Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r4i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLU 6.A OE2 no hydrogen 2.889 N/A GLU 6.A N THR 3.A O no hydrogen 2.982 N/A VAL 7.A N PRO 4.A O no hydrogen 3.152 N/A LEU 8.A N PRO 4.A O no hydrogen 2.965 N/A HIS 19.A N ASP 41.A O no hydrogen 2.835 N/A HIS 19.A ND1 SER 240.A OG no hydrogen 2.854 N/A TYR 20.A N SER 240.A O no hydrogen 2.804 N/A ALA 21.A N THR 43.A O no hydrogen 3.042 N/A LYS 28.A N LYS 25.A O no hydrogen 3.014 N/A SER 29.A N LEU 26.A O no hydrogen 2.841 N/A SER 29.A OG HIS 19.A NE2 no hydrogen 2.939 N/A SER 29.A OG LEU 26.A O no hydrogen 2.735 N/A ALA 31.A N LEU 27.A O no hydrogen 2.999 N/A LEU 32.A N LYS 28.A O no hydrogen 2.913 N/A GLN 33.A N SER 29.A O no hydrogen 2.869 N/A GLN 33.A NE2 PHE 40.A O no hydrogen 2.826 N/A GLN 33.A NE2 ARG 75.A O no hydrogen 3.251 N/A GLN 34.A N LEU 30.A O no hydrogen 3.093 N/A GLN 35.A N ALA 31.A O no hydrogen 3.140 N/A LEU 36.A N LEU 32.A O no hydrogen 2.879 N/A VAL 39.A N GLY 37.A O no hydrogen 2.841 N/A ASP 41.A N CYS 17.A O no hydrogen 2.767 N/A ILE 42.A N ARG 75.A O no hydrogen 3.213 N/A THR 43.A N HIS 19.A O no hydrogen 2.817 N/A THR 43.A OG1 ASP 18.A OD1 no hydrogen 2.562 N/A THR 43.A OG1 ASP 18.A OD2 no hydrogen 3.454 N/A THR 43.A OG1 TYR 105.A OH no hydrogen 2.586 N/A LEU 44.A N GLY 77.A O no hydrogen 2.921 N/A ASP 45.A N ALA 21.A O no hydrogen 2.857 N/A CYS 46.A N ARG 79.A O no hydrogen 2.845 N/A GLU 47.A N ASP 45.A OD1 no hydrogen 2.909 N/A ASP 48.A N GLU 47.A OE1 no hydrogen 3.284 N/A GLY 49.A N ASP 45.A OD2 no hydrogen 2.750 N/A ALA 50.A N GLU 47.A O no hydrogen 2.936 N/A GLY 53.A N GLU 55.A OE2 no hydrogen 2.978 N/A GLU 55.A N GLU 55.A OE1 no hydrogen 2.691 N/A HIS 58.A N ARG 54.A O no hydrogen 2.821 N/A HIS 58.A NE2 ASP 45.A O no hydrogen 2.833 N/A ALA 59.A N GLU 55.A O no hydrogen 3.180 N/A GLU 60.A N ALA 56.A O no hydrogen 3.234 N/A LEU 61.A N GLN 57.A O no hydrogen 3.032 N/A VAL 62.A N HIS 58.A O no hydrogen 2.945 N/A ALA 63.A N ALA 59.A O no hydrogen 2.863 N/A SER 64.A N GLU 60.A O no hydrogen 2.877 N/A SER 64.A N LEU 61.A O no hydrogen 3.124 N/A SER 64.A OG LEU 61.A O no hydrogen 2.716 N/A LEU 65.A N VAL 62.A O no hydrogen 3.116 N/A LEU 66.A N VAL 62.A O no hydrogen 3.369 N/A GLY 67.A N ASP 71.A OD2 no hydrogen 2.893 N/A SER 68.A N LEU 65.A O no hydrogen 3.126 N/A SER 68.A OG LEU 65.A O no hydrogen 2.558 N/A ASP 71.A N SER 68.A O no hydrogen 3.182 N/A GLY 74.A N ASP 71.A OD1 no hydrogen 2.938 N/A ARG 75.A NE ASP 41.A OD1 no hydrogen 2.810 N/A ARG 75.A NH2 ASP 41.A OD1 no hydrogen 3.308 N/A ARG 75.A NH2 ASP 41.A OD2 no hydrogen 2.688 N/A GLY 77.A N ILE 42.A O no hydrogen 2.723 N/A VAL 78.A N TYR 105.A O no hydrogen 2.995 N/A ARG 79.A N LEU 44.A O no hydrogen 3.098 N/A ARG 79.A NE ASP 45.A OD1 no hydrogen 2.881 N/A ARG 79.A NH2 ASP 45.A OD2 no hydrogen 2.807 N/A ILE 80.A N THR 107.A O no hydrogen 3.225 N/A HIS 81.A N ASP 91.A OD2 no hydrogen 3.085 N/A HIS 81.A ND1 ASP 91.A OD2 no hydrogen 2.594 N/A ASP 84.A N ASP 82.A OD2 no hydrogen 3.249 N/A HIS 85.A N ASP 82.A O no hydrogen 2.978 N/A HIS 87.A N HIS 85.A ND1 no hydrogen 2.826 N/A HIS 87.A ND1 ASP 91.A OD1 no hydrogen 2.934 N/A ASP 91.A N HIS 87.A O no hydrogen 2.822 N/A VAL 92.A N TRP 88.A O no hydrogen 3.257 N/A ARG 93.A N ARG 89.A O no hydrogen 2.973 N/A ARG 93.A NH2 ASP 90.A OD1 no hydrogen 3.274 N/A LEU 94.A N ASP 90.A O no hydrogen 2.904 N/A ILE 95.A N ASP 91.A O no hydrogen 3.008 N/A LEU 96.A N VAL 92.A O no hydrogen 2.921 N/A ARG 97.A N ARG 93.A O no hydrogen 2.981 N/A ALA 98.A N LEU 94.A O no hydrogen 3.258 N/A ALA 99.A N ILE 95.A O no hydrogen 3.024 N/A ALA 104.A N VAL 76.A O no hydrogen 2.935 N/A TYR 105.A OH ASP 18.A OD1 no hydrogen 3.348 N/A TYR 105.A OH THR 43.A OG1 no hydrogen 2.586 N/A ILE 106.A N PRO 137.A O no hydrogen 2.813 N/A THR 107.A N VAL 78.A O no hydrogen 2.752 N/A THR 107.A OG1 VAL 78.A O no hydrogen 3.217 N/A LEU 108.A N GLN 139.A O no hydrogen 2.797 N/A LYS 110.A N GLU 143.A OE2 no hydrogen 2.730 N/A LYS 110.A NZ GLU 47.A OE2 no hydrogen 2.753 N/A LYS 110.A NZ ASP 48.A OD2 no hydrogen 2.834 N/A LYS 110.A NZ ASP 168.A OD2 no hydrogen 3.007 N/A HIS 113.A ND1.A ASP 116.A OD2 no hydrogen 3.002 N/A HIS 113.A ND1.B ARG 112.A O no hydrogen 2.599 N/A ALA 117.A N HIS 113.A O no hydrogen 3.390 N/A ALA 118.A N VAL 114.A O no hydrogen 3.100 N/A GLU 119.A N HIS 115.A O no hydrogen 2.938 N/A ALA 121.A N ALA 118.A O no hydrogen 2.875 N/A PHE 122.A N GLU 119.A O no hydrogen 2.937 N/A GLU 124.A N VAL 120.A O no hydrogen 3.082 N/A ALA 125.A N ALA 121.A O no hydrogen 2.959 N/A THR 126.A N PHE 122.A O no hydrogen 2.906 N/A THR 126.A OG1 PHE 122.A O no hydrogen 2.777 N/A ARG 127.A N ILE 123.A O no hydrogen 3.004 N/A ARG 127.A NE GLU 124.A OE1 no hydrogen 2.937 N/A ARG 127.A NH1 ILE 132.A O no hydrogen 2.858 N/A ARG 127.A NH2 GLU 124.A OE1 no hydrogen 3.395 N/A ARG 127.A NH2 GLU 124.A OE2 no hydrogen 2.787 N/A ARG 128.A N GLU 124.A O no hydrogen 2.881 N/A GLU 129.A N ALA 125.A O no hydrogen 2.969 N/A LEU 130.A N THR 126.A O no hydrogen 3.071 N/A GLY 131.A N ARG 128.A O no hydrogen 3.117 N/A ILE 132.A N ARG 127.A O no hydrogen 2.883 N/A VAL 138.A N GLY 159.A O no hydrogen 3.021 N/A GLN 139.A N ILE 106.A O no hydrogen 2.915 N/A GLN 139.A NE2 GLU 161.A OE2 no hydrogen 2.797 N/A LEU 140.A N ALA 162.A O no hydrogen 3.112 N/A LEU 141.A N LEU 108.A O no hydrogen 2.898 N/A VAL 142.A N SER 164.A O no hydrogen 2.734 N/A HIS 145.A NE2 ALA 172.A O no hydrogen 2.967 N/A ALA 147.A N THR 144.A OG1 no hydrogen 2.935 N/A LEU 148.A N THR 144.A O no hydrogen 3.155 N/A THR 149.A N HIS 145.A O no hydrogen 2.966 N/A THR 149.A OG1 HIS 145.A O no hydrogen 2.920 N/A ARG 150.A N GLY 146.A O no hydrogen 3.344 N/A VAL 151.A N LEU 148.A O no hydrogen 3.216 N/A LEU 154.A N ARG 150.A O no hydrogen 2.960 N/A ALA 155.A N VAL 151.A O no hydrogen 2.936 N/A ALA 156.A N PHE 152.A O no hydrogen 3.197 N/A LEU 157.A N LEU 154.A O no hydrogen 3.094 N/A VAL 160.A N LEU 157.A O no hydrogen 3.373 N/A GLU 161.A N VAL 138.A O no hydrogen 2.854 N/A LEU 163.A N VAL 209.A O no hydrogen 3.017 N/A SER 164.A N LEU 140.A O no hydrogen 2.853 N/A PHE 165.A N SER 211.A O no hydrogen 3.101 N/A GLY 166.A N VAL 142.A O no hydrogen 3.251 N/A PHE 169.A N GLY 166.A O no hydrogen 2.905 N/A VAL 170.A N LEU 167.A O no hydrogen 2.931 N/A ALA 172.A N ASP 168.A O no hydrogen 2.864 N/A HIS 173.A N VAL 170.A O no hydrogen 3.025 N/A HIS 173.A ND1 PHE 169.A O no hydrogen 2.746 N/A ASP 174.A N SER 171.A O no hydrogen 3.012 N/A ALA 176.A N HIS 173.A O no hydrogen 2.974 N/A ALA 181.A N PRO 178.A O no hydrogen 3.040 N/A SER 183.A OG ASP 226.A OD1 no hydrogen 2.746 N/A SER 183.A OG ASP 226.A OD2 no hydrogen 3.191 N/A GLN 186.A N ARG 182.A O no hydrogen 2.806 N/A GLN 186.A NE2 SER 183.A OG no hydrogen 2.868 N/A PHE 187.A N PRO 184.A O no hydrogen 2.815 N/A ASP 188.A N PRO 184.A O no hydrogen 2.901 N/A HIS 189.A N GLY 185.A O no hydrogen 2.833 N/A LEU 191.A N HIS 189.A ND1 no hydrogen 3.309 N/A ARG 193.A N HIS 189.A O no hydrogen 2.861 N/A ARG 193.A NH1 PHE 187.A O no hydrogen 2.582 N/A ARG 194.A N PRO 190.A O no hydrogen 2.961 N/A ALA 195.A N LEU 191.A O no hydrogen 3.086 N/A LYS 196.A N VAL 192.A O no hydrogen 3.015 N/A LYS 196.A NZ GLN 186.A O no hydrogen 2.815 N/A LYS 196.A NZ GLN 186.A OE1 no hydrogen 2.742 N/A LYS 196.A NZ HIS 212.A NE2 no hydrogen 2.825 N/A LEU 197.A N ARG 193.A O no hydrogen 3.196 N/A GLU 198.A N ARG 194.A O no hydrogen 3.112 N/A ILE 199.A N ALA 195.A O no hydrogen 3.148 N/A SER 200.A N LYS 196.A O no hydrogen 3.030 N/A SER 200.A OG PHE 234.A O no hydrogen 2.671 N/A ALA 201.A N LEU 197.A O no hydrogen 2.826 N/A ALA 202.A N GLU 198.A O no hydrogen 2.967 N/A CYS 203.A N ILE 199.A O no hydrogen 2.998 N/A CYS 203.A SG ILE 199.A O no hydrogen 3.496 N/A HIS 204.A N SER 200.A O no hydrogen 3.058 N/A HIS 204.A NE2 GLY 235.A O no hydrogen 2.795 N/A ALA 205.A N ALA 201.A O no hydrogen 2.984 N/A TYR 206.A N ALA 202.A O no hydrogen 3.277 N/A TYR 206.A N CYS 203.A O no hydrogen 3.200 N/A GLY 207.A N HIS 204.A O no hydrogen 3.433 N/A LYS 208.A N CYS 203.A O no hydrogen 2.826 N/A LYS 208.A NZ ALA 155.A O no hydrogen 2.652 N/A LYS 208.A NZ LEU 157.A O no hydrogen 2.980 N/A LYS 208.A NZ VAL 160.A O no hydrogen 2.856 N/A VAL 209.A N GLU 161.A O no hydrogen 2.978 N/A SER 211.A N LEU 163.A O no hydrogen 2.804 N/A HIS 212.A N ARG 238.A O no hydrogen 2.796 N/A HIS 212.A ND1 ASN 213.A O no hydrogen 2.963 N/A ASN 213.A ND2 GLN 186.A OE1 no hydrogen 2.999 N/A ASN 213.A ND2 VAL 214.A O no hydrogen 3.127 N/A SER 215.A OG ASP 226.A OD2 no hydrogen 3.107 N/A ARG 219.A N GLU 217.A OE2 no hydrogen 3.186 N/A ASP 220.A N GLU 217.A OE2 no hydrogen 2.811 N/A VAL 222.A N ASP 220.A O no hydrogen 3.164 N/A VAL 223.A N ASP 220.A O no hydrogen 3.498 N/A ASN 225.A N SER 221.A O no hydrogen 3.195 N/A ASP 226.A N VAL 222.A O no hydrogen 2.888 N/A ALA 227.A N VAL 223.A O no hydrogen 3.166 N/A ALA 228.A N ALA 224.A O no hydrogen 3.241 N/A ARG 229.A N ASN 225.A O no hydrogen 3.026 N/A ARG 229.A NE GLU 233.A OE1 no hydrogen 3.276 N/A ARG 229.A NE GLU 233.A OE2 no hydrogen 3.371 N/A ARG 229.A NH2 ASP 188.A OD1 no hydrogen 2.888 N/A ARG 229.A NH2 GLU 233.A OE1 no hydrogen 3.403 N/A ALA 230.A N ASP 226.A O no hydrogen 2.902 N/A ARG 231.A N ALA 227.A O no hydrogen 3.069 N/A ARG 231.A NH1 ALA 252.A O no hydrogen 2.902 N/A ARG 231.A NH1 ALA 254.A O no hydrogen 2.711 N/A ARG 231.A NH2 ALA 254.A O no hydrogen 3.334 N/A ASN 232.A N ALA 228.A O no hydrogen 2.799 N/A GLU 233.A N ARG 229.A O no hydrogen 2.923 N/A PHE 234.A N ARG 229.A O no hydrogen 3.127 N/A TYR 236.A N ALA 230.A O no hydrogen 2.914 N/A TYR 236.A OH LYS 196.A O no hydrogen 2.652 N/A THR 237.A N PRO 210.A O no hydrogen 3.187 N/A ARG 238.A NH1 PRO 15.A O no hydrogen 2.928 N/A ARG 238.A NH1 ASP 41.A OD2 no hydrogen 2.810 N/A ARG 238.A NH2 ASP 41.A OD2 no hydrogen 3.174 N/A TRP 239.A NE1 SER 164.A OG no hydrogen 3.005 N/A SER 240.A N ASP 18.A O no hydrogen 2.890 N/A SER 240.A OG HIS 19.A ND1 no hydrogen 2.854 N/A SER 240.A OG HIS 242.A O no hydrogen 3.159 N/A ILE 241.A N GLN 245.A OE1 no hydrogen 2.901 N/A ALA 244.A N HIS 242.A ND1 no hydrogen 2.943 N/A GLN 245.A N HIS 242.A O no hydrogen 2.780 N/A GLN 245.A NE2 SER 215.A O no hydrogen 2.836 N/A GLN 245.A NE2 GLU 217.A O no hydrogen 2.955 N/A ILE 246.A N PRO 243.A O no hydrogen 3.416 N/A GLU 247.A N GLU 247.A OE1.A no hydrogen 2.855 N/A ILE 249.A N GLN 245.A O no hydrogen 2.998 N/A VAL 250.A N ILE 246.A O no hydrogen 2.962 N/A ALA 251.A N GLU 247.A O no hydrogen 3.009 N/A ALA 252.A N ALA 248.A O no hydrogen 3.108 N/A PHE 253.A N ILE 249.A O no hydrogen 3.278 N/A PHE 253.A N VAL 250.A O no hydrogen 3.304 N/A ALA 254.A N ALA 251.A O no hydrogen 3.058 N/A GLU 259.A N ARG 256.A O no hydrogen 3.165 N/A ILE 260.A N ASP 257.A O no hydrogen 3.222 N/A ALA 263.A N GLU 259.A O no hydrogen 3.022 N/A THR 264.A N ILE 260.A O no hydrogen 3.020 N/A THR 264.A OG1 ILE 260.A O no hydrogen 2.862 N/A GLU 265.A N THR 261.A O no hydrogen 2.973 N/A ILE 266.A N THR 262.A O no hydrogen 3.037 N/A LEU 267.A N ALA 263.A O no hydrogen 2.948 N/A LEU 268.A N THR 264.A O no hydrogen 2.892 N/A ALA 269.A N GLU 265.A O no hydrogen 3.211 N/A ALA 270.A N ILE 266.A O no hydrogen 2.916 N/A GLN 271.A N LEU 267.A O no hydrogen 2.826 N/A GLN 271.A NE2 LEU 2.A O no hydrogen 3.042 N/A GLN 271.A NE2 PRO 313.A O no hydrogen 2.797 N/A SER 272.A N LEU 268.A O no hydrogen 3.210 N/A SER 272.A OG LEU 268.A O no hydrogen 3.310 N/A ALA 273.A N ALA 269.A O no hydrogen 3.173 N/A ALA 273.A N ALA 270.A O no hydrogen 2.972 N/A GLN 274.A N GLN 271.A O no hydrogen 3.153 N/A TRP 275.A N ALA 270.A O no hydrogen 2.817 N/A TRP 275.A NE1 LEU 2.A O no hydrogen 2.919 N/A GLY 276.A N ALA 273.A O no hydrogen 3.147 N/A THR 278.A N HIS 285.A O no hydrogen 2.724 N/A THR 278.A OG1 TYR 290.A OH no hydrogen 2.658 N/A ARG 279.A NE HIS 281.A O.B no hydrogen 3.163 N/A ARG 279.A NH2 ASP 282.A OD1 no hydrogen 2.884 N/A TYR 280.A N THR 283.A O no hydrogen 2.916 N/A TYR 280.A OH GLU 265.A OE1 no hydrogen 2.622 N/A THR 283.A N TYR 280.A O no hydrogen 2.964 N/A THR 283.A OG1 HIS 281.A O.A no hydrogen 3.244 N/A HIS 285.A N THR 278.A O no hydrogen 2.814 N/A HIS 285.A ND1 SER 289.A OG no hydrogen 2.915 N/A ARG 287.A NH1 TRP 275.A O no hydrogen 2.823 N/A ALA 288.A N ASP 286.A OD1 no hydrogen 2.981 N/A SER 289.A N ASP 286.A O no hydrogen 3.009 N/A SER 289.A OG HIS 285.A ND1 no hydrogen 2.915 N/A SER 289.A OG ASP 286.A O no hydrogen 3.161 N/A TYR 290.A N ASP 286.A O no hydrogen 3.007 N/A TYR 290.A OH GLY 276.A O no hydrogen 2.871 N/A TYR 290.A OH THR 278.A OG1 no hydrogen 2.658 N/A ARG 291.A N ARG 287.A O no hydrogen 3.206 N/A ARG 291.A NE PHE 9.A O no hydrogen 3.000 N/A TYR 292.A OH GLU 259.A OE1 no hydrogen 2.679 N/A TYR 293.A N SER 289.A O no hydrogen 3.403 N/A TRP 294.A N TYR 290.A O no hydrogen 2.869 N/A SER 295.A N ARG 291.A O no hydrogen 2.842 N/A VAL 296.A N TYR 292.A O no hydrogen 2.983 N/A LEU 297.A N TYR 293.A O no hydrogen 3.083 N/A ARG 298.A N TRP 294.A O no hydrogen 2.823 N/A ARG 299.A N SER 295.A O no hydrogen 3.130 N/A ALA 300.A N VAL 296.A O no hydrogen 3.203 N/A GLN 301.A N LEU 297.A O no hydrogen 2.975 N/A ALA 302.A N ARG 298.A O no hydrogen 3.012 N/A THR 303.A N ARG 299.A O no hydrogen 2.985 N/A THR 303.A OG1 ARG 299.A O no hydrogen 2.703 N/A THR 303.A OG1 ALA 300.A O no hydrogen 3.351 N/A GLY 304.A N GLN 301.A O no hydrogen 3.074 N/A ARG 305.A N ALA 300.A O no hydrogen 2.660 N/A ALA 311.A N PRO 308.A O no hydrogen 2.930 N/A ALA 312.A N GLN 309.A O no hydrogen 3.203 N/A LEU 314.A N ALA 311.A O no hydrogen 2.855 N/A PHE 315.A N ALA 312.A O no hydrogen 3.032 N/A