Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ubv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N SER 1.A OG no hydrogen 3.397 N/A VAL 5.A N SER 1.A O no hydrogen 2.694 N/A GLU 6.A N PRO 2.A O no hydrogen 2.568 N/A ARG 7.A N VAL 3.A O no hydrogen 3.339 N/A GLU 8.A N VAL 4.A O no hydrogen 2.869 N/A ARG 9.A N VAL 5.A O no hydrogen 2.824 N/A GLU 10.A N GLU 6.A O no hydrogen 2.597 N/A GLU 11.A N ARG 7.A O no hydrogen 2.994 N/A GLU 11.A N GLU 8.A O no hydrogen 2.813 N/A PHE 12.A N GLU 8.A O no hydrogen 3.059 N/A VAL 13.A N ARG 9.A O no hydrogen 3.311 N/A GLY 14.A N GLU 10.A O no hydrogen 3.185 N/A PHE 15.A N PHE 12.A O no hydrogen 2.740 N/A PHE 16.A N VAL 13.A O no hydrogen 3.221 N/A GLN 18.A N PHE 15.A O no hydrogen 2.916 N/A ILE 19.A N PHE 15.A O no hydrogen 3.303 N/A VAL 20.A N PHE 16.A O no hydrogen 2.678 N/A ARG 21.A N PRO 17.A O no hydrogen 2.501 N/A ASP 22.A N GLN 18.A O no hydrogen 2.852 N/A LEU 23.A N ILE 19.A O no hydrogen 2.961 N/A THR 24.A N VAL 20.A O no hydrogen 3.264 N/A THR 24.A N ARG 21.A O no hydrogen 3.255 N/A THR 24.A OG1 VAL 20.A O no hydrogen 2.458 N/A GLU 25.A N ARG 21.A O no hydrogen 2.760 N/A ILE 28.A N THR 24.A O no hydrogen 2.697 N/A HIS 30.A N GLY 27.A O no hydrogen 3.198 N/A GLY 34.A N HIS 30.A O no hydrogen 2.892 N/A VAL 37.A N VAL 33.A O no hydrogen 3.183 N/A ALA 38.A N GLY 34.A O no hydrogen 3.000 N/A ARG 39.A N ASP 35.A O no hydrogen 3.231 N/A ARG 39.A N ALA 36.A O no hydrogen 2.918 N/A ARG 39.A NH1 ASP 126.A OD2 no hydrogen 2.719 N/A ARG 39.A NH2 ASP 126.A OD2 no hydrogen 3.056 N/A LEU 40.A N ALA 36.A O no hydrogen 2.985 N/A LYS 41.A N VAL 37.A O no hydrogen 3.056 N/A VAL 43.A N ARG 39.A O no hydrogen 2.993 N/A LEU 44.A N LEU 40.A O no hydrogen 2.848 N/A GLN 45.A N LYS 41.A O no hydrogen 2.702 N/A GLN 45.A NE2 LYS 41.A O no hydrogen 3.581 N/A TYR 46.A N GLU 42.A O no hydrogen 2.632 N/A TYR 46.A OH LEU 111.A O no hydrogen 2.748 N/A ASN 47.A N VAL 43.A O no hydrogen 2.945 N/A ASN 47.A ND2 GLN 110.A OE1 no hydrogen 3.484 N/A ALA 48.A N LEU 44.A O no hydrogen 2.967 N/A ARG 55.A NH2 SER 200.A OG no hydrogen 3.383 N/A GLY 56.A N GLU 88.A OE2 no hydrogen 3.220 N/A LEU 57.A N CYS 53.A O no hydrogen 2.680 N/A THR 58.A N ASN 54.A O no hydrogen 2.865 N/A THR 58.A OG1 ASN 54.A O no hydrogen 2.816 N/A VAL 59.A N GLY 56.A O no hydrogen 2.988 N/A ALA 61.A N LEU 57.A O no hydrogen 3.023 N/A ALA 62.A N THR 58.A O no hydrogen 2.955 N/A TYR 63.A N VAL 59.A O no hydrogen 2.798 N/A TYR 63.A OH GLN 71.A O no hydrogen 2.897 N/A ARG 64.A N VAL 60.A O no hydrogen 3.093 N/A GLU 65.A N ALA 62.A O no hydrogen 2.570 N/A LEU 66.A N ALA 62.A O no hydrogen 2.920 N/A LEU 66.A N TYR 63.A O no hydrogen 2.724 N/A SER 67.A N TYR 63.A O no hydrogen 2.645 N/A SER 67.A OG TYR 63.A O no hydrogen 2.527 N/A GLY 68.A N GLN 71.A OE1 no hydrogen 2.895 N/A GLN 71.A N GLN 71.A OE1 no hydrogen 2.638 N/A ASP 73.A N ASP 73.A OD1 no hydrogen 2.527 N/A SER 76.A N ASP 73.A OD2 no hydrogen 3.016 N/A SER 76.A OG ASP 73.A OD1 no hydrogen 2.403 N/A SER 76.A OG ASP 73.A OD2 no hydrogen 3.176 N/A LEU 77.A N ASP 73.A O no hydrogen 3.066 N/A ARG 78.A N ALA 74.A O no hydrogen 2.931 N/A ARG 78.A NH1 GLU 75.A OE1 no hydrogen 2.442 N/A ARG 78.A NH2 GLU 75.A OE2 no hydrogen 3.507 N/A CYS 79.A N GLU 75.A O no hydrogen 3.133 N/A CYS 79.A N SER 76.A O no hydrogen 3.082 N/A CYS 79.A SG GLU 75.A O no hydrogen 3.712 N/A CYS 79.A SG TYR 141.A O no hydrogen 3.579 N/A ALA 80.A N SER 76.A O no hydrogen 3.072 N/A LEU 81.A N LEU 77.A O no hydrogen 3.206 N/A ALA 82.A N ARG 78.A O no hydrogen 2.688 N/A VAL 83.A N CYS 79.A O no hydrogen 2.639 N/A GLY 84.A N LEU 81.A O no hydrogen 2.795 N/A TRP 85.A N LEU 81.A O no hydrogen 2.953 N/A TRP 85.A NE1 PHE 12.A O no hydrogen 3.128 N/A CYS 86.A N ALA 82.A O no hydrogen 3.147 N/A CYS 86.A SG ALA 82.A O no hydrogen 3.760 N/A CYS 86.A SG VAL 134.A O no hydrogen 3.722 N/A GLU 88.A N GLY 84.A O no hydrogen 3.228 N/A LEU 89.A N TRP 85.A O no hydrogen 2.645 N/A PHE 90.A N CYS 86.A O no hydrogen 2.799 N/A GLN 91.A N ILE 87.A O no hydrogen 2.947 N/A ALA 92.A N GLU 88.A O no hydrogen 3.343 N/A ALA 93.A N LEU 89.A O no hydrogen 2.999 N/A SER 94.A N PHE 90.A O no hydrogen 3.144 N/A LEU 95.A N GLN 91.A O no hydrogen 3.091 N/A VAL 96.A N ALA 92.A O no hydrogen 3.114 N/A ALA 97.A N ALA 93.A O no hydrogen 3.440 N/A ASP 98.A N SER 94.A O no hydrogen 2.767 N/A ASP 99.A N LEU 95.A O no hydrogen 2.631 N/A ASP 99.A N VAL 96.A O no hydrogen 2.757 N/A ILE 100.A N VAL 96.A O no hydrogen 3.410 N/A ILE 100.A N ALA 97.A O no hydrogen 2.950 N/A MET 101.A N ALA 97.A O no hydrogen 3.276 N/A ASP 102.A N ASP 99.A O no hydrogen 3.253 N/A GLN 103.A NE2 ILE 100.A O no hydrogen 2.292 N/A SER 104.A N ASP 99.A O no hydrogen 3.030 N/A ARG 107.A N GLN 110.A O no hydrogen 2.777 N/A ARG 107.A NH1 ASP 99.A OD2 no hydrogen 3.437 N/A GLN 110.A N ARG 107.A O no hydrogen 2.785 N/A CYS 112.A N LEU 105.A O no hydrogen 3.121 N/A TRP 113.A NE1 ASP 126.A OD2 no hydrogen 2.486 N/A TYR 114.A OH SER 104.A O no hydrogen 2.519 N/A LYS 115.A N CYS 112.A O no hydrogen 2.913 N/A LYS 115.A NZ TYR 114.A OH no hydrogen 3.568 N/A LYS 116.A N CYS 112.A O no hydrogen 3.295 N/A LYS 116.A N TRP 113.A O no hydrogen 3.043 N/A VAL 119.A N LYS 116.A O no hydrogen 3.119 N/A GLY 120.A N TYR 114.A O no hydrogen 3.026 N/A ILE 124.A N LEU 121.A O no hydrogen 2.861 N/A ASN 125.A N ASP 122.A O no hydrogen 2.818 N/A ASP 126.A N ASP 122.A O no hydrogen 3.318 N/A ASP 126.A N ALA 123.A O no hydrogen 2.986 N/A SER 127.A N ALA 123.A O no hydrogen 2.975 N/A SER 127.A OG ILE 124.A O no hydrogen 3.150 N/A LEU 129.A N ASN 125.A O no hydrogen 3.232 N/A LEU 130.A N ASP 126.A O no hydrogen 2.950 N/A GLU 131.A N SER 127.A O no hydrogen 3.160 N/A SER 132.A N PHE 128.A O no hydrogen 3.088 N/A SER 132.A OG LEU 129.A O no hydrogen 3.254 N/A SER 133.A N LEU 130.A O no hydrogen 3.089 N/A SER 133.A OG LEU 129.A O no hydrogen 3.083 N/A VAL 134.A N GLU 131.A O no hydrogen 3.151 N/A TYR 135.A N SER 132.A O no hydrogen 3.223 N/A ARG 136.A N SER 132.A O no hydrogen 3.037 N/A ARG 136.A N SER 133.A O no hydrogen 3.020 N/A VAL 137.A N SER 133.A O no hydrogen 3.100 N/A LYS 139.A N TYR 135.A O no hydrogen 3.170 N/A LYS 140.A N ARG 136.A O no hydrogen 3.017 N/A LYS 140.A NZ ASP 22.A OD1 no hydrogen 3.473 N/A TYR 141.A N VAL 137.A O no hydrogen 2.866 N/A TYR 141.A OH ASP 22.A OD2 no hydrogen 2.708 N/A CYS 142.A N LEU 138.A O no hydrogen 2.752 N/A ARG 145.A NH1 GLN 144.A O no hydrogen 3.324 N/A TYR 148.A N ARG 145.A O no hydrogen 3.184 N/A LEU 151.A N TYR 147.A O no hydrogen 3.208 N/A LEU 152.A N TYR 148.A O no hydrogen 3.035 N/A GLU 153.A N VAL 149.A O no hydrogen 2.868 N/A LEU 154.A N HIS 150.A O no hydrogen 2.583 N/A PHE 155.A N LEU 151.A O no hydrogen 2.935 N/A LEU 156.A N LEU 152.A O no hydrogen 3.152 N/A GLN 157.A N GLU 153.A O no hydrogen 3.027 N/A THR 158.A N LEU 154.A O no hydrogen 3.080 N/A THR 158.A OG1 PHE 155.A O no hydrogen 3.173 N/A ALA 159.A N PHE 155.A O no hydrogen 3.028 N/A TYR 160.A N LEU 156.A O no hydrogen 3.044 N/A GLN 161.A N GLN 157.A O no hydrogen 2.933 N/A GLN 161.A NE2 GLN 157.A O no hydrogen 3.484 N/A THR 162.A N THR 158.A O no hydrogen 2.858 N/A GLU 163.A N ALA 159.A O no hydrogen 3.149 N/A LEU 164.A N TYR 160.A O no hydrogen 3.259 N/A LEU 164.A N GLN 161.A O no hydrogen 3.100 N/A GLY 165.A N GLN 161.A O no hydrogen 3.215 N/A GLN 166.A N THR 162.A O no hydrogen 2.715 N/A GLN 166.A NE2 GLN 166.A O no hydrogen 3.214 N/A MET 167.A N GLU 163.A O no hydrogen 2.772 N/A LEU 168.A N LEU 164.A O no hydrogen 2.706 N/A ASP 169.A N GLY 165.A O no hydrogen 3.041 N/A LEU 170.A N GLN 166.A O no hydrogen 2.876 N/A ILE 171.A N MET 167.A O no hydrogen 3.249 N/A ILE 171.A N LEU 168.A O no hydrogen 3.133 N/A THR 172.A N LEU 168.A O no hydrogen 2.988 N/A THR 172.A OG1 LEU 168.A O no hydrogen 3.138 N/A ALA 173.A N ASP 169.A O no hydrogen 2.977 N/A SER 176.A N PRO 174.A O no hydrogen 2.773 N/A LYS 177.A NZ ASP 179.A OD2 no hydrogen 2.293 N/A PHE 183.A N LEU 180.A O no hydrogen 3.300 N/A SER 184.A N HIS 182.A O no hydrogen 3.137 N/A ARG 187.A N SER 184.A OG no hydrogen 3.185 N/A ARG 187.A NH1 THR 172.A OG1 no hydrogen 2.754 N/A TYR 188.A N SER 184.A O no hydrogen 2.792 N/A TYR 188.A OH ASP 239.A OD2 no hydrogen 2.405 N/A LYS 189.A N GLU 185.A O no hydrogen 2.703 N/A LYS 189.A NZ GLU 232.A OE2 no hydrogen 3.258 N/A ALA 190.A N GLU 186.A O no hydrogen 2.730 N/A ILE 191.A N ARG 187.A O no hydrogen 2.535 N/A VAL 192.A N TYR 188.A O no hydrogen 2.736 N/A LYS 193.A N LYS 189.A O no hydrogen 2.901 N/A TYR 194.A N ALA 190.A O no hydrogen 3.368 N/A LYS 195.A N ILE 191.A O no hydrogen 3.023 N/A THR 196.A OG1 VAL 192.A O no hydrogen 3.217 N/A ALA 197.A N VAL 192.A O no hydrogen 3.417 N/A TYR 199.A OH GLN 91.A OE1 no hydrogen 2.584 N/A SER 200.A N THR 196.A O no hydrogen 2.686 N/A SER 200.A N ALA 197.A O no hydrogen 3.245 N/A SER 200.A OG THR 196.A O no hydrogen 2.263 N/A PHE 201.A N ALA 197.A O no hydrogen 2.907 N/A LEU 203.A N PHE 198.A O no hydrogen 2.955 N/A VAL 205.A N PHE 201.A O no hydrogen 3.515 N/A ALA 206.A N TYR 202.A O no hydrogen 2.784 N/A ALA 207.A N LEU 203.A O no hydrogen 2.924 N/A ALA 208.A N VAL 205.A O no hydrogen 2.965 N/A MET 209.A N VAL 205.A O no hydrogen 2.990 N/A TYR 210.A N ALA 206.A O no hydrogen 3.222 N/A MET 211.A N ALA 207.A O no hydrogen 3.074 N/A VAL 212.A N ALA 208.A O no hydrogen 3.068 N/A VAL 212.A N MET 209.A O no hydrogen 2.808 N/A GLY 213.A N TYR 210.A O no hydrogen 3.152 N/A ILE 214.A N MET 209.A O no hydrogen 2.963 N/A LYS 217.A NZ GLU 221.A OE2 no hydrogen 2.854 N/A GLU 219.A N SER 216.A O no hydrogen 2.915 N/A HIS 220.A N SER 216.A O no hydrogen 3.029 N/A HIS 220.A ND1 SER 216.A O no hydrogen 3.170 N/A GLU 221.A N LYS 217.A O no hydrogen 3.031 N/A ASN 222.A N GLU 218.A O no hydrogen 3.203 N/A ASN 222.A ND2 GLU 219.A OE2 no hydrogen 2.999 N/A ALA 223.A N GLU 219.A O no hydrogen 3.035 N/A LYS 224.A N HIS 220.A O no hydrogen 2.883 N/A ALA 225.A N GLU 221.A O no hydrogen 2.930 N/A ILE 226.A N ASN 222.A O no hydrogen 3.419 N/A LEU 227.A N ALA 223.A O no hydrogen 3.056 N/A LEU 228.A N LYS 224.A O no hydrogen 2.922 N/A GLU 229.A N ILE 226.A O no hydrogen 2.760 N/A MET 230.A N ILE 226.A O no hydrogen 3.169 N/A GLY 231.A N LEU 227.A O no hydrogen 2.908 N/A GLU 232.A N LEU 228.A O no hydrogen 3.070 N/A TYR 233.A N GLU 229.A O no hydrogen 3.079 N/A TYR 233.A OH GLN 237.A OE1 no hydrogen 2.294 N/A TYR 233.A OH TYR 344.A O no hydrogen 3.334 N/A PHE 234.A N MET 230.A O no hydrogen 2.760 N/A GLN 235.A N GLY 231.A O no hydrogen 3.098 N/A GLN 235.A NE2 ASP 239.A OD2 no hydrogen 3.244 N/A ILE 236.A N GLU 232.A O no hydrogen 2.964 N/A GLN 237.A N TYR 233.A O no hydrogen 2.995 N/A GLN 237.A NE2 ILE 343.A O no hydrogen 2.687 N/A ASP 238.A N PHE 234.A O no hydrogen 3.042 N/A ASP 239.A N GLN 235.A O no hydrogen 2.930 N/A TYR 240.A N ILE 236.A O no hydrogen 2.928 N/A LEU 241.A N GLN 237.A O no hydrogen 2.786 N/A ASP 242.A N ASP 238.A O no hydrogen 2.683 N/A ASP 242.A N ASP 239.A O no hydrogen 3.039 N/A CYS 243.A N TYR 240.A O no hydrogen 3.176 N/A PHE 244.A N TYR 240.A O no hydrogen 2.982 N/A LEU 249.A N ASP 246.A O no hydrogen 2.850 N/A THR 255.A OG1 ASP 242.A O no hydrogen 3.254 N/A THR 255.A OG1 ASP 242.A OD2 no hydrogen 3.081 N/A THR 255.A OG1 GLY 254.A O no hydrogen 2.902 N/A ASP 259.A N ASP 256.A OD1 no hydrogen 2.571 N/A ASN 260.A ND2 VAL 178.A O no hydrogen 2.523 N/A LYS 261.A N ASP 259.A O no hydrogen 2.440 N/A LYS 261.A NZ ASP 242.A OD1 no hydrogen 3.369 N/A LYS 261.A NZ ASP 242.A OD2 no hydrogen 3.316 N/A VAL 266.A N SER 263.A OG no hydrogen 3.296 N/A VAL 267.A N SER 263.A O no hydrogen 2.978 N/A GLN 268.A N TRP 264.A O no hydrogen 2.780 N/A CYS 269.A N LEU 265.A O no hydrogen 2.725 N/A LEU 270.A N VAL 266.A O no hydrogen 3.139 N/A GLN 271.A NE2 GLN 268.A OE1 no hydrogen 2.466 N/A ARG 272.A N GLN 268.A O no hydrogen 3.476 N/A ARG 272.A NH1 GLN 268.A O no hydrogen 2.396 N/A THR 274.A OG1 GLN 277.A OE1 no hydrogen 2.687 N/A GLN 277.A N THR 274.A OG1 no hydrogen 2.672 N/A ARG 278.A N THR 274.A O no hydrogen 2.763 N/A GLN 279.A N PRO 275.A O no hydrogen 3.205 N/A GLN 279.A N GLU 276.A O no hydrogen 2.466 N/A LEU 280.A N GLU 276.A O no hydrogen 3.037 N/A LEU 281.A N GLN 277.A O no hydrogen 2.981 N/A GLU 282.A N ARG 278.A O no hydrogen 2.662 N/A ASP 283.A N GLN 279.A O no hydrogen 3.484 N/A ASN 284.A N ASN 284.A OD1 no hydrogen 2.554 N/A TYR 285.A N LEU 281.A O no hydrogen 3.231 N/A TYR 285.A OH LYS 261.A O no hydrogen 2.837 N/A ARG 287.A NE GLY 286.A O no hydrogen 3.203 N/A ARG 287.A NH2 GLY 286.A O no hydrogen 3.229 N/A LYS 292.A NZ GLU 289.A OE1 no hydrogen 3.406 N/A VAL 293.A N GLU 289.A O no hydrogen 3.112 N/A ALA 294.A N PRO 290.A O no hydrogen 3.200 N/A LYS 295.A N GLU 291.A O no hydrogen 3.072 N/A VAL 296.A N LYS 292.A O no hydrogen 2.896 N/A LYS 297.A N VAL 293.A O no hydrogen 3.048 N/A GLU 298.A N ALA 294.A O no hydrogen 2.961 N/A LEU 299.A N LYS 295.A O no hydrogen 2.896 N/A TYR 300.A N VAL 296.A O no hydrogen 3.004 N/A GLU 301.A N LYS 297.A O no hydrogen 2.868 N/A ALA 302.A N GLU 298.A O no hydrogen 2.198 N/A VAL 303.A N LEU 299.A O no hydrogen 2.619 N/A GLY 304.A N GLU 301.A O no hydrogen 2.793 N/A MET 305.A N TYR 300.A O no hydrogen 2.949 N/A PHE 309.A N MET 305.A O no hydrogen 2.951 N/A GLN 310.A NE2 GLU 313.A OE1 no hydrogen 3.492 N/A GLN 311.A N ALA 307.A O no hydrogen 2.858 N/A TYR 312.A N ALA 308.A O no hydrogen 2.894 N/A GLU 313.A N PHE 309.A O no hydrogen 2.709 N/A GLU 314.A N GLN 310.A O no hydrogen 3.100 N/A SER 315.A N TYR 312.A O no hydrogen 2.790 N/A SER 316.A N TYR 312.A O no hydrogen 2.996 N/A SER 316.A OG TYR 312.A O no hydrogen 2.987 N/A SER 316.A OG GLU 313.A O no hydrogen 3.049 N/A TYR 317.A N GLU 313.A O no hydrogen 3.307 N/A ARG 319.A N SER 315.A O no hydrogen 2.924 N/A LEU 320.A N SER 316.A O no hydrogen 2.931 N/A GLN 321.A N TYR 317.A O no hydrogen 2.920 N/A GLU 322.A N ARG 318.A O no hydrogen 2.971 N/A LEU 323.A N ARG 319.A O no hydrogen 2.851 N/A ILE 324.A N LEU 320.A O no hydrogen 2.661 N/A GLU 325.A N GLN 321.A O no hydrogen 3.485 N/A LYS 326.A N GLU 322.A O no hydrogen 2.778 N/A HIS 327.A N LEU 323.A O no hydrogen 2.876 N/A HIS 327.A N ILE 324.A O no hydrogen 2.761 N/A SER 328.A N ILE 324.A O no hydrogen 2.444 N/A SER 328.A OG LEU 331.A O no hydrogen 2.887 N/A LYS 333.A NZ SER 328.A O no hydrogen 3.320 N/A ILE 335.A N PRO 332.A O no hydrogen 3.067 N/A LEU 337.A N LYS 333.A O no hydrogen 3.132 N/A GLY 338.A N GLU 334.A O no hydrogen 2.915 N/A LEU 339.A N ILE 335.A O no hydrogen 2.968 N/A ALA 340.A N PHE 336.A O no hydrogen 2.710 N/A GLN 341.A N LEU 337.A O no hydrogen 2.429 N/A LYS 342.A N LEU 339.A O no hydrogen 3.319 N/A ILE 343.A N ALA 340.A O no hydrogen 2.843 N/A TYR 344.A N ALA 340.A O no hydrogen 3.121 N/A LYS 348.A NZ GLN 347.A OE1 no hydrogen 3.450 N/A