Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4d8u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 7.A ND1 HIS 7.A O no hydrogen 2.693 N/A THR 9.A OG1 THR 9.A O no hydrogen 2.550 N/A LEU 14.A N GLU 57.A O no hydrogen 2.623 N/A PHE 16.A N GLU 57.A OE2 no hydrogen 2.673 N/A ILE 17.A N GLU 57.A OE2 no hydrogen 3.071 N/A THR 21.A OG1 ASP 42.A OD1 no hydrogen 2.706 N/A GLU 24.A N ILE 39.A O no hydrogen 2.913 N/A LEU 26.A N ILE 37.A O no hydrogen 2.970 N/A LEU 29.A N GLU 280.A OE1 no hydrogen 2.985 N/A SER 30.A N LEU 26.A O no hydrogen 2.716 N/A SER 30.A OG LEU 26.A O no hydrogen 2.940 N/A ASP 31.A N PRO 27.A O no hydrogen 2.899 N/A TYR 32.A N ARG 28.A O no hydrogen 2.862 N/A LEU 33.A N LEU 29.A O no hydrogen 2.793 N/A GLY 34.A N SER 30.A O no hydrogen 2.660 N/A ARG 35.A N SER 30.A O no hydrogen 3.249 N/A ARG 35.A NE ASP 308.A O no hydrogen 2.928 N/A ARG 35.A NE GLY 309.A O no hydrogen 3.639 N/A ILE 37.A N SER 30.A OG no hydrogen 2.781 N/A TYR 38.A N ILE 311.A O no hydrogen 2.852 N/A ILE 39.A N GLU 24.A O no hydrogen 2.820 N/A LYS 40.A N PHE 313.A O no hydrogen 2.786 N/A LYS 40.A NZ THR 21.A O no hydrogen 2.791 N/A LYS 40.A NZ THR 21.A OG1 no hydrogen 3.049 N/A LYS 40.A NZ GLU 176.A OE2 no hydrogen 2.787 N/A LYS 40.A NZ GLN 180.A OE1 no hydrogen 2.992 N/A ARG 41.A N PRO 22.A O no hydrogen 3.005 N/A ARG 41.A NE ASP 43.A OD1 no hydrogen 3.012 N/A ARG 41.A NH1 ASP 43.A OD1 no hydrogen 3.551 N/A ARG 41.A NH1 ASP 43.A OD2 no hydrogen 2.675 N/A ARG 41.A NH2 GLU 24.A OE1 no hydrogen 3.114 N/A ASP 42.A N LYS 40.A O no hydrogen 3.053 N/A ASP 43.A N ASP 43.A OD1 no hydrogen 2.588 N/A VAL 44.A N ARG 41.A O no hydrogen 3.368 N/A THR 45.A OG1 ASP 42.A O no hydrogen 3.481 N/A GLY 50.A N ILE 47.A O no hydrogen 2.771 N/A ASN 52.A N THR 316.A O no hydrogen 2.942 N/A ASN 52.A ND2 THR 199.A OG1 no hydrogen 2.895 N/A ARG 54.A N ASN 52.A O no hydrogen 3.132 N/A ARG 54.A NE ASP 42.A OD2 no hydrogen 2.698 N/A ARG 54.A NH1 ASP 42.A OD1 no hydrogen 3.162 N/A ARG 54.A NH1 ASP 42.A OD2 no hydrogen 3.344 N/A ARG 54.A NH1 GLU 176.A OE1 no hydrogen 3.560 N/A ARG 54.A NH1 GLU 176.A OE2 no hydrogen 2.936 N/A ARG 54.A NH2 GLU 176.A OE1 no hydrogen 3.199 N/A LYS 55.A NZ GLY 160.A O no hydrogen 3.179 N/A LYS 55.A NZ SER 162.A OG no hydrogen 2.994 N/A LYS 55.A NZ THR 199.A OG1 no hydrogen 3.259 N/A GLU 57.A N LEU 53.A O no hydrogen 2.914 N/A PHE 58.A N LYS 55.A O no hydrogen 2.929 N/A LEU 59.A N LYS 55.A O no hydrogen 3.191 N/A VAL 60.A N LEU 56.A O no hydrogen 2.771 N/A ASP 62.A N PHE 58.A O no hydrogen 3.055 N/A ALA 63.A N LEU 59.A O no hydrogen 2.852 N/A LEU 64.A N VAL 60.A O no hydrogen 3.025 N/A ARG 65.A N ALA 61.A O no hydrogen 3.287 N/A GLU 66.A N ASP 62.A O no hydrogen 3.022 N/A GLY 67.A N LEU 64.A O no hydrogen 2.709 N/A ALA 68.A N ALA 63.A O no hydrogen 3.082 N/A ASP 69.A N ARG 153.A O no hydrogen 2.778 N/A THR 70.A N ARG 153.A O no hydrogen 3.148 N/A THR 70.A OG1 ASP 69.A OD1 no hydrogen 2.710 N/A LEU 71.A N HIS 95.A O no hydrogen 2.815 N/A ILE 72.A N TYR 155.A O no hydrogen 2.901 N/A THR 73.A N VAL 97.A O no hydrogen 3.018 N/A THR 73.A OG1 ILE 157.A O no hydrogen 2.677 N/A THR 73.A OG1 PRO 158.A O no hydrogen 3.250 N/A GLY 75.A N LEU 99.A O no hydrogen 3.021 N/A ILE 77.A N GLU 101.A O no hydrogen 3.001 N/A GLN 78.A NE2 TYR 111.A O no hydrogen 2.748 N/A GLN 78.A NE2 ASN 114.A O no hydrogen 2.904 N/A SER 79.A N ALA 76.A O no hydrogen 3.060 N/A VAL 82.A N SER 79.A OG no hydrogen 3.052 N/A ARG 83.A N SER 79.A O no hydrogen 3.427 N/A ARG 83.A NE ASN 116.A OD1 no hydrogen 2.637 N/A ARG 83.A NH1 ALA 48.A O no hydrogen 2.755 N/A ARG 83.A NH1 GLY 50.A O no hydrogen 3.289 N/A ARG 83.A NH2 ASN 80.A OD1 no hydrogen 3.127 N/A GLN 84.A N ASN 80.A O no hydrogen 3.031 N/A THR 85.A N HIS 81.A O no hydrogen 2.813 N/A THR 85.A OG1 HIS 81.A O no hydrogen 2.793 N/A ALA 86.A N VAL 82.A O no hydrogen 2.847 N/A ALA 87.A N ARG 83.A O no hydrogen 3.152 N/A VAL 88.A N GLN 84.A O no hydrogen 2.976 N/A ALA 89.A N THR 85.A O no hydrogen 2.917 N/A ALA 90.A N ALA 86.A O no hydrogen 3.091 N/A LYS 91.A N ALA 87.A O no hydrogen 2.828 N/A LEU 92.A N VAL 88.A O no hydrogen 2.862 N/A GLY 93.A N ALA 89.A O no hydrogen 2.603 N/A LEU 94.A N ALA 89.A O no hydrogen 2.961 N/A HIS 95.A N ASP 69.A O no hydrogen 3.030 N/A HIS 95.A ND1 ASP 69.A O no hydrogen 3.293 N/A CYS 96.A SG LEU 71.A O no hydrogen 4.049 N/A VAL 97.A N LEU 71.A O no hydrogen 2.859 N/A ALA 98.A N GLN 126.A O no hydrogen 2.833 N/A LEU 99.A N THR 73.A O no hydrogen 2.813 N/A LEU 100.A N GLU 128.A O no hydrogen 2.941 N/A GLU 101.A N GLY 75.A O no hydrogen 3.214 N/A ASN 102.A ND2 THR 106.A O no hydrogen 2.905 N/A ILE 104.A N ASN 102.A OD1 no hydrogen 3.399 N/A LEU 112.A N ALA 108.A O no hydrogen 3.193 N/A THR 113.A N GLU 109.A O no hydrogen 2.871 N/A THR 113.A OG1 GLU 109.A O no hydrogen 2.869 N/A ASN 114.A N ASN 110.A O no hydrogen 2.865 N/A ASN 114.A ND2 ASN 110.A OD1 no hydrogen 2.914 N/A ASN 116.A ND2 GLN 78.A O no hydrogen 3.258 N/A ASN 116.A ND2 ASN 80.A OD1 no hydrogen 2.966 N/A ARG 117.A NH1 ARG 117.A O no hydrogen 3.041 N/A ARG 117.A NH1 ASP 121.A OD1 no hydrogen 3.185 N/A LEU 118.A N ASN 114.A O no hydrogen 3.219 N/A LEU 118.A N GLY 115.A O no hydrogen 2.967 N/A LEU 120.A N ASN 116.A O no hydrogen 3.169 N/A ASP 121.A N LEU 118.A O no hydrogen 3.087 N/A PHE 123.A N LEU 119.A O no hydrogen 2.892 N/A ASN 124.A N ASP 121.A O no hydrogen 3.074 N/A THR 125.A N LEU 120.A O no hydrogen 3.134 N/A THR 125.A OG1 LEU 120.A O no hydrogen 2.924 N/A GLN 126.A N CYS 96.A O no hydrogen 2.951 N/A GLU 128.A N ALA 98.A O no hydrogen 2.915 N/A CYS 130.A N LEU 100.A O no hydrogen 3.052 N/A CYS 130.A SG LEU 100.A O no hydrogen 3.940 N/A CYS 130.A SG ALA 132.A O no hydrogen 3.350 N/A LEU 133.A N GLU 101.A OE1 no hydrogen 2.930 N/A GLN 139.A N ASP 135.A O no hydrogen 3.062 N/A GLN 139.A NE2 ALA 132.A O no hydrogen 3.509 N/A GLN 139.A NE2 ASP 135.A O no hydrogen 3.218 N/A LEU 140.A N PRO 136.A O no hydrogen 2.747 N/A GLN 141.A N ASP 137.A O no hydrogen 3.118 N/A THR 142.A N ALA 138.A O no hydrogen 2.803 N/A THR 142.A OG1 ALA 138.A O no hydrogen 2.636 N/A LEU 143.A N GLN 139.A O no hydrogen 3.337 N/A ALA 144.A N LEU 140.A O no hydrogen 2.713 N/A THR 145.A N GLN 141.A O no hydrogen 2.986 N/A THR 145.A OG1 THR 142.A O no hydrogen 3.538 N/A ARG 146.A N THR 142.A O no hydrogen 3.354 N/A ARG 146.A NH1 GLU 128.A OE2 no hydrogen 2.684 N/A ARG 146.A NH2 GLU 128.A OE2 no hydrogen 3.385 N/A ILE 147.A N LEU 143.A O no hydrogen 3.080 N/A GLU 148.A N ALA 144.A O no hydrogen 2.752 N/A ALA 149.A N THR 145.A O no hydrogen 2.993 N/A GLN 150.A N ILE 147.A O no hydrogen 2.828 N/A GLY 151.A N GLU 148.A O no hydrogen 3.172 N/A ARG 153.A N ASP 69.A OD1 no hydrogen 3.142 N/A ARG 153.A NH1 GLU 66.A O no hydrogen 2.964 N/A TYR 155.A N THR 70.A O no hydrogen 2.799 N/A TYR 155.A OH ASP 62.A OD1 no hydrogen 2.807 N/A ILE 157.A N ILE 72.A O no hydrogen 2.877 N/A GLY 161.A N PRO 158.A O no hydrogen 3.275 N/A SER 162.A N VAL 159.A O no hydrogen 3.384 N/A SER 162.A OG SER 196.A O no hydrogen 3.005 N/A SER 162.A OG SER 196.A OG no hydrogen 2.961 N/A SER 163.A N GLY 161.A O no hydrogen 3.224 N/A GLY 166.A N SER 163.A OG no hydrogen 3.324 N/A ALA 167.A N SER 163.A O no hydrogen 3.032 N/A MET 168.A N LEU 165.A O no hydrogen 2.807 N/A GLY 169.A N GLY 166.A O no hydrogen 3.095 N/A TYR 170.A N ALA 167.A O no hydrogen 3.180 N/A TYR 170.A OH ASP 42.A OD2 no hydrogen 2.761 N/A VAL 171.A N ALA 167.A O no hydrogen 3.329 N/A GLU 172.A N MET 168.A O no hydrogen 2.961 N/A SER 173.A N GLY 169.A O no hydrogen 2.943 N/A ALA 174.A N TYR 170.A O no hydrogen 3.241 N/A LEU 175.A N GLU 172.A O no hydrogen 3.115 N/A ILE 177.A N SER 173.A O no hydrogen 3.036 N/A ALA 178.A N ALA 174.A O no hydrogen 3.018 N/A GLN 179.A N LEU 175.A O no hydrogen 2.968 N/A GLN 180.A N GLU 176.A O no hydrogen 2.727 N/A GLN 180.A NE2 THR 21.A O no hydrogen 3.147 N/A CYS 181.A N ILE 177.A O no hydrogen 2.999 N/A CYS 181.A SG ILE 177.A O no hydrogen 3.450 N/A GLU 182.A N GLN 179.A O no hydrogen 3.457 N/A VAL 185.A N CYS 181.A O no hydrogen 2.987 N/A SER 188.A N PRO 310.A O no hydrogen 3.008 N/A SER 188.A OG ASP 307.A OD1 no hydrogen 2.891 N/A SER 188.A OG ASP 307.A OD2 no hydrogen 3.014 N/A SER 189.A N PRO 310.A O no hydrogen 2.931 N/A SER 189.A OG GLU 215.A OE1 no hydrogen 3.137 N/A VAL 190.A N GLU 215.A O no hydrogen 2.793 N/A VAL 191.A N LEU 312.A O no hydrogen 2.850 N/A VAL 192.A N ILE 217.A O no hydrogen 3.081 N/A SER 194.A N VAL 219.A O no hydrogen 2.898 N/A SER 194.A OG HIS 200.A ND1 no hydrogen 2.655 N/A SER 196.A OG SER 162.A OG no hydrogen 2.961 N/A GLY 198.A N SER 162.A OG no hydrogen 2.914 N/A GLY 198.A N SER 196.A O no hydrogen 3.185 N/A HIS 200.A ND1 SER 194.A OG no hydrogen 2.655 N/A ALA 201.A N ALA 197.A O no hydrogen 2.907 N/A GLY 202.A N GLY 198.A O no hydrogen 2.837 N/A LEU 203.A N THR 199.A O no hydrogen 3.091 N/A ALA 204.A N HIS 200.A O no hydrogen 2.909 N/A VAL 205.A N ALA 201.A O no hydrogen 3.169 N/A GLY 206.A N GLY 202.A O no hydrogen 3.143 N/A LEU 207.A N LEU 203.A O no hydrogen 2.679 N/A GLU 208.A N ALA 204.A O no hydrogen 3.181 N/A HIS 209.A N VAL 205.A O no hydrogen 3.218 N/A HIS 209.A ND1 VAL 205.A O no hydrogen 3.342 N/A LEU 210.A N GLY 206.A O no hydrogen 2.752 N/A MET 211.A N LEU 207.A O no hydrogen 3.012 N/A VAL 214.A N MET 211.A O no hydrogen 3.063 N/A GLU 215.A N SER 188.A O no hydrogen 3.026 N/A ILE 217.A N VAL 190.A O no hydrogen 2.737 N/A GLY 218.A N HIS 252.A O no hydrogen 3.133 N/A VAL 219.A N VAL 192.A O no hydrogen 3.102 N/A THR 220.A N TRP 254.A O no hydrogen 3.110 N/A THR 220.A OG1 ARG 223.A O no hydrogen 3.244 N/A THR 220.A OG1 TRP 254.A O no hydrogen 3.147 N/A VAL 221.A N SER 194.A O no hydrogen 3.322 N/A ARG 223.A NH1 GLY 195.A O no hydrogen 3.137 N/A VAL 225.A N ASP 255.A OD2 no hydrogen 3.204 N/A GLN 228.A N SER 224.A O no hydrogen 2.817 N/A GLN 228.A NE2 SER 194.A OG no hydrogen 2.953 N/A GLN 228.A NE2 GLY 195.A O no hydrogen 3.379 N/A LYS 229.A N VAL 225.A O no hydrogen 3.021 N/A LYS 231.A N GLN 228.A O no hydrogen 2.782 N/A VAL 232.A N GLN 228.A O no hydrogen 3.265 N/A ILE 233.A N LYS 229.A O no hydrogen 2.938 N/A ALA 234.A N PRO 230.A O no hydrogen 2.983 N/A LEU 235.A N LYS 231.A O no hydrogen 3.453 N/A GLN 236.A N VAL 232.A O no hydrogen 2.932 N/A GLN 236.A NE2 ALA 249.A O no hydrogen 3.670 N/A GLN 237.A N ILE 233.A O no hydrogen 3.142 N/A GLN 237.A NE2 ALA 247.A O no hydrogen 3.009 N/A ALA 238.A N ALA 234.A O no hydrogen 3.026 N/A ILE 239.A N LEU 235.A O no hydrogen 2.683 N/A ALA 240.A N GLN 236.A O no hydrogen 2.846 N/A GLY 241.A N GLN 237.A O no hydrogen 2.742 N/A GLN 242.A N ALA 238.A O no hydrogen 3.035 N/A LEU 243.A N ILE 239.A O no hydrogen 2.983 N/A LEU 243.A N ALA 240.A O no hydrogen 3.187 N/A ALA 244.A N GLY 241.A O no hydrogen 2.912 N/A LEU 245.A N ALA 240.A O no hydrogen 2.862 N/A THR 248.A N GLU 208.A OE2 no hydrogen 2.860 N/A THR 248.A OG1 GLU 208.A OE2 no hydrogen 3.117 N/A ALA 249.A N GLU 208.A OE1 no hydrogen 2.847 N/A TRP 254.A N GLY 218.A O no hydrogen 2.962 N/A TYR 257.A OH ASP 298.A OD2 no hydrogen 2.870 N/A GLY 261.A N PHE 258.A O no hydrogen 3.117 N/A TYR 262.A OH TYR 288.A OH no hydrogen 3.052 N/A VAL 264.A N GLY 261.A O no hydrogen 3.191 N/A ASN 266.A ND2 TYR 257.A O no hydrogen 2.955 N/A GLY 269.A N ASN 266.A O no hydrogen 3.254 N/A MET 270.A N ASN 266.A O no hydrogen 3.156 N/A GLU 271.A N ASP 267.A O no hydrogen 2.843 N/A ALA 272.A N GLY 269.A O no hydrogen 2.887 N/A VAL 273.A N MET 270.A O no hydrogen 2.854 N/A LYS 274.A N MET 270.A O no hydrogen 2.932 N/A LEU 275.A N GLU 271.A O no hydrogen 3.012 N/A LEU 276.A N ALA 272.A O no hydrogen 3.096 N/A ALA 277.A N VAL 273.A O no hydrogen 3.020 N/A SER 278.A N LYS 274.A O no hydrogen 3.026 N/A SER 278.A OG LYS 274.A O no hydrogen 3.072 N/A SER 278.A OG LEU 275.A O no hydrogen 3.442 N/A LEU 279.A N LEU 275.A O no hydrogen 2.964 N/A GLU 280.A N LEU 276.A O no hydrogen 3.030 N/A GLY 281.A N ALA 277.A O no hydrogen 2.947 N/A VAL 282.A N LEU 276.A O no hydrogen 3.243 N/A ASP 285.A N THR 289.A OG1 no hydrogen 2.905 N/A TYR 288.A N ASP 285.A OD1 no hydrogen 3.026 N/A TYR 288.A OH TYR 262.A OH no hydrogen 3.052 N/A THR 289.A N ASP 285.A OD1 no hydrogen 2.791 N/A THR 289.A OG1 ASP 285.A OD1 no hydrogen 2.572 N/A THR 289.A OG1 GLY 317.A O no hydrogen 3.073 N/A GLY 290.A N ASP 285.A O no hydrogen 2.890 N/A LYS 291.A NZ PHE 258.A O no hydrogen 3.527 N/A LYS 291.A NZ GLY 261.A O no hydrogen 3.137 N/A LYS 291.A NZ VAL 264.A O no hydrogen 2.829 N/A ALA 292.A N TYR 288.A O no hydrogen 3.044 N/A MET 293.A N THR 289.A O no hydrogen 2.777 N/A ALA 294.A N GLY 290.A O no hydrogen 2.744 N/A GLY 295.A N LYS 291.A O no hydrogen 2.911 N/A LEU 296.A N ALA 292.A O no hydrogen 2.899 N/A ILE 297.A N MET 293.A O no hydrogen 2.903 N/A ASP 298.A N ALA 294.A O no hydrogen 3.086 N/A GLY 299.A N GLY 295.A O no hydrogen 2.748 N/A ILE 300.A N LEU 296.A O no hydrogen 3.283 N/A SER 301.A N ILE 297.A O no hydrogen 3.125 N/A GLN 302.A N ASP 298.A O no hydrogen 2.952 N/A GLN 302.A N GLY 299.A O no hydrogen 3.045 N/A LYS 303.A N ILE 300.A O no hydrogen 3.155 N/A ARG 304.A N GLY 299.A O no hydrogen 3.053 N/A ASN 306.A N GLU 215.A OE1 no hydrogen 2.747 N/A GLY 309.A N ASP 307.A OD2 no hydrogen 3.113 N/A ILE 311.A N GLU 36.A O no hydrogen 3.000 N/A LEU 312.A N SER 189.A O no hydrogen 2.686 N/A PHE 313.A N TYR 38.A O no hydrogen 2.688 N/A ILE 314.A N VAL 191.A O no hydrogen 2.961 N/A HIS 315.A N LYS 40.A O no hydrogen 2.802 N/A ALA 321.A N GLY 318.A O no hydrogen 2.971 N/A LEU 322.A N ALA 319.A O no hydrogen 2.826 N/A PHE 323.A N PRO 320.A O no hydrogen 3.165 N/A ALA 324.A N ALA 321.A O no hydrogen 2.944 N/A TYR 325.A N ALA 321.A O no hydrogen 2.843 N/A TYR 325.A OH GLY 263.A O no hydrogen 2.700 N/A