Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3l6r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ASP 241.A OD2 no hydrogen 2.522 N/A SER 6.A N ASP 9.A OD2 no hydrogen 3.030 N/A ASP 9.A N SER 6.A OG no hydrogen 3.409 N/A GLU 11.A N PHE 7.A O no hydrogen 2.946 N/A LYS 12.A N ALA 8.A O no hydrogen 3.036 N/A ALA 13.A N ASP 9.A O no hydrogen 2.963 N/A HIS 14.A N VAL 10.A O no hydrogen 2.955 N/A HIS 14.A NE2 GLU 158.A OE2 no hydrogen 2.898 N/A ILE 15.A N.A GLU 11.A O ILE 15.A H.A 3.249 2.275 ILE 15.A N.B GLU 11.A O ILE 15.A H.B 3.243 2.266 ILE 17.A N ALA 13.A O no hydrogen 2.966 N/A ARG 18.A N HIS 14.A O no hydrogen 2.959 N/A SER 20.A N ILE 17.A O no hydrogen 2.845 N/A HIS 22.A N GLN 48.A OE1 no hydrogen 2.943 N/A THR 24.A OG1 GLU 45.A OE2 no hydrogen 2.664 N/A LEU 27.A N PHE 42.A O LEU 27.A H.A 2.971 2.028 LEU 32.A N SER 29.A OG no hydrogen 3.232 N/A ASN 33.A N SER 29.A O no hydrogen 3.098 N/A GLN 34.A N SER 30.A O no hydrogen 2.959 N/A LEU 35.A N ILE 31.A O no hydrogen 2.970 N/A THR 36.A N LEU 32.A O no hydrogen 3.184 N/A THR 36.A OG1 LEU 32.A O no hydrogen 3.012 N/A THR 36.A OG1 ASN 33.A O no hydrogen 3.568 N/A GLY 37.A N ASN 33.A O no hydrogen 2.909 N/A ARG 38.A N THR 36.A OG1 no hydrogen 3.303 N/A ARG 38.A NH1 VAL 287.A O no hydrogen 2.964 N/A ARG 38.A NH2 SER 288.A O no hydrogen 3.035 N/A ARG 38.A NH2 VAL 291.A O no hydrogen 2.871 N/A ASN 39.A N LYS 292.A O ASN 39.A H.A 2.949 1.964 ASN 39.A ND2.A ASN 293.A OD1 ASN 39.A HD22.A 2.845 1.876 LEU 40.A N ASN 33.A OD1 no hydrogen 2.984 N/A PHE 41.A N ILE 294.A O no hydrogen 2.795 N/A PHE 42.A N LEU 27.A O no hydrogen 2.774 N/A LYS 43.A N ILE 296.A O no hydrogen 3.072 N/A LYS 43.A NZ THR 24.A O no hydrogen 2.963 N/A LYS 43.A NZ THR 24.A OG1 no hydrogen 2.928 N/A LYS 43.A NZ GLU 158.A OE1 no hydrogen 2.803 N/A LYS 43.A NZ GLN 162.A OE1 no hydrogen 2.908 N/A CYS 44.A N PRO 25.A O no hydrogen 3.034 N/A CYS 44.A SG PHE 42.A O no hydrogen 3.641 N/A GLU 45.A N LYS 43.A O no hydrogen 3.045 N/A PHE 47.A N CYS 44.A O no hydrogen 3.352 N/A GLN 48.A N GLU 45.A O no hydrogen 2.926 N/A GLN 48.A NE2 HIS 22.A O no hydrogen 3.004 N/A GLN 48.A NE2 GLU 45.A OE1 no hydrogen 3.324 N/A LYS 49.A N GLN 48.A OE1 no hydrogen 3.095 N/A LYS 49.A NZ SER 20.A O no hydrogen 3.033 N/A THR 50.A OG1 LYS 49.A O no hydrogen 2.633 N/A GLY 51.A N GLN 48.A O no hydrogen 3.066 N/A PHE 53.A N SER 299.A O no hydrogen 3.241 N/A ARG 55.A N PHE 53.A O no hydrogen 2.992 N/A ARG 55.A NE GLU 45.A OE1 no hydrogen 2.930 N/A ARG 55.A NH1 THR 154.A OG1 no hydrogen 2.929 N/A ARG 55.A NH1 GLU 158.A OE2 no hydrogen 2.939 N/A ARG 55.A NH2 GLU 45.A OE1 no hydrogen 3.486 N/A ARG 55.A NH2 GLU 45.A OE2 no hydrogen 2.928 N/A ARG 55.A NH2 GLU 158.A OE1 no hydrogen 2.841 N/A ARG 55.A NH2 GLU 158.A OE2 no hydrogen 3.328 N/A GLY 56.A N GLN 152.A OE1 no hydrogen 2.884 N/A LEU 58.A N ILE 54.A O no hydrogen 2.896 N/A ASN 59.A N ARG 55.A O no hydrogen 3.128 N/A ASN 59.A ND2 ALA 147.A O no hydrogen 2.892 N/A ALA 60.A N GLY 56.A O no hydrogen 3.138 N/A VAL 61.A N ALA 57.A O no hydrogen 2.942 N/A ARG 62.A N LEU 58.A O ARG 62.A H.A 3.097 2.105 ARG 62.A NH1.A ASN 16.A O ARG 62.A HH11.A 2.990 2.253 ARG 62.A NH1.A SER 20.A OG ARG 62.A HH12.A 3.119 2.315 ARG 62.A NH2.A SER 20.A OG ARG 62.A HH22.A 2.864 1.954 ARG 62.A NH2.B ASN 16.A O ARG 62.A HH21.B 3.130 2.192 SER 63.A N ASN 59.A O SER 63.A H.A 3.108 2.280 SER 63.A N ALA 60.A O SER 63.A H.A 3.346 2.628 SER 63.A OG.B ASN 59.A O SER 63.A HG.B 2.817 1.927 LEU 64.A N ALA 60.A O no hydrogen 2.905 N/A LYS 67.A NZ GLU 137.A OE1 no hydrogen 2.894 N/A VAL 69.A N PRO 91.A O no hydrogen 2.987 N/A VAL 70.A N ILE 139.A O no hydrogen 2.962 N/A THR 71.A N TYR 93.A O no hydrogen 3.236 N/A THR 71.A OG1 HIS 72.A O no hydrogen 3.373 N/A THR 71.A OG1 VAL 140.A O no hydrogen 2.612 N/A SER 73.A N VAL 95.A O no hydrogen 2.810 N/A GLY 75.A N SER 73.A OG no hydrogen 2.860 N/A ASN 76.A ND2 GLU 269.A OE2 no hydrogen 2.985 N/A HIS 77.A NE2 VAL 140.A O no hydrogen 3.033 N/A GLY 78.A N SER 73.A OG no hydrogen 2.834 N/A GLN 79.A N GLY 75.A O no hydrogen 2.999 N/A GLN 79.A NE2 GLY 75.A O no hydrogen 3.541 N/A ALA 80.A N ASN 76.A O no hydrogen 3.067 N/A LEU 81.A N HIS 77.A O no hydrogen 2.838 N/A THR 82.A N GLY 78.A O no hydrogen 3.026 N/A THR 82.A OG1 GLY 78.A O no hydrogen 2.749 N/A TYR 83.A N GLN 79.A O no hydrogen 3.084 N/A ALA 84.A N ALA 80.A O no hydrogen 2.965 N/A ALA 85.A N LEU 81.A O no hydrogen 2.903 N/A LYS 86.A N THR 82.A O no hydrogen 2.897 N/A LEU 87.A N TYR 83.A O no hydrogen 3.183 N/A GLU 88.A N ALA 85.A O no hydrogen 3.006 N/A GLY 89.A N LYS 86.A O no hydrogen 2.974 N/A ILE 90.A N ALA 85.A O no hydrogen 2.958 N/A TYR 93.A N VAL 69.A O no hydrogen 2.891 N/A ILE 94.A N SER 114.A O no hydrogen 2.917 N/A VAL 95.A N THR 71.A O no hydrogen 2.929 N/A VAL 96.A N VAL 116.A O no hydrogen 2.994 N/A GLN 98.A N CYS 118.A O no hydrogen 2.911 N/A ALA 100.A N PRO 97.A O no hydrogen 3.051 N/A CYS 103.A N ASP 304.A OD1 no hydrogen 2.649 N/A LYS 104.A N PRO 101.A O no hydrogen 3.066 N/A LYS 104.A NZ ASP 225.A OD2 no hydrogen 2.728 N/A LYS 104.A NZ GLU 269.A OE1 no hydrogen 2.819 N/A LYS 105.A N PRO 101.A O no hydrogen 3.118 N/A LYS 105.A NZ GLN 98.A O no hydrogen 2.702 N/A LEU 106.A N ASP 102.A O no hydrogen 2.845 N/A ALA 107.A N CYS 103.A O no hydrogen 3.174 N/A ILE 108.A N LYS 104.A O no hydrogen 3.154 N/A GLN 109.A N LYS 105.A O no hydrogen 3.320 N/A GLN 109.A NE2 LYS 105.A O no hydrogen 3.006 N/A ALA 110.A N LEU 106.A O no hydrogen 2.913 N/A TYR 111.A N ALA 107.A O no hydrogen 3.073 N/A GLY 112.A N GLN 109.A O no hydrogen 2.956 N/A ALA 113.A N ILE 108.A O no hydrogen 3.312 N/A SER 114.A N ALA 92.A O SER 114.A H.A 3.118 2.167 VAL 116.A N ILE 94.A O no hydrogen 2.885 N/A CYS 118.A N VAL 96.A O no hydrogen 2.880 N/A CYS 118.A SG GLU 119.A O no hydrogen 3.427 N/A GLU 119.A N SER 124.A OG no hydrogen 3.050 N/A SER 121.A N GLU 119.A O no hydrogen 2.859 N/A SER 124.A N SER 121.A OG no hydrogen 3.003 N/A ARG 125.A N SER 121.A O no hydrogen 3.105 N/A ARG 125.A NE HIS 72.A ND1 no hydrogen 3.024 N/A ARG 125.A NH2 HIS 72.A ND1 no hydrogen 3.095 N/A GLU 126.A N ASP 122.A O no hydrogen 2.974 N/A ASN 127.A N GLU 123.A O no hydrogen 2.952 N/A VAL 128.A N SER 124.A O no hydrogen 2.979 N/A ALA 129.A N ARG 125.A O no hydrogen 3.123 N/A LYS 130.A N GLU 126.A O no hydrogen 3.048 N/A ARG 131.A N ASN 127.A O no hydrogen 3.110 N/A ARG 131.A NE GLU 135.A OE2 no hydrogen 3.198 N/A VAL 132.A N VAL 128.A O no hydrogen 2.902 N/A THR 133.A N ALA 129.A O no hydrogen 2.935 N/A THR 133.A OG1 ALA 129.A O no hydrogen 2.615 N/A GLU 134.A N LYS 130.A O no hydrogen 3.118 N/A GLU 135.A N ARG 131.A O no hydrogen 2.921 N/A THR 136.A N VAL 132.A O no hydrogen 2.993 N/A THR 136.A OG1 VAL 132.A O no hydrogen 2.732 N/A THR 136.A OG1 THR 133.A O no hydrogen 3.374 N/A GLU 137.A N GLU 134.A O no hydrogen 3.343 N/A GLY 138.A N THR 133.A O no hydrogen 3.210 N/A GLY 138.A N THR 136.A OG1 no hydrogen 3.126 N/A ILE 139.A N ALA 68.A O no hydrogen 2.931 N/A HIS 141.A NE2 GLU 126.A OE2 no hydrogen 2.860 N/A ASN 143.A N HIS 141.A ND1 no hydrogen 3.067 N/A GLN 144.A N HIS 141.A ND1 no hydrogen 3.018 N/A GLN 144.A NE2 ASN 143.A OD1 no hydrogen 2.816 N/A GLN 144.A NE2 GLY 175.A O no hydrogen 3.241 N/A GLN 144.A NE2 THR 235.A OG1 no hydrogen 3.169 N/A ILE 149.A N GLU 145.A O no hydrogen 2.982 N/A ALA 150.A N PRO 146.A O no hydrogen 3.039 N/A GLY 151.A N ALA 147.A O no hydrogen 3.154 N/A GLN 152.A N VAL 148.A O no hydrogen 2.995 N/A GLY 153.A N ILE 149.A O no hydrogen 3.107 N/A THR 154.A N GLY 151.A O no hydrogen 3.263 N/A THR 154.A OG1 GLY 151.A O no hydrogen 2.738 N/A ILE 155.A N GLN 152.A O no hydrogen 3.222 N/A ALA 156.A N GLY 153.A O no hydrogen 2.985 N/A GLU 158.A N THR 154.A O no hydrogen 3.303 N/A VAL 159.A N ILE 155.A O no hydrogen 3.027 N/A LEU 160.A N ALA 156.A O LEU 160.A H.B 3.073 2.083 ASN 161.A N GLU 158.A O ASN 161.A H.A 3.126 2.426 GLN 162.A N GLU 158.A O no hydrogen 2.856 N/A GLN 162.A NE2 THR 24.A O no hydrogen 3.054 N/A VAL 163.A N VAL 159.A O no hydrogen 2.846 N/A VAL 166.A N VAL 163.A O no hydrogen 2.929 N/A ASP 167.A N ASN 293.A O no hydrogen 2.772 N/A ALA 168.A N ASN 293.A O no hydrogen 3.270 N/A LEU 169.A N LYS 193.A O no hydrogen 2.875 N/A VAL 170.A N CYS 295.A O no hydrogen 2.900 N/A VAL 171.A N TYR 195.A O no hydrogen 2.976 N/A VAL 173.A N ALA 197.A O no hydrogen 3.072 N/A ALA 179.A N GLY 176.A O no hydrogen 2.959 N/A GLY 180.A N GLY 177.A O no hydrogen 3.089 N/A ALA 182.A N LEU 178.A O no hydrogen 2.854 N/A ILE 183.A N ALA 179.A O no hydrogen 3.040 N/A THR 184.A N GLY 180.A O no hydrogen 3.266 N/A THR 184.A OG1 GLY 153.A O no hydrogen 3.500 N/A THR 184.A OG1 GLY 180.A O no hydrogen 2.801 N/A VAL 185.A N ILE 181.A O no hydrogen 2.931 N/A LYS 186.A N ALA 182.A O no hydrogen 3.063 N/A LYS 186.A NZ PRO 190.A O no hydrogen 3.033 N/A LYS 186.A NZ VAL 192.A O no hydrogen 2.896 N/A LYS 186.A NZ ASP 244.A OD2 no hydrogen 2.821 N/A ALA 187.A N ILE 183.A O no hydrogen 3.153 N/A LEU 188.A N THR 184.A O no hydrogen 3.125 N/A LYS 189.A N VAL 185.A O no hydrogen 2.874 N/A VAL 192.A N LYS 189.A O no hydrogen 3.044 N/A LYS 193.A N ASP 167.A O LYS 193.A H.B 2.930 1.957 VAL 194.A N ASP 244.A OD2 no hydrogen 2.873 N/A TYR 195.A N LEU 169.A O no hydrogen 2.915 N/A ALA 196.A N ASP 245.A O no hydrogen 3.020 N/A ALA 197.A N VAL 171.A O no hydrogen 2.918 N/A GLU 198.A N PHE 247.A O no hydrogen 2.904 N/A SER 200.A N VAL 249.A O no hydrogen 2.906 N/A ALA 202.A N PRO 199.A O no hydrogen 2.916 N/A CYS 205.A N GLU 198.A OE2 no hydrogen 2.845 N/A TYR 206.A N GLU 198.A OE1 no hydrogen 2.812 N/A GLN 207.A N ASP 203.A O no hydrogen 2.985 N/A GLN 207.A NE2 ASP 203.A OD2 no hydrogen 3.097 N/A SER 208.A N ASP 204.A O no hydrogen 2.794 N/A SER 208.A OG ASP 204.A O no hydrogen 2.729 N/A LYS 209.A N CYS 205.A O no hydrogen 3.050 N/A LYS 209.A NZ ILE 239.A O no hydrogen 3.029 N/A LYS 209.A NZ ARG 240.A O no hydrogen 3.068 N/A LYS 209.A NZ VAL 243.A O no hydrogen 2.831 N/A LEU 210.A N TYR 206.A O no hydrogen 3.086 N/A LYS 211.A N GLN 207.A O no hydrogen 2.976 N/A GLY 212.A N SER 208.A O no hydrogen 2.827 N/A LYS 213.A N SER 208.A O no hydrogen 3.291 N/A ASN 216.A N SER 230.A OG no hydrogen 3.023 N/A ASN 216.A ND2 ASP 204.A OD1 no hydrogen 3.107 N/A THR 222.A OG1 GLU 251.A OE1 no hydrogen 2.615 N/A THR 222.A OG1 GLU 251.A OE2 no hydrogen 3.462 N/A ILE 223.A N GLU 251.A OE2 ILE 223.A H.B 2.884 1.903 ALA 224.A N THR 222.A OG1 no hydrogen 2.949 N/A GLY 226.A N THR 271.A OG1 no hydrogen 2.956 N/A VAL 227.A N ALA 224.A O no hydrogen 3.236 N/A SER 230.A N ASP 122.A OD2 no hydrogen 3.336 N/A SER 230.A OG ASP 122.A OD2 no hydrogen 3.154 N/A ILE 231.A N ASP 204.A OD2 no hydrogen 2.844 N/A ASN 234.A N GLN 144.A OE1 no hydrogen 2.840 N/A ASN 234.A ND2 GLN 144.A O no hydrogen 2.810 N/A THR 235.A N GLN 144.A OE1 no hydrogen 3.127 N/A THR 235.A OG1 GLY 175.A O no hydrogen 2.835 N/A TRP 236.A N GLY 232.A O no hydrogen 2.983 N/A ILE 239.A N THR 235.A O no hydrogen 3.036 N/A ARG 240.A N TRP 236.A O no hydrogen 2.791 N/A ARG 240.A NE ASP 241.A OD1 no hydrogen 2.850 N/A ARG 240.A NH2 ASP 241.A OD1 no hydrogen 3.491 N/A ARG 240.A NH2 ASP 241.A OD2 no hydrogen 3.194 N/A ASP 241.A N PRO 237.A O no hydrogen 3.213 N/A LEU 242.A N ILE 238.A O no hydrogen 2.960 N/A VAL 243.A N ILE 239.A O no hydrogen 3.327 N/A ASP 244.A N VAL 194.A O no hydrogen 2.952 N/A ILE 246.A N ASP 245.A OD1 no hydrogen 2.873 N/A PHE 247.A N ALA 196.A O no hydrogen 2.886 N/A VAL 249.A N GLU 198.A O no hydrogen 2.912 N/A THR 250.A N GLU 253.A OE1 no hydrogen 2.874 N/A THR 250.A OG1 GLU 253.A OE1 no hydrogen 3.148 N/A GLU 253.A N THR 250.A OG1 no hydrogen 3.318 N/A ILE 254.A N THR 250.A O no hydrogen 2.984 N/A LYS 255.A N GLU 251.A O no hydrogen 3.009 N/A CYS 256.A N ASP 252.A O no hydrogen 2.931 N/A CYS 256.A SG ASP 252.A O no hydrogen 3.409 N/A CYS 256.A SG ASP 252.A OD2 no hydrogen 3.750 N/A ALA 257.A N GLU 253.A O no hydrogen 2.944 N/A THR 258.A N ILE 254.A O no hydrogen 3.048 N/A THR 258.A OG1 ILE 254.A O no hydrogen 2.797 N/A GLN 259.A N LYS 255.A O no hydrogen 3.074 N/A GLN 259.A NE2 GLU 263.A OE1 no hydrogen 3.516 N/A GLN 259.A NE2 GLU 263.A OE2 no hydrogen 3.109 N/A GLN 259.A NE2 LYS 313.A O no hydrogen 2.990 N/A LEU 260.A N CYS 256.A O no hydrogen 3.056 N/A VAL 261.A N ALA 257.A O no hydrogen 3.144 N/A TRP 262.A N THR 258.A O no hydrogen 3.068 N/A TRP 262.A NE1 ILE 268.A O no hydrogen 2.920 N/A GLU 263.A N GLN 259.A O no hydrogen 2.954 N/A ARG 264.A N LEU 260.A O no hydrogen 2.835 N/A LYS 265.A NZ GLU 263.A O no hydrogen 2.676 N/A ILE 268.A N LEU 266.A O no hydrogen 2.864 N/A GLU 269.A N GLY 300.A O no hydrogen 2.913 N/A ALA 272.A N GLU 269.A O no hydrogen 2.971 N/A GLY 273.A N PRO 270.A O no hydrogen 2.865 N/A VAL 274.A N THR 271.A O no hydrogen 3.182 N/A ALA 277.A N GLY 273.A O no hydrogen 2.994 N/A ALA 278.A N VAL 274.A O no hydrogen 3.036 N/A VAL 279.A N GLY 275.A O no hydrogen 3.313 N/A LEU 280.A N VAL 276.A O no hydrogen 3.085 N/A SER 281.A N ALA 278.A O no hydrogen 3.173 N/A SER 281.A OG ALA 278.A O no hydrogen 2.706 N/A GLN 282.A NE2 GLN 285.A OE1 no hydrogen 3.619 N/A GLN 285.A N GLN 282.A O no hydrogen 3.016 N/A THR 286.A N HIS 283.A O no hydrogen 2.952 N/A THR 286.A OG1 HIS 283.A O no hydrogen 2.779 N/A VAL 287.A N PHE 284.A O no hydrogen 3.041 N/A GLU 290.A N SER 288.A OG no hydrogen 2.992 N/A VAL 291.A N SER 288.A O no hydrogen 2.880 N/A LYS 292.A N ASP 167.A OD2 no hydrogen 3.049 N/A LYS 292.A NZ ASN 39.A OD1.B no hydrogen 2.712 N/A ASN 293.A N ASP 167.A OD2 no hydrogen 2.854 N/A ASN 293.A ND2 LEU 165.A O no hydrogen 3.136 N/A ILE 294.A N ASN 39.A O no hydrogen 2.921 N/A CYS 295.A N ALA 168.A O no hydrogen 2.978 N/A CYS 295.A SG PHE 41.A O no hydrogen 3.610 N/A ILE 296.A N PHE 41.A O ILE 296.A H.A 2.823 1.884 VAL 297.A N VAL 170.A O no hydrogen 3.126 N/A LEU 298.A N LYS 43.A O no hydrogen 2.973 N/A GLY 301.A N GLY 51.A O no hydrogen 2.853 N/A ASN 302.A N GLU 269.A OE2 no hydrogen 3.101 N/A ASN 302.A ND2 THR 50.A O no hydrogen 3.205 N/A ASN 302.A ND2 ASN 76.A OD1 no hydrogen 2.493 N/A VAL 303.A N GLY 301.A O no hydrogen 3.167 N/A SER 308.A N ASP 304.A O no hydrogen 3.220 N/A SER 308.A OG ASP 304.A O no hydrogen 3.043 N/A THR 310.A N SER 307.A O no hydrogen 3.006 N/A TRP 311.A N SER 308.A O no hydrogen 3.050 N/A VAL 312.A N SER 308.A O no hydrogen 3.168 N/A LYS 313.A N GLN 259.A OE1 no hydrogen 2.868 N/A LYS 313.A NZ GLN 314.A O no hydrogen 2.969 N/A GLN 314.A N GLN 314.A OE1 no hydrogen 3.032 N/A