A NZ ASP 123.A O no hydrogen 3.505 N/A TYR 127.A N PHE 124.A O no hydrogen 2.693 N/A THR 128.A OG1 ARG 125.A O no hydrogen 3.157 N/A PHE 130.A N TYR 144.A O no hydrogen 3.483 N/A THR 131.A OG1 ASN 57.A OD1 no hydrogen 3.064 N/A ILE 132.A N ILE 142.A O no hydrogen 2.917 N/A SER 134.A OG THR 139.A O no hydrogen 2.874 N/A GLU 138.A N ILE 135.A O no hydrogen 3.145 N/A ARG 143.A NE THR 131.A OG1 no hydrogen 3.053 N/A ARG 143.A NH2 TYR 56.A O no hydrogen 2.747 N/A ARG 143.A NH2 ASN 57.A OD1 no hydrogen 3.154 N/A TYR 144.A N PHE 130.A O no hydrogen 3.092 N/A TYR 146.A N THR 128.A OG1 no hydrogen 3.035 N/A ASN 147.A N LYS 46.A O no hydrogen 2.908 N/A ASN 147.A ND2 GLY 45.A O no hydrogen 2.887 N/A ASN 147.A ND2 SER 48.A OG no hydrogen 2.934 N/A GLN 151.A NE2 ASP 185.A OD2 no hydrogen 3.337 N/A TRP 153.A N PRO 150.A O no hydrogen 3.318 N/A TRP 153.A NE1 THR 84.A OG1 no hydrogen 3.001 N/A LYS 154.A N ASN 81.A OD1 no hydrogen 2.625 N/A SER 156.A OG PRO 150.A O no hydrogen 2.682 N/A ILE 159.A N GLY 155.A O no hydrogen 2.940 N/A PHE 160.A N SER 156.A O no hydrogen 3.106 N/A GLN 161.A N ALA 158.A O no hydrogen 3.063 N/A SER 162.A OG ILE 159.A O no hydrogen 3.473 N/A MET 164.A N PHE 160.A O no hydrogen 3.051 N/A THR 165.A N GLN 161.A O no hydrogen 3.345 N/A THR 165.A OG1 GLN 161.A O no hydrogen 2.894 N/A ILE 167.A N SER 163.A O no hydrogen 3.163 N/A LEU 168.A N THR 165.A O no hydrogen 3.189 N/A PHE 171.A N LEU 168.A O no hydrogen 3.160 N/A LYS 172.A N LEU 168.A O no hydrogen 2.694 N/A LYS 173.A N GLU 169.A O no hydrogen 2.870 N/A GLN 174.A NE2 GLU 204.A OE1 no hydrogen 3.531 N/A ASN 175.A N PHE 171.A O no hydrogen 3.009 N/A VAL 179.A N GLY 190.A O no hydrogen 3.303 N/A TYR 181.A N TYR 188.A O no hydrogen 2.934 N/A TYR 183.A N ASP 186.A O no hydrogen 2.963 N/A ASP 186.A N TYR 183.A O no hydrogen 2.756 N/A LEU 187.A N LEU 109.A O no hydrogen 2.759 N/A TYR 188.A N TYR 181.A O no hydrogen 2.717 N/A VAL 189.A N THR 107.A O no hydrogen 2.699 N/A GLY 190.A N VAL 179.A O no hydrogen 2.910 N/A SER 191.A N SER 105.A O no hydrogen 2.829 N/A SER 191.A OG HIS 198.A ND1 no hydrogen 2.442 N/A ARG 199.A N ILE 195.A O no hydrogen 3.389 N/A THR 200.A OG1 GLY 196.A O no hydrogen 3.527 N/A ILE 202.A N HIS 198.A O no hydrogen 3.255 N/A GLU 204.A N THR 200.A O no hydrogen 3.344 N/A LEU 205.A N LYS 201.A O no hydrogen 3.376 N/A ARG 206.A N ILE 202.A O no hydrogen 2.888 N/A ARG 206.A N GLU 203.A O no hydrogen 3.230 N/A ARG 206.A NH1 GLU 203.A OE2 no hydrogen 3.211 N/A GLN 207.A N GLU 203.A O no hydrogen 3.205 N/A HIS 208.A N GLU 204.A O no hydrogen 3.148 N/A LEU 209.A N LEU 205.A O no hydrogen 3.294 N/A LEU 210.A N GLN 207.A O no hydrogen 2.945 N/A ARG 211.A N GLN 207.A O no hydrogen 3.006 N/A ARG 211.A N HIS 208.A O no hydrogen 3.301 N/A TYR 220.A N VAL 108.A O no hydrogen 3.266 N/A LEU 222.A N VAL 106.A O no hydrogen 3.215 N/A HIS 223.A ND1 LYS 104.A O no hydrogen 2.948 N/A THR 228.A OG1 LEU 337.A O no hydrogen 3.281 N/A GLN 230.A N THR 339.A OG1 no hydrogen 3.215 N/A GLN 230.A NE2 TRP 227.A O no hydrogen 2.518 N/A GLN 230.A NE2 THR 339.A O no hydrogen 2.965 N/A THR 241.A N ASP 244.A OD2 no hydrogen 3.314 N/A VAL 242.A N GLU 279.A O no hydrogen 2.801 N/A ASN 243.A N LEU 277.A O no hydrogen 3.058 N/A ASP 244.A N THR 241.A OG1 no hydrogen 3.075 N/A ILE 245.A N THR 241.A O no hydrogen 3.088 N/A GLN 246.A N VAL 242.A O no hydrogen 2.950 N/A LYS 247.A N ASN 243.A O no hydrogen 3.038 N/A LEU 248.A N ASP 244.A O no hydrogen 3.038 N/A VAL 249.A N ILE 245.A O no hydrogen 2.923 N/A GLY 250.A N GLN 246.A O no hydrogen 3.291 N/A LYS 251.A N LYS 247.A O no hydrogen 2.977 N/A LYS 251.A NZ VAL 233.A O no hydrogen 2.714 N/A LEU 252.A N LEU 248.A O no hydrogen 2.929 N/A ASN 253.A N VAL 249.A O no hydrogen 2.856 N/A TRP 254.A N LYS 251.A O no hydrogen 3.208 N/A ALA 255.A N LYS 251.A O no hydrogen 2.928 N/A SER 256.A N LEU 252.A O no hydrogen 2.971 N/A SER 256.A OG ASN 253.A O no hydrogen 2.829 N/A GLN 257.A N TRP 254.A O no hydrogen 3.158 N/A GLN 257.A NE2 TRP 254.A O no hydrogen 3.387 N/A ILE 258.A N ALA 255.A O no hydrogen 2.555 N/A TYR 259.A N ALA 255.A O no hydrogen 2.924 N/A LYS 263.A N ASN 294.A OD1 no hydrogen 3.067 N/A SER 268.A N VAL 264.A O no hydrogen 3.205 N/A SER 268.A N ARG 265.A O no hydrogen 3.125 N/A SER 268.A OG VAL 264.A O no hydrogen 2.867 N/A LYS 269.A N ARG 265.A O no hydrogen 3.215 N/A LEU 271.A N SER 268.A O no hydrogen 2.915 N/A ARG 272.A N SER 268.A O no hydrogen 3.185 N/A ARG 272.A N LYS 269.A O no hydrogen 3.342 N/A GLU 279.A N ALA 276.A O no hydrogen 3.413 N/A ILE 281.A N TRP 240.A O no hydrogen 2.894 N/A ALA 287.A N THR 284.A OG1 no hydrogen 3.299 N/A GLU 288.A N THR 284.A O no hydrogen 3.040 N/A LEU 289.A N GLU 285.A O no hydrogen 3.124 N/A GLU 290.A N GLU 286.A O no hydrogen 3.034 N/A LEU 291.A N ALA 287.A O no hydrogen 2.986 N/A ALA 292.A N GLU 288.A O no hydrogen 3.174 N/A ALA 292.A N LEU 289.A O no hydrogen 3.184 N/A GLU 293.A N LEU 289.A O no hydrogen 2.914 N/A ASN 294.A N GLU 290.A O no hydrogen 2.867 N/A ASN 294.A ND2 LYS 263.A O no hydrogen 2.789 N/A ARG 295.A N LEU 291.A O no hydrogen 3.269 N/A ARG 295.A NH1 LEU 234.A O no hydrogen 2.973 N/A ARG 295.A NH1 PRO 235.A O no hydrogen 3.453 N/A GLU 296.A N ALA 292.A O no hydrogen 3.283 N/A GLU 296.A N GLU 293.A O no hydrogen 3.001 N/A ILE 297.A N GLU 293.A O no hydrogen 3.218 N/A LEU 298.A N ASN 294.A O no hydrogen 3.269 N/A LYS 299.A N GLU 296.A O no hydrogen 2.984 N/A LYS 299.A NZ ARG 295.A O no hydrogen 3.508 N/A LYS 299.A NZ GLU 296.A OE2 no hydrogen 3.432 N/A ASP 308.A N GLN 331.A OE1 no hydrogen 2.937 N/A SER 310.A N ASP 308.A OD1 no hydrogen 3.021 N/A SER 310.A OG ASP 308.A OD1 no hydrogen 2.735 N/A LYS 311.A NZ GLU 332.A OE2 no hydrogen 2.697 N/A ILE 314.A N TYR 330.A O no hydrogen 2.712 N/A ALA 315.A N LYS 376.A O no hydrogen 2.943 N/A GLU 316.A N GLN 328.A O no hydrogen 3.107 N/A GLN 318.A N THR 326.A O no hydrogen 2.983 N/A GLN 318.A NE2 THR 326.A OG1 no hydrogen 2.951 N/A GLN 318.A NE2 GLN 328.A OE1 no hydrogen 2.821 N/A LYS 319.A NZ ASP 352.A OD1 no hydrogen 2.502 N/A GLN 320.A N GLN 324.A O no hydrogen 3.078 N/A GLN 320.A NE2 THR 326.A OG1 no hydrogen 2.934 N/A GLN 324.A N GLY 321.A O no hydrogen 3.200 N/A TRP 325.A N TYR 342.A O no hydrogen 3.135 N/A TRP 325.A NE1 GLN 355.A OE1 no hydrogen 3.041 N/A THR 326.A N GLN 318.A O no hydrogen 2.987 N/A TYR 327.A N GLY 340.A O no hydrogen 3.305 N/A GLN 328.A N GLU 316.A O no hydrogen 3.210 N/A GLN 328.A NE2 GLN 318.A OE1 no hydrogen 3.387 N/A ILE 329.A N LYS 338.A O no hydrogen 2.792 N/A TYR 330.A N ILE 314.A O no hydrogen 2.972 N/A GLN 331.A NE2 ASP 308.A O no hydrogen 2.718 N/A GLN 331.A NE2 LYS 311.A O no hydrogen 3.173 N/A LEU 337.A N ILE 329.A O no hydrogen 3.040 N/A LYS 338.A NZ GLU 366.A OE1 no hydrogen 2.950 N/A THR 339.A N THR 228.A O no hydrogen 3.277 N/A GLY 340.A N TYR 327.A O no hydrogen 3.096 N/A THR 350.A N GLY 347.A O no hydrogen 3.436 N/A THR 350.A OG1 ALA 348.A O no hydrogen 3.555 N/A ASN 351.A N GLY 347.A O no hydrogen 3.348 N/A ASN 351.A ND2 TYR 393.A OH no hydrogen 3.425 N/A LYS 354.A N ASN 351.A OD1 no hydrogen 2.654 N/A GLN 355.A N ASN 351.A O no hydrogen 3.392 N/A GLN 355.A NE2 ASN 351.A O no hydrogen 3.339 N/A LEU 356.A N ASP 352.A O no hydrogen 3.077 N/A THR 357.A N VAL 353.A O no hydrogen 3.094 N/A THR 357.A OG1 VAL 353.A O no hydrogen 3.112 N/A GLU 358.A N LYS 354.A O no hydrogen 2.977 N/A ALA 359.A N GLN 355.A O no hydrogen 2.817 N/A VAL 360.A N LEU 356.A O no hydrogen 2.842 N/A GLN 361.A N THR 357.A O no hydrogen 3.221 N/A GLN 361.A NE2 THR 357.A O no hydrogen 3.497 N/A GLN 361.A NE2 TYR 393.A O no hydrogen 3.322 N/A LYS 362.A N GLU 358.A O no hydrogen 2.984 N/A ILE 363.A N ALA 359.A O no hydrogen 2.893 N/A THR 364.A N VAL 360.A O no hydrogen 3.016 N/A THR 364.A OG1 VAL 360.A O no hydrogen 2.872 N/A THR 365.A N GLN 361.A O no hydrogen 3.041 N/A GLU 366.A N LYS 362.A O no hydrogen 3.205 N/A SER 367.A N ILE 363.A O no hydrogen 3.126 N/A SER 367.A OG LYS 373.A O no hydrogen 3.086 N/A ILE 368.A N THR 364.A O no hydrogen 3.004 N/A ILE 368.A N THR 365.A O no hydrogen 2.935 N/A VAL 369.A N THR 365.A O no hydrogen 3.287 N/A VAL 369.A N GLU 366.A O no hydrogen 3.187 N/A ILE 370.A N GLU 366.A O no hydrogen 3.315 N/A TRP 371.A N SER 367.A O no hydrogen 3.290 N/A LYS 373.A NZ PRO 309.A O no hydrogen 3.329 N/A LYS 373.A NZ LYS 311.A O no hydrogen 2.963 N/A LYS 376.A N LEU 313.A O no hydrogen 2.802 N/A PHE 377.A N GLU 401.A O no hydrogen 2.994 N/A LYS 378.A N ALA 315.A O no hydrogen 3.138 N/A LYS 378.A NZ GLU 316.A OE2 no hydrogen 2.836 N/A LEU 379.A N GLU 403.A O no hydrogen 2.848 N/A GLN 382.A NE2 GLU 384.A OE1 no hydrogen 3.018 N/A TRP 386.A N GLN 382.A O no hydrogen 3.084 N/A GLU 387.A N LYS 383.A O no hydrogen 3.016 N/A THR 388.A N GLU 384.A O no hydrogen 3.216 N/A THR 388.A N THR 385.A O no hydrogen 3.116 N/A THR 388.A OG1 GLU 384.A O no hydrogen 3.212 N/A TRP 389.A N TRP 386.A O no hydrogen 3.343 N/A TRP 390.A N TRP 386.A O no hydrogen 3.122 N/A GLU 392.A N TRP 389.A O no hydrogen 2.793 N/A TYR 393.A N TRP 390.A O no hydrogen 3.039 N/A TRP 394.A NE1 TRP 398.A O no hydrogen 3.059 N/A GLN 395.A N GLN 361.A OE1 no hydrogen 3.094 N/A GLN 395.A NE2 LYS 64.A O no hydrogen 3.136 N/A ALA 396.A N GLN 361.A OE1 no hydrogen 3.005 N/A THR 397.A OG1 ASP 185.A OD2 no hydrogen 3.263 N/A TRP 398.A NE1 ASP 186.A OD2 no hydrogen 3.139 N/A GLU 403.A N PHE 377.A O no hydrogen 2.846 N/A VAL 405.A N LEU 379.A O no hydrogen 3.115 N/A GLN 416.A N LEU 413.A O no hydrogen 2.790 N/A GLN 416.A NE2 GLN 324.A OE1 no hydrogen 3.670 N/A