Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ujg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH GLU 61.A OE1 no hydrogen 2.776 N/A GLU 3.A N ARG 20.A O no hydrogen 2.970 N/A VAL 5.A N LEU 18.A O no hydrogen 2.968 N/A LYS 6.A N LEU 18.A O no hydrogen 3.288 N/A SER 10.A N GLY 14.A O no hydrogen 2.750 N/A GLY 11.A N SER 10.A OG no hydrogen 2.669 N/A ARG 17.A N VAL 28.A O no hydrogen 2.905 N/A MET 19.A N VAL 26.A O no hydrogen 2.949 N/A ARG 20.A N GLU 3.A O no hydrogen 3.182 N/A ASP 21.A N GLU 24.A O no hydrogen 3.013 N/A SER 22.A OG ASP 21.A OD1 no hydrogen 2.679 N/A VAL 26.A N MET 19.A O no hydrogen 2.849 N/A ALA 27.A N MET 73.A O no hydrogen 2.961 N/A VAL 28.A N ARG 17.A O no hydrogen 3.126 N/A LYS 29.A N ILE 71.A O no hydrogen 2.817 N/A LYS 29.A NZ ASP 138.A OD1 no hydrogen 3.394 N/A LYS 29.A NZ ASP 138.A OD2 no hydrogen 3.246 N/A ILE 31.A N LEU 69.A O no hydrogen 3.240 N/A ARG 33.A NE VAL 289.A O no hydrogen 2.674 N/A ARG 33.A NH1 THR 65.A O no hydrogen 2.749 N/A ARG 33.A NH2 GLU 286.A O no hydrogen 3.224 N/A GLU 35.A N ARG 33.A O no hydrogen 2.711 N/A LYS 36.A NZ GLU 32.A OE2 no hydrogen 3.231 N/A LYS 42.A NZ GLU 39.A OE1 no hydrogen 3.121 N/A LYS 42.A NZ GLU 39.A OE2 no hydrogen 3.409 N/A ARG 43.A N GLU 39.A O no hydrogen 3.305 N/A GLU 44.A N ASN 40.A O no hydrogen 3.177 N/A ILE 45.A N VAL 41.A O no hydrogen 3.296 N/A ILE 46.A N LYS 42.A O no hydrogen 3.068 N/A ASN 47.A N ARG 43.A O no hydrogen 2.768 N/A HIS 48.A N GLU 44.A O no hydrogen 3.189 N/A HIS 48.A NE2 VAL 57.A O no hydrogen 2.784 N/A ARG 49.A N ILE 45.A O no hydrogen 2.847 N/A ARG 49.A NH2 GLN 275.A O no hydrogen 2.462 N/A SER 50.A N ASN 47.A O no hydrogen 2.794 N/A SER 50.A OG ASN 47.A O no hydrogen 2.728 N/A LEU 51.A N HIS 48.A O no hydrogen 3.148 N/A ARG 52.A N TYR 109.A OH no hydrogen 2.770 N/A ASN 55.A ND2 HIS 53.A NE2 no hydrogen 3.283 N/A ILE 56.A N HIS 53.A O no hydrogen 2.880 N/A VAL 57.A N ILE 136.A O no hydrogen 3.027 N/A ARG 58.A N GLU 74.A OE1 no hydrogen 3.158 N/A ARG 58.A NE GLU 74.A OE1 no hydrogen 3.485 N/A ARG 58.A NH1 GLU 74.A OE2 no hydrogen 3.057 N/A ARG 58.A NH2 ARG 52.A O no hydrogen 3.092 N/A LYS 60.A N VAL 72.A O no hydrogen 3.054 N/A LYS 60.A NZ GLU 24.A OE1 no hydrogen 3.123 N/A GLU 61.A N VAL 72.A O no hydrogen 3.250 N/A ILE 63.A N ALA 70.A O no hydrogen 2.878 N/A THR 65.A N HIS 68.A O no hydrogen 3.188 N/A THR 65.A OG1 THR 67.A OG1 no hydrogen 3.302 N/A THR 65.A OG1 HIS 68.A O no hydrogen 2.896 N/A THR 67.A OG1 THR 65.A OG1 no hydrogen 3.302 N/A HIS 68.A N THR 65.A OG1 no hydrogen 3.373 N/A LEU 69.A N ILE 31.A O no hydrogen 3.208 N/A ALA 70.A N ILE 63.A O no hydrogen 2.795 N/A ILE 71.A N LYS 29.A O no hydrogen 2.737 N/A VAL 72.A N GLU 61.A O no hydrogen 2.756 N/A MET 73.A N ALA 27.A O no hydrogen 2.679 N/A GLU 74.A N ARG 58.A O no hydrogen 3.029 N/A SER 77.A N ASP 128.A OD1 no hydrogen 3.473 N/A SER 77.A OG ASP 128.A OD1 no hydrogen 3.357 N/A GLY 78.A N LEU 127.A O no hydrogen 3.022 N/A GLY 79.A N ALA 76.A O no hydrogen 3.093 N/A LEU 81.A N THR 125.A O no hydrogen 3.158 N/A PHE 82.A N GLU 80.A OE2 no hydrogen 3.408 N/A ARG 84.A N GLU 80.A O no hydrogen 3.163 N/A ILE 85.A N LEU 81.A O no hydrogen 2.939 N/A CYS 86.A N PHE 82.A O no hydrogen 2.917 N/A CYS 86.A SG PHE 82.A O no hydrogen 3.439 N/A ASN 87.A N GLU 83.A O no hydrogen 3.394 N/A GLY 89.A N ILE 85.A O no hydrogen 2.678 N/A PHE 91.A N MET 188.A O no hydrogen 2.805 N/A SER 92.A N GLU 95.A OE2 no hydrogen 3.342 N/A GLU 95.A N SER 92.A OG no hydrogen 3.090 N/A ALA 96.A N SER 92.A O no hydrogen 2.865 N/A ARG 97.A N GLU 93.A O no hydrogen 3.029 N/A ARG 97.A NE TRP 252.A O no hydrogen 2.715 N/A PHE 98.A N ASP 94.A O no hydrogen 3.092 N/A PHE 99.A N GLU 95.A O no hydrogen 3.209 N/A PHE 100.A N ALA 96.A O no hydrogen 2.954 N/A GLN 101.A N ARG 97.A O no hydrogen 3.058 N/A GLN 101.A NE2 PHE 98.A O no hydrogen 3.558 N/A GLN 102.A N PHE 98.A O no hydrogen 3.376 N/A GLN 102.A NE2 PRO 132.A O no hydrogen 3.252 N/A LEU 103.A N PHE 99.A O no hydrogen 2.884 N/A ILE 104.A N PHE 100.A O no hydrogen 3.014 N/A SER 105.A N GLN 101.A O no hydrogen 2.987 N/A GLY 106.A N GLN 102.A O no hydrogen 2.940 N/A VAL 107.A N LEU 103.A O no hydrogen 2.594 N/A SER 108.A N ILE 104.A O no hydrogen 2.909 N/A TYR 109.A N SER 105.A O no hydrogen 3.044 N/A TYR 109.A OH GLN 270.A OE1 no hydrogen 2.689 N/A CYS 110.A N GLY 106.A O no hydrogen 2.892 N/A CYS 110.A SG GLY 106.A O no hydrogen 3.489 N/A HIS 111.A N VAL 107.A O no hydrogen 2.811 N/A HIS 111.A NE2 LYS 174.A O no hydrogen 3.204 N/A ALA 112.A N SER 108.A O no hydrogen 3.073 N/A MET 113.A N TYR 109.A O no hydrogen 2.851 N/A GLN 114.A N HIS 111.A O no hydrogen 3.182 N/A VAL 115.A N CYS 110.A O no hydrogen 2.864 N/A HIS 117.A N ASP 177.A OD2 no hydrogen 2.781 N/A HIS 117.A NE2 TYR 171.A OH no hydrogen 3.125 N/A ARG 118.A NH1 GLU 123.A OE1 no hydrogen 2.908 N/A ARG 118.A NH2 GLU 123.A OE1 no hydrogen 3.230 N/A ARG 118.A NH2 GLU 123.A OE2 no hydrogen 3.354 N/A ASP 119.A N CYS 116.A O no hydrogen 2.871 N/A LEU 120.A N HIS 117.A O no hydrogen 2.853 N/A LYS 121.A N HIS 117.A O no hydrogen 2.913 N/A ASN 124.A N LYS 121.A O no hydrogen 3.116 N/A ASN 124.A ND2 GLY 11.A O no hydrogen 2.751 N/A THR 125.A OG1 LEU 122.A O no hydrogen 3.558 N/A LEU 126.A N LYS 135.A O no hydrogen 2.880 N/A LEU 127.A N GLY 79.A O no hydrogen 2.781 N/A ASP 128.A N ARG 133.A O no hydrogen 2.963 N/A GLY 129.A N SER 77.A OG no hydrogen 3.069 N/A ARG 133.A N ASP 128.A O no hydrogen 3.338 N/A LEU 134.A N GLN 102.A OE1 no hydrogen 3.122 N/A LYS 135.A N LEU 126.A O no hydrogen 2.776 N/A LYS 135.A NZ PRO 54.A O no hydrogen 2.760 N/A LYS 135.A NZ GLU 74.A OE1 no hydrogen 3.412 N/A ILE 136.A N ASN 55.A O no hydrogen 3.012 N/A PHE 139.A N ASP 138.A OD1 no hydrogen 2.723 N/A TYR 141.A N PHE 139.A O no hydrogen 2.681 N/A SER 142.A OG GLU 44.A OE1 no hydrogen 3.200 N/A LYS 143.A N ASP 119.A OD2 no hydrogen 3.210 N/A SER 145.A OG GLU 44.A OE1 no hydrogen 2.849 N/A VAL 146.A N GLU 44.A OE2 no hydrogen 3.143 N/A LEU 147.A N SER 145.A OG no hydrogen 3.148 N/A SER 149.A OG ASN 12.A O no hydrogen 2.782 N/A GLN 150.A N PHE 13.A O no hydrogen 2.799 N/A TYR 160.A N THR 157.A O no hydrogen 3.161 N/A TYR 160.A OH THR 184.A OG1 no hydrogen 2.872 N/A ILE 161.A N PRO 158.A O no hydrogen 2.817 N/A GLU 164.A N GLU 164.A OE2 no hydrogen 2.823 N/A VAL 165.A N ALA 162.A O no hydrogen 2.729 N/A LEU 166.A N PRO 163.A O no hydrogen 2.983 N/A LYS 168.A N GLU 164.A O no hydrogen 3.088 N/A TYR 171.A OH HIS 117.A NE2 no hydrogen 3.125 N/A LYS 174.A N ASP 172.A OD2 no hydrogen 3.139 N/A ALA 176.A N ASP 172.A O no hydrogen 3.291 N/A ASP 177.A N GLY 173.A O no hydrogen 3.054 N/A VAL 178.A N VAL 175.A O no hydrogen 3.121 N/A TRP 179.A NE1 ALA 159.A O no hydrogen 2.912 N/A SER 180.A N ALA 176.A O no hydrogen 3.424 N/A SER 180.A OG TYR 160.A O no hydrogen 3.422 N/A CYS 181.A N ASP 177.A O no hydrogen 3.072 N/A CYS 181.A SG ASP 177.A O no hydrogen 3.235 N/A GLY 182.A N VAL 178.A O no hydrogen 3.018 N/A VAL 183.A N TRP 179.A O no hydrogen 2.906 N/A THR 184.A N SER 180.A O no hydrogen 2.874 N/A THR 184.A OG1 TYR 160.A OH no hydrogen 2.872 N/A THR 184.A OG1 SER 180.A O no hydrogen 3.505 N/A LEU 185.A N CYS 181.A O no hydrogen 2.876 N/A TYR 186.A N GLY 182.A O no hydrogen 2.912 N/A TYR 186.A OH ALA 215.A O no hydrogen 2.847 N/A VAL 187.A N VAL 183.A O no hydrogen 3.028 N/A MET 188.A N THR 184.A O no hydrogen 3.259 N/A LEU 189.A N LEU 185.A O no hydrogen 3.095 N/A VAL 190.A N TYR 186.A O no hydrogen 2.866 N/A GLY 191.A N VAL 187.A O no hydrogen 2.775 N/A LYS 200.A NZ VAL 155.A O no hydrogen 3.434 N/A LYS 200.A NZ GLY 156.A O no hydrogen 2.472 N/A LYS 204.A NZ ASP 197.A OD1 no hydrogen 3.403 N/A LYS 204.A NZ ASP 197.A OD2 no hydrogen 3.264 N/A LYS 204.A NZ GLU 198.A OE1 no hydrogen 3.472 N/A THR 205.A N ASN 201.A O no hydrogen 3.069 N/A THR 205.A OG1 ASN 201.A O no hydrogen 3.166 N/A ILE 206.A N PHE 202.A O no hydrogen 2.746 N/A HIS 207.A N ARG 203.A O no hydrogen 2.965 N/A ARG 208.A N LYS 204.A O no hydrogen 3.023 N/A ARG 208.A NH1 PHE 195.A O no hydrogen 2.587 N/A ILE 209.A N THR 205.A O no hydrogen 2.921 N/A LEU 210.A N ILE 206.A O no hydrogen 2.977 N/A ASN 211.A N HIS 207.A O no hydrogen 3.181 N/A ASN 211.A ND2 HIS 207.A O no hydrogen 2.871 N/A VAL 212.A N ILE 209.A O no hydrogen 2.740 N/A GLN 213.A N ARG 208.A O no hydrogen 2.749 N/A VAL 220.A N PRO 217.A O no hydrogen 3.327 N/A SER 223.A N GLU 93.A OE1 no hydrogen 2.794 N/A SER 223.A OG GLU 93.A OE2 no hydrogen 2.625 N/A SER 223.A OG GLU 225.A OE2 no hydrogen 3.379 N/A GLU 225.A N GLU 225.A OE2 no hydrogen 2.761 N/A CYS 226.A N SER 223.A OG no hydrogen 3.208 N/A ARG 227.A N SER 223.A O no hydrogen 3.161 N/A ARG 227.A NH2 ILE 222.A O no hydrogen 3.483 N/A HIS 228.A N PRO 224.A O no hydrogen 2.980 N/A LEU 229.A N GLU 225.A O no hydrogen 3.054 N/A ILE 230.A N CYS 226.A O no hydrogen 3.086 N/A SER 231.A N ARG 227.A O no hydrogen 2.954 N/A SER 231.A OG HIS 228.A O no hydrogen 2.620 N/A ARG 232.A N HIS 228.A O no hydrogen 2.827 N/A ARG 232.A NH2 LYS 240.A O no hydrogen 2.391 N/A ILE 233.A N LEU 229.A O no hydrogen 3.090 N/A ILE 233.A N ILE 230.A O no hydrogen 3.102 N/A PHE 234.A N ILE 230.A O no hydrogen 2.942 N/A VAL 235.A N ILE 233.A O no hydrogen 3.018 N/A ALA 239.A N ASP 237.A OD2 no hydrogen 2.942 N/A LYS 240.A N ASP 237.A O no hydrogen 3.115 N/A LYS 240.A NZ ASP 237.A OD1 no hydrogen 2.748 N/A ARG 241.A N PRO 238.A O no hydrogen 3.204 N/A ARG 241.A NE VAL 235.A O no hydrogen 2.999 N/A ARG 241.A NH1 GLU 164.A OE2 no hydrogen 2.650 N/A ARG 241.A NH1 VAL 235.A O no hydrogen 2.935 N/A ARG 241.A NH2 GLU 164.A OE1 no hydrogen 2.801 N/A ARG 241.A NH2 GLU 164.A OE2 no hydrogen 3.459 N/A ARG 241.A NH2 VAL 175.A O no hydrogen 3.108 N/A ILE 242.A N ARG 232.A O no hydrogen 3.159 N/A SER 243.A N GLU 246.A OE1 no hydrogen 3.160 N/A GLU 246.A N SER 243.A OG no hydrogen 3.350 N/A ILE 247.A N SER 243.A O no hydrogen 2.726 N/A ARG 248.A N ILE 244.A O no hydrogen 2.896 N/A ASN 249.A N PRO 245.A O no hydrogen 3.140 N/A ASN 249.A N GLU 246.A O no hydrogen 3.178 N/A HIS 250.A N ILE 247.A O no hydrogen 3.090 N/A HIS 250.A NE2 GLU 225.A O no hydrogen 3.233 N/A TRP 252.A NE1 GLU 93.A OE2 no hydrogen 2.867 N/A LEU 254.A N HIS 250.A O no hydrogen 3.008 N/A LYS 255.A N GLU 251.A O no hydrogen 3.149 N/A LEU 257.A N LEU 254.A O no hydrogen 3.240 N/A MET 262.A N ALA 259.A O no hydrogen 3.056 N/A ASN 263.A ND2 ASN 265.A O no hydrogen 3.099 N/A ASN 263.A ND2 ASN 265.A OD1 no hydrogen 3.540 N/A ASN 265.A N ASP 264.A OD2 no hydrogen 2.722 N/A THR 269.A OG1 ASN 263.A OD1 no hydrogen 2.821 N/A THR 269.A OG1 THR 266.A O no hydrogen 3.517 N/A ALA 272.A N THR 268.A O no hydrogen 2.951 N/A SER 274.A N PHE 271.A O no hydrogen 3.300 N/A SER 274.A OG GLN 270.A O no hydrogen 2.691 N/A ILE 280.A N SER 276.A O no hydrogen 3.115 N/A MET 281.A N ILE 277.A O no hydrogen 2.908 N/A GLN 282.A N GLU 278.A O no hydrogen 2.931 N/A ILE 283.A N GLU 279.A O no hydrogen 3.113 N/A ILE 284.A N ILE 280.A O no hydrogen 3.038 N/A ALA 285.A N MET 281.A O no hydrogen 3.171 N/A GLU 286.A N GLN 282.A O no hydrogen 3.246 N/A THR 288.A N ALA 285.A O no hydrogen 3.236 N/A THR 288.A OG1 ALA 285.A O no hydrogen 2.881 N/A