Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wuf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 2.A N ILE 82.A O no hydrogen 3.002 N/A GLN 5.A N ILE 38.A O no hydrogen 2.934 N/A GLN 5.A NE2 ASN 39.A O no hydrogen 2.930 N/A LYS 6.A N ILE 38.A O no hydrogen 3.468 N/A ALA 7.A N ILE 368.A O no hydrogen 2.814 N/A ARG 8.A N GLU 36.A O no hydrogen 2.764 N/A ARG 8.A NH1 GLU 36.A OE2 no hydrogen 3.365 N/A LEU 9.A N GLU 366.A O no hydrogen 2.761 N/A ILE 10.A N ILE 34.A O no hydrogen 2.945 N/A HIS 11.A N SER 364.A O no hydrogen 3.130 N/A HIS 11.A NE2 ASP 31.A OD2 no hydrogen 2.721 N/A ALA 12.A N PHE 32.A O no hydrogen 3.133 N/A GLU 13.A N TYR 361.A O no hydrogen 2.951 N/A LEU 14.A N LYS 30.A O no hydrogen 3.109 N/A LEU 16.A N LYS 28.A O no hydrogen 3.153 N/A LEU 17.A N PHE 324.A O no hydrogen 2.609 N/A PHE 20.A N LEU 27.A O no hydrogen 2.774 N/A THR 22.A N GLY 25.A O no hydrogen 2.854 N/A THR 22.A OG1 ASP 56.A OD2 no hydrogen 2.758 N/A SER 23.A OG ASP 56.A O no hydrogen 3.434 N/A TYR 24.A N ASP 56.A OD2 no hydrogen 3.104 N/A LEU 27.A N PHE 20.A O no hydrogen 2.504 N/A SER 29.A OG GLU 13.A OE1 no hydrogen 2.765 N/A LYS 30.A N LEU 14.A O no hydrogen 2.952 N/A LYS 30.A NZ GLU 50.A OE2 no hydrogen 3.246 N/A LYS 30.A NZ MET 293.A O no hydrogen 3.017 N/A LYS 30.A NZ LEU 294.A O no hydrogen 2.808 N/A PHE 32.A N ALA 12.A O no hydrogen 3.007 N/A ILE 34.A N ILE 10.A O no hydrogen 2.707 N/A ILE 35.A N GLY 47.A O no hydrogen 2.935 N/A GLU 36.A N ARG 8.A O no hydrogen 2.966 N/A LEU 37.A N GLY 45.A O no hydrogen 2.759 N/A ILE 38.A N LYS 6.A O no hydrogen 2.865 N/A ASN 39.A N ILE 43.A O no hydrogen 2.593 N/A GLY 45.A N LEU 37.A O no hydrogen 2.602 N/A TYR 46.A N ASP 111.A OD2 no hydrogen 2.867 N/A GLY 47.A N ILE 35.A O no hydrogen 2.796 N/A LEU 49.A N TYR 33.A O no hydrogen 2.979 N/A TYR 57.A OH ASP 240.A OD1 no hydrogen 3.349 N/A TYR 57.A OH ASP 240.A OD2 no hydrogen 2.624 N/A GLU 60.A N THR 58.A OG1 no hydrogen 3.382 N/A THR 61.A N SER 64.A OG no hydrogen 3.318 N/A THR 61.A OG1 SER 64.A OG no hydrogen 2.810 N/A LEU 62.A N PHE 52.A O no hydrogen 3.073 N/A SER 64.A N THR 61.A OG1 no hydrogen 3.370 N/A SER 64.A OG THR 61.A O no hydrogen 3.086 N/A SER 64.A OG THR 61.A OG1 no hydrogen 2.810 N/A ALA 65.A N THR 61.A O no hydrogen 2.701 N/A ILE 66.A N LEU 62.A O no hydrogen 2.981 N/A ILE 68.A N SER 64.A O no hydrogen 3.060 N/A ILE 69.A N ALA 65.A O no hydrogen 2.855 N/A LYS 70.A N ILE 66.A O no hydrogen 3.153 N/A GLU 71.A N LEU 67.A O no hydrogen 2.845 N/A GLN 72.A N ILE 68.A O no hydrogen 2.575 N/A LEU 73.A N ILE 68.A O no hydrogen 3.153 N/A LEU 74.A N ILE 69.A O no hydrogen 2.902 N/A LEU 76.A N LEU 73.A O no hydrogen 3.147 N/A LEU 77.A N LEU 74.A O no hydrogen 3.127 N/A ALA 78.A N LEU 74.A O no hydrogen 3.294 N/A GLN 79.A NE2 LEU 76.A O no hydrogen 3.191 N/A ARG 80.A NE LEU 76.A O no hydrogen 2.805 N/A ILE 82.A N MET 2.A O no hydrogen 2.865 N/A ARG 83.A N GLU 87.A OE1 no hydrogen 2.555 N/A GLU 87.A N LYS 84.A O no hydrogen 2.864 N/A ILE 88.A N PRO 85.A O no hydrogen 3.200 N/A LEU 91.A N GLU 87.A O no hydrogen 3.197 N/A PHE 92.A N ILE 88.A O no hydrogen 3.283 N/A PHE 92.A N GLN 89.A O no hydrogen 3.211 N/A SER 93.A N GLU 90.A O no hydrogen 2.817 N/A SER 93.A OG GLU 90.A O no hydrogen 2.424 N/A ILE 95.A N PHE 92.A O no hydrogen 2.870 N/A ASN 98.A ND2 GLN 96.A O no hydrogen 2.774 N/A GLU 99.A N GLU 99.A OE1 no hydrogen 2.584 N/A MET 100.A N GLU 60.A OE1 no hydrogen 2.959 N/A ALA 101.A N GLU 60.A OE2 no hydrogen 3.146 N/A LYS 102.A N ASN 98.A O no hydrogen 3.260 N/A LYS 102.A NZ PHE 92.A O no hydrogen 2.668 N/A LYS 102.A NZ ILE 95.A O no hydrogen 2.867 N/A ALA 103.A N GLU 99.A O no hydrogen 2.881 N/A ALA 104.A N MET 100.A O no hydrogen 3.382 N/A VAL 105.A N ALA 101.A O no hydrogen 3.403 N/A GLU 106.A N LYS 102.A O no hydrogen 2.726 N/A LEU 107.A N ALA 103.A O no hydrogen 2.848 N/A ALA 108.A N VAL 105.A O no hydrogen 3.151 N/A VAL 109.A N VAL 105.A O no hydrogen 3.194 N/A TRP 110.A N GLU 106.A O no hydrogen 3.032 N/A ASP 111.A N LEU 107.A O no hydrogen 3.197 N/A ALA 112.A N ALA 108.A O no hydrogen 3.026 N/A PHE 113.A N VAL 109.A O no hydrogen 3.215 N/A PHE 113.A N TRP 110.A O no hydrogen 2.846 N/A ALA 114.A N TRP 110.A O no hydrogen 2.932 N/A LYS 115.A N ASP 111.A O no hydrogen 2.997 N/A LYS 115.A NZ ASP 111.A OD1 no hydrogen 2.881 N/A LYS 115.A NZ ASP 111.A OD2 no hydrogen 3.139 N/A MET 116.A N ALA 112.A O no hydrogen 3.193 N/A GLU 117.A N PHE 113.A O no hydrogen 2.900 N/A LYS 118.A N LYS 115.A O no hydrogen 3.018 N/A ARG 119.A N ALA 114.A O no hydrogen 3.043 N/A SER 120.A OG PRO 344.A O no hydrogen 3.391 N/A SER 120.A OG THR 345.A O no hydrogen 2.926 N/A LEU 121.A N GLY 348.A O no hydrogen 2.598 N/A MET 124.A N SER 120.A O no hydrogen 3.085 N/A ILE 125.A N LEU 121.A O no hydrogen 3.066 N/A GLY 126.A N LYS 123.A O no hydrogen 2.843 N/A ALA 127.A N ALA 122.A O no hydrogen 2.981 N/A LYS 129.A NZ ALA 307.A O no hydrogen 3.236 N/A LYS 129.A NZ ARG 309.A O no hydrogen 2.711 N/A LYS 129.A NZ PHE 312.A O no hydrogen 2.646 N/A ILE 132.A N LEU 341.A O no hydrogen 3.009 N/A VAL 134.A N GLY 339.A O no hydrogen 3.059 N/A GLY 135.A N GLY 316.A O no hydrogen 2.943 N/A VAL 136.A N ARG 161.A O no hydrogen 3.119 N/A ILE 138.A N LYS 163.A O no hydrogen 2.920 N/A GLN 141.A NE2 GLY 139.A O no hydrogen 3.352 N/A THR 146.A OG1 ASN 143.A O no hydrogen 3.149 N/A LEU 148.A N VAL 144.A O no hydrogen 3.033 N/A GLN 149.A N GLU 145.A O no hydrogen 3.216 N/A GLN 149.A NE2 GLU 145.A O no hydrogen 3.698 N/A LEU 150.A N THR 146.A O no hydrogen 3.073 N/A VAL 151.A N LEU 147.A O no hydrogen 2.758 N/A ASN 152.A N LEU 148.A O no hydrogen 3.096 N/A ASN 152.A ND2 LEU 148.A O no hydrogen 3.346 N/A GLN 153.A N GLN 149.A O no hydrogen 3.138 N/A GLN 153.A NE2 GLN 149.A O no hydrogen 3.544 N/A TYR 154.A N LEU 150.A O no hydrogen 3.431 N/A VAL 155.A N VAL 151.A O no hydrogen 3.290 N/A ASP 156.A N ASN 152.A O no hydrogen 3.149 N/A GLN 157.A N GLN 153.A O no hydrogen 2.949 N/A GLY 158.A N VAL 155.A O no hydrogen 3.009 N/A TYR 159.A N TYR 154.A O no hydrogen 3.290 N/A ARG 161.A NH1 GLY 316.A O no hydrogen 3.426 N/A VAL 162.A N SER 186.A O no hydrogen 3.287 N/A LYS 163.A N VAL 136.A O no hydrogen 2.802 N/A LYS 163.A NZ ASP 317.A OD2 no hydrogen 2.595 N/A LEU 164.A N MET 188.A O no hydrogen 2.896 N/A LYS 165.A N ILE 138.A O no hydrogen 2.960 N/A ILE 166.A N ASP 190.A O no hydrogen 2.852 N/A LYS 170.A N ALA 167.A O no hydrogen 2.577 N/A PHE 174.A N ASP 171.A O no hydrogen 3.184 N/A VAL 175.A N ASP 171.A O no hydrogen 3.175 N/A GLU 176.A N ILE 172.A O no hydrogen 3.202 N/A VAL 178.A N PHE 174.A O no hydrogen 3.012 N/A ARG 179.A N VAL 175.A O no hydrogen 2.654 N/A ARG 179.A NE TYR 209.A O no hydrogen 2.998 N/A ARG 179.A NH1 LEU 185.A O no hydrogen 2.922 N/A ARG 179.A NH2 LEU 185.A O no hydrogen 2.813 N/A LYS 180.A N GLU 176.A O no hydrogen 2.530 N/A LYS 180.A NZ GLU 176.A OE1 no hydrogen 3.065 N/A PHE 182.A N VAL 178.A O no hydrogen 2.990 N/A PHE 182.A N ARG 179.A O no hydrogen 3.360 N/A LEU 185.A N PHE 182.A O no hydrogen 3.131 N/A SER 186.A OG GLU 160.A O no hydrogen 2.969 N/A MET 188.A N VAL 162.A O no hydrogen 3.087 N/A ALA 189.A N MET 213.A O no hydrogen 2.916 N/A ASP 190.A N LEU 164.A O no hydrogen 2.834 N/A ALA 191.A N GLU 215.A O no hydrogen 2.958 N/A ASN 192.A N ASP 190.A OD1 no hydrogen 3.053 N/A SER 193.A N GLN 216.A O no hydrogen 2.754 N/A SER 193.A OG PHE 218.A O no hydrogen 2.965 N/A ALA 194.A N ALA 191.A O no hydrogen 2.874 N/A TYR 195.A N PRO 217.A O no hydrogen 3.127 N/A ASN 196.A N ASP 199.A OD2 no hydrogen 2.856 N/A ARG 197.A NE ASP 225.A OD1 no hydrogen 2.771 N/A ARG 197.A NH2 ASP 225.A OD1 no hydrogen 2.970 N/A ASP 199.A N ASN 196.A O no hydrogen 2.989 N/A PHE 200.A N ARG 197.A O no hydrogen 2.843 N/A LEU 203.A N ASP 199.A O no hydrogen 3.170 N/A LYS 204.A N PHE 200.A O no hydrogen 2.786 N/A GLU 205.A N LEU 201.A O no hydrogen 3.095 N/A GLU 205.A N LEU 202.A O no hydrogen 3.159 N/A LEU 206.A N LEU 203.A O no hydrogen 3.340 N/A ASP 207.A N LYS 204.A O no hydrogen 3.122 N/A TYR 209.A N LEU 206.A O no hydrogen 2.989 N/A GLU 212.A N LEU 187.A O no hydrogen 2.727 N/A ILE 214.A N ARG 236.A O no hydrogen 3.042 N/A GLU 215.A N ALA 189.A O no hydrogen 2.780 N/A GLN 216.A N CYS 238.A O no hydrogen 2.670 N/A ASP 222.A N GLY 219.A O no hydrogen 3.306 N/A ASP 225.A N ASP 222.A OD1 no hydrogen 2.983 N/A HIS 226.A N ASP 222.A OD2 no hydrogen 2.728 N/A ALA 227.A N PHE 223.A O no hydrogen 2.947 N/A TRP 228.A N VAL 224.A O no hydrogen 2.974 N/A LEU 229.A N ASP 225.A O no hydrogen 3.094 N/A LEU 229.A N HIS 226.A O no hydrogen 3.045 N/A GLN 230.A N HIS 226.A O no hydrogen 2.789 N/A LYS 231.A N ALA 227.A O no hydrogen 3.221 N/A GLN 232.A N LEU 229.A O no hydrogen 3.019 N/A LEU 233.A N GLN 230.A O no hydrogen 3.116 N/A LYS 234.A N ASP 207.A OD1 no hydrogen 2.610 N/A LYS 234.A N ASP 207.A OD2 no hydrogen 2.858 N/A THR 235.A N ASP 207.A OD2 no hydrogen 2.635 N/A THR 235.A OG1 ASP 207.A OD2 no hydrogen 2.811 N/A ARG 236.A NH1 GLU 212.A O no hydrogen 3.211 N/A CYS 238.A N ILE 214.A O no hydrogen 2.987 N/A CYS 238.A SG LEU 239.A O no hydrogen 3.596 N/A CYS 238.A SG ALA 260.A O no hydrogen 3.646 N/A LEU 239.A N ALA 260.A O no hydrogen 3.258 N/A GLU 241.A N GLU 241.A OE2 no hydrogen 2.645 N/A ASN 242.A ND2 GLN 216.A OE1 no hydrogen 3.142 N/A ILE 243.A N ASP 240.A O no hydrogen 3.087 N/A ARG 244.A N ASP 248.A OD2 no hydrogen 2.865 N/A ARG 244.A NE GLU 241.A O no hydrogen 2.731 N/A ARG 244.A NH1 GLU 59.A OE2 no hydrogen 3.279 N/A ARG 244.A NH1 GLU 99.A OE1 no hydrogen 3.162 N/A ARG 244.A NH2 GLU 59.A OE2 no hydrogen 2.706 N/A ARG 244.A NH2 GLU 241.A O no hydrogen 3.383 N/A SER 245.A OG ASP 248.A OD2 no hydrogen 3.366 N/A ASP 248.A N SER 245.A OG no hydrogen 3.334 N/A VAL 249.A N SER 245.A O no hydrogen 3.003 N/A GLU 250.A N VAL 246.A O no hydrogen 2.773 N/A GLN 251.A N LYS 247.A O no hydrogen 3.179 N/A ALA 252.A N ASP 248.A O no hydrogen 3.193 N/A HIS 253.A N VAL 249.A O no hydrogen 2.770 N/A HIS 253.A ND1 TYR 280.A OH no hydrogen 2.974 N/A SER 254.A N GLU 250.A O no hydrogen 3.006 N/A SER 254.A OG GLU 250.A O no hydrogen 3.437 N/A SER 254.A OG GLN 251.A O no hydrogen 3.220 N/A ILE 255.A N GLN 251.A O no hydrogen 2.909 N/A GLY 256.A N ALA 252.A O no hydrogen 2.832 N/A SER 257.A N ALA 252.A O no hydrogen 2.732 N/A SER 257.A OG PHE 223.A O no hydrogen 2.591 N/A CYS 258.A SG ALA 260.A O no hydrogen 3.762 N/A ARG 259.A N ILE 237.A O no hydrogen 3.060 N/A ARG 259.A NH1 LEU 233.A O no hydrogen 3.164 N/A ARG 259.A NH1 LYS 234.A O no hydrogen 2.562 N/A ALA 260.A N ILE 237.A O no hydrogen 3.004 N/A ILE 261.A N LEU 287.A O no hydrogen 2.647 N/A ASN 262.A N LEU 239.A O no hydrogen 2.996 N/A ASN 262.A ND2 GLU 215.A OE2 no hydrogen 3.022 N/A LEU 263.A N TRP 289.A O no hydrogen 2.855 N/A LYS 264.A NZ TYR 57.A OH no hydrogen 2.945 N/A LYS 264.A NZ GLY 292.A O no hydrogen 3.432 N/A ARG 267.A NE ILE 243.A O no hydrogen 2.664 N/A ARG 267.A NH1 ILE 243.A O no hydrogen 2.797 N/A ARG 267.A NH1 ASN 262.A O no hydrogen 3.027 N/A ARG 267.A NH2 ASN 262.A O no hydrogen 2.771 N/A VAL 268.A N LYS 264.A O no hydrogen 3.149 N/A VAL 268.A N LEU 265.A O no hydrogen 3.197 N/A GLY 269.A N ALA 266.A O no hydrogen 3.117 N/A GLY 270.A N LEU 265.A O no hydrogen 3.092 N/A MET 271.A N GLU 106.A OE1 no hydrogen 2.763 N/A SER 272.A N GLU 106.A OE2 no hydrogen 3.065 N/A SER 272.A OG GLU 106.A OE2 no hydrogen 3.187 N/A SER 273.A OG VAL 268.A O no hydrogen 2.624 N/A ALA 274.A N GLY 270.A O no hydrogen 3.107 N/A LEU 275.A N MET 271.A O no hydrogen 2.946 N/A LYS 276.A N SER 272.A O no hydrogen 3.152 N/A LYS 276.A NZ GLN 89.A OE1 no hydrogen 3.258 N/A ILE 277.A N SER 273.A O no hydrogen 3.117 N/A ALA 278.A N ALA 274.A O no hydrogen 2.902 N/A GLU 279.A N LEU 275.A O no hydrogen 2.856 N/A TYR 280.A N LYS 276.A O no hydrogen 3.062 N/A TYR 280.A OH HIS 253.A ND1 no hydrogen 2.974 N/A CYS 281.A N ILE 277.A O no hydrogen 2.882 N/A CYS 281.A SG ILE 277.A O no hydrogen 3.384 N/A ALA 282.A N ALA 278.A O no hydrogen 3.023 N/A LEU 283.A N GLU 279.A O no hydrogen 3.115 N/A ASN 284.A N CYS 281.A O no hydrogen 3.186 N/A ILE 286.A N CYS 281.A O no hydrogen 2.905 N/A LEU 287.A N ARG 259.A O no hydrogen 2.995 N/A TRP 289.A N ILE 261.A O no hydrogen 3.374 N/A GLY 291.A N LEU 263.A O no hydrogen 3.012 N/A MET 293.A N GLU 295.A OE1 no hydrogen 2.809 N/A GLU 295.A N GLU 295.A OE1 no hydrogen 2.698 N/A ALA 296.A N GLU 48.A OE2 no hydrogen 2.907 N/A GLY 297.A N ASP 328.A OD1 no hydrogen 2.798 N/A GLY 299.A N GLU 48.A OE1 no hydrogen 2.627 N/A ARG 300.A N ALA 296.A O no hydrogen 3.097 N/A ARG 300.A NH2 ASP 328.A OD2 no hydrogen 3.455 N/A ALA 301.A N GLY 297.A O no hydrogen 3.099 N/A HIS 302.A N VAL 298.A O no hydrogen 3.344 N/A HIS 302.A ND1 VAL 298.A O no hydrogen 3.335 N/A HIS 302.A NE2 LEU 107.A O no hydrogen 2.904 N/A ASN 303.A N GLY 299.A O no hydrogen 3.078 N/A ASN 303.A ND2 GLY 291.A O no hydrogen 3.491 N/A ILE 304.A N ARG 300.A O no hydrogen 2.927 N/A ALA 305.A N ALA 301.A O no hydrogen 3.369 N/A LEU 306.A N HIS 302.A O no hydrogen 3.084 N/A ALA 307.A N ASN 303.A O no hydrogen 2.908 N/A ALA 308.A N ILE 304.A O no hydrogen 3.083 N/A ARG 309.A N LEU 306.A O no hydrogen 3.027 N/A ARG 309.A NE ILE 125.A O no hydrogen 2.797 N/A ARG 309.A NH1 GLU 311.A OE2 no hydrogen 2.877 N/A ARG 309.A NH2 ILE 125.A O no hydrogen 3.551 N/A ARG 309.A NH2 GLU 279.A OE2 no hydrogen 3.264 N/A GLU 311.A N GLU 311.A OE2 no hydrogen 2.597 N/A ASP 317.A N CYS 290.A O no hydrogen 2.675 N/A SER 319.A OG ALA 320.A O no hydrogen 3.338 N/A SER 321.A OG ASP 328.A OD2 no hydrogen 2.988 N/A ARG 323.A N ALA 320.A O no hydrogen 2.856 N/A PHE 324.A N SER 321.A O no hydrogen 2.910 N/A PHE 325.A N SER 321.A O no hydrogen 2.912 N/A ILE 329.A N ASP 328.A OD1 no hydrogen 2.724 N/A THR 331.A N THR 352.A O no hydrogen 2.632 N/A THR 331.A OG1 THR 352.A O no hydrogen 2.966 N/A ASN 337.A N ARG 340.A O no hydrogen 2.983 N/A LEU 341.A N ILE 132.A O no hydrogen 3.013 N/A LYS 342.A NZ GLU 335.A OE2 no hydrogen 2.896 N/A VAL 343.A N GLU 130.A O no hydrogen 2.869 N/A GLY 348.A N ARG 119.A O no hydrogen 2.839 N/A ILE 349.A N ASP 111.A OD1 no hydrogen 2.735 N/A GLY 350.A N GLU 347.A O no hydrogen 3.206 N/A THR 352.A N THR 331.A OG1 no hydrogen 3.218 N/A THR 352.A OG1 THR 331.A OG1 no hydrogen 3.174 N/A ASP 354.A N ILE 329.A O no hydrogen 3.471 N/A LEU 358.A N ASP 354.A O no hydrogen 2.766 N/A LYS 359.A N LEU 355.A O no hydrogen 3.207 N/A LYS 360.A NZ GLU 327.A OE1 no hydrogen 2.752 N/A TYR 361.A N LEU 358.A O no hydrogen 2.691 N/A THR 362.A N LYS 359.A O no hydrogen 3.432 N/A THR 362.A OG1 LEU 358.A O no hydrogen 2.796 N/A LYS 363.A N HIS 11.A O no hydrogen 2.649 N/A LYS 363.A NZ HIS 11.A NE2 no hydrogen 3.269 N/A LYS 363.A NZ GLU 13.A OE2 no hydrogen 2.632 N/A LYS 363.A NZ ASP 31.A OD1 no hydrogen 3.259 N/A LYS 363.A NZ ASP 31.A OD2 no hydrogen 2.888 N/A GLU 366.A N LEU 9.A O no hydrogen 3.166 N/A ILE 368.A N ALA 7.A O no hydrogen 2.643 N/A LEU 370.A N GLN 5.A O no hydrogen 2.855 N/A ASN 371.A ND2 GLU 40.A OE2 no hydrogen 3.364 N/A