Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xai_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N VAL 16.A O no hydrogen 3.290 N/A MET 1.A N GLU 17.A OE1 no hydrogen 3.333 N/A LEU 3.A N ILE 14.A O no hydrogen 3.006 N/A THR 5.A N TYR 12.A O no hydrogen 3.183 N/A THR 5.A OG1 ASN 11.A OD1 no hydrogen 3.527 N/A THR 5.A OG1 TYR 12.A O no hydrogen 3.253 N/A TYR 7.A N ASN 11.A OD1 no hydrogen 2.585 N/A TYR 7.A OH VAL 225.A O no hydrogen 2.666 N/A ASN 11.A ND2 TYR 7.A O no hydrogen 2.592 N/A TYR 12.A N THR 5.A OG1 no hydrogen 2.776 N/A ILE 14.A N LEU 3.A O no hydrogen 3.036 N/A TYR 15.A N VAL 157.A O no hydrogen 2.719 N/A TYR 15.A OH TYR 27.A OH no hydrogen 3.205 N/A VAL 16.A N MET 1.A O no hydrogen 2.811 N/A HIS 18.A ND1 ASP 162.A OD1 no hydrogen 2.567 N/A HIS 18.A NE2 ASP 211.A OD1 no hydrogen 2.217 N/A LYS 22.A N GLY 19.A O no hydrogen 3.051 N/A TYR 23.A N ALA 20.A O no hydrogen 2.937 N/A TYR 23.A OH GLU 17.A OE1 no hydrogen 2.825 N/A TYR 23.A OH GLU 17.A OE2 no hydrogen 2.757 N/A THR 26.A OG1 TYR 23.A O no hydrogen 3.310 N/A TYR 27.A N ILE 24.A O no hydrogen 3.141 N/A TYR 27.A OH TYR 15.A OH no hydrogen 3.205 N/A ASP 32.A N ASN 91.A O no hydrogen 2.987 N/A GLN 33.A NE2 HIS 87.A O no hydrogen 3.614 N/A PHE 35.A N ALA 93.A O no hydrogen 2.893 N/A LEU 36.A N HIS 60.A O no hydrogen 2.780 N/A LEU 37.A N ILE 95.A O no hydrogen 3.003 N/A ILE 38.A N VAL 62.A O no hydrogen 2.832 N/A TYR 41.A N ASP 39.A OD1 no hydrogen 2.723 N/A VAL 42.A N ASP 39.A OD1 no hydrogen 3.314 N/A ASN 43.A N ASP 39.A O no hydrogen 3.077 N/A GLN 44.A N TYR 41.A O no hydrogen 2.940 N/A GLN 44.A NE2 GLU 40.A O no hydrogen 2.682 N/A TYR 45.A N TYR 41.A O no hydrogen 3.097 N/A PHE 46.A N VAL 42.A O no hydrogen 3.020 N/A ASP 51.A N ASN 48.A O no hydrogen 2.793 N/A SER 55.A N ASP 51.A O no hydrogen 3.215 N/A SER 55.A OG ASP 51.A O no hydrogen 2.636 N/A HIS 60.A N SER 34.A O no hydrogen 3.004 N/A LYS 61.A NZ ASN 43.A OD1 no hydrogen 3.129 N/A VAL 62.A N LEU 36.A O no hydrogen 2.571 N/A GLY 67.A N ASP 39.A OD2 no hydrogen 2.777 N/A LYS 69.A N ALA 66.A O no hydrogen 3.379 N/A THR 70.A N GLY 67.A O no hydrogen 2.922 N/A LYS 71.A NZ GLU 68.A OE1 no hydrogen 2.713 N/A LYS 71.A NZ ASP 104.A OD1 no hydrogen 3.215 N/A LYS 71.A NZ ASN 146.A OD1 no hydrogen 3.037 N/A THR 72.A N THR 70.A O no hydrogen 2.794 N/A THR 72.A OG1 GLU 74.A OE2 no hydrogen 3.445 N/A GLU 74.A N GLU 74.A OE2 no hydrogen 2.594 N/A GLN 75.A N THR 72.A OG1 no hydrogen 3.222 N/A GLN 75.A NE2 GLN 75.A O no hydrogen 3.306 N/A GLN 75.A NE2 GLU 78.A OE2 no hydrogen 3.207 N/A GLN 75.A NE2 THR 79.A OG1 no hydrogen 2.622 N/A TYR 76.A N THR 72.A O no hydrogen 3.179 N/A TYR 76.A OH THR 112.A OG1 no hydrogen 2.511 N/A GLN 77.A N PHE 73.A O no hydrogen 3.197 N/A GLU 78.A N GLU 74.A O no hydrogen 3.335 N/A THR 79.A N GLN 75.A O no hydrogen 3.028 N/A THR 79.A OG1 GLN 75.A O no hydrogen 3.282 N/A LEU 80.A N TYR 76.A O no hydrogen 3.178 N/A GLU 81.A N GLN 77.A O no hydrogen 2.797 N/A TYR 82.A N GLU 78.A O no hydrogen 2.692 N/A ILE 83.A N THR 79.A O no hydrogen 2.893 N/A LEU 84.A N LEU 80.A O no hydrogen 2.782 N/A SER 85.A N GLU 81.A O no hydrogen 3.121 N/A SER 85.A OG TYR 82.A O no hydrogen 2.534 N/A SER 85.A OG HIS 86.A ND1 no hydrogen 3.271 N/A HIS 86.A N ILE 83.A O no hydrogen 2.934 N/A HIS 87.A N LEU 84.A O no hydrogen 2.843 N/A THR 89.A N THR 92.A OG1 no hydrogen 3.332 N/A THR 89.A OG1 ASP 32.A OD2 no hydrogen 2.832 N/A ASN 91.A ND2 GLN 30.A O no hydrogen 3.288 N/A THR 92.A OG1 THR 89.A O no hydrogen 3.186 N/A ALA 93.A N GLN 33.A O no hydrogen 2.992 N/A ILE 94.A N HIS 118.A O no hydrogen 2.651 N/A ILE 95.A N PHE 35.A O no hydrogen 3.023 N/A ALA 96.A N ILE 120.A O no hydrogen 2.908 N/A VAL 97.A N LEU 37.A O no hydrogen 3.188 N/A THR 102.A OG1 GLY 99.A O no hydrogen 3.512 N/A GLY 103.A N GLY 99.A O no hydrogen 3.324 N/A ASP 104.A N GLY 100.A O no hydrogen 2.839 N/A PHE 105.A N ALA 101.A O no hydrogen 3.122 N/A ALA 106.A N THR 102.A O no hydrogen 3.028 N/A GLY 107.A N GLY 103.A O no hydrogen 2.976 N/A PHE 108.A N ASP 104.A O no hydrogen 2.985 N/A VAL 109.A N PHE 105.A O no hydrogen 2.874 N/A ALA 110.A N ALA 106.A O no hydrogen 2.866 N/A ALA 111.A N GLY 107.A O no hydrogen 2.799 N/A THR 112.A N VAL 109.A O no hydrogen 3.075 N/A THR 112.A OG1 TYR 76.A OH no hydrogen 2.511 N/A THR 112.A OG1 PHE 108.A O no hydrogen 2.900 N/A THR 112.A OG1 VAL 109.A O no hydrogen 3.259 N/A LEU 113.A N VAL 109.A O no hydrogen 2.896 N/A ARG 115.A N THR 112.A O no hydrogen 3.211 N/A GLY 116.A N LEU 113.A O no hydrogen 2.652 N/A VAL 117.A N ALA 110.A O no hydrogen 2.965 N/A HIS 118.A N THR 92.A O no hydrogen 2.917 N/A PHE 119.A N THR 155.A OG1 no hydrogen 3.256 N/A ILE 120.A N ILE 94.A O no hydrogen 2.863 N/A GLN 121.A N ALA 156.A O no hydrogen 3.061 N/A VAL 122.A N ALA 96.A O no hydrogen 2.774 N/A THR 124.A N GLY 98.A O no hydrogen 3.344 N/A HIS 129.A N ILE 126.A O no hydrogen 3.087 N/A HIS 129.A ND1 ILE 126.A O no hydrogen 2.620 N/A HIS 129.A NE2 HIS 182.A ND1 no hydrogen 3.231 N/A ASP 130.A N LEU 127.A O no hydrogen 2.982 N/A SER 131.A N LEU 127.A O no hydrogen 3.264 N/A SER 132.A N ALA 128.A O no hydrogen 3.243 N/A SER 132.A OG ALA 128.A O no hydrogen 2.514 N/A VAL 133.A N ASP 130.A O no hydrogen 3.096 N/A GLY 134.A N TYR 12.A OH no hydrogen 3.234 N/A LYS 136.A NZ GLU 231.A OE1 no hydrogen 2.675 N/A VAL 137.A N ALA 150.A O no hydrogen 3.132 N/A GLY 138.A N ASP 104.A O no hydrogen 2.982 N/A ILE 139.A N ILE 148.A O no hydrogen 2.820 N/A ASN 140.A N LYS 71.A O no hydrogen 2.781 N/A ASN 140.A ND2 GLU 68.A OE1 no hydrogen 3.363 N/A ASN 140.A ND2 LYS 71.A O no hydrogen 3.366 N/A SER 141.A N GLY 144.A O no hydrogen 2.805 N/A GLN 143.A N SER 141.A OG no hydrogen 2.987 N/A LYS 145.A N TYR 309.A OH no hydrogen 2.701 N/A LYS 145.A NZ GLU 68.A OE1 no hydrogen 2.837 N/A ASN 146.A N ASN 140.A OD1 no hydrogen 2.939 N/A ALA 150.A N VAL 137.A O no hydrogen 3.176 N/A TYR 152.A N GLY 135.A O no hydrogen 2.941 N/A TYR 152.A OH VAL 117.A O no hydrogen 2.412 N/A ARG 153.A NE GLU 229.A OE1 no hydrogen 2.744 N/A ARG 153.A NE GLU 229.A OE2 no hydrogen 3.393 N/A ARG 153.A NH1 SER 9.A O no hydrogen 3.220 N/A ARG 153.A NH1 ASN 10.A O no hydrogen 2.595 N/A ARG 153.A NH2 GLU 229.A OE2 no hydrogen 2.728 N/A THR 155.A N PHE 119.A O no hydrogen 2.501 N/A THR 155.A OG1 PHE 119.A O no hydrogen 3.514 N/A VAL 157.A N PRO 13.A O no hydrogen 2.957 N/A ILE 158.A N GLN 121.A O no hydrogen 2.606 N/A TYR 159.A N TYR 15.A O no hydrogen 2.680 N/A TYR 159.A OH THR 125.A O no hydrogen 2.532 N/A LEU 161.A N GLU 17.A O no hydrogen 2.588 N/A ASP 162.A N ASP 160.A OD2 no hydrogen 2.972 N/A PHE 163.A N ASP 160.A O no hydrogen 3.345 N/A THR 166.A OG1 PHE 163.A O no hydrogen 3.201 N/A LEU 167.A N LEU 164.A O no hydrogen 3.314 N/A GLN 171.A N PRO 168.A O no hydrogen 3.113 N/A ILE 172.A N PRO 168.A O no hydrogen 3.241 N/A LEU 173.A N PHE 169.A O no hydrogen 2.942 N/A SER 174.A N LYS 170.A O no hydrogen 3.348 N/A GLY 175.A N GLN 171.A O no hydrogen 2.628 N/A TYR 176.A N ILE 172.A O no hydrogen 2.615 N/A TYR 176.A OH TYR 287.A OH no hydrogen 2.759 N/A ALA 177.A N LEU 173.A O no hydrogen 3.205 N/A ALA 177.A N SER 174.A O no hydrogen 3.349 N/A GLU 178.A N GLY 175.A O no hydrogen 3.090 N/A VAL 179.A N GLY 175.A O no hydrogen 3.447 N/A TYR 180.A N TYR 176.A O no hydrogen 2.726 N/A TYR 180.A OH GLU 195.A OE1 no hydrogen 2.970 N/A LYS 181.A N ALA 177.A O no hydrogen 3.152 N/A LYS 181.A NZ GLU 178.A OE2 no hydrogen 2.963 N/A LYS 181.A NZ LEU 238.A O no hydrogen 2.556 N/A HIS 182.A N GLU 178.A O no hydrogen 3.110 N/A LEU 184.A N TYR 180.A O no hydrogen 2.960 N/A LEU 185.A N LYS 181.A O no hydrogen 3.122 N/A ASN 186.A N ALA 183.A O no hydrogen 2.728 N/A THR 191.A N GLY 187.A O no hydrogen 3.273 N/A THR 191.A OG1 GLY 187.A O no hydrogen 3.057 N/A GLN 192.A N GLU 188.A O no hydrogen 3.241 N/A ASP 193.A N SER 189.A O no hydrogen 2.765 N/A ILE 194.A N ALA 190.A O no hydrogen 2.893 N/A GLU 195.A N THR 191.A O no hydrogen 2.656 N/A HIS 197.A N ASP 193.A O no hydrogen 3.078 N/A HIS 197.A NE2 ASN 208.A O no hydrogen 2.499 N/A PHE 198.A N ILE 194.A O no hydrogen 2.775 N/A LYS 199.A N HIS 197.A O no hydrogen 3.006 N/A ARG 201.A N GLN 290.A O no hydrogen 2.938 N/A ARG 201.A NE GLN 205.A OE1 no hydrogen 3.085 N/A ILE 203.A N ASP 200.A O no hydrogen 2.908 N/A LEU 204.A N ASP 200.A O no hydrogen 3.325 N/A GLN 205.A N ARG 201.A O no hydrogen 2.709 N/A SER 206.A N GLU 202.A O no hydrogen 3.029 N/A SER 206.A OG GLU 202.A O no hydrogen 3.191 N/A SER 206.A OG ILE 203.A O no hydrogen 2.531 N/A LEU 207.A N ILE 203.A O no hydrogen 3.005 N/A MET 210.A N LEU 207.A O no hydrogen 3.305 N/A TYR 213.A OH ASP 193.A OD2 no hydrogen 3.122 N/A ILE 214.A N MET 210.A O no hydrogen 3.058 N/A ALA 215.A N ASP 211.A O no hydrogen 3.517 N/A LYS 216.A N LYS 212.A O no hydrogen 3.174 N/A GLY 217.A N ILE 214.A O no hydrogen 2.738 N/A ILE 218.A N ILE 214.A O no hydrogen 2.789 N/A GLU 219.A N ALA 215.A O no hydrogen 3.079 N/A THR 220.A N LYS 216.A O no hydrogen 3.248 N/A THR 220.A OG1 LYS 216.A O no hydrogen 2.408 N/A LYS 221.A N GLY 217.A O no hydrogen 3.152 N/A LYS 221.A N ILE 218.A O no hydrogen 3.076 N/A LYS 221.A NZ ASP 130.A O no hydrogen 2.594 N/A LYS 221.A NZ ASP 130.A OD1 no hydrogen 2.992 N/A LYS 221.A NZ VAL 133.A O no hydrogen 2.616 N/A LEU 222.A N ILE 218.A O no hydrogen 2.866 N/A ASP 223.A N GLU 219.A O no hydrogen 3.135 N/A VAL 225.A N LYS 221.A O no hydrogen 2.856 N/A VAL 226.A N LEU 222.A O no hydrogen 3.194 N/A ALA 227.A N ASP 223.A O no hydrogen 3.018 N/A GLU 231.A N ASP 228.A O no hydrogen 2.980 N/A GLN 232.A N ASP 228.A OD1 no hydrogen 2.571 N/A ARG 235.A N ASP 228.A OD2 no hydrogen 2.805 N/A ARG 235.A NH1 GLY 134.A O no hydrogen 2.912 N/A ARG 235.A NH1 GLU 229.A O no hydrogen 3.135 N/A LYS 236.A N GLY 233.A O no hydrogen 3.110 N/A PHE 237.A N VAL 234.A O no hydrogen 2.630 N/A LEU 238.A N ARG 235.A O no hydrogen 3.174 N/A ASN 239.A N LYS 236.A O no hydrogen 3.307 N/A HIS 242.A N ASN 239.A O no hydrogen 2.973 N/A HIS 242.A ND1 LEU 240.A O no hydrogen 2.897 N/A THR 243.A OG1 GLN 322.A O no hydrogen 3.421 N/A HIS 246.A N HIS 242.A O no hydrogen 2.663 N/A VAL 248.A N PHE 244.A O no hydrogen 3.064 N/A VAL 248.A N GLY 245.A O no hydrogen 3.140 N/A GLU 249.A N GLY 245.A O no hydrogen 2.906 N/A TYR 250.A N HIS 246.A O no hydrogen 3.041 N/A TYR 250.A OH LYS 142.A O no hydrogen 3.269 N/A TYR 251.A N ALA 247.A O no hydrogen 3.142 N/A HIS 252.A N VAL 248.A O no hydrogen 2.784 N/A LYS 253.A NZ TYR 250.A O no hydrogen 2.701 N/A HIS 256.A ND1 GLU 249.A OE1 no hydrogen 3.028 N/A GLY 257.A N SER 174.A OG no hydrogen 3.219 N/A ALA 259.A N PRO 255.A O no hydrogen 3.079 N/A VAL 260.A N HIS 256.A O no hydrogen 2.889 N/A MET 261.A N GLY 257.A O no hydrogen 2.796 N/A VAL 262.A N HIS 258.A O no hydrogen 3.218 N/A GLY 263.A N ALA 259.A O no hydrogen 2.610 N/A ILE 264.A N VAL 260.A O no hydrogen 2.533 N/A ILE 265.A N MET 261.A O no hydrogen 3.065 N/A TYR 266.A N VAL 262.A O no hydrogen 3.296 N/A GLN 267.A N GLY 263.A O no hydrogen 3.064 N/A GLN 267.A NE2 ILE 264.A O no hydrogen 2.914 N/A PHE 268.A N ILE 264.A O no hydrogen 3.057 N/A ILE 269.A N ILE 265.A O no hydrogen 3.002 N/A VAL 270.A N TYR 266.A O no hydrogen 3.197 N/A ALA 271.A N GLN 267.A O no hydrogen 2.939 N/A ASN 272.A N PHE 268.A O no hydrogen 2.992 N/A ALA 273.A N ILE 269.A O no hydrogen 3.010 N/A LEU 274.A N VAL 270.A O no hydrogen 2.704 N/A SER 277.A N ALA 271.A O no hydrogen 3.190 N/A SER 277.A OG ALA 271.A O no hydrogen 3.462 N/A SER 277.A OG ARG 327.A O no hydrogen 2.667 N/A HIS 279.A N ASN 272.A OD1 no hydrogen 2.580 N/A HIS 279.A NE2 MET 326.A O no hydrogen 3.034 N/A HIS 283.A N ASP 280.A O no hydrogen 3.216 N/A HIS 283.A N ASP 280.A OD1 no hydrogen 3.263 N/A HIS 283.A NE2 GLU 195.A OE1 no hydrogen 2.716 N/A TYR 284.A N ASP 280.A O no hydrogen 3.408 N/A ILE 285.A N ILE 281.A O no hydrogen 2.895 N/A GLN 286.A N SER 282.A O no hydrogen 3.281 N/A TYR 287.A N HIS 283.A O no hydrogen 2.923 N/A TYR 287.A OH TYR 176.A OH no hydrogen 2.759 N/A TYR 287.A OH PHE 198.A O no hydrogen 2.797 N/A LEU 288.A N TYR 284.A O no hydrogen 3.095 N/A LEU 288.A N ILE 285.A O no hydrogen 3.212 N/A ILE 289.A N ILE 285.A O no hydrogen 3.275 N/A GLN 290.A N GLN 286.A O no hydrogen 3.023 N/A GLN 290.A NE2 LYS 199.A O no hydrogen 2.522 N/A LEU 291.A N TYR 287.A O no hydrogen 3.223 N/A GLY 292.A N LEU 288.A O no hydrogen 3.062 N/A GLY 292.A N ILE 289.A O no hydrogen 2.833 N/A TYR 293.A N LEU 288.A O no hydrogen 2.949 N/A TYR 293.A OH LEU 173.A O no hydrogen 2.275 N/A ASP 300.A N MET 297.A O no hydrogen 2.827 N/A LEU 306.A N ASP 302.A O no hydrogen 3.297 N/A TYR 307.A N PHE 303.A O no hydrogen 2.796 N/A GLN 308.A N GLU 304.A O no hydrogen 3.495 N/A TYR 309.A N THR 305.A O no hydrogen 3.274 N/A MET 310.A N LEU 306.A O no hydrogen 2.763 N/A LEU 311.A N GLN 308.A O no hydrogen 3.458 N/A SER 312.A N TYR 309.A O no hydrogen 2.822 N/A LYS 314.A NZ ASN 146.A O no hydrogen 2.690 N/A LYS 315.A N ASP 313.A OD2 no hydrogen 2.682 N/A LYS 315.A NZ THR 243.A OG1 no hydrogen 2.822 N/A LYS 315.A NZ ASP 313.A OD1 no hydrogen 3.235 N/A LYS 315.A NZ ASP 313.A OD2 no hydrogen 3.142 N/A ASN 316.A ND2 MET 310.A O no hydrogen 2.920 N/A GLN 319.A N ASP 317.A OD1 no hydrogen 3.000 N/A GLY 320.A N ASP 317.A O no hydrogen 3.231 N/A MET 323.A N GLN 335.A O no hydrogen 3.186 N/A LEU 325.A N VAL 333.A O no hydrogen 2.789 N/A ARG 327.A N ASP 331.A O no hydrogen 2.988 N/A ARG 327.A NH1 ASP 331.A OD1 no hydrogen 3.402 N/A ASP 331.A N GLN 328.A O no hydrogen 2.413 N/A VAL 333.A N LEU 325.A O no hydrogen 2.797 N/A GLN 335.A N MET 323.A O no hydrogen 3.184 N/A VAL 337.A N VAL 321.A O no hydrogen 3.376 N/A GLN 343.A N LEU 340.A O no hydrogen 2.564 N/A HIS 344.A N LEU 340.A O no hydrogen 3.033 N/A ALA 345.A N THR 341.A O no hydrogen 2.637 N/A GLN 348.A N HIS 344.A O no hydrogen 3.211 N/A LEU 349.A N ALA 345.A O no hydrogen 3.179 N/A LYS 350.A N GLU 347.A O no hydrogen 3.057 N/A LYS 350.A NZ LEU 301.A O no hydrogen 3.570 N/A THR 351.A N GLN 348.A O no hydrogen 3.318 N/A THR 351.A OG1 GLU 347.A O no hydrogen 3.407 N/A