Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tgq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 1.A NE1 GLU 47.A OE1 no hydrogen 3.133 N/A THR 7.A OG1 THR 7.A O no hydrogen 2.589 N/A LEU 8.A N GLN 59.A OE1 no hydrogen 3.064 N/A CYS 10.A SG ALA 29.A O no hydrogen 3.219 N/A ALA 11.A N HIS 99.A O no hydrogen 2.392 N/A SER 12.A N VAL 31.A O no hydrogen 2.788 N/A ASP 18.A N LYS 15.A O no hydrogen 3.334 N/A GLU 20.A N ASP 18.A OD1 no hydrogen 2.982 N/A VAL 21.A N SER 92.A O no hydrogen 3.316 N/A HIS 22.A N GLU 20.A OE1 no hydrogen 3.133 N/A ASN 23.A N GLU 20.A OE2 no hydrogen 3.406 N/A VAL 24.A N GLU 20.A O no hydrogen 3.046 N/A TRP 25.A N VAL 21.A O no hydrogen 2.812 N/A ALA 26.A N HIS 22.A O no hydrogen 2.891 N/A THR 27.A N ASN 23.A O no hydrogen 3.218 N/A THR 27.A OG1 ASN 23.A O no hydrogen 2.655 N/A THR 27.A OG1 VAL 24.A O no hydrogen 2.852 N/A HIS 28.A N TRP 25.A O no hydrogen 3.143 N/A ALA 29.A N TRP 25.A O no hydrogen 2.761 N/A CYS 30.A N ALA 26.A O no hydrogen 3.096 N/A VAL 31.A N CYS 10.A O no hydrogen 3.115 N/A THR 33.A OG1 ASP 13.A OD1 no hydrogen 3.133 N/A VAL 40.A N THR 127.A O no hydrogen 3.217 N/A LYS 41.A NZ LEU 42.A O no hydrogen 3.091 N/A LEU 42.A N VAL 125.A O no hydrogen 2.681 N/A THR 46.A OG1 CYS 122.A O no hydrogen 3.334 N/A PHE 49.A N GLY 120.A O no hydrogen 3.001 N/A TRP 52.A N ASN 50.A OD1 no hydrogen 3.124 N/A LYS 53.A N ASN 50.A O no hydrogen 3.418 N/A ASN 54.A ND2 LEU 327.A O no hydrogen 3.369 N/A ASN 54.A ND2 TYR 330.A O no hydrogen 2.987 N/A MET 56.A N ASN 54.A OD1 no hydrogen 3.130 N/A GLU 58.A N ASN 55.A O no hydrogen 2.882 N/A GLN 59.A N ASN 55.A O no hydrogen 3.124 N/A GLN 59.A NE2 THR 6.A O no hydrogen 2.412 N/A MET 60.A N MET 56.A O no hydrogen 3.032 N/A HIS 61.A N VAL 57.A O no hydrogen 3.048 N/A GLU 62.A N GLU 58.A O no hydrogen 2.896 N/A ASP 63.A N GLN 59.A O no hydrogen 3.184 N/A ILE 64.A N MET 60.A O no hydrogen 2.858 N/A ILE 65.A N HIS 61.A O no hydrogen 2.983 N/A SER 66.A N GLU 62.A O no hydrogen 2.890 N/A SER 66.A OG GLU 62.A O no hydrogen 3.093 N/A SER 66.A OG ASP 63.A O no hydrogen 2.743 N/A LEU 67.A N ASP 63.A O no hydrogen 2.825 N/A TRP 68.A N ILE 64.A O no hydrogen 2.904 N/A ASP 69.A N ILE 65.A O no hydrogen 2.972 N/A GLN 70.A N LEU 67.A O no hydrogen 3.042 N/A SER 71.A N LEU 67.A O no hydrogen 2.847 N/A SER 71.A OG LEU 67.A O no hydrogen 2.757 N/A LYS 73.A NZ ASP 69.A O no hydrogen 2.970 N/A CYS 75.A N MET 281.A O no hydrogen 2.428 N/A VAL 76.A N MET 281.A O no hydrogen 3.326 N/A LYS 77.A N ILE 84.A O no hydrogen 2.618 N/A LEU 78.A N LYS 279.A O no hydrogen 2.735 N/A THR 79.A N SER 82.A O no hydrogen 3.216 N/A THR 79.A OG1 SER 82.A OG no hydrogen 2.841 N/A SER 82.A N THR 79.A O no hydrogen 2.862 N/A SER 82.A OG THR 79.A OG1 no hydrogen 2.841 N/A ILE 84.A N LYS 77.A O no hydrogen 2.761 N/A GLN 86.A N CYS 75.A O no hydrogen 3.201 N/A LYS 90.A NZ GLU 242.A OE2 no hydrogen 3.150 N/A LYS 90.A NZ ALA 283.A O no hydrogen 2.805 N/A GLU 94.A N GLU 20.A OE1 no hydrogen 2.934 N/A ILE 98.A N ILE 134.A O no hydrogen 3.025 N/A HIS 99.A N ALA 11.A O no hydrogen 2.647 N/A HIS 99.A ND1 THR 131.A O no hydrogen 2.922 N/A TYR 100.A N THR 131.A OG1 no hydrogen 2.673 N/A TYR 100.A OH ASP 63.A OD1 no hydrogen 3.305 N/A CYS 101.A N PHE 9.A O no hydrogen 3.044 N/A ALA 102.A N GLN 129.A O no hydrogen 3.298 N/A PHE 106.A N PRO 103.A O no hydrogen 3.072 N/A ALA 107.A N VAL 333.A O no hydrogen 2.881 N/A LEU 109.A N LYS 331.A O no hydrogen 2.944 N/A LYS 110.A N SER 126.A O no hydrogen 2.814 N/A ASN 112.A N ASN 124.A O no hydrogen 2.580 N/A ASN 112.A ND2 ASN 124.A O no hydrogen 3.149 N/A ASN 112.A ND2 SER 126.A OG no hydrogen 3.003 N/A GLY 120.A N PHE 49.A O no hydrogen 3.346 N/A CYS 122.A SG ASN 124.A O no hydrogen 3.495 N/A THR 123.A OG1 ASP 113.A OD2 no hydrogen 3.540 N/A ASN 124.A N ASP 113.A OD2 no hydrogen 3.174 N/A SER 126.A N LYS 110.A O no hydrogen 2.977 N/A SER 126.A OG GLU 39.A OE2 no hydrogen 2.836 N/A SER 126.A OG LYS 110.A O no hydrogen 3.523 N/A THR 127.A N VAL 40.A O no hydrogen 2.780 N/A THR 127.A OG1 ILE 108.A O no hydrogen 3.563 N/A THR 131.A N TYR 100.A O no hydrogen 2.495 N/A THR 131.A OG1 TYR 100.A O no hydrogen 2.919 N/A HIS 132.A ND1 TYR 330.A OH no hydrogen 3.183 N/A ILE 134.A N ILE 98.A O no hydrogen 2.870 N/A VAL 137.A N ARG 135.A O no hydrogen 2.605 N/A SER 139.A OG THR 140.A O no hydrogen 3.421 N/A SER 139.A OG LEU 142.A O no hydrogen 2.898 N/A SER 139.A OG SER 236.A O no hydrogen 3.244 N/A THR 140.A N SER 236.A O no hydrogen 2.954 N/A THR 140.A OG1 GLU 231.A O no hydrogen 2.514 N/A THR 140.A OG1 THR 234.A O no hydrogen 3.471 N/A THR 140.A OG1 SER 236.A O no hydrogen 3.238 N/A THR 140.A OG1 SER 236.A OG no hydrogen 2.573 N/A GLN 141.A NE2 ILE 232.A O no hydrogen 2.826 N/A GLN 141.A NE2 VAL 233.A O no hydrogen 2.823 N/A LEU 142.A N THR 140.A O no hydrogen 2.576 N/A LEU 143.A N GLY 298.A O no hydrogen 2.690 N/A ASN 145.A N ASN 295.A O no hydrogen 2.918 N/A SER 147.A N GLU 326.A OE2 no hydrogen 3.082 N/A SER 147.A OG HIS 132.A NE2 no hydrogen 3.236 N/A SER 147.A OG GLU 326.A OE1 no hydrogen 3.143 N/A ALA 149.A N LEU 171.A O no hydrogen 2.706 N/A VAL 154.A N GLN 170.A O no hydrogen 3.073 N/A ARG 156.A N ILE 168.A O no hydrogen 3.076 N/A ARG 156.A NE PHE 116.A O no hydrogen 2.971 N/A ARG 156.A NH1 GLN 170.A OE1 no hydrogen 2.554 N/A ARG 156.A NH2 PHE 116.A O no hydrogen 3.108 N/A ARG 156.A NH2 GLN 170.A OE1 no hydrogen 2.974 N/A ASN 159.A N SER 157.A OG no hydrogen 3.321 N/A THR 161.A OG1 ASN 159.A OD1 no hydrogen 2.660 N/A ASN 163.A N ASN 163.A OD1 no hydrogen 2.504 N/A ASN 163.A ND2 ASP 304.A O no hydrogen 2.387 N/A ALA 164.A N ASN 162.A OD1 no hydrogen 2.909 N/A LYS 165.A N ASN 162.A O no hydrogen 3.381 N/A LYS 165.A NZ GLU 158.A OE1 no hydrogen 3.314 N/A ILE 167.A N LEU 301.A O no hydrogen 3.259 N/A ILE 168.A N ARG 156.A O no hydrogen 2.583 N/A VAL 169.A N LEU 299.A O no hydrogen 3.146 N/A GLN 170.A NE2 SER 147.A O no hydrogen 3.193 N/A GLN 170.A NE2 TYR 328.A OH no hydrogen 3.039 N/A LEU 171.A N THR 297.A O no hydrogen 3.045 N/A ASN 172.A ND2 GLU 151.A O no hydrogen 2.610 N/A VAL 175.A N ILE 296.A O no hydrogen 3.428 N/A ILE 177.A N SER 294.A O no hydrogen 3.059 N/A ASN 178.A N ASN 193.A O no hydrogen 2.764 N/A THR 180.A N HIS 191.A O no hydrogen 2.663 N/A ARG 181.A N ILE 290.A O no hydrogen 2.865 N/A ARG 181.A NE ARG 181.A O no hydrogen 3.189 N/A ARG 181.A NH1 ILE 187.A O no hydrogen 2.841 N/A ARG 181.A NH1 ILE 286.A O no hydrogen 3.217 N/A ARG 181.A NH2 ILE 286.A O no hydrogen 2.729 N/A ARG 181.A NH2 GLY 288.A O no hydrogen 2.525 N/A ARG 188.A N ASP 186.A OD1 no hydrogen 3.404 N/A GLN 189.A N ASP 186.A O no hydrogen 3.159 N/A ALA 190.A N CYS 265.A O no hydrogen 3.208 N/A HIS 191.A N THR 180.A O no hydrogen 3.001 N/A CYS 192.A N LEU 263.A O no hydrogen 3.137 N/A CYS 192.A SG HIS 191.A O no hydrogen 3.319 N/A ASN 193.A N ASN 178.A O no hydrogen 2.623 N/A LEU 194.A N ILE 261.A O no hydrogen 3.201 N/A LYS 196.A N ARG 259.A O no hydrogen 2.910 N/A GLN 198.A N SER 195.A OG no hydrogen 3.337 N/A TRP 199.A N SER 195.A O no hydrogen 3.069 N/A TRP 199.A NE1 LEU 251.A O no hydrogen 3.056 N/A GLU 200.A N LYS 196.A O no hydrogen 3.223 N/A ASN 201.A N THR 197.A O no hydrogen 3.286 N/A THR 202.A OG1 GLN 198.A O no hydrogen 3.274 N/A LEU 203.A N TRP 199.A O no hydrogen 3.260 N/A GLU 204.A N GLU 200.A O no hydrogen 3.288 N/A GLN 205.A N ASN 201.A O no hydrogen 2.953 N/A ILE 206.A N THR 202.A O no hydrogen 2.886 N/A ALA 207.A N LEU 203.A O no hydrogen 3.342 N/A ILE 208.A N GLN 205.A O no hydrogen 3.427 N/A LYS 209.A NZ GLU 152.A OE1 no hydrogen 2.976 N/A LEU 210.A N ILE 206.A O no hydrogen 3.014 N/A LYS 211.A N ILE 208.A O no hydrogen 3.035 N/A LYS 211.A NZ ASN 216.A O no hydrogen 3.515 N/A GLN 213.A NE2 GLN 213.A O no hydrogen 3.051 N/A THR 219.A N GLY 308.A O no hydrogen 3.076 N/A ILE 221.A N GLU 310.A O no hydrogen 2.943 N/A PHE 222.A N TRP 254.A O no hydrogen 3.331 N/A ASN 223.A N PHE 312.A O no hydrogen 2.987 N/A SER 225.A OG ILE 232.A O no hydrogen 3.264 N/A ILE 232.A N ASP 229.A O no hydrogen 3.011 N/A VAL 233.A N ASP 229.A O no hydrogen 3.011 N/A THR 234.A N PRO 230.A O no hydrogen 2.955 N/A THR 234.A OG1 PRO 230.A O no hydrogen 2.771 N/A HIS 235.A N CYS 246.A O no hydrogen 2.609 N/A HIS 235.A ND1 THR 140.A O no hydrogen 2.614 N/A SER 236.A N THR 140.A OG1 no hydrogen 3.003 N/A SER 236.A OG THR 140.A OG1 no hydrogen 2.573 N/A SER 236.A OG GLU 231.A O no hydrogen 2.919 N/A PHE 237.A N PHE 244.A O no hydrogen 3.105 N/A CYS 239.A N GLU 242.A O no hydrogen 2.856 N/A GLU 242.A N CYS 239.A O no hydrogen 3.177 N/A PHE 244.A N PHE 237.A O no hydrogen 2.898 N/A TYR 245.A OH GLU 231.A OE1 no hydrogen 2.505 N/A CYS 246.A N HIS 235.A O no hydrogen 3.050 N/A ASN 247.A N PRO 264.A O no hydrogen 3.159 N/A SER 248.A OG GLN 141.A OE1 no hydrogen 2.341 N/A THR 249.A OG1 ASN 247.A OD1 no hydrogen 3.091 N/A GLN 250.A NE2 THR 262.A O no hydrogen 3.428 N/A PHE 252.A N THR 249.A O no hydrogen 3.282 N/A THR 253.A OG1 THR 249.A O no hydrogen 2.859 N/A TRP 254.A N PHE 222.A O no hydrogen 3.232 N/A ILE 261.A N LEU 194.A O no hydrogen 2.883 N/A THR 262.A OG1 ASN 193.A OD1 no hydrogen 2.462 N/A LEU 263.A N CYS 192.A O no hydrogen 2.896 N/A CYS 265.A N ALA 190.A O no hydrogen 2.844 N/A CYS 265.A SG LEU 263.A O no hydrogen 3.399 N/A ARG 266.A NH1 ASP 186.A OD2 no hydrogen 2.498 N/A ILE 267.A N ARG 188.A O no hydrogen 2.795 N/A LYS 268.A N PHE 243.A O no hydrogen 3.302 N/A ILE 271.A N ALA 280.A O no hydrogen 2.691 N/A ASN 272.A N GLU 231.A OE1 no hydrogen 3.238 N/A ASN 272.A ND2 GLU 231.A OE2 no hydrogen 2.872 N/A MET 273.A N GLY 278.A O no hydrogen 3.198 N/A TRP 274.A N GLN 275.A OE1 no hydrogen 3.228 N/A GLN 275.A N GLN 275.A OE1 no hydrogen 2.751 N/A LYS 279.A N LEU 78.A O no hydrogen 2.977 N/A LYS 279.A NZ ASN 272.A OD1 no hydrogen 3.044 N/A ALA 280.A N ILE 271.A O no hydrogen 2.711 N/A MET 281.A N VAL 76.A O no hydrogen 2.661 N/A TYR 282.A N GLN 269.A O no hydrogen 3.142 N/A ILE 286.A N GLU 242.A OE2 no hydrogen 3.306 N/A SER 293.A OG ASN 178.A OD1 no hydrogen 3.454 N/A SER 294.A N ILE 177.A O no hydrogen 3.325 N/A ASN 295.A N ASN 145.A OD1 no hydrogen 3.398 N/A ILE 296.A N VAL 175.A O no hydrogen 2.936 N/A LEU 299.A N VAL 169.A O no hydrogen 2.857 N/A LEU 300.A N GLN 141.A O no hydrogen 3.198 N/A LEU 301.A N ILE 167.A O no hydrogen 3.448 N/A THR 302.A N ARG 313.A O no hydrogen 2.795 N/A THR 302.A OG1 ARG 313.A O no hydrogen 3.268 N/A ARG 303.A NH2 PHE 160.A O no hydrogen 2.908 N/A ASP 304.A N ILE 311.A O no hydrogen 3.307 N/A THR 309.A OG1 THR 219.A OG1 no hydrogen 3.390 N/A GLU 310.A N THR 219.A O no hydrogen 3.248 N/A PHE 312.A N ILE 221.A O no hydrogen 2.818 N/A ARG 313.A N THR 302.A O no hydrogen 3.214 N/A ARG 313.A NE ASP 304.A OD1 no hydrogen 3.383 N/A ARG 313.A NE ASP 304.A OD2 no hydrogen 3.117 N/A ARG 313.A NH1 PRO 224.A O no hydrogen 3.112 N/A GLY 315.A N LEU 300.A O no hydrogen 2.532 N/A ARG 320.A NE GLU 58.A OE1 no hydrogen 2.815 N/A ARG 320.A NH2 GLU 58.A OE1 no hydrogen 3.376 N/A ASP 321.A N ASP 318.A O no hydrogen 3.002 N/A ASN 322.A ND2 SER 139.A O no hydrogen 3.546 N/A TRP 323.A N MET 319.A O no hydrogen 3.369 N/A TRP 323.A NE1 HIS 61.A ND1 no hydrogen 3.025 N/A ARG 324.A N ARG 320.A O no hydrogen 2.890 N/A ARG 324.A NH1 MET 51.A O no hydrogen 3.348 N/A SER 325.A N ASP 321.A O no hydrogen 3.374 N/A SER 325.A OG ASN 322.A O no hydrogen 2.892 N/A GLU 326.A N TRP 323.A O no hydrogen 3.086 N/A LEU 327.A N TRP 323.A O no hydrogen 2.677 N/A TYR 330.A OH HIS 132.A ND1 no hydrogen 3.183 N/A LYS 331.A N LEU 109.A O no hydrogen 3.235 N/A LYS 331.A NZ GLU 3.A OE1 no hydrogen 3.118 N/A LYS 331.A NZ ASN 48.A O no hydrogen 3.459 N/A VAL 333.A N ALA 107.A O no hydrogen 2.901 N/A LYS 334.A N LYS 2.A O no hydrogen 2.707 N/A ILE 335.A N GLY 105.A O no hydrogen 2.839 N/A