Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wue_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N SER 5.A OG no hydrogen 3.089 N/A SER 5.A N THR 2.A OG1 no hydrogen 2.884 N/A SER 5.A OG THR 2.A O no hydrogen 3.446 N/A SER 5.A OG THR 2.A OG1 no hydrogen 3.409 N/A THR 6.A N THR 2.A O no hydrogen 3.119 N/A THR 6.A OG1 THR 2.A O no hydrogen 2.859 N/A THR 6.A OG1 PHE 3.A O no hydrogen 3.390 N/A THR 6.A OG1 HIS 23.A ND1 no hydrogen 2.756 N/A SER 7.A OG HIS 21.A NE2 no hydrogen 2.616 N/A ARG 8.A N TYR 22.A O no hydrogen 2.677 N/A ARG 8.A NE GLU 24.A OE1 no hydrogen 3.250 N/A ARG 8.A NH1 SER 5.A O no hydrogen 3.044 N/A ARG 8.A NH1 SER 7.A O no hydrogen 2.799 N/A ALA 10.A N LEU 20.A O no hydrogen 2.788 N/A VAL 12.A N LEU 18.A O no hydrogen 2.915 N/A VAL 14.A N GLY 16.A O no hydrogen 2.922 N/A GLY 16.A N ASP 13.A OD1 no hydrogen 2.783 N/A LEU 18.A N VAL 12.A O no hydrogen 2.747 N/A LYS 19.A N ASP 74.A OD2 no hydrogen 2.862 N/A LYS 19.A NZ HIS 72.A O no hydrogen 3.479 N/A LEU 20.A N ALA 10.A O no hydrogen 2.711 N/A HIS 21.A N SER 73.A OG no hydrogen 2.999 N/A HIS 21.A ND1 ASP 66.A OD2 no hydrogen 2.784 N/A HIS 21.A NE2 SER 7.A OG no hydrogen 2.616 N/A TYR 22.A N ARG 8.A O no hydrogen 2.751 N/A HIS 23.A N ALA 64.A O no hydrogen 2.670 N/A HIS 23.A ND1 THR 6.A OG1 no hydrogen 2.756 N/A GLU 24.A N THR 6.A O no hydrogen 2.924 N/A ALA 25.A N VAL 62.A O no hydrogen 2.807 N/A ASN 29.A N GLY 26.A O no hydrogen 3.049 N/A ASN 29.A ND2 ALA 57.A O no hydrogen 2.795 N/A ASN 29.A ND2 PHE 60.A O no hydrogen 2.989 N/A GLN 31.A NE2 THR 32.A O no hydrogen 3.086 N/A THR 32.A OG1 HIS 61.A ND1 no hydrogen 2.886 N/A VAL 33.A N.A HIS 61.A O no hydrogen 2.823 N/A VAL 33.A N.B HIS 61.A O no hydrogen 2.824 N/A VAL 34.A N PRO 103.A O no hydrogen 3.277 N/A LEU 35.A N LEU 63.A O no hydrogen 3.021 N/A LEU 36.A N VAL 105.A O no hydrogen 2.758 N/A HIS 37.A ND1 GLY 38.A O no hydrogen 2.585 N/A GLY 38.A N ASN 48.A OD1 no hydrogen 2.950 N/A ALA 43.A N GLY 40.A O no hydrogen 2.901 N/A SER 45.A N ASP 66.A OD1 no hydrogen 2.949 N/A SER 45.A OG ASP 66.A OD1 no hydrogen 2.666 N/A THR 47.A OG1 ALA 44.A O no hydrogen 3.491 N/A ASN 48.A N ALA 44.A O no hydrogen 2.962 N/A PHE 49.A N SER 45.A O no hydrogen 2.874 N/A SER 50.A OG THR 47.A O no hydrogen 3.226 N/A ASN 52.A N PHE 49.A O no hydrogen 3.158 N/A ASN 52.A ND2 GLN 266.A O no hydrogen 3.184 N/A ASN 52.A ND2 ASN 274.A OD1 no hydrogen 2.969 N/A ILE 53.A N PHE 49.A O no hydrogen 3.035 N/A LEU 56.A N ASN 52.A O no hydrogen 2.841 N/A ALA 57.A N ILE 53.A O no hydrogen 2.813 N/A ARG 58.A N VAL 55.A O no hydrogen 3.046 N/A HIS 59.A N LEU 56.A O no hydrogen 2.936 N/A PHE 60.A N LEU 56.A O no hydrogen 2.793 N/A HIS 61.A N GLN 31.A O no hydrogen 3.058 N/A HIS 61.A ND1 THR 32.A OG1 no hydrogen 2.886 N/A HIS 61.A NE2 GLU 24.A OE2 no hydrogen 2.525 N/A VAL 62.A N ALA 25.A O no hydrogen 2.623 N/A LEU 63.A N VAL 33.A O.A no hydrogen 2.937 N/A LEU 63.A N VAL 33.A O.B no hydrogen 2.943 N/A ALA 64.A N HIS 23.A O no hydrogen 2.748 N/A VAL 65.A N LEU 35.A O no hydrogen 3.263 N/A ASP 66.A N HIS 21.A O no hydrogen 2.888 N/A GLN 67.A N HIS 37.A NE2 no hydrogen 3.001 N/A GLY 69.A N ASP 74.A O no hydrogen 2.785 N/A TYR 70.A N GLN 67.A O no hydrogen 2.879 N/A TYR 70.A OH GLY 39.A O no hydrogen 3.018 N/A HIS 72.A N ASP 66.A OD2 no hydrogen 3.043 N/A SER 73.A N TYR 70.A O no hydrogen 3.089 N/A SER 73.A OG ASP 66.A O no hydrogen 2.570 N/A ASP 74.A N LYS 19.A O no hydrogen 2.968 N/A LYS 75.A NZ SER 195.A OG no hydrogen 2.839 N/A ARG 76.A NH1 VAL 14.A O no hydrogen 2.815 N/A ARG 76.A NH2 VAL 14.A O no hydrogen 3.050 N/A ARG 76.A NH2 GLY 16.A O no hydrogen 3.177 N/A ARG 76.A NH2 PRO 17.A O no hydrogen 2.938 N/A HIS 79.A ND1 GLY 80.A O no hydrogen 2.737 N/A GLN 81.A N ASP 210.A OD2 no hydrogen 2.776 N/A GLN 81.A NE2 ASN 83.A OD1 no hydrogen 3.176 N/A ASN 83.A ND2 LEU 109.A O no hydrogen 3.401 N/A ASN 83.A ND2 THR 113.A OG1 no hydrogen 3.203 N/A ARG 84.A N GLN 81.A OE1 no hydrogen 2.973 N/A ARG 84.A NE ASP 120.A OD2 no hydrogen 3.179 N/A ARG 84.A NH2 ASP 120.A OD1 no hydrogen 3.027 N/A ARG 84.A NH2 ASP 120.A OD2 no hydrogen 3.456 N/A TYR 85.A N GLN 81.A O no hydrogen 3.075 N/A ALA 86.A N PHE 82.A O no hydrogen 2.812 N/A ALA 87.A N ASN 83.A O no hydrogen 2.892 N/A MET 88.A N ARG 84.A O no hydrogen 3.118 N/A ALA 89.A N TYR 85.A O no hydrogen 3.236 N/A LEU 90.A N ALA 86.A O no hydrogen 3.055 N/A LYS 91.A N ALA 87.A O no hydrogen 2.966 N/A LYS 91.A NZ ASP 95.A OD2 no hydrogen 3.099 N/A GLY 92.A N MET 88.A O no hydrogen 3.098 N/A LEU 93.A N ALA 89.A O no hydrogen 3.070 N/A PHE 94.A N LEU 90.A O no hydrogen 2.818 N/A ASP 95.A N LYS 91.A O no hydrogen 2.966 N/A GLN 96.A N GLY 92.A O no hydrogen 3.060 N/A GLN 96.A NE2 GLU 11.A O no hydrogen 2.613 N/A LEU 97.A N LEU 93.A O no hydrogen 2.871 N/A GLY 98.A N ASP 95.A O no hydrogen 3.265 N/A LEU 99.A N PHE 94.A O no hydrogen 2.936 N/A VAL 102.A N ARG 124.A O no hydrogen 3.006 N/A LEU 104.A N ARG 127.A O no hydrogen 3.022 N/A VAL 105.A N VAL 34.A O no hydrogen 2.840 N/A GLY 106.A N VAL 129.A O no hydrogen 2.883 N/A ASN 107.A N LEU 36.A O no hydrogen 3.081 N/A ASN 107.A ND2 ASN 48.A OD1 no hydrogen 3.160 N/A ALA 108.A N MET 131.A O no hydrogen 2.878 N/A GLY 111.A N ASN 107.A O no hydrogen 3.274 N/A GLY 111.A N ALA 108.A O no hydrogen 2.836 N/A GLY 112.A N ALA 108.A O no hydrogen 3.189 N/A THR 113.A N LEU 109.A O no hydrogen 3.077 N/A THR 113.A OG1 GLN 67.A OE1 no hydrogen 2.614 N/A ALA 114.A N GLY 110.A O no hydrogen 3.052 N/A VAL 115.A N GLY 111.A O no hydrogen 2.982 N/A ARG 116.A N GLY 112.A O no hydrogen 2.989 N/A ARG 116.A NE ASP 120.A OD1 no hydrogen 2.964 N/A ARG 116.A NE ASP 120.A OD2 no hydrogen 3.389 N/A ARG 116.A NH1 ALA 213.A O no hydrogen 2.806 N/A ARG 116.A NH1 GLU 219.A OE2 no hydrogen 2.969 N/A ARG 116.A NH2 ASP 120.A OD1 no hydrogen 2.795 N/A ARG 116.A NH2 GLU 219.A OE1 no hydrogen 2.978 N/A PHE 117.A N THR 113.A O no hydrogen 2.940 N/A ALA 118.A N ALA 114.A O no hydrogen 2.945 N/A LEU 119.A N VAL 115.A O no hydrogen 2.875 N/A ASP 120.A N ARG 116.A O no hydrogen 2.864 N/A TYR 121.A N PHE 117.A O no hydrogen 2.824 N/A ARG 124.A N TYR 121.A O no hydrogen 2.983 N/A ARG 124.A NE GLY 100.A O no hydrogen 2.857 N/A ARG 124.A NH1 ASP 95.A OD1 no hydrogen 2.856 N/A ARG 124.A NH1 LEU 99.A O no hydrogen 2.909 N/A ARG 124.A NH2 ASP 95.A OD1 no hydrogen 2.990 N/A GLY 126.A N VAL 102.A O no hydrogen 2.861 N/A ARG 127.A NH1 PHE 280.A O no hydrogen 2.704 N/A LEU 128.A N PRO 226.A O no hydrogen 3.338 N/A VAL 129.A N LEU 104.A O no hydrogen 2.913 N/A LEU 130.A N LEU 228.A O no hydrogen 2.938 N/A MET 131.A N GLY 106.A O no hydrogen 3.050 N/A GLY 132.A N ILE 230.A O no hydrogen 2.901 N/A GLY 134.A N ALA 108.A O no hydrogen 3.129 N/A LEU 136.A N GLY 134.A O no hydrogen 2.815 N/A SER 137.A OG PRO 133.A O no hydrogen 2.815 N/A ASN 139.A ND2 ASP 144.A OD1 no hydrogen 2.736 N/A PHE 141.A N ASP 241.A OD2 no hydrogen 2.932 N/A ALA 142.A N ASP 241.A OD2 no hydrogen 3.077 N/A THR 146.A OG1 VAL 237.A O no hydrogen 2.806 N/A GLY 148.A N ARG 236.A O no hydrogen 3.027 N/A VAL 149.A N THR 146.A OG1 no hydrogen 3.213 N/A LYS 150.A N THR 146.A O no hydrogen 2.772 N/A ARG 151.A N GLU 147.A O no hydrogen 2.886 N/A LEU 152.A N GLY 148.A O no hydrogen 3.266 N/A SER 153.A N VAL 149.A O no hydrogen 3.026 N/A SER 153.A OG VAL 149.A O no hydrogen 3.306 N/A LYS 154.A N LYS 150.A O no hydrogen 2.906 N/A PHE 155.A N ARG 151.A O no hydrogen 3.232 N/A SER 156.A N LEU 152.A O no hydrogen 3.006 N/A SER 156.A OG LEU 152.A O no hydrogen 2.614 N/A VAL 157.A N SER 153.A O no hydrogen 3.168 N/A VAL 157.A N LYS 154.A O no hydrogen 3.091 N/A ALA 158.A N LYS 154.A O no hydrogen 2.815 N/A THR 160.A N ALA 158.A O no hydrogen 2.841 N/A ARG 161.A NE ASP 184.A OD1 no hydrogen 2.705 N/A ARG 161.A NH1 GLU 165.A OE1 no hydrogen 3.354 N/A ARG 161.A NH2 ASP 184.A OD1 no hydrogen 3.063 N/A ASN 163.A N THR 160.A OG1 no hydrogen 3.067 N/A ASN 163.A ND2 ALA 158.A O no hydrogen 2.832 N/A LEU 164.A N THR 160.A O no hydrogen 3.097 N/A GLU 165.A N ARG 161.A O no hydrogen 2.924 N/A ALA 166.A N GLU 162.A O no hydrogen 3.102 N/A PHE 167.A N ASN 163.A O no hydrogen 3.103 N/A LEU 168.A N LEU 164.A O no hydrogen 2.832 N/A ARG 169.A N GLU 165.A O no hydrogen 2.960 N/A VAL 170.A N PHE 167.A O no hydrogen 3.149 N/A MET 171.A N LEU 168.A O no hydrogen 2.848 N/A TYR 173.A N GLU 268.A OE1 no hydrogen 2.805 N/A TYR 173.A N GLU 268.A OE2 no hydrogen 3.190 N/A ASP 174.A N GLU 268.A OE2 no hydrogen 2.933 N/A ASN 176.A N ASP 174.A OD1 no hydrogen 3.057 N/A LEU 177.A N ASP 174.A O no hydrogen 2.870 N/A ILE 178.A N LYS 175.A O no hydrogen 2.996 N/A THR 179.A OG1 GLU 181.A OE1 no hydrogen 3.458 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.811 N/A LEU 182.A N THR 179.A OG1 no hydrogen 3.251 N/A VAL 183.A N THR 179.A O no hydrogen 2.934 N/A ASP 184.A N PRO 180.A O no hydrogen 2.872 N/A GLN 185.A N GLU 181.A O no hydrogen 2.875 N/A ARG 186.A N LEU 182.A O no hydrogen 2.989 N/A ARG 186.A NH2 GLN 185.A OE1 no hydrogen 2.891 N/A PHE 187.A N VAL 183.A O no hydrogen 2.943 N/A ALA 188.A N ASP 184.A O no hydrogen 3.071 N/A ALA 190.A N ARG 186.A O no hydrogen 2.816 N/A SER 191.A N PHE 187.A O no hydrogen 3.115 N/A SER 191.A OG PHE 187.A O no hydrogen 2.684 N/A THR 192.A OG1 LEU 189.A O no hydrogen 3.468 N/A THR 192.A OG1 SER 195.A OG no hydrogen 3.305 N/A GLU 194.A N GLU 194.A OE2 no hydrogen 2.650 N/A SER 195.A N THR 192.A OG1 no hydrogen 3.244 N/A SER 195.A OG LEU 189.A O no hydrogen 2.820 N/A SER 195.A OG THR 192.A OG1 no hydrogen 3.305 N/A LEU 196.A N THR 192.A O no hydrogen 3.050 N/A THR 197.A N PRO 193.A O no hydrogen 2.958 N/A THR 197.A OG1 PRO 193.A O no hydrogen 3.161 N/A ALA 198.A N GLU 194.A O no hydrogen 2.949 N/A THR 199.A N SER 195.A O no hydrogen 2.920 N/A THR 199.A OG1 SER 195.A O no hydrogen 3.170 N/A ARG 200.A N LEU 196.A O no hydrogen 2.863 N/A ALA 201.A N THR 197.A O no hydrogen 2.825 N/A MET 202.A N ALA 198.A O no hydrogen 2.843 N/A GLY 203.A N THR 199.A O no hydrogen 2.986 N/A LYS 204.A N ARG 200.A O no hydrogen 3.204 N/A SER 205.A N ALA 201.A O no hydrogen 3.129 N/A SER 205.A N MET 202.A O no hydrogen 3.201 N/A SER 205.A OG MET 202.A O no hydrogen 2.604 N/A PHE 206.A N GLY 203.A O no hydrogen 3.294 N/A GLY 208.A N SER 205.A O no hydrogen 3.123 N/A ALA 213.A N ASP 210.A O no hydrogen 3.213 N/A GLY 214.A N PHE 211.A O no hydrogen 2.975 N/A MET 215.A N GLU 212.A O no hydrogen 2.903 N/A MET 216.A N GLY 135.A O no hydrogen 2.810 N/A ARG 218.A N MET 215.A O no hydrogen 3.216 N/A GLU 219.A N MET 216.A O no hydrogen 2.938 N/A VAL 220.A N MET 216.A O no hydrogen 3.202 N/A ARG 222.A N.A GLU 219.A O no hydrogen 2.898 N/A ARG 222.A N.B GLU 219.A O no hydrogen 2.903 N/A ARG 222.A NE.B TYR 221.A OH no hydrogen 3.251 N/A ARG 222.A NH2.B TYR 221.A OH no hydrogen 3.279 N/A LEU 223.A N VAL 220.A O no hydrogen 3.248 N/A GLN 225.A N GLN 225.A OE1 no hydrogen 2.924 N/A GLN 225.A NE2 GLY 126.A O no hydrogen 2.968 N/A VAL 227.A N ARG 252.A O no hydrogen 3.227 N/A LEU 228.A N LEU 128.A O no hydrogen 2.816 N/A LEU 229.A N GLN 254.A O no hydrogen 2.878 N/A ILE 230.A N LEU 130.A O no hydrogen 2.789 N/A TRP 231.A N HIS 256.A O no hydrogen 2.886 N/A TRP 231.A NE1 ASN 238.A O no hydrogen 2.771 N/A ARG 233.A N PHE 258.A O no hydrogen 2.901 N/A ARG 233.A NE GLU 234.A OE2 no hydrogen 2.817 N/A ARG 233.A NH2 GLU 234.A OE2 no hydrogen 2.909 N/A GLU 234.A N CYS 261.A O no hydrogen 3.017 N/A ASP 235.A N GLY 232.A O no hydrogen 3.012 N/A ARG 236.A NH1 GLU 147.A OE1 no hydrogen 3.466 N/A VAL 237.A N ASP 235.A OD1 no hydrogen 2.813 N/A ASN 238.A N ASP 235.A OD1 no hydrogen 2.849 N/A ASN 238.A ND2 GLY 132.A O no hydrogen 2.905 N/A GLY 242.A N PRO 239.A O no hydrogen 2.863 N/A ALA 243.A N LEU 240.A O no hydrogen 2.987 N/A LEU 247.A N ALA 243.A O no hydrogen 2.951 N/A LYS 248.A N LEU 244.A O no hydrogen 3.015 N/A THR 249.A N VAL 245.A O no hydrogen 2.941 N/A THR 249.A OG1 VAL 245.A O no hydrogen 2.763 N/A ILE 250.A N ALA 246.A O no hydrogen 3.039 N/A ARG 252.A NH1 ARG 224.A O no hydrogen 3.367 N/A ALA 253.A N ILE 250.A O no hydrogen 3.076 N/A GLN 254.A N VAL 227.A O no hydrogen 2.888 N/A HIS 256.A N LEU 229.A O no hydrogen 2.844 N/A PHE 258.A N TRP 231.A O no hydrogen 2.919 N/A GLN 260.A N GLU 234.A OE2 no hydrogen 3.412 N/A CYS 261.A N GLU 234.A OE1 no hydrogen 2.903 N/A CYS 261.A SG GLY 262.A O no hydrogen 3.713 N/A GLY 262.A N GLU 268.A OE1 no hydrogen 2.680 N/A HIS 263.A ND1 ASP 235.A OD2 no hydrogen 2.597 N/A TRP 264.A N MET 171.A O no hydrogen 3.150 N/A GLN 266.A N GLN 266.A OE1 no hydrogen 2.767 N/A GLN 266.A NE2 ASN 48.A O no hydrogen 2.961 N/A VAL 267.A N TRP 264.A O no hydrogen 3.050 N/A GLU 268.A N TRP 264.A O no hydrogen 3.022 N/A LYS 269.A N VAL 265.A O no hydrogen 2.975 N/A LYS 269.A NZ GLY 259.A O no hydrogen 3.532 N/A GLU 272.A N GLU 272.A OE1 no hydrogen 2.637 N/A PHE 273.A N LYS 269.A O no hydrogen 2.773 N/A ASN 274.A N PHE 270.A O no hydrogen 2.809 N/A ASN 274.A ND2 ARG 51.A O no hydrogen 3.114 N/A LYS 275.A N ASP 271.A O no hydrogen 3.039 N/A LYS 275.A NZ ASP 271.A OD1 no hydrogen 3.013 N/A LEU 276.A N GLU 272.A O no hydrogen 3.084 N/A THR 277.A N PHE 273.A O no hydrogen 3.036 N/A THR 277.A OG1 PHE 273.A O no hydrogen 2.996 N/A ILE 278.A N ASN 274.A O no hydrogen 2.981 N/A GLU 279.A N LYS 275.A O no hydrogen 3.129 N/A PHE 280.A N LEU 276.A O no hydrogen 2.923 N/A LEU 281.A N THR 277.A O no hydrogen 2.996 N/A GLY 282.A N GLU 279.A O no hydrogen 3.142 N/A GLY 283.A N ILE 278.A O no hydrogen 2.895 N/A