Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wn1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 5.A N SER 68.A OG no hydrogen 3.089 N/A CYS 5.A SG ARG 64.A O no hydrogen 3.320 N/A CYS 5.A SG SER 68.A OG no hydrogen 3.294 N/A THR 6.A N GLU 9.A OE2 no hydrogen 3.396 N/A TRP 10.A N THR 6.A O no hydrogen 3.281 N/A GLN 11.A N SER 7.A O no hydrogen 2.990 N/A GLY 12.A N GLU 8.A O no hydrogen 2.795 N/A LEU 13.A N GLU 9.A O no hydrogen 2.894 N/A MET 14.A N TRP 10.A O no hydrogen 2.873 N/A GLN 15.A N GLY 12.A O no hydrogen 3.238 N/A PHE 16.A N LEU 13.A O no hydrogen 2.641 N/A LEU 22.A N PRO 19.A O no hydrogen 2.852 N/A CYS 23.A N VAL 20.A O no hydrogen 3.201 N/A CYS 23.A SG TYR 46.A OH no hydrogen 3.469 N/A ILE 26.A N LEU 22.A O no hydrogen 3.038 N/A LEU 28.A N GLU 25.A O no hydrogen 2.641 N/A PHE 31.A N LEU 28.A O no hydrogen 3.344 N/A GLY 34.A N ASP 32.A OD2 no hydrogen 2.703 N/A PHE 36.A N ILE 33.A O no hydrogen 2.899 N/A MET 39.A N PHE 36.A O no hydrogen 3.214 N/A TRP 40.A N GLU 37.A O no hydrogen 2.744 N/A TRP 40.A NE1 ILE 33.A O no hydrogen 2.683 N/A ILE 43.A N MET 39.A O no hydrogen 2.671 N/A PHE 44.A N TRP 40.A O no hydrogen 3.492 N/A VAL 45.A N PRO 41.A O no hydrogen 3.362 N/A TYR 46.A N GLY 42.A O no hydrogen 3.015 N/A MET 47.A N ILE 43.A O no hydrogen 3.048 N/A VAL 48.A N PHE 44.A O no hydrogen 2.955 N/A HIS 49.A N VAL 45.A O no hydrogen 3.037 N/A ARG 50.A N TYR 46.A O no hydrogen 2.916 N/A SER 51.A N MET 47.A O no hydrogen 3.016 N/A SER 51.A OG MET 47.A O no hydrogen 3.365 N/A CYS 52.A N VAL 48.A O no hydrogen 2.597 N/A GLY 53.A N HIS 49.A O no hydrogen 2.881 N/A CYS 56.A N GLY 53.A O no hydrogen 3.119 N/A LYS 61.A NZ GLU 58.A OE2 no hydrogen 3.402 N/A LYS 61.A NZ ASN 163.A O no hydrogen 2.421 N/A LEU 62.A N GLU 58.A O no hydrogen 2.765 N/A CYS 63.A N LEU 59.A O no hydrogen 2.969 N/A CYS 63.A SG LEU 59.A O no hydrogen 3.548 N/A ARG 64.A N GLU 60.A O no hydrogen 2.945 N/A ARG 64.A NH1 GLY 161.A O no hydrogen 3.542 N/A ARG 64.A NH2 GLU 60.A OE1 no hydrogen 2.948 N/A PHE 65.A N LYS 61.A O no hydrogen 3.008 N/A ILE 66.A N LEU 62.A O no hydrogen 2.862 N/A MET 67.A N CYS 63.A O no hydrogen 3.166 N/A SER 68.A N ARG 64.A O no hydrogen 3.229 N/A SER 68.A OG ARG 64.A O no hydrogen 3.185 N/A SER 68.A OG HIS 162.A NE2 no hydrogen 2.696 N/A VAL 69.A N PHE 65.A O no hydrogen 3.028 N/A LYS 70.A N ILE 66.A O no hydrogen 3.114 N/A LYS 71.A N MET 67.A O no hydrogen 3.094 N/A LYS 71.A N SER 68.A O no hydrogen 3.228 N/A LYS 71.A NZ ILE 4.A O no hydrogen 3.320 N/A ASN 72.A N SER 68.A O no hydrogen 3.168 N/A ASN 72.A N VAL 69.A O no hydrogen 2.550 N/A ASN 72.A ND2 SER 3.A O no hydrogen 3.113 N/A ASN 72.A ND2 SER 68.A O no hydrogen 2.474 N/A TYR 73.A OH LEU 115.A O no hydrogen 2.602 N/A ARG 74.A NE ASP 120.A OD1 no hydrogen 2.992 N/A ARG 74.A NH2 ASP 120.A OD1 no hydrogen 2.453 N/A ARG 74.A NH2 ASP 120.A OD2 no hydrogen 3.259 N/A TYR 78.A N GLU 249.A OE1 no hydrogen 2.695 N/A HIS 79.A N GLU 249.A OE1 no hydrogen 2.640 N/A HIS 79.A ND1 GLU 249.A OE2 no hydrogen 2.964 N/A ASN 80.A N TYR 78.A O no hydrogen 2.720 N/A ASN 80.A ND2 VAL 76.A O no hydrogen 3.450 N/A HIS 83.A N ASN 80.A O no hydrogen 2.909 N/A HIS 83.A N ASN 80.A OD1 no hydrogen 2.730 N/A HIS 83.A NE2 HIS 117.A NE2 no hydrogen 3.026 N/A ALA 84.A N ASN 80.A O no hydrogen 3.220 N/A VAL 85.A N TRP 81.A O no hydrogen 3.014 N/A THR 86.A N LYS 82.A O no hydrogen 3.164 N/A THR 86.A OG1 LYS 82.A O no hydrogen 2.398 N/A VAL 87.A N HIS 83.A O no hydrogen 2.852 N/A ALA 88.A N ALA 84.A O no hydrogen 2.948 N/A HIS 89.A N VAL 85.A O no hydrogen 2.979 N/A HIS 89.A N THR 86.A O no hydrogen 3.153 N/A HIS 89.A NE2 ILE 26.A O no hydrogen 2.997 N/A CYS 90.A N THR 86.A O no hydrogen 3.229 N/A CYS 90.A N VAL 87.A O no hydrogen 2.810 N/A MET 91.A N VAL 87.A O no hydrogen 3.004 N/A TYR 92.A N ALA 88.A O no hydrogen 3.395 N/A TYR 92.A OH GLU 27.A OE1 no hydrogen 3.309 N/A TYR 92.A OH GLU 27.A OE2 no hydrogen 2.521 N/A ALA 93.A N HIS 89.A O no hydrogen 2.858 N/A ILE 94.A N CYS 90.A O no hydrogen 2.833 N/A LEU 95.A N MET 91.A O no hydrogen 2.844 N/A GLN 96.A N TYR 92.A O no hydrogen 2.933 N/A GLN 96.A NE2 TYR 92.A OH no hydrogen 3.029 N/A ASN 97.A N ALA 93.A O no hydrogen 3.407 N/A ASN 97.A ND2 ALA 93.A O no hydrogen 2.373 N/A ASN 98.A N LEU 95.A O no hydrogen 3.281 N/A ASN 98.A ND2 ILE 94.A O no hydrogen 2.915 N/A LEU 101.A N ASN 98.A O no hydrogen 3.248 N/A THR 103.A N GLU 106.A OE1 no hydrogen 3.056 N/A GLU 106.A N THR 103.A O no hydrogen 3.170 N/A ARG 107.A N THR 103.A O no hydrogen 3.307 N/A LYS 108.A NZ CYS 56.A O no hydrogen 2.828 N/A LEU 110.A N GLU 106.A O no hydrogen 3.126 N/A LEU 111.A N ARG 107.A O no hydrogen 3.077 N/A ILE 112.A N LYS 108.A O no hydrogen 3.061 N/A ALA 113.A N GLY 109.A O no hydrogen 2.790 N/A CYS 114.A N LEU 110.A O no hydrogen 2.622 N/A LEU 115.A N ILE 112.A O no hydrogen 2.967 N/A CYS 116.A N ILE 112.A O no hydrogen 3.008 N/A CYS 116.A N ALA 113.A O no hydrogen 2.742 N/A CYS 116.A SG ILE 112.A O no hydrogen 3.133 N/A HIS 117.A ND1 CYS 114.A O no hydrogen 2.776 N/A HIS 117.A NE2 HIS 83.A NE2 no hydrogen 3.026 N/A ASP 118.A N TYR 73.A OH no hydrogen 3.133 N/A LEU 119.A N CYS 116.A O no hydrogen 2.985 N/A ARG 122.A NE ASP 120.A OD2 no hydrogen 2.956 N/A ARG 122.A NH2 ASP 120.A OD2 no hydrogen 3.472 N/A GLY 123.A N HIS 121.A ND1 no hydrogen 2.902 N/A SER 125.A OG GLU 253.A OE1 no hydrogen 3.537 N/A SER 125.A OG GLU 253.A OE2 no hydrogen 2.788 N/A ASN 126.A ND2 GLU 146.A OE1 no hydrogen 2.667 N/A ASN 126.A ND2 GLU 146.A OE2 no hydrogen 3.451 N/A TYR 128.A N SER 125.A O no hydrogen 3.020 N/A TYR 128.A N SER 125.A OG no hydrogen 2.897 N/A LEU 129.A N SER 125.A O no hydrogen 3.236 N/A GLN 130.A N ASN 126.A O no hydrogen 2.808 N/A GLN 130.A NE2 SER 141.A O no hydrogen 3.028 N/A LYS 131.A N SER 127.A O no hydrogen 3.072 N/A PHE 132.A N GLN 130.A O no hydrogen 2.489 N/A HIS 134.A N LEU 129.A O no hydrogen 3.212 N/A ALA 137.A N HIS 134.A O no hydrogen 2.975 N/A TYR 140.A N LEU 136.A O no hydrogen 3.029 N/A SER 143.A OG ASP 188.A OD2 no hydrogen 2.589 N/A MET 145.A N ASN 126.A OD1 no hydrogen 2.919 N/A GLN 147.A N SER 143.A O no hydrogen 3.180 N/A GLN 147.A N THR 144.A O no hydrogen 3.208 N/A HIS 148.A N THR 144.A O no hydrogen 3.178 N/A HIS 148.A NE2 ASP 120.A OD2 no hydrogen 2.717 N/A HIS 149.A N MET 145.A O no hydrogen 2.539 N/A HIS 149.A ND1 LEU 119.A O no hydrogen 3.239 N/A PHE 150.A N GLN 147.A O no hydrogen 3.102 N/A SER 151.A N GLN 147.A O no hydrogen 2.731 N/A GLN 152.A N HIS 148.A O no hydrogen 2.700 N/A THR 153.A N HIS 149.A O no hydrogen 3.181 N/A THR 153.A OG1 HIS 149.A O no hydrogen 3.108 N/A VAL 154.A N PHE 150.A O no hydrogen 2.549 N/A SER 155.A N SER 151.A O no hydrogen 3.081 N/A SER 155.A OG SER 151.A O no hydrogen 2.970 N/A ILE 156.A N GLN 152.A O no hydrogen 3.485 N/A LEU 157.A N THR 153.A O no hydrogen 3.329 N/A GLN 158.A N VAL 154.A O no hydrogen 3.350 N/A LEU 159.A N ILE 156.A O no hydrogen 3.034 N/A HIS 162.A N LEU 159.A O no hydrogen 2.897 N/A HIS 162.A ND1 GLU 160.A O no hydrogen 2.805 N/A HIS 162.A NE2 SER 68.A OG no hydrogen 2.696 N/A ASN 163.A ND2 LEU 157.A O no hydrogen 3.028 N/A SER 166.A OG ASN 163.A O no hydrogen 2.495 N/A SER 169.A N GLU 172.A OE1 no hydrogen 3.371 N/A SER 169.A OG GLU 172.A OE1 no hydrogen 2.874 N/A GLU 172.A N SER 169.A OG no hydrogen 2.881 N/A TYR 173.A N SER 169.A O no hydrogen 2.692 N/A GLU 174.A N SER 170.A O no hydrogen 3.114 N/A GLN 175.A N SER 171.A O no hydrogen 3.121 N/A GLN 175.A NE2 SER 171.A O no hydrogen 3.447 N/A VAL 176.A N GLU 172.A O no hydrogen 2.911 N/A LEU 177.A N TYR 173.A O no hydrogen 3.119 N/A GLU 178.A N GLU 174.A O no hydrogen 3.143 N/A ILE 179.A N GLN 175.A O no hydrogen 2.758 N/A ILE 180.A N VAL 176.A O no hydrogen 2.806 N/A ARG 181.A N LEU 177.A O no hydrogen 2.809 N/A ARG 181.A NE GLU 178.A OE2 no hydrogen 3.134 N/A LYS 182.A N GLU 178.A O no hydrogen 3.419 N/A LYS 182.A NZ ASP 217.A OD2 no hydrogen 2.617 N/A ALA 183.A N ILE 179.A O no hydrogen 3.064 N/A ILE 184.A N ILE 180.A O no hydrogen 2.800 N/A ILE 185.A N ARG 181.A O no hydrogen 2.901 N/A ALA 186.A N LYS 182.A O no hydrogen 2.853 N/A THR 187.A N ILE 184.A O no hydrogen 3.148 N/A THR 187.A OG1 ILE 184.A O no hydrogen 2.746 N/A ASP 188.A N ILE 185.A O no hydrogen 2.774 N/A LEU 191.A N ASP 188.A O no hydrogen 2.456 N/A TYR 192.A N LEU 189.A O no hydrogen 3.129 N/A ASN 195.A N LEU 191.A O no hydrogen 3.174 N/A ARG 196.A N TYR 192.A O no hydrogen 2.682 N/A ARG 196.A NE PRO 290.A O no hydrogen 2.842 N/A LYS 197.A N PHE 193.A O no hydrogen 2.942 N/A GLN 198.A N GLY 194.A O no hydrogen 3.433 N/A LEU 199.A N ASN 195.A O no hydrogen 3.244 N/A GLU 200.A N ARG 196.A O no hydrogen 2.986 N/A GLU 200.A N LYS 197.A O no hydrogen 2.861 N/A GLU 201.A N LYS 197.A O no hydrogen 3.261 N/A MET 202.A N GLN 198.A O no hydrogen 2.797 N/A TYR 203.A N GLU 200.A O no hydrogen 3.193 N/A GLN 204.A N GLU 200.A O no hydrogen 2.802 N/A THR 205.A N GLU 201.A O no hydrogen 2.846 N/A THR 205.A OG1 GLU 201.A O no hydrogen 2.642 N/A SER 207.A N MET 202.A O no hydrogen 3.140 N/A ASN 209.A N HIS 215.A ND1 no hydrogen 3.060 N/A ARG 216.A N ASN 212.A O no hydrogen 2.830 N/A ASP 217.A N GLN 213.A O no hydrogen 3.297 N/A ARG 218.A N HIS 215.A O no hydrogen 2.777 N/A VAL 219.A N ARG 216.A O no hydrogen 2.710 N/A GLY 221.A N ASP 217.A O no hydrogen 3.121 N/A LEU 222.A N ARG 218.A O no hydrogen 3.093 N/A MET 223.A N VAL 219.A O no hydrogen 2.791 N/A MET 224.A N ILE 220.A O no hydrogen 2.677 N/A THR 225.A N GLY 221.A O no hydrogen 3.094 N/A THR 225.A OG1 GLY 221.A O no hydrogen 3.196 N/A ALA 226.A N LEU 222.A O no hydrogen 2.616 N/A CYS 227.A N MET 223.A O no hydrogen 2.870 N/A CYS 227.A SG MET 223.A O no hydrogen 3.213 N/A ASP 228.A N MET 224.A O no hydrogen 2.722 N/A LEU 229.A N THR 225.A O no hydrogen 3.003 N/A CYS 230.A N CYS 227.A O no hydrogen 3.051 N/A VAL 232.A N LEU 229.A O no hydrogen 2.962 N/A THR 233.A N CYS 230.A O no hydrogen 2.568 N/A THR 233.A OG1 CYS 230.A O no hydrogen 3.073 N/A LYS 234.A NZ PHE 31.A O no hydrogen 2.625 N/A VAL 238.A N LEU 235.A O no hydrogen 2.830 N/A THR 239.A N LEU 235.A O no hydrogen 3.161 N/A THR 239.A OG1 SER 231.A O no hydrogen 2.543 N/A THR 239.A OG1 LYS 234.A O no hydrogen 3.108 N/A LYS 240.A N TRP 236.A O no hydrogen 2.653 N/A LEU 241.A N PRO 237.A O no hydrogen 3.447 N/A THR 242.A N VAL 238.A O no hydrogen 3.130 N/A THR 242.A OG1 VAL 238.A O no hydrogen 2.737 N/A ALA 243.A N THR 239.A O no hydrogen 3.020 N/A ALA 243.A N LYS 240.A O no hydrogen 3.239 N/A ASN 244.A N LEU 241.A O no hydrogen 2.950 N/A ASP 245.A N THR 242.A O no hydrogen 2.878 N/A ILE 246.A N THR 242.A O no hydrogen 3.160 N/A TYR 247.A N ALA 243.A O no hydrogen 2.950 N/A ALA 248.A N ASN 244.A O no hydrogen 2.803 N/A GLU 249.A N ASP 245.A O no hydrogen 3.327 N/A PHE 250.A N ILE 246.A O no hydrogen 2.834 N/A TRP 251.A N TYR 247.A O no hydrogen 3.035 N/A ALA 252.A N ALA 248.A O no hydrogen 2.840 N/A GLU 253.A N GLU 249.A O no hydrogen 3.062 N/A GLU 253.A N PHE 250.A O no hydrogen 2.988 N/A GLY 254.A N PHE 250.A O no hydrogen 2.983 N/A ASP 255.A N TRP 251.A O no hydrogen 2.589 N/A GLU 256.A N GLU 253.A O no hydrogen 3.109 N/A MET 257.A N GLU 253.A O no hydrogen 3.203 N/A LYS 258.A N GLY 254.A O no hydrogen 2.981 N/A LYS 258.A NZ ASP 271.A OD1 no hydrogen 2.562 N/A LYS 259.A N ASP 255.A O no hydrogen 3.145 N/A LYS 259.A NZ GLU 256.A OE2 no hydrogen 3.333 N/A LEU 260.A N MET 257.A O no hydrogen 2.903 N/A GLY 261.A N LYS 258.A O no hydrogen 2.808 N/A ILE 262.A N MET 257.A O no hydrogen 3.147 N/A GLN 263.A NE2 PRO 264.A O no hydrogen 3.202 N/A MET 268.A N ILE 265.A O no hydrogen 2.806 N/A ASP 269.A N PRO 266.A O no hydrogen 3.419 N/A ARG 270.A NE ASP 255.A OD1 no hydrogen 3.489 N/A ARG 270.A NE ASP 255.A OD2 no hydrogen 2.766 N/A ARG 270.A NH2 ASP 255.A OD2 no hydrogen 2.836 N/A ASP 271.A N ASP 269.A OD1 no hydrogen 2.846 N/A LYS 272.A N ASP 269.A O no hydrogen 3.358 N/A LYS 273.A N ARG 270.A O no hydrogen 3.169 N/A GLU 275.A N LYS 272.A O no hydrogen 3.278 N/A GLY 279.A N GLU 275.A O no hydrogen 2.871 N/A GLN 280.A N VAL 276.A O no hydrogen 2.604 N/A GLN 280.A NE2 TYR 247.A OH no hydrogen 3.315 N/A LEU 281.A N PRO 277.A O no hydrogen 2.800 N/A GLY 282.A N GLN 278.A O no hydrogen 3.263 N/A PHE 283.A N GLY 279.A O no hydrogen 3.047 N/A TYR 284.A N GLN 280.A O no hydrogen 2.802 N/A ASN 285.A N LEU 281.A O no hydrogen 2.827 N/A ASN 285.A ND2 LEU 281.A O no hydrogen 3.077 N/A ALA 286.A N GLY 282.A O no hydrogen 2.531 N/A VAL 287.A N PHE 283.A O no hydrogen 2.756 N/A ALA 288.A N PHE 283.A O no hydrogen 3.007 N/A ILE 289.A N TYR 284.A O no hydrogen 2.921 N/A CYS 291.A N VAL 287.A O no hydrogen 3.198 N/A TYR 292.A N ALA 288.A O no hydrogen 2.938 N/A TYR 292.A OH ALA 226.A O no hydrogen 2.567 N/A THR 293.A N ILE 289.A O no hydrogen 2.859 N/A THR 293.A OG1 ILE 289.A O no hydrogen 2.635 N/A THR 294.A N PRO 290.A O no hydrogen 3.248 N/A THR 294.A OG1 PRO 290.A O no hydrogen 2.933 N/A LEU 295.A N CYS 291.A O no hydrogen 3.155 N/A THR 296.A N TYR 292.A O no hydrogen 3.012 N/A THR 296.A OG1 TYR 292.A O no hydrogen 3.007 N/A THR 296.A OG1 THR 302.A O no hydrogen 3.329 N/A GLN 297.A N THR 293.A O no hydrogen 2.797 N/A GLN 297.A NE2 GLU 200.A OE1 no hydrogen 3.209 N/A ILE 298.A N THR 294.A O no hydrogen 3.123 N/A LEU 299.A N LEU 295.A O no hydrogen 2.747 N/A THR 302.A N LEU 299.A O no hydrogen 2.760 N/A THR 302.A OG1 LEU 299.A O no hydrogen 2.472 N/A GLU 303.A N PRO 300.A O no hydrogen 3.238 N/A LEU 305.A N THR 302.A O no hydrogen 3.186 N/A LYS 307.A N GLU 303.A O no hydrogen 2.988 N/A ALA 308.A N PRO 304.A O no hydrogen 2.967 N/A CYS 309.A N LEU 305.A O no hydrogen 2.533 N/A ARG 310.A N LEU 306.A O no hydrogen 3.120 N/A ASP 311.A N LYS 307.A O no hydrogen 3.293 N/A ASN 312.A N ALA 308.A O no hydrogen 3.452 N/A ASN 312.A N CYS 309.A O no hydrogen 3.308 N/A ASN 312.A ND2 VAL 232.A O no hydrogen 2.229 N/A ASN 312.A ND2 LYS 234.A O no hydrogen 2.880 N/A LEU 313.A N CYS 309.A O no hydrogen 3.272 N/A SER 314.A N ARG 310.A O no hydrogen 2.873 N/A GLN 315.A N ASN 312.A O no hydrogen 2.668 N/A TRP 316.A N ASN 312.A O no hydrogen 2.936 N/A TRP 316.A NE1 TYR 284.A OH no hydrogen 3.273 N/A GLU 317.A N LEU 313.A O no hydrogen 2.953 N/A LYS 318.A N SER 314.A O no hydrogen 3.174 N/A VAL 319.A N GLN 315.A O no hydrogen 2.883 N/A ILE 320.A N TRP 316.A O no hydrogen 2.878 N/A ARG 321.A N GLU 317.A O no hydrogen 2.655 N/A