Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4o4i_F.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A N GLN 26.A O no hydrogen 2.994 N/A TYR 2.A OH PRO 341.A O no hydrogen 2.656 N/A THR 3.A N ASN 38.A OD1 no hydrogen 3.272 N/A THR 3.A OG1 ARG 36.A O no hydrogen 3.216 N/A THR 3.A OG1 ASN 38.A OD1 no hydrogen 3.550 N/A PHE 4.A N LYS 28.A O no hydrogen 3.121 N/A VAL 5.A N LEU 39.A O no hydrogen 3.131 N/A ARG 7.A N LEU 41.A O no hydrogen 2.807 N/A ARG 7.A NE GLU 43.A OE2 no hydrogen 2.580 N/A ARG 7.A NH1 LYS 32.A O no hydrogen 3.262 N/A ARG 7.A NH2 GLU 43.A OE1 no hydrogen 2.793 N/A ARG 7.A NH2 GLU 43.A OE2 no hydrogen 3.417 N/A ASN 10.A N ASP 8.A OD1 no hydrogen 3.240 N/A SER 12.A OG TYR 324.A OH no hydrogen 2.393 N/A TYR 14.A N SER 11.A OG no hydrogen 3.093 N/A ALA 15.A N SER 11.A O no hydrogen 3.288 N/A VAL 17.A N VAL 13.A O no hydrogen 3.060 N/A SER 18.A N TYR 14.A O no hydrogen 2.489 N/A ARG 19.A N ALA 15.A O no hydrogen 2.914 N/A ARG 19.A NE GLU 16.A OE1 no hydrogen 3.172 N/A ARG 19.A NE GLU 16.A OE2 no hydrogen 3.303 N/A ARG 19.A NH2 GLU 16.A OE2 no hydrogen 3.393 N/A LEU 20.A N GLU 16.A O no hydrogen 2.963 N/A LEU 21.A N VAL 17.A O no hydrogen 2.955 N/A LEU 22.A N SER 18.A O no hydrogen 3.172 N/A ALA 23.A N ARG 19.A O no hydrogen 3.247 N/A THR 24.A N LEU 21.A O no hydrogen 3.309 N/A THR 24.A OG1 LEU 21.A O no hydrogen 1.985 N/A GLY 25.A N LEU 22.A O no hydrogen 2.797 N/A GLN 26.A NE2 THR 24.A O no hydrogen 3.518 N/A LYS 28.A N TYR 2.A O no hydrogen 2.892 N/A LYS 28.A NZ ARG 29.A O no hydrogen 3.304 N/A ARG 29.A NH2 GLU 9.A OE2 no hydrogen 3.207 N/A LEU 30.A N PHE 4.A O no hydrogen 2.839 N/A ASN 34.A N ARG 31.A O no hydrogen 3.077 N/A ARG 36.A N ASN 34.A OD1 no hydrogen 3.002 N/A ASN 38.A N THR 3.A O no hydrogen 3.011 N/A ASN 38.A N THR 3.A OG1 no hydrogen 3.292 N/A ASN 38.A ND2 VAL 59.A O no hydrogen 3.209 N/A LEU 39.A N THR 3.A O no hydrogen 3.148 N/A MET 40.A N LEU 61.A O no hydrogen 2.730 N/A LEU 41.A N VAL 5.A O no hydrogen 3.157 N/A GLY 42.A N ASN 63.A OD1 no hydrogen 2.887 N/A GLU 43.A N GLU 43.A OE2 no hydrogen 2.929 N/A ARG 44.A NH2 ASN 10.A O no hydrogen 3.456 N/A PHE 49.A N LEU 47.A O no hydrogen 2.748 N/A ARG 51.A N PRO 48.A O no hydrogen 2.898 N/A LEU 52.A N PHE 49.A O no hydrogen 3.079 N/A GLY 53.A N GLN 60.A OE1 no hydrogen 2.817 N/A LEU 58.A N GLU 55.A O no hydrogen 3.042 N/A GLN 60.A NE2 PRO 35.A O no hydrogen 3.479 N/A GLN 60.A NE2 PHE 37.A O no hydrogen 3.045 N/A LEU 61.A N ASN 38.A O no hydrogen 2.856 N/A VAL 62.A N GLN 291.A O no hydrogen 2.994 N/A ASN 63.A N MET 40.A O no hydrogen 3.205 N/A TYR 65.A N GLN 294.A OE1 no hydrogen 2.883 N/A TYR 65.A OH ASP 189.A O no hydrogen 2.472 N/A ALA 68.A N TYR 65.A O no hydrogen 2.970 N/A LYS 70.A N GLY 67.A O no hydrogen 3.060 N/A LEU 71.A N ALA 68.A O no hydrogen 3.145 N/A CYS 72.A N ASP 69.A O no hydrogen 3.118 N/A CYS 72.A SG ALA 68.A O no hydrogen 3.286 N/A ARG 73.A N ASP 69.A O no hydrogen 3.126 N/A LYS 74.A N SER 133.A OG no hydrogen 3.184 N/A LYS 74.A NZ GLU 312.A OE2 no hydrogen 2.018 N/A SER 76.A OG.B ASP 69.A O no hydrogen 3.163 N/A SER 76.A OG.B LYS 70.A O no hydrogen 2.815 N/A SER 76.A OG.B ARG 73.A O no hydrogen 2.769 N/A LEU 77.A N ARG 73.A O no hydrogen 2.951 N/A VAL 78.A N LYS 74.A O no hydrogen 3.220 N/A LYS 79.A N ALA 75.A O no hydrogen 3.068 N/A LEU 80.A N SER 76.A O no hydrogen 2.716 N/A ILE 81.A N LEU 77.A O no hydrogen 2.922 N/A LYS 82.A N VAL 78.A O no hydrogen 3.004 N/A LYS 82.A NZ SER 97.A O no hydrogen 2.981 N/A LYS 82.A NZ GLU 108.A OE1 no hydrogen 3.050 N/A LYS 82.A NZ GLU 108.A OE2 no hydrogen 2.996 N/A THR 83.A N LYS 79.A O no hydrogen 3.002 N/A THR 83.A OG1 LYS 79.A O no hydrogen 2.688 N/A SER 84.A OG LEU 80.A O no hydrogen 3.030 N/A LEU 87.A N SER 84.A O no hydrogen 2.743 N/A SER 88.A N SER 84.A O no hydrogen 2.593 N/A SER 88.A OG LEU 87.A O no hydrogen 2.758 N/A SER 88.A OG SER 90.A OG no hydrogen 2.951 N/A SER 90.A N SER 88.A OG no hydrogen 3.154 N/A SER 90.A OG SER 88.A OG no hydrogen 2.951 N/A CYS 91.A N SER 88.A O no hydrogen 3.059 N/A SER 97.A OG PRO 95.A O no hydrogen 2.942 N/A TYR 98.A N ILE 163.A O no hydrogen 2.689 N/A TYR 98.A OH GLU 96.A OE1 no hydrogen 2.672 N/A VAL 99.A N GLU 108.A OE1 no hydrogen 2.783 N/A ILE 100.A N HIS 161.A O no hydrogen 2.862 N/A TYR 101.A N ASP 107.A OD2 no hydrogen 2.788 N/A THR 103.A N ASP 155.A OD1 no hydrogen 3.367 N/A GLU 108.A N VAL 99.A O no hydrogen 3.009 N/A ARG 109.A NH2 ASP 155.A OD2 no hydrogen 3.028 N/A PHE 112.A N GLU 108.A O no hydrogen 3.207 N/A LEU 113.A N ARG 109.A O no hydrogen 3.050 N/A ALA 114.A N GLU 110.A O no hydrogen 3.103 N/A ALA 115.A N VAL 111.A O no hydrogen 3.282 N/A TYR 116.A N PHE 112.A O no hydrogen 2.833 N/A TYR 116.A OH SER 145.A O no hydrogen 2.423 N/A ASN 117.A N LEU 113.A O no hydrogen 2.958 N/A ARG 119.A N ALA 115.A O no hydrogen 3.118 N/A ARG 120.A N TYR 116.A O no hydrogen 3.124 N/A ARG 120.A NH1 GLU 146.A OE1 no hydrogen 3.415 N/A GLU 121.A N ASN 117.A O no hydrogen 3.091 N/A GLY 122.A N ARG 118.A O no hydrogen 3.156 N/A ARG 123.A N ARG 120.A O no hydrogen 3.439 N/A ARG 123.A NH2 ARG 120.A O no hydrogen 3.159 N/A GLU 124.A N ARG 119.A O no hydrogen 3.124 N/A ASN 126.A ND2 TYR 116.A O no hydrogen 2.868 N/A VAL 127.A N GLU 168.A OE2 no hydrogen 3.015 N/A TRP 128.A N SER 144.A O no hydrogen 2.815 N/A TRP 128.A NE1 ASN 126.A OD1 no hydrogen 2.807 N/A ILE 129.A N GLN 164.A O no hydrogen 2.812 N/A ALA 130.A N LEU 142.A O no hydrogen 3.058 N/A LYS 131.A N VAL 162.A O no hydrogen 3.182 N/A LYS 131.A NZ GLN 164.A OE1 no hydrogen 2.462 N/A ALA 134.A N SER 132.A OG no hydrogen 3.309 N/A GLU 139.A N ALA 136.A O no hydrogen 3.310 N/A LEU 142.A N ALA 130.A O no hydrogen 3.336 N/A SER 144.A N TRP 128.A O no hydrogen 3.147 N/A SER 144.A OG GLU 146.A O no hydrogen 3.108 N/A SER 144.A OG GLU 149.A OE1 no hydrogen 2.918 N/A GLU 146.A N SER 144.A OG no hydrogen 2.860 N/A ALA 147.A N TYR 116.A OH no hydrogen 3.092 N/A LEU 151.A N ALA 147.A O no hydrogen 3.048 N/A ASP 152.A N SER 148.A O no hydrogen 3.187 N/A PHE 153.A N GLU 149.A O no hydrogen 3.095 N/A PHE 153.A N LEU 150.A O no hydrogen 2.998 N/A ILE 154.A N LEU 150.A O no hydrogen 3.159 N/A ASP 155.A N LEU 151.A O no hydrogen 3.258 N/A GLN 157.A N ILE 154.A O no hydrogen 3.177 N/A GLN 157.A NE2 PHE 153.A O no hydrogen 3.597 N/A HIS 161.A N ILE 100.A O no hydrogen 3.087 N/A HIS 161.A ND1 GLN 159.A O no hydrogen 3.140 N/A VAL 162.A N LYS 131.A O no hydrogen 2.868 N/A ILE 163.A N TYR 98.A O no hydrogen 2.770 N/A GLN 164.A N ILE 129.A O no hydrogen 2.864 N/A GLN 164.A NE2 PRO 95.A O no hydrogen 3.660 N/A GLN 164.A NE2 SER 97.A OG no hydrogen 2.481 N/A LYS 165.A N GLU 96.A O no hydrogen 2.801 N/A LYS 165.A NZ VAL 127.A O no hydrogen 2.968 N/A TYR 166.A N VAL 127.A O no hydrogen 3.132 N/A TYR 166.A OH HIS 220.A ND1 no hydrogen 2.375 N/A LEU 171.A N VAL 302.A O no hydrogen 3.113 N/A LEU 173.A N ARG 178.A O no hydrogen 3.167 N/A HIS 177.A N GLU 174.A OE1 no hydrogen 3.057 N/A HIS 177.A ND1 GLU 174.A OE2 no hydrogen 3.035 N/A ARG 178.A N LEU 173.A O no hydrogen 3.408 N/A ARG 178.A NE PRO 175.A O no hydrogen 2.972 N/A ARG 178.A NH1 SER 205.A O no hydrogen 3.394 N/A ARG 178.A NH1 GLU 238.A OE1 no hydrogen 3.300 N/A ARG 178.A NH1 GLU 238.A OE2 no hydrogen 2.448 N/A ARG 178.A NH2 GLU 238.A OE1 no hydrogen 2.879 N/A LYS 179.A NZ TYR 166.A OH no hydrogen 2.898 N/A ASP 181.A N ARG 203.A O no hydrogen 3.186 N/A ILE 182.A N PHE 300.A O no hydrogen 2.794 N/A ARG 183.A N VAL 201.A O no hydrogen 2.854 N/A ARG 183.A NE ASP 299.A OD1 no hydrogen 2.671 N/A ARG 183.A NH2 ASP 299.A OD1 no hydrogen 3.467 N/A SER 184.A N PHE 298.A O no hydrogen 2.874 N/A TRP 185.A NE1 ALA 318.A O no hydrogen 2.958 N/A VAL 186.A N PHE 296.A O no hydrogen 2.976 N/A LEU 187.A N TYR 195.A O no hydrogen 2.808 N/A VAL 188.A N GLN 294.A O no hydrogen 3.007 N/A ASP 189.A N ASN 193.A O no hydrogen 3.255 N/A LEU 191.A N ASP 189.A OD1 no hydrogen 2.973 N/A TYR 192.A N ASP 189.A O no hydrogen 3.105 N/A TYR 192.A OH LEU 276.A O no hydrogen 2.719 N/A ASN 193.A N ASP 189.A OD1 no hydrogen 2.897 N/A ASN 193.A ND2 ASP 189.A OD2 no hydrogen 3.534 N/A ASN 193.A ND2 TYR 195.A OH no hydrogen 3.301 N/A TYR 195.A N LEU 187.A O no hydrogen 2.820 N/A LEU 196.A N ILE 349.A O no hydrogen 2.819 N/A TYR 197.A N TRP 185.A O no hydrogen 2.886 N/A TYR 197.A OH GLU 326.A OE1 no hydrogen 2.455 N/A ARG 198.A N ILE 347.A O no hydrogen 2.860 N/A VAL 201.A N ARG 183.A O no hydrogen 3.211 N/A LEU 202.A N MET 243.A O no hydrogen 2.765 N/A ARG 203.A N ASP 181.A O no hydrogen 2.806 N/A ARG 203.A NE ASP 181.A OD1 no hydrogen 2.713 N/A ARG 203.A NH1 ASP 181.A OD1 no hydrogen 2.963 N/A ARG 203.A NH1 ASP 299.A OD2 no hydrogen 3.068 N/A THR 204.A N ASN 241.A O no hydrogen 3.072 N/A THR 204.A OG1 SER 205.A O no hydrogen 3.561 N/A THR 204.A OG1 GLU 238.A OE2 no hydrogen 2.556 N/A SER 205.A N LYS 179.A O no hydrogen 2.932 N/A SER 205.A OG GLU 207.A O no hydrogen 3.261 N/A SER 205.A OG THR 218.A O no hydrogen 3.358 N/A SER 206.A N GLN 227.A OE1 no hydrogen 3.274 N/A SER 206.A OG GLN 227.A OE1 no hydrogen 3.056 N/A SER 206.A OG SER 231.A OG no hydrogen 2.766 N/A GLU 207.A N SER 205.A OG no hydrogen 3.368 N/A TYR 209.A N HIS 177.A O no hydrogen 2.615 N/A ALA 212.A N ASN 210.A OD1 no hydrogen 3.210 N/A ASN 213.A N ASN 210.A O no hydrogen 3.437 N/A GLN 215.A N ASN 213.A OD1 no hydrogen 3.132 N/A ASP 216.A N ASN 213.A OD1 no hydrogen 2.908 N/A LYS 217.A NZ ILE 141.A O no hydrogen 2.810 N/A HIS 220.A ND1 TYR 166.A OH no hydrogen 2.375 N/A HIS 220.A NE2 ASN 210.A O no hydrogen 3.185 N/A THR 222.A OG1 ASP 181.A OD2 no hydrogen 2.430 N/A ILE 226.A N ASN 223.A O no hydrogen 2.779 N/A GLN 227.A N ASN 223.A O no hydrogen 3.177 N/A GLN 227.A NE2 THR 218.A O no hydrogen 2.502 N/A GLN 227.A NE2 LEU 221.A O no hydrogen 2.999 N/A LYS 228.A N HIS 224.A O no hydrogen 2.998 N/A LYS 228.A NZ TYR 234.A OH no hydrogen 3.002 N/A GLU 229.A N ILE 226.A O no hydrogen 3.203 N/A TYR 230.A N ILE 226.A O no hydrogen 3.022 N/A SER 231.A OG SER 206.A OG no hydrogen 2.766 N/A SER 231.A OG GLU 207.A OE2 no hydrogen 2.459 N/A ASN 233.A N GLU 207.A OE2 no hydrogen 3.208 N/A ASN 233.A N SER 231.A OG no hydrogen 3.360 N/A ASN 233.A ND2 GLU 207.A OE2 no hydrogen 2.958 N/A GLY 235.A N ASN 241.A OD1 no hydrogen 3.217 N/A ARG 236.A N ASN 233.A O no hydrogen 3.071 N/A ARG 236.A NE.A ASN 233.A OD1 no hydrogen 2.975 N/A ARG 236.A NH2.A ASN 233.A OD1 no hydrogen 2.556 N/A ASN 241.A N GLU 238.A O no hydrogen 3.205 N/A ASN 241.A ND2 SER 206.A OG no hydrogen 3.419 N/A MET 243.A N LEU 202.A O no hydrogen 3.013 N/A PHE 248.A N PHE 244.A O no hydrogen 3.158 N/A ASN 249.A N PHE 245.A O no hydrogen 2.891 N/A GLN 250.A N GLU 246.A O no hydrogen 3.037 N/A GLN 250.A NE2 ASP 254.A OD1 no hydrogen 3.323 N/A GLN 250.A NE2 ASP 254.A OD2 no hydrogen 3.317 N/A TYR 251.A N GLU 247.A O no hydrogen 2.900 N/A LEU 252.A N PHE 248.A O no hydrogen 2.985 N/A MET 253.A N ASN 249.A O no hydrogen 3.078 N/A ASP 254.A N GLN 250.A O no hydrogen 2.932 N/A ALA 255.A N TYR 251.A O no hydrogen 2.728 N/A LEU 256.A N LEU 252.A O no hydrogen 2.857 N/A ASN 257.A N MET 253.A O no hydrogen 3.174 N/A THR 258.A N LEU 252.A O no hydrogen 3.263 N/A LEU 260.A N ASN 249.A OD1 no hydrogen 2.770 N/A ASN 262.A N THR 259.A OG1 no hydrogen 3.220 N/A SER 263.A N THR 259.A O no hydrogen 3.122 N/A SER 263.A OG THR 259.A O no hydrogen 3.010 N/A ILE 264.A N LEU 260.A O no hydrogen 3.306 N/A LEU 265.A N LEU 260.A O no hydrogen 3.007 N/A LEU 266.A N GLU 261.A O no hydrogen 3.287 N/A GLN 267.A NE2 LEU 306.A O no hydrogen 3.136 N/A ILE 268.A N ILE 264.A O no hydrogen 3.060 N/A LYS 269.A N LEU 265.A O no hydrogen 2.846 N/A LYS 269.A NZ GLU 261.A OE1 no hydrogen 3.568 N/A LYS 269.A NZ GLU 261.A OE2 no hydrogen 3.166 N/A HIS 270.A N LEU 266.A O no hydrogen 3.043 N/A ILE 271.A N GLN 267.A O no hydrogen 3.034 N/A ILE 272.A N ILE 268.A O no hydrogen 2.951 N/A ARG 273.A N LYS 269.A O no hydrogen 3.018 N/A SER 274.A N HIS 270.A O no hydrogen 2.952 N/A SER 274.A OG HIS 270.A O no hydrogen 2.325 N/A CYS 275.A N ILE 271.A O no hydrogen 2.983 N/A CYS 275.A SG ILE 271.A O no hydrogen 3.621 N/A LEU 276.A N ILE 272.A O no hydrogen 3.197 N/A MET 277.A N ARG 273.A O no hydrogen 2.951 N/A CYS 278.A N SER 274.A O no hydrogen 3.221 N/A CYS 278.A SG SER 84.A OG no hydrogen 3.468 N/A ILE 283.A N ILE 279.A O no hydrogen 3.109 N/A ILE 283.A N GLU 280.A O no hydrogen 3.285 N/A SER 284.A N GLU 280.A O no hydrogen 2.908 N/A LYS 286.A N SER 284.A OG no hydrogen 3.136 N/A LEU 288.A N THR 285.A O no hydrogen 3.385 N/A GLN 291.A N GLN 60.A O no hydrogen 3.116 N/A SER 292.A N THR 285.A OG1 no hydrogen 3.137 N/A SER 292.A OG TYR 64.A O no hydrogen 2.772 N/A PHE 293.A N VAL 62.A O no hydrogen 3.075 N/A GLN 294.A N VAL 188.A O no hydrogen 3.058 N/A GLN 294.A NE2 GLY 315.A O no hydrogen 3.101 N/A PHE 296.A N VAL 186.A O no hydrogen 2.690 N/A GLY 297.A N ASN 314.A O no hydrogen 2.837 N/A PHE 298.A N SER 184.A O no hydrogen 2.842 N/A ASP 299.A N GLU 312.A O no hydrogen 2.934 N/A PHE 300.A N ILE 182.A O no hydrogen 2.702 N/A MET 301.A N TRP 309.A O no hydrogen 2.839 N/A ASP 303.A N LYS 307.A O no hydrogen 3.012 N/A GLU 304.A N LYS 169.A O no hydrogen 2.962 N/A GLU 305.A N ASP 303.A OD1 no hydrogen 2.889 N/A LEU 306.A N ASP 303.A O no hydrogen 3.006 N/A LYS 307.A N ASP 303.A OD1 no hydrogen 3.171 N/A LYS 307.A NZ THR 92.A O no hydrogen 2.547 N/A VAL 308.A N GLN 267.A OE1 no hydrogen 2.991 N/A TRP 309.A N MET 301.A O no hydrogen 2.664 N/A TRP 309.A NE1 ASP 303.A OD2 no hydrogen 2.987 N/A LEU 310.A N TRP 93.A O no hydrogen 2.891 N/A ILE 311.A N ASP 299.A O no hydrogen 2.844 N/A ASN 314.A N GLY 297.A O no hydrogen 2.726 N/A ASN 314.A ND2 GLU 312.A OE1 no hydrogen 3.393 N/A CYS 319.A N TYR 324.A OH no hydrogen 3.089 N/A CYS 319.A SG ALA 320.A O no hydrogen 3.786 N/A LEU 323.A N ALA 320.A O no hydrogen 2.694 N/A TYR 324.A OH SER 12.A OG no hydrogen 2.393 N/A LEU 327.A N LEU 323.A O no hydrogen 3.122 N/A CYS 328.A N TYR 324.A O no hydrogen 3.017 N/A CYS 328.A SG VAL 13.A O no hydrogen 3.187 N/A CYS 328.A SG TYR 324.A O no hydrogen 3.302 N/A GLN 329.A N ALA 325.A O no hydrogen 3.193 N/A GLN 329.A NE2 ASP 333.A OD2 no hydrogen 2.537 N/A GLY 330.A N GLU 326.A O no hydrogen 3.043 N/A ILE 331.A N LEU 327.A O no hydrogen 2.885 N/A VAL 332.A N CYS 328.A O no hydrogen 3.120 N/A ASP 333.A N GLN 329.A O no hydrogen 2.842 N/A VAL 334.A N GLY 330.A O no hydrogen 2.837 N/A ALA 335.A N ILE 331.A O no hydrogen 2.797 N/A ILE 336.A N ILE 331.A O no hydrogen 3.350 N/A ILE 336.A N VAL 332.A O no hydrogen 3.363 N/A SER 337.A N VAL 332.A O no hydrogen 2.911 N/A SER 337.A OG VAL 332.A O no hydrogen 3.322 N/A SER 338.A OG VAL 334.A O no hydrogen 2.623 N/A VAL 339.A N ILE 336.A O no hydrogen 3.093 N/A PHE 340.A N ILE 336.A O no hydrogen 2.918 N/A ALA 343.A N GLN 26.A OE1 no hydrogen 3.042 N/A ILE 349.A N LEU 196.A O no hydrogen 2.605 N/A LEU 351.A N ILE 194.A O no hydrogen 2.820 N/A