Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rua_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N SER 112.A OG no hydrogen 3.237 N/A VAL 3.A N SER 145.A O no hydrogen 2.703 N/A LEU 4.A N LEU 109.A O no hydrogen 2.798 N/A PHE 5.A N GLY 143.A O no hydrogen 2.642 N/A VAL 6.A N ALA 107.A O no hydrogen 2.709 N/A ASP 7.A N THR 141.A O no hydrogen 3.010 N/A PHE 8.A N ASP 105.A O no hydrogen 2.957 N/A ASP 9.A N THR 139.A O no hydrogen 3.321 N/A GLN 14.A N TYR 10.A O no hydrogen 2.774 N/A GLN 14.A NE2 ASP 9.A O no hydrogen 2.847 N/A GLN 14.A NE2 THR 139.A O no hydrogen 3.049 N/A VAL 15.A N PHE 11.A O no hydrogen 2.966 N/A GLU 16.A N TYR 12.A O no hydrogen 2.953 N/A GLU 17.A N ALA 13.A O no hydrogen 2.877 N/A VAL 18.A N GLN 14.A O no hydrogen 2.929 N/A LEU 19.A N VAL 15.A O no hydrogen 2.980 N/A ASN 20.A N GLU 16.A O no hydrogen 3.028 N/A LEU 23.A N ASN 20.A O no hydrogen 2.891 N/A LYS 24.A N PRO 21.A O no hydrogen 3.047 N/A LYS 26.A N LEU 23.A O no hydrogen 2.751 N/A LYS 26.A NZ SER 22.A O no hydrogen 2.532 N/A VAL 28.A N ASN 47.A OD1 no hydrogen 2.906 N/A VAL 29.A N VAL 72.A O no hydrogen 2.696 N/A VAL 30.A N THR 45.A O no hydrogen 3.092 N/A CYS 31.A N LEU 74.A O no hydrogen 2.940 N/A CYS 31.A SG VAL 29.A O no hydrogen 3.670 N/A CYS 31.A SG LEU 74.A O no hydrogen 3.668 N/A VAL 32.A N ALA 42.A O no hydrogen 2.859 N/A SER 34.A OG SER 40.A OG no hydrogen 2.739 N/A GLY 35.A N SER 40.A OG no hydrogen 2.976 N/A ARG 36.A N SER 40.A OG no hydrogen 3.328 N/A ARG 36.A NE MET 251.A O no hydrogen 3.261 N/A ARG 36.A NH1 ASN 254.A OD1 no hydrogen 2.965 N/A ARG 36.A NH2 MET 251.A O no hydrogen 3.223 N/A ARG 36.A NH2 ASN 254.A OD1 no hydrogen 2.675 N/A SER 40.A N PHE 37.A O no hydrogen 2.986 N/A SER 40.A OG SER 34.A OG no hydrogen 2.739 N/A SER 40.A OG PHE 37.A O no hydrogen 3.135 N/A ALA 42.A N VAL 32.A O no hydrogen 3.307 N/A VAL 43.A N ILE 59.A O no hydrogen 2.952 N/A ALA 44.A N VAL 30.A O no hydrogen 3.014 N/A ASN 47.A N VAL 28.A O no hydrogen 3.119 N/A ASN 47.A ND2 GLU 17.A OE2 no hydrogen 3.145 N/A ASN 47.A ND2 LYS 26.A O no hydrogen 2.756 N/A ALA 50.A N ASN 47.A O no hydrogen 2.890 N/A ALA 50.A N ASN 47.A OD1 no hydrogen 3.452 N/A ARG 51.A N ASN 47.A O no hydrogen 3.114 N/A ARG 51.A NE ALA 46.A O no hydrogen 3.363 N/A ARG 51.A NH2 ALA 46.A O no hydrogen 2.831 N/A LYS 52.A N TYR 48.A O no hydrogen 2.929 N/A PHE 53.A N ALA 50.A O no hydrogen 3.249 N/A GLY 54.A N ARG 51.A O no hydrogen 3.079 N/A VAL 55.A N ALA 50.A O no hydrogen 3.332 N/A GLY 58.A N VAL 43.A O no hydrogen 3.107 N/A ILE 61.A N GLY 41.A O no hydrogen 3.156 N/A GLU 63.A N PRO 60.A O no hydrogen 3.077 N/A ALA 64.A N PRO 60.A O no hydrogen 3.185 N/A LYS 65.A N ILE 61.A O no hydrogen 3.131 N/A LYS 65.A NZ ASP 39.A OD2 no hydrogen 2.850 N/A LYS 66.A N VAL 62.A O no hydrogen 3.336 N/A LYS 66.A NZ LYS 66.A O no hydrogen 3.488 N/A ILE 67.A N ALA 64.A O no hydrogen 3.272 N/A LEU 68.A N ALA 64.A O no hydrogen 2.879 N/A VAL 72.A N PRO 27.A O no hydrogen 3.046 N/A TYR 73.A OH ALA 64.A O no hydrogen 3.082 N/A TYR 73.A OH LEU 68.A O no hydrogen 2.665 N/A LEU 74.A N VAL 29.A O no hydrogen 2.902 N/A MET 76.A N CYS 31.A O no hydrogen 3.136 N/A ARG 77.A N TYR 81.A OH no hydrogen 3.240 N/A ARG 77.A NE GLU 16.A OE2 no hydrogen 3.286 N/A ARG 77.A NH2 GLU 16.A OE1 no hydrogen 2.929 N/A ARG 77.A NH2 GLU 16.A OE2 no hydrogen 3.531 N/A LYS 78.A NZ TYR 12.A OH no hydrogen 3.146 N/A VAL 80.A N ARG 77.A O no hydrogen 3.060 N/A TYR 81.A N ARG 77.A O no hydrogen 3.459 N/A TYR 81.A OH GLU 16.A OE2 no hydrogen 2.836 N/A GLN 82.A N LYS 78.A O no hydrogen 2.773 N/A GLN 82.A NE2 GLN 82.A O no hydrogen 3.113 N/A GLN 83.A N GLU 79.A O no hydrogen 3.114 N/A VAL 84.A N VAL 80.A O no hydrogen 3.039 N/A SER 85.A N TYR 81.A O no hydrogen 2.925 N/A SER 85.A OG ILE 104.A O no hydrogen 2.712 N/A SER 86.A N GLN 82.A O no hydrogen 3.112 N/A SER 86.A OG GLN 82.A O no hydrogen 2.951 N/A ARG 87.A N GLN 83.A O no hydrogen 2.961 N/A ARG 87.A NE GLU 136.A OE2 no hydrogen 2.920 N/A ILE 88.A N VAL 84.A O no hydrogen 3.092 N/A MET 89.A N SER 85.A O no hydrogen 2.747 N/A ASN 90.A N SER 86.A O no hydrogen 3.101 N/A LEU 91.A N ARG 87.A O no hydrogen 3.320 N/A LEU 91.A N ILE 88.A O no hydrogen 3.225 N/A LEU 92.A N MET 89.A O no hydrogen 2.987 N/A ARG 93.A N MET 89.A O no hydrogen 3.058 N/A ARG 93.A NH1 ASN 90.A OD1 no hydrogen 2.821 N/A TYR 95.A N LEU 92.A O no hydrogen 2.835 N/A SER 96.A N ARG 93.A O no hydrogen 3.394 N/A SER 96.A OG ASP 110.A O no hydrogen 2.674 N/A LYS 98.A N SER 96.A OG no hydrogen 3.315 N/A GLU 100.A N TYR 108.A O no hydrogen 3.196 N/A ALA 102.A N GLU 106.A O no hydrogen 3.172 N/A ASP 105.A N SER 103.A OG no hydrogen 3.232 N/A ALA 107.A N VAL 6.A O no hydrogen 2.916 N/A TYR 108.A N GLU 100.A O no hydrogen 2.975 N/A ASP 110.A N LYS 98.A O no hydrogen 3.018 N/A ILE 111.A N ILE 2.A O no hydrogen 3.104 N/A SER 112.A N ASP 110.A OD1 no hydrogen 3.008 N/A SER 112.A OG ASP 110.A OD2 no hydrogen 2.954 N/A LYS 114.A N ILE 111.A O no hydrogen 3.429 N/A VAL 115.A N ILE 111.A O no hydrogen 3.143 N/A ALA 121.A N ASP 117.A O no hydrogen 3.053 N/A TYR 122.A N TYR 118.A O no hydrogen 3.192 N/A ASN 123.A N ARG 119.A O no hydrogen 3.248 N/A LEU 124.A N GLU 120.A O no hydrogen 3.222 N/A GLY 125.A N ALA 121.A O no hydrogen 2.588 N/A LEU 126.A N TYR 122.A O no hydrogen 2.907 N/A GLU 127.A N ASN 123.A O no hydrogen 2.916 N/A ILE 128.A N LEU 124.A O no hydrogen 3.124 N/A LYS 129.A N GLY 125.A O no hydrogen 2.834 N/A LYS 129.A NZ VAL 140.A O no hydrogen 2.533 N/A LYS 129.A NZ ASN 161.A O no hydrogen 2.894 N/A LYS 129.A NZ ASN 161.A OD1 no hydrogen 2.737 N/A LYS 129.A NZ GLY 162.A O no hydrogen 3.081 N/A ASN 130.A N LEU 126.A O no hydrogen 2.798 N/A LYS 131.A N GLU 127.A O no hydrogen 2.670 N/A ILE 132.A N ILE 128.A O no hydrogen 2.817 N/A LEU 133.A N LYS 129.A O no hydrogen 3.078 N/A GLU 134.A N ASN 130.A O no hydrogen 2.857 N/A LYS 135.A N LYS 131.A O no hydrogen 2.864 N/A GLU 136.A N ILE 132.A O no hydrogen 2.816 N/A LYS 137.A N LEU 133.A O no hydrogen 2.747 N/A THR 139.A N GLN 14.A OE1 no hydrogen 2.655 N/A THR 141.A N ASP 7.A O no hydrogen 2.849 N/A THR 141.A OG1 ASP 9.A OD1 no hydrogen 3.161 N/A THR 141.A OG1 ASP 9.A OD2 no hydrogen 3.417 N/A VAL 142.A N GLY 162.A O no hydrogen 3.084 N/A GLY 143.A N PHE 5.A O no hydrogen 2.901 N/A ILE 144.A N LYS 164.A O no hydrogen 3.109 N/A SER 145.A N VAL 3.A O no hydrogen 3.145 N/A SER 145.A OG ILE 166.A O no hydrogen 2.671 N/A LYS 146.A N SER 145.A OG no hydrogen 2.518 N/A LYS 146.A NZ ASP 168.A OD1 no hydrogen 3.149 N/A LYS 146.A NZ ASP 231.A OD1 no hydrogen 3.067 N/A LYS 146.A NZ ASP 231.A OD2 no hydrogen 3.558 N/A ASN 147.A ND2 TYR 233.A O no hydrogen 3.276 N/A LYS 148.A NZ GLU 100.A OE2 no hydrogen 2.849 N/A LYS 148.A NZ PRO 236.A O no hydrogen 3.215 N/A PHE 150.A N ASN 147.A OD1 no hydrogen 3.100 N/A ALA 151.A N ASN 147.A O no hydrogen 3.116 N/A LYS 152.A N LYS 148.A O no hydrogen 3.043 N/A ILE 153.A N VAL 149.A O no hydrogen 3.015 N/A ALA 154.A N PHE 150.A O no hydrogen 2.754 N/A ALA 155.A N ALA 151.A O no hydrogen 3.034 N/A ASP 156.A N LYS 152.A O no hydrogen 3.177 N/A MET 157.A N ILE 153.A O no hydrogen 2.931 N/A ALA 158.A N ALA 154.A O no hydrogen 3.073 N/A LYS 159.A N ASP 156.A O no hydrogen 3.512 N/A LYS 159.A NZ ASP 7.A OD2 no hydrogen 3.470 N/A LYS 159.A NZ ASP 156.A OD1 no hydrogen 3.312 N/A ASN 161.A N ASP 9.A OD2 no hydrogen 3.053 N/A GLY 162.A N THR 141.A OG1 no hydrogen 3.149 N/A LYS 164.A N VAL 142.A O no hydrogen 2.979 N/A ILE 166.A N ILE 144.A O no hydrogen 2.992 N/A GLU 170.A N ASP 167.A OD2 no hydrogen 3.311 N/A LYS 172.A N GLU 169.A O no hydrogen 2.727 N/A ARG 173.A N GLU 170.A O no hydrogen 2.968 N/A ARG 173.A NH2 GLU 170.A OE2 no hydrogen 2.733 N/A LEU 174.A N GLU 170.A O no hydrogen 3.360 N/A ILE 175.A N VAL 171.A O no hydrogen 2.899 N/A ARG 176.A N ARG 173.A O no hydrogen 2.794 N/A GLU 177.A N ARG 173.A O no hydrogen 2.364 N/A LEU 178.A N LEU 174.A O no hydrogen 2.757 N/A ILE 180.A N ASN 200.A O no hydrogen 3.406 N/A ALA 181.A N ASP 179.A OD1 no hydrogen 2.954 N/A ASP 182.A N ASP 179.A O no hydrogen 3.200 N/A VAL 183.A N ILE 180.A O no hydrogen 3.116 N/A ILE 186.A N VAL 183.A O no hydrogen 3.119 N/A ALA 191.A N GLY 187.A O no hydrogen 2.809 N/A GLU 192.A N ASN 188.A O no hydrogen 2.980 N/A LYS 193.A N ILE 189.A O no hydrogen 3.400 N/A LEU 194.A N THR 190.A O no hydrogen 3.204 N/A LYS 195.A N ALA 191.A O no hydrogen 2.842 N/A LYS 196.A N GLU 192.A O no hydrogen 3.024 N/A LEU 197.A N LEU 194.A O no hydrogen 2.998 N/A GLY 198.A N LYS 195.A O no hydrogen 2.912 N/A ASN 200.A N ASP 204.A OD2 no hydrogen 3.232 N/A LYS 201.A NZ GLU 177.A O no hydrogen 3.041 N/A ASP 204.A N LYS 201.A O no hydrogen 3.045 N/A THR 205.A OG1 LEU 202.A O no hydrogen 2.809 N/A LEU 206.A N VAL 203.A O no hydrogen 3.140 N/A SER 207.A OG ASP 204.A O no hydrogen 2.674 N/A LYS 212.A N GLU 209.A O no hydrogen 3.022 N/A LYS 212.A NZ LYS 212.A O no hydrogen 3.416 N/A LYS 214.A N PHE 210.A O no hydrogen 2.719 N/A GLY 215.A N ASP 211.A O no hydrogen 3.295 N/A MET 216.A N LYS 212.A O no hydrogen 3.168 N/A ILE 217.A N LEU 213.A O no hydrogen 2.993 N/A LYS 221.A NZ GLY 185.A O no hydrogen 3.003 N/A ALA 222.A N GLY 218.A O no hydrogen 2.847 N/A LYS 223.A N GLU 219.A O no hydrogen 2.698 N/A TYR 224.A N ALA 220.A O no hydrogen 2.720 N/A TYR 224.A OH PRO 184.A O no hydrogen 2.601 N/A LEU 225.A N LYS 221.A O no hydrogen 3.052 N/A ILE 226.A N ALA 222.A O no hydrogen 2.894 N/A SER 227.A N LYS 223.A O no hydrogen 2.920 N/A SER 227.A OG LYS 223.A O no hydrogen 2.737 N/A SER 227.A OG TYR 224.A O no hydrogen 2.507 N/A LEU 228.A N TYR 224.A O no hydrogen 3.164 N/A ALA 229.A N LEU 225.A O no hydrogen 2.943 N/A ARG 230.A N ILE 226.A O no hydrogen 2.713 N/A ASP 231.A N SER 227.A O no hydrogen 2.823 N/A GLU 232.A N SER 227.A O no hydrogen 2.806 N/A TYR 233.A N SER 227.A O no hydrogen 3.103 N/A ASN 234.A ND2 LYS 146.A O no hydrogen 3.634 N/A ASN 234.A ND2 TYR 233.A O no hydrogen 3.649 N/A ARG 238.A NE ILE 237.A O no hydrogen 3.391 N/A ARG 240.A NE GLU 100.A OE1 no hydrogen 3.023 N/A ARG 240.A NH2 GLU 100.A OE1 no hydrogen 3.110 N/A SER 244.A OG PHE 337.A O no hydrogen 3.552 N/A ILE 245.A N PHE 337.A O no hydrogen 2.854 N/A ARG 247.A NH1 GLY 246.A O no hydrogen 3.493 N/A VAL 249.A N ILE 333.A O no hydrogen 2.874 N/A MET 251.A N ARG 331.A O no hydrogen 3.104 N/A LYS 252.A N TYR 264.A OH no hydrogen 2.882 N/A LYS 252.A NZ GLY 35.A O no hydrogen 3.022 N/A SER 255.A N ILE 330.A O no hydrogen 3.012 N/A ARG 256.A NE ARG 328.A O no hydrogen 2.883 N/A ARG 256.A NH2 LEU 323.A O no hydrogen 2.431 N/A ARG 256.A NH2 ASP 326.A O no hydrogen 2.858 N/A ASN 257.A N SER 255.A OG no hydrogen 2.871 N/A GLU 260.A N ASN 257.A OD1 no hydrogen 2.791 N/A ILE 261.A N ASN 257.A O no hydrogen 3.356 N/A ILE 261.A N LEU 258.A O no hydrogen 2.971 N/A LYS 262.A N LEU 258.A O no hydrogen 2.957 N/A LEU 265.A N ILE 261.A O no hydrogen 3.269 N/A PHE 266.A N LYS 262.A O no hydrogen 2.835 N/A ARG 267.A N PRO 263.A O no hydrogen 2.985 N/A ALA 268.A N TYR 264.A O no hydrogen 3.288 N/A ILE 269.A N LEU 265.A O no hydrogen 3.086 N/A GLU 270.A N PHE 266.A O no hydrogen 3.238 N/A GLU 271.A N ARG 267.A O no hydrogen 3.026 N/A SER 272.A N ALA 268.A O no hydrogen 3.032 N/A SER 272.A OG ALA 268.A O no hydrogen 2.461 N/A TYR 273.A N ILE 269.A O no hydrogen 2.778 N/A TYR 273.A OH ILE 306.A O no hydrogen 2.650 N/A TYR 274.A N GLU 270.A O no hydrogen 2.853 N/A LYS 275.A N GLU 271.A O no hydrogen 2.803 N/A LEU 276.A N SER 272.A O no hydrogen 2.766 N/A ASP 277.A N TYR 274.A O no hydrogen 3.394 N/A ARG 279.A NE LEU 276.A O no hydrogen 3.092 N/A LYS 282.A N LYS 339.A O no hydrogen 3.083 N/A LYS 282.A NZ PHE 340.A O no hydrogen 3.477 N/A ALA 283.A N SER 338.A O no hydrogen 3.185 N/A ILE 284.A N ARG 300.A O no hydrogen 3.164 N/A HIS 285.A N ARG 336.A O no hydrogen 2.975 N/A VAL 286.A N ARG 298.A O no hydrogen 2.847 N/A VAL 287.A N GLY 334.A O no hydrogen 2.633 N/A ALA 288.A N VAL 296.A O no hydrogen 3.037 N/A VAL 289.A N ARG 332.A O no hydrogen 2.806 N/A THR 290.A N ASP 294.A O no hydrogen 2.596 N/A THR 290.A OG1 ASP 292.A OD1 no hydrogen 2.712 N/A THR 290.A OG1 ASP 294.A O no hydrogen 3.241 N/A GLU 291.A N LYS 329.A O no hydrogen 3.042 N/A LEU 293.A N THR 290.A O no hydrogen 3.038 N/A ASP 294.A N THR 290.A OG1 no hydrogen 2.857 N/A VAL 296.A N ALA 288.A O no hydrogen 2.996 N/A ARG 298.A N VAL 286.A O no hydrogen 3.113 N/A ARG 298.A NH1 SER 297.A O no hydrogen 2.916 N/A ARG 300.A N ILE 284.A O no hydrogen 2.961 N/A PHE 302.A N LYS 282.A O no hydrogen 2.732 N/A SER 307.A OG THR 310.A OG1 no hydrogen 2.629 N/A THR 310.A N SER 307.A OG no hydrogen 2.860 N/A THR 310.A OG1 SER 307.A OG no hydrogen 2.629 N/A ALA 311.A N SER 307.A O no hydrogen 3.042 N/A TYR 312.A N LYS 308.A O no hydrogen 3.057 N/A SER 313.A N GLU 309.A O no hydrogen 3.346 N/A SER 313.A OG THR 310.A O no hydrogen 3.046 N/A GLU 314.A N THR 310.A O no hydrogen 2.747 N/A SER 315.A N ALA 311.A O no hydrogen 3.040 N/A SER 315.A OG ALA 311.A O no hydrogen 3.139 N/A SER 315.A OG TYR 312.A O no hydrogen 2.686 N/A VAL 316.A N SER 313.A O no hydrogen 3.116 N/A LYS 317.A N SER 313.A O no hydrogen 3.336 N/A LEU 318.A N GLU 314.A O no hydrogen 3.217 N/A LEU 319.A N SER 315.A O no hydrogen 3.040 N/A GLN 320.A N VAL 316.A O no hydrogen 2.969 N/A LYS 321.A N LYS 317.A O no hydrogen 3.056 N/A ILE 322.A N LEU 318.A O no hydrogen 2.799 N/A LEU 323.A N LEU 319.A O no hydrogen 2.847 N/A GLU 324.A N GLN 320.A O no hydrogen 3.267 N/A GLU 325.A N LYS 321.A O no hydrogen 3.372 N/A ASP 326.A N ILE 322.A O no hydrogen 3.066 N/A ARG 328.A N ASP 326.A OD1 no hydrogen 3.023 N/A ARG 328.A NE ASP 326.A OD1 no hydrogen 3.166 N/A ARG 328.A NH1 ASP 292.A OD1 no hydrogen 2.926 N/A ARG 328.A NH1 ASP 292.A OD2 no hydrogen 3.376 N/A ARG 328.A NH2 ASP 294.A OD2 no hydrogen 3.107 N/A ARG 328.A NH2 ASP 326.A OD2 no hydrogen 2.874 N/A ILE 330.A N SER 255.A O no hydrogen 2.858 N/A ARG 331.A N VAL 289.A O no hydrogen 2.727 N/A ARG 332.A N VAL 289.A O no hydrogen 3.416 N/A ILE 333.A N VAL 249.A O no hydrogen 2.987 N/A GLY 334.A N VAL 287.A O no hydrogen 2.788 N/A VAL 335.A N ARG 247.A O no hydrogen 3.074 N/A ARG 336.A N HIS 285.A O no hydrogen 3.018 N/A ARG 336.A NH1 SER 244.A OG no hydrogen 3.290 N/A PHE 337.A N ILE 245.A O no hydrogen 2.720 N/A SER 338.A N ALA 283.A O no hydrogen 3.000 N/A LYS 339.A NZ THR 301.A OG1 no hydrogen 3.264 N/A