Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2q3r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N ASN 294.A OD1 no hydrogen 3.303 N/A LEU 5.A N VAL 2.A O no hydrogen 2.668 N/A THR 6.A N PRO 3.A O no hydrogen 2.957 N/A THR 6.A OG1 PRO 3.A O no hydrogen 2.433 N/A TYR 8.A N LEU 15.A O no hydrogen 3.226 N/A TYR 8.A OH THR 281.A OG1 no hydrogen 2.513 N/A MET 10.A N PHE 13.A O no hydrogen 3.160 N/A ARG 12.A N MET 10.A O no hydrogen 2.400 N/A PHE 13.A N MET 10.A O no hydrogen 2.870 N/A LEU 15.A N TYR 8.A O no hydrogen 3.208 N/A SER 16.A N GLY 49.A O no hydrogen 2.866 N/A SER 16.A OG PRO 48.A O no hydrogen 2.736 N/A HIS 17.A NE2 THR 47.A OG1 no hydrogen 2.776 N/A ARG 18.A N LEU 4.A O no hydrogen 2.702 N/A ARG 18.A NE THR 6.A O no hydrogen 2.919 N/A ARG 18.A NE THR 6.A OG1 no hydrogen 2.746 N/A ARG 18.A NH1 ASP 303.A O no hydrogen 2.506 N/A VAL 19.A N HIS 17.A ND1 no hydrogen 3.168 N/A VAL 20.A N VAL 305.A O no hydrogen 2.576 N/A LEU 21.A N PHE 51.A O no hydrogen 3.225 N/A ALA 22.A N TYR 307.A O no hydrogen 3.004 N/A ARG 26.A N GLU 55.A OE1 no hydrogen 3.461 N/A ARG 26.A NE PHE 335.A O no hydrogen 2.885 N/A ARG 26.A NH1 TYR 41.A OH no hydrogen 3.431 N/A ARG 26.A NH2 THR 334.A O no hydrogen 3.431 N/A ARG 26.A NH2 PHE 335.A O no hydrogen 3.244 N/A ARG 26.A NH2 GLY 343.A O no hydrogen 2.756 N/A ARG 28.A NE ASP 339.A O no hydrogen 2.761 N/A ARG 28.A NH1 ARG 26.A O no hydrogen 3.113 N/A ARG 28.A NH1 THR 334.A O no hydrogen 3.215 N/A ARG 28.A NH1 PHE 335.A O no hydrogen 2.716 N/A ARG 28.A NH2 THR 334.A O no hydrogen 2.476 N/A ARG 28.A NH2 VAL 342.A O no hydrogen 3.193 N/A SER 29.A N ASP 68.A O no hydrogen 2.916 N/A TYR 30.A OH SER 338.A O no hydrogen 2.606 N/A GLY 31.A N ASP 68.A OD1 no hydrogen 2.884 N/A ASN 32.A N SER 29.A O no hydrogen 2.654 N/A ASN 32.A ND2 THR 69.A O no hydrogen 3.141 N/A VAL 33.A N TYR 30.A O no hydrogen 3.051 N/A HIS 37.A NE2 ARG 28.A O no hydrogen 3.112 N/A TYR 41.A N HIS 37.A O no hydrogen 2.755 N/A TYR 42.A N ALA 38.A O no hydrogen 2.731 N/A TYR 42.A OH GLU 55.A OE2 no hydrogen 2.613 N/A SER 43.A N ALA 39.A O no hydrogen 3.215 N/A GLN 44.A N ILE 40.A O no hydrogen 2.714 N/A GLN 44.A NE2 THR 345.A O no hydrogen 3.193 N/A ARG 45.A N TYR 42.A O no hydrogen 3.154 N/A ARG 45.A NE PHE 311.A O no hydrogen 3.388 N/A ARG 45.A NH1 TYR 41.A O no hydrogen 2.665 N/A ARG 45.A NH1 GLN 44.A OE1 no hydrogen 2.891 N/A ARG 45.A NH2 LEU 312.A O no hydrogen 3.170 N/A THR 46.A N SER 43.A O no hydrogen 3.237 N/A THR 46.A OG1 TYR 42.A O no hydrogen 2.779 N/A THR 47.A OG1 HIS 17.A NE2 no hydrogen 2.776 N/A GLY 49.A N GLY 92.A O no hydrogen 2.773 N/A GLY 50.A N THR 47.A O no hydrogen 2.736 N/A LEU 52.A N ILE 94.A O no hydrogen 2.837 N/A ILE 53.A N LEU 21.A O no hydrogen 2.945 N/A THR 54.A N PHE 96.A O no hydrogen 2.789 N/A THR 54.A OG1 GLU 55.A O no hydrogen 2.800 N/A GLU 55.A N TYR 42.A OH no hydrogen 2.901 N/A THR 57.A OG1 GLU 55.A O no hydrogen 3.131 N/A GLY 58.A N PRO 70.A O no hydrogen 2.629 N/A THR 62.A OG1 HIS 101.A NE2 no hydrogen 3.200 N/A ALA 63.A N SER 60.A O no hydrogen 3.457 N/A GLN 64.A NE2 SER 60.A O no hydrogen 3.018 N/A GLY 71.A N ASN 32.A O no hydrogen 2.972 N/A ILE 72.A N GLY 58.A O no hydrogen 2.523 N/A HIS 77.A N THR 74.A OG1 no hydrogen 3.019 N/A VAL 78.A N THR 74.A O no hydrogen 3.235 N/A GLU 79.A N LYS 75.A O no hydrogen 3.339 N/A GLU 79.A N GLU 76.A O no hydrogen 2.755 N/A ALA 80.A N GLU 76.A O no hydrogen 3.163 N/A TRP 81.A N HIS 77.A O no hydrogen 2.846 N/A TRP 81.A NE1 GLY 71.A O no hydrogen 3.241 N/A LYS 82.A N VAL 78.A O no hydrogen 2.747 N/A LYS 82.A NZ GLU 79.A OE2 no hydrogen 3.441 N/A ILE 84.A N TRP 81.A O no hydrogen 2.594 N/A VAL 85.A N TRP 81.A O no hydrogen 3.135 N/A ASP 86.A N LYS 82.A O no hydrogen 3.050 N/A ALA 87.A N PRO 83.A O no hydrogen 3.145 N/A VAL 88.A N ILE 84.A O no hydrogen 3.230 N/A VAL 88.A N VAL 85.A O no hydrogen 3.115 N/A HIS 89.A N VAL 85.A O no hydrogen 2.867 N/A HIS 89.A ND1 GLY 93.A O no hydrogen 3.214 N/A HIS 89.A NE2 GLY 168.A O no hydrogen 3.137 N/A ALA 90.A N ASP 86.A O no hydrogen 2.657 N/A LYS 91.A N VAL 88.A O no hydrogen 3.266 N/A LYS 91.A NZ SER 43.A O no hydrogen 2.644 N/A LYS 91.A NZ THR 46.A O no hydrogen 3.560 N/A GLY 92.A N HIS 89.A O no hydrogen 2.965 N/A GLY 93.A N VAL 88.A O no hydrogen 3.028 N/A ILE 94.A N GLY 50.A O no hydrogen 2.781 N/A PHE 95.A N ASP 170.A OD2 no hydrogen 2.726 N/A PHE 96.A N LEU 52.A O no hydrogen 2.876 N/A CYS 97.A N GLY 171.A O no hydrogen 3.313 N/A CYS 97.A SG CYS 97.A O no hydrogen 2.743 N/A CYS 97.A SG GLY 171.A O no hydrogen 3.292 N/A GLN 98.A N THR 54.A OG1 no hydrogen 2.796 N/A GLN 98.A NE2 GLU 173.A OE1 no hydrogen 3.098 N/A ILE 99.A N GLU 173.A O no hydrogen 2.639 N/A HIS 101.A NE2 THR 62.A OG1 no hydrogen 3.200 N/A VAL 102.A N ALA 63.A O no hydrogen 2.607 N/A GLY 103.A N HIS 101.A ND1 no hydrogen 3.280 N/A ARG 104.A N GLN 184.A OE1 no hydrogen 2.619 N/A ARG 104.A NH1 LYS 123.A O no hydrogen 2.972 N/A ARG 104.A NH2 MET 235.A O no hydrogen 3.412 N/A VAL 105.A N VAL 102.A O no hydrogen 3.322 N/A SER 106.A OG GLN 64.A O no hydrogen 2.923 N/A SER 106.A OG ASN 107.A O no hydrogen 3.501 N/A ASN 107.A N SER 106.A OG no hydrogen 2.575 N/A SER 108.A N THR 140.A OG1 no hydrogen 2.657 N/A PHE 110.A N ASN 107.A O no hydrogen 2.844 N/A GLN 111.A N ASN 107.A O no hydrogen 3.168 N/A GLN 111.A NE2 THR 62.A O no hydrogen 3.410 N/A GLN 111.A NE2 GLN 64.A O no hydrogen 3.204 N/A GLN 111.A NE2 SER 106.A OG no hydrogen 3.122 N/A GLY 114.A N GLN 111.A O no hydrogen 3.053 N/A LYS 115.A N PRO 112.A O no hydrogen 2.840 N/A SER 119.A N ARG 143.A O no hydrogen 3.310 N/A SER 119.A OG GLN 184.A OE1 no hydrogen 2.680 N/A CYS 120.A SG GLN 184.A O no hydrogen 3.600 N/A CYS 120.A SG VAL 190.A O no hydrogen 3.861 N/A SER 121.A OG VAL 190.A O no hydrogen 2.885 N/A LYS 123.A N SER 121.A OG no hydrogen 3.273 N/A LYS 123.A NZ THR 189.A O no hydrogen 3.046 N/A MET 126.A N GLU 236.A OE2 no hydrogen 2.744 N/A GLN 128.A N GLN 128.A OE1 no hydrogen 2.378 N/A ILE 129.A N MET 126.A O no hydrogen 3.088 N/A SER 131.A OG GLU 136.A O no hydrogen 2.991 N/A LEU 138.A N ILE 129.A O no hydrogen 3.006 N/A ARG 143.A N PRO 117.A O no hydrogen 2.959 N/A ARG 143.A NH1 GLU 149.A OE2 no hydrogen 3.032 N/A ARG 143.A NH2 GLU 149.A OE1 no hydrogen 3.323 N/A ARG 143.A NH2 GLU 149.A OE2 no hydrogen 3.547 N/A ARG 144.A NH1 ASP 192.A OD1 no hydrogen 2.945 N/A ARG 144.A NH2 ASP 122.A OD1 no hydrogen 3.115 N/A ARG 144.A NH2 ASP 192.A OD1 no hydrogen 2.803 N/A ARG 144.A NH2 ASP 192.A OD2 no hydrogen 3.127 N/A LEU 145.A N SER 119.A O no hydrogen 2.929 N/A GLY 146.A N GLU 149.A OE2 no hydrogen 2.870 N/A GLU 148.A N GLU 148.A OE2 no hydrogen 2.675 N/A GLU 149.A N GLY 146.A O no hydrogen 2.691 N/A ILE 153.A N GLU 149.A O no hydrogen 3.243 N/A VAL 154.A N ILE 150.A O no hydrogen 3.060 N/A ASN 155.A N PRO 151.A O no hydrogen 3.125 N/A ASN 155.A N GLY 152.A O no hydrogen 2.793 N/A ASP 156.A N GLY 152.A O no hydrogen 2.890 N/A ASP 156.A N ILE 153.A O no hydrogen 2.855 N/A PHE 157.A N ILE 153.A O no hydrogen 3.275 N/A ARG 158.A N VAL 154.A O no hydrogen 3.426 N/A ARG 158.A NE GLU 218.A OE1 no hydrogen 3.258 N/A LEU 159.A N ASN 155.A O no hydrogen 2.984 N/A ALA 160.A N ASP 156.A O no hydrogen 3.147 N/A ALA 161.A N PHE 157.A O no hydrogen 3.041 N/A ARG 162.A N ARG 158.A O no hydrogen 3.034 N/A ASN 163.A N LEU 159.A O no hydrogen 2.780 N/A ASN 163.A ND2 ILE 72.A O no hydrogen 3.542 N/A ALA 164.A N ALA 160.A O no hydrogen 2.870 N/A MET 165.A N ALA 161.A O no hydrogen 3.055 N/A GLU 166.A N ASN 163.A O no hydrogen 2.916 N/A ALA 167.A N ASN 163.A O no hydrogen 2.934 N/A PHE 169.A N ALA 164.A O no hydrogen 3.030 N/A ASP 170.A N PHE 95.A O no hydrogen 3.155 N/A GLU 173.A N CYS 97.A O no hydrogen 3.127 N/A ILE 174.A N GLY 225.A O no hydrogen 2.977 N/A HIS 175.A N ILE 99.A O no hydrogen 2.843 N/A ALA 177.A N HIS 175.A ND1 no hydrogen 3.245 N/A ASN 178.A N SER 229.A OG no hydrogen 3.220 N/A TYR 180.A N ALA 177.A O no hydrogen 3.272 N/A LEU 181.A N HIS 101.A O no hydrogen 2.810 N/A GLN 184.A N TYR 180.A O no hydrogen 3.047 N/A GLN 184.A NE2 VAL 102.A O no hydrogen 2.862 N/A GLN 184.A NE2 GLY 179.A O no hydrogen 2.699 N/A MET 186.A N ILE 182.A O no hydrogen 3.437 N/A LYS 187.A N ASP 183.A O no hydrogen 2.949 N/A LYS 187.A NZ ASP 183.A OD1 no hydrogen 3.127 N/A LYS 187.A NZ ASP 183.A OD2 no hydrogen 3.031 N/A LYS 187.A NZ SER 229.A O no hydrogen 3.569 N/A LYS 187.A NZ ALA 232.A O no hydrogen 3.482 N/A LYS 187.A NZ SER 237.A O no hydrogen 2.649 N/A ASP 188.A N ASP 239.A OD2 no hydrogen 3.226 N/A THR 189.A OG1 GLY 238.A O no hydrogen 2.581 N/A VAL 190.A N LYS 187.A O no hydrogen 2.984 N/A ASN 191.A N LYS 187.A O no hydrogen 2.584 N/A ASN 191.A ND2 TYR 197.A O no hydrogen 3.213 N/A ARG 193.A N ASN 191.A OD1 no hydrogen 3.368 N/A ARG 193.A NE ASP 195.A OD1 no hydrogen 3.158 N/A ARG 193.A NE ASP 195.A OD2 no hydrogen 3.120 N/A ARG 193.A NH1 CYS 120.A O no hydrogen 3.109 N/A ARG 193.A NH1 LEU 145.A O no hydrogen 2.997 N/A ARG 193.A NH2 LEU 145.A O no hydrogen 2.888 N/A ARG 193.A NH2 ASP 195.A OD1 no hydrogen 2.670 N/A TYR 197.A N ASP 195.A OD2 no hydrogen 2.822 N/A TYR 197.A OH GLU 210.A OE2 no hydrogen 2.536 N/A ASN 203.A N SER 200.A OG no hydrogen 3.331 N/A ASN 203.A ND2 ASP 195.A O no hydrogen 2.903 N/A ASN 203.A ND2 GLY 198.A O no hydrogen 3.010 N/A ARG 204.A N SER 200.A O no hydrogen 2.765 N/A ARG 204.A NE MET 186.A O no hydrogen 3.045 N/A CYS 205.A N LEU 201.A O no hydrogen 2.932 N/A CYS 205.A SG LEU 201.A O no hydrogen 3.664 N/A LYS 206.A N GLN 202.A O no hydrogen 3.178 N/A LYS 206.A NZ GLU 210.A OE2 no hydrogen 3.460 N/A LEU 209.A N CYS 205.A O no hydrogen 2.943 N/A GLU 210.A N LYS 206.A O no hydrogen 2.927 N/A ILE 211.A N PHE 207.A O no hydrogen 3.263 N/A ILE 211.A N PRO 208.A O no hydrogen 3.249 N/A VAL 212.A N PRO 208.A O no hydrogen 2.881 N/A ASP 213.A N LEU 209.A O no hydrogen 2.738 N/A ALA 214.A N GLU 210.A O no hydrogen 2.987 N/A VAL 215.A N ILE 211.A O no hydrogen 2.891 N/A LYS 217.A N ASP 213.A O no hydrogen 3.407 N/A GLU 218.A N ALA 214.A O no hydrogen 2.993 N/A ILE 219.A N VAL 215.A O no hydrogen 2.932 N/A GLY 220.A N ALA 216.A O no hydrogen 2.562 N/A ARG 223.A N GLY 220.A O no hydrogen 3.367 N/A ARG 223.A NH1 ASP 170.A O no hydrogen 2.943 N/A VAL 224.A N PRO 221.A O no hydrogen 2.995 N/A GLY 225.A N VAL 172.A O no hydrogen 3.432 N/A ARG 227.A N ILE 174.A O no hydrogen 2.877 N/A ARG 227.A NH2 HIS 262.A NE2 no hydrogen 3.199 N/A LEU 228.A N HIS 262.A O no hydrogen 3.052 N/A SER 229.A OG SER 229.A O no hydrogen 2.524 N/A SER 237.A N ASP 233.A O no hydrogen 3.092 N/A SER 237.A OG TYR 234.A O no hydrogen 2.612 N/A THR 240.A N ASP 188.A OD1 no hydrogen 2.456 N/A THR 240.A N ASP 188.A OD2 no hydrogen 3.118 N/A THR 240.A OG1 ASP 188.A OD2 no hydrogen 2.535 N/A ASN 241.A N ASP 239.A OD1 no hydrogen 2.802 N/A LEU 245.A N PRO 242.A O no hydrogen 2.659 N/A GLY 246.A N PRO 242.A O no hydrogen 3.472 N/A TYR 248.A N ALA 244.A O no hydrogen 2.990 N/A MET 249.A N LEU 245.A O no hydrogen 2.642 N/A ALA 250.A N GLY 246.A O no hydrogen 2.871 N/A GLU 251.A N LEU 247.A O no hydrogen 2.927 N/A SER 252.A N TYR 248.A O no hydrogen 2.606 N/A SER 252.A OG TYR 248.A O no hydrogen 2.755 N/A LEU 253.A N MET 249.A O no hydrogen 2.992 N/A ASN 254.A N GLU 251.A O no hydrogen 2.991 N/A ASN 254.A ND2 GLU 251.A O no hydrogen 3.581 N/A ASN 254.A ND2 ALA 277.A O no hydrogen 3.083 N/A GLY 257.A N ASN 254.A O no hydrogen 2.500 N/A LEU 259.A N PRO 221.A O no hydrogen 3.003 N/A LEU 259.A N VAL 224.A O no hydrogen 3.054 N/A TYR 260.A OH GLU 173.A OE2 no hydrogen 2.988 N/A CYS 261.A N THR 281.A O no hydrogen 3.005 N/A HIS 262.A N ILE 226.A O no hydrogen 3.125 N/A HIS 262.A ND1 GLU 173.A OE2 no hydrogen 2.550 N/A VAL 263.A N ILE 283.A O no hydrogen 3.353 N/A ILE 264.A N LEU 228.A O no hydrogen 3.284 N/A GLU 265.A N ALA 285.A O no hydrogen 3.042 N/A MET 268.A N ALA 266.A O no hydrogen 2.644 N/A THR 270.A OG1 GLU 265.A OE2 no hydrogen 2.594 N/A MET 274.A N LEU 271.A O no hydrogen 3.270 N/A ARG 275.A N LEU 271.A O no hydrogen 3.183 N/A ARG 275.A NE GLY 300.A O no hydrogen 2.584 N/A ARG 275.A NH1 ASP 303.A OD1 no hydrogen 3.141 N/A ARG 275.A NH1 ASP 303.A OD2 no hydrogen 3.084 N/A ARG 275.A NH2 GLY 300.A O no hydrogen 3.023 N/A ARG 275.A NH2 ASP 303.A OD1 no hydrogen 2.746 N/A LYS 276.A N MET 272.A O no hydrogen 3.189 N/A ALA 277.A N PRO 273.A O no hydrogen 3.103 N/A PHE 278.A N MET 274.A O no hydrogen 3.019 N/A LYS 279.A N ASN 254.A OD1 no hydrogen 2.733 N/A LYS 279.A NZ LYS 276.A O no hydrogen 3.242 N/A LYS 279.A NZ ALA 277.A O no hydrogen 2.620 N/A THR 281.A N LEU 259.A O no hydrogen 3.296 N/A THR 281.A OG1 TYR 8.A OH no hydrogen 2.513 N/A PHE 282.A N ASP 303.A OD2 no hydrogen 2.582 N/A ILE 283.A N CYS 261.A O no hydrogen 2.984 N/A SER 284.A N LEU 304.A O no hydrogen 2.942 N/A SER 284.A OG THR 302.A OG1 no hydrogen 2.843 N/A ARG 290.A NE PHE 321.A O no hydrogen 3.334 N/A ARG 290.A NH2 PHE 321.A O no hydrogen 3.324 N/A GLU 291.A N GLU 291.A OE1 no hydrogen 2.527 N/A ASN 294.A N ARG 290.A O no hydrogen 2.786 N/A GLU 295.A N GLU 291.A O no hydrogen 2.457 N/A ALA 296.A N ASP 292.A O no hydrogen 3.146 N/A VAL 297.A N GLY 293.A O no hydrogen 2.762 N/A SER 298.A N ASN 294.A O no hydrogen 2.757 N/A SER 298.A OG ASN 294.A O no hydrogen 3.164 N/A SER 298.A OG GLU 295.A O no hydrogen 3.470 N/A LYS 299.A N GLU 295.A O no hydrogen 2.895 N/A GLY 300.A N VAL 297.A O no hydrogen 2.761 N/A THR 302.A N ALA 296.A O no hydrogen 2.643 N/A THR 302.A OG1 PHE 282.A O no hydrogen 3.367 N/A THR 302.A OG1 SER 284.A OG no hydrogen 2.843 N/A THR 302.A OG1 LEU 304.A O no hydrogen 2.647 N/A ASP 303.A N PHE 282.A O no hydrogen 3.016 N/A LEU 304.A N PHE 282.A O no hydrogen 3.089 N/A VAL 305.A N ARG 18.A O no hydrogen 2.745 N/A ALA 306.A N SER 284.A O no hydrogen 2.663 N/A TYR 307.A N VAL 20.A O no hydrogen 2.903 N/A TYR 307.A OH THR 289.A O no hydrogen 2.358 N/A PHE 311.A N GLY 308.A O no hydrogen 3.035 N/A LEU 312.A N GLY 308.A O no hydrogen 2.966 N/A ALA 313.A N ARG 309.A O no hydrogen 3.362 N/A ASN 314.A N PHE 311.A O no hydrogen 3.343 N/A ASN 314.A ND2 TRP 310.A O no hydrogen 2.844 N/A ASN 314.A ND2 ASN 328.A O no hydrogen 3.595 N/A LYS 319.A NZ GLN 322.A OE1 no hydrogen 2.662 N/A ARG 320.A NE ASP 316.A O no hydrogen 2.958 N/A ARG 320.A NE ASP 316.A OD2 no hydrogen 3.201 N/A ARG 320.A NH1 PRO 326.A O no hydrogen 3.117 N/A ARG 320.A NH2 ASP 316.A OD2 no hydrogen 2.964 N/A PHE 321.A N LEU 317.A O no hydrogen 2.976 N/A GLN 322.A N LYS 319.A O no hydrogen 2.832 N/A VAL 323.A N LYS 319.A O no hydrogen 2.405 N/A ASN 328.A N ASN 314.A OD1 no hydrogen 3.085 N/A ASN 328.A ND2 ASN 314.A OD1 no hydrogen 3.539 N/A ASP 331.A N TYR 347.A OH no hydrogen 2.681 N/A THR 334.A N ASP 331.A O no hydrogen 2.761 N/A THR 334.A OG1 ASP 331.A O no hydrogen 3.026 N/A THR 334.A OG1 ASP 331.A OD2 no hydrogen 2.611 N/A PHE 335.A N ARG 332.A O no hydrogen 3.057 N/A THR 337.A OG1 THR 334.A O no hydrogen 2.965 N/A VAL 341.A N ASP 339.A OD2 no hydrogen 3.103 N/A VAL 342.A N ASP 339.A OD2 no hydrogen 2.844 N/A GLY 343.A N ASP 346.A OD2 no hydrogen 2.893 N/A TYR 344.A N VAL 341.A O no hydrogen 2.687 N/A THR 345.A N VAL 341.A O no hydrogen 2.834 N/A LEU 350.A N ASP 316.A OD1 no hydrogen 2.547 N/A