Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4fag_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 MET 41.A O no hydrogen 2.660 N/A GLU 4.A N ASP 2.A OD1 no hydrogen 2.762 N/A GLN 8.A NE2 VAL 6.A O no hydrogen 3.467 N/A THR 15.A N LYS 13.A O no hydrogen 2.762 N/A THR 15.A OG1 GLU 17.A OE1 no hydrogen 3.289 N/A GLU 17.A N THR 15.A OG1 no hydrogen 3.299 N/A GLU 17.A N GLU 17.A OE1 no hydrogen 2.596 N/A LEU 18.A N THR 15.A OG1 no hydrogen 3.207 N/A ARG 19.A N THR 15.A O no hydrogen 3.032 N/A ARG 19.A NE ASP 14.A OD2 no hydrogen 3.113 N/A ALA 20.A N PRO 16.A O no hydrogen 3.085 N/A LEU 21.A N GLU 17.A O no hydrogen 3.089 N/A TYR 22.A N LEU 18.A O no hydrogen 3.080 N/A LYS 23.A N ARG 19.A O no hydrogen 2.790 N/A SER 24.A N ALA 20.A O no hydrogen 2.881 N/A PHE 25.A N LEU 21.A O no hydrogen 2.820 N/A GLU 26.A N TYR 22.A O no hydrogen 3.072 N/A GLU 27.A N LYS 23.A O no hydrogen 3.263 N/A GLU 28.A N SER 24.A O no hydrogen 3.148 N/A GLU 28.A N PHE 25.A O no hydrogen 3.041 N/A ILE 30.A N PHE 25.A O no hydrogen 3.094 N/A TRP 34.A NE1 TYR 22.A OH no hydrogen 3.227 N/A THR 35.A OG1 PRO 32.A O no hydrogen 3.450 N/A GLN 36.A N LEU 33.A O no hydrogen 3.193 N/A LEU 40.A N GLN 36.A O no hydrogen 3.362 N/A MET 41.A N LEU 37.A O no hydrogen 2.871 N/A HIS 44.A ND1 PRO 45.A O no hydrogen 3.192 N/A ALA 49.A N SER 47.A OG no hydrogen 3.167 N/A VAL 50.A N ASN 85.A OD1 no hydrogen 2.726 N/A TRP 54.A N MET 321.A O no hydrogen 2.710 N/A LYS 55.A NZ ASP 320.A OD2 no hydrogen 3.296 N/A TRP 56.A N ASP 320.A OD1 no hydrogen 2.917 N/A LEU 59.A N LYS 55.A O no hydrogen 3.001 N/A LEU 60.A N TRP 56.A O no hydrogen 2.740 N/A ARG 61.A N SER 57.A O no hydrogen 2.970 N/A LEU 62.A N THR 58.A O no hydrogen 3.125 N/A ALA 63.A N LEU 59.A O no hydrogen 2.868 N/A ARG 64.A N LEU 60.A O no hydrogen 2.901 N/A LYS 65.A N ARG 61.A O no hydrogen 3.113 N/A LYS 65.A NZ GLU 68.A OE1 no hydrogen 3.189 N/A LYS 65.A NZ GLU 68.A OE2 no hydrogen 3.355 N/A SER 66.A N LEU 62.A O no hydrogen 3.017 N/A SER 66.A OG LEU 62.A O no hydrogen 2.923 N/A GLY 67.A N ALA 63.A O no hydrogen 3.039 N/A GLU 68.A N ARG 64.A O no hydrogen 3.117 N/A GLU 68.A N LYS 65.A O no hydrogen 2.832 N/A LEU 69.A N LYS 65.A O no hydrogen 3.007 N/A VAL 70.A N SER 66.A O no hydrogen 3.158 N/A ARG 74.A NH1 GLU 77.A OE2 no hydrogen 3.301 N/A ARG 78.A N GLY 76.A O no hydrogen 2.664 N/A ARG 78.A NH1 GLU 77.A O no hydrogen 3.291 N/A ARG 78.A NH1 PRO 112.A O no hydrogen 3.454 N/A ARG 78.A NH2 PRO 112.A O no hydrogen 3.344 N/A ARG 78.A NH2 HIS 155.A O no hydrogen 3.413 N/A ARG 79.A NH1 VAL 70.A O no hydrogen 2.438 N/A ARG 79.A NH2 GLU 109.A OE2 no hydrogen 2.948 N/A LEU 81.A N ILE 102.A O no hydrogen 2.836 N/A LEU 83.A N ALA 100.A O no hydrogen 2.897 N/A ASN 85.A N TYR 93.A O no hydrogen 2.857 N/A ASN 85.A ND2 VAL 50.A O no hydrogen 2.873 N/A ASN 85.A ND2 ILE 94.A O no hydrogen 2.839 N/A GLY 87.A N ASN 85.A OD1 no hydrogen 3.012 N/A LEU 88.A N ASN 85.A O no hydrogen 3.077 N/A ASN 91.A N LEU 88.A O no hydrogen 3.012 N/A ASN 91.A ND2 LEU 88.A O no hydrogen 3.050 N/A ILE 94.A N MET 98.A O no hydrogen 3.071 N/A SER 95.A N MET 98.A O no hydrogen 3.419 N/A SER 95.A OG THR 97.A OG1 no hydrogen 3.112 N/A SER 95.A OG SER 295.A OG no hydrogen 2.715 N/A THR 97.A N SER 95.A OG no hydrogen 3.309 N/A THR 97.A OG1 SER 95.A OG no hydrogen 3.112 N/A THR 97.A OG1 SER 295.A OG no hydrogen 3.078 N/A THR 97.A OG1 ASP 345.A OD2 no hydrogen 2.859 N/A MET 98.A N SER 95.A OG no hydrogen 3.097 N/A TYR 99.A N LEU 171.A O no hydrogen 2.736 N/A GLY 101.A N ASP 169.A O no hydrogen 2.949 N/A ILE 102.A N LEU 81.A O no hydrogen 2.756 N/A GLN 103.A N TRP 167.A O no hydrogen 3.099 N/A TYR 104.A N ARG 79.A O no hydrogen 3.152 N/A LEU 105.A N MET 165.A O no hydrogen 2.885 N/A GLY 106.A N GLU 109.A OE1 no hydrogen 2.600 N/A ARG 108.A N THR 161.A O no hydrogen 3.247 N/A ARG 108.A NE ASP 162.A OD2 no hydrogen 3.272 N/A GLU 109.A N GLY 106.A O no hydrogen 3.085 N/A ALA 111.A N HIS 157.A O no hydrogen 2.999 N/A GLU 113.A N SER 188.A O no hydrogen 2.352 N/A HIS 114.A N HIS 155.A O no hydrogen 2.986 N/A HIS 114.A ND1 GLU 77.A OE1 no hydrogen 3.012 N/A ARG 115.A N GLU 185.A O no hydrogen 3.052 N/A ARG 115.A NE TRP 152.A O no hydrogen 3.437 N/A HIS 116.A ND1 GLN 118.A O no hydrogen 3.033 N/A SER 117.A N PHE 183.A O no hydrogen 2.955 N/A SER 117.A OG GLN 118.A OE1 no hydrogen 3.391 N/A SER 117.A OG VAL 181.A O no hydrogen 2.775 N/A GLN 118.A N GLN 118.A OE1 no hydrogen 2.696 N/A ASN 119.A N ASP 172.A OD1 no hydrogen 2.860 N/A ASN 119.A N ASP 172.A OD2 no hydrogen 3.307 N/A ASN 119.A ND2 ASP 172.A OD2 no hydrogen 3.228 N/A ALA 120.A N THR 149.A O no hydrogen 3.078 N/A PHE 121.A N GLY 170.A O no hydrogen 3.026 N/A ARG 122.A N LEU 147.A O no hydrogen 2.897 N/A ARG 122.A NE ASP 169.A OD1 no hydrogen 3.464 N/A PHE 123.A N ILE 168.A O no hydrogen 2.762 N/A VAL 124.A N ASP 145.A O no hydrogen 3.292 N/A TRP 131.A N MET 158.A O no hydrogen 3.098 N/A THR 132.A N VAL 139.A O no hydrogen 3.058 N/A THR 132.A OG1 HIS 157.A ND1 no hydrogen 2.953 N/A VAL 133.A N GLY 156.A O no hydrogen 2.909 N/A VAL 134.A N ASP 137.A O no hydrogen 3.039 N/A ASN 135.A N PHE 154.A O no hydrogen 2.924 N/A ASP 137.A N VAL 134.A O no hydrogen 2.876 N/A VAL 139.A N THR 132.A O no hydrogen 2.821 N/A ARG 140.A NE ASN 198.A O no hydrogen 2.754 N/A ARG 140.A NH1 SER 142.A OG no hydrogen 3.228 N/A MET 141.A N VAL 130.A O no hydrogen 2.831 N/A SER 142.A N ASP 145.A OD2 no hydrogen 2.998 N/A SER 142.A OG ASP 145.A OD2 no hydrogen 3.181 N/A GLY 144.A N VAL 124.A O no hydrogen 2.698 N/A ASP 145.A N SER 142.A O no hydrogen 2.862 N/A LEU 146.A N TYR 228.A O no hydrogen 3.149 N/A LEU 147.A N ARG 122.A O no hydrogen 2.925 N/A LEU 148.A N GLY 226.A O no hydrogen 3.168 N/A THR 149.A N ALA 120.A O no hydrogen 2.874 N/A GLY 151.A N ASN 119.A OD1 no hydrogen 3.147 N/A TRP 152.A N HIS 116.A O no hydrogen 2.707 N/A CYS 153.A N PRO 150.A O no hydrogen 3.362 N/A HIS 155.A N HIS 114.A O no hydrogen 2.760 N/A HIS 155.A ND1 CYS 153.A O no hydrogen 2.879 N/A GLY 156.A N VAL 133.A O no hydrogen 3.350 N/A MET 158.A N TRP 131.A O no hydrogen 3.122 N/A ASN 159.A N GLU 109.A O no hydrogen 2.791 N/A ASN 159.A ND2 GLY 106.A O no hydrogen 3.188 N/A ASN 159.A ND2 GLN 163.A O no hydrogen 2.472 N/A ASP 160.A N GLY 129.A O no hydrogen 3.169 N/A THR 161.A N ASN 159.A OD1 no hydrogen 2.860 N/A MET 165.A N LEU 105.A O no hydrogen 2.736 N/A TRP 167.A N GLN 103.A O no hydrogen 3.141 N/A TRP 167.A NE1 ASP 169.A OD1 no hydrogen 2.773 N/A ILE 168.A N PHE 123.A O no hydrogen 2.750 N/A ASP 169.A N GLY 101.A O no hydrogen 2.870 N/A GLY 170.A N PHE 121.A O no hydrogen 2.955 N/A LEU 171.A N TYR 99.A O no hydrogen 2.939 N/A ASP 172.A N ASN 119.A O no hydrogen 3.398 N/A PHE 175.A N THR 97.A O no hydrogen 3.021 N/A SER 176.A N ASP 172.A O no hydrogen 2.912 N/A SER 176.A OG ASP 172.A O no hydrogen 2.904 N/A SER 176.A OG ASP 172.A OD1 no hydrogen 3.261 N/A GLN 177.A N ILE 173.A O no hydrogen 2.713 N/A GLN 177.A NE2 TYR 93.A OH no hydrogen 2.069 N/A GLN 178.A N PRO 174.A O no hydrogen 3.291 N/A MET 179.A N PHE 175.A O no hydrogen 2.884 N/A ASP 180.A N GLN 177.A O no hydrogen 3.342 N/A VAL 181.A N SER 176.A O no hydrogen 3.180 N/A PHE 183.A N SER 117.A OG no hydrogen 2.957 N/A GLU 185.A N ARG 115.A O no hydrogen 2.662 N/A SER 188.A OG GLU 113.A OE1 no hydrogen 3.547 N/A SER 188.A OG ARG 190.A O no hydrogen 3.331 N/A SER 200.A N GLU 203.A OE2 no hydrogen 3.081 N/A SER 200.A OG GLU 203.A OE2 no hydrogen 2.435 N/A ARG 201.A N ASP 137.A OD1 no hydrogen 2.996 N/A ARG 201.A NH2.B ASP 193.A OD2 no hydrogen 3.497 N/A GLY 202.A N ASP 137.A OD2 no hydrogen 3.117 N/A GLU 203.A N SER 200.A OG no hydrogen 3.327 N/A ARG 204.A N SER 200.A O no hydrogen 3.044 N/A LEU 205.A N ARG 201.A O no hydrogen 2.874 N/A TRP 206.A N GLY 202.A O no hydrogen 2.902 N/A CYS 207.A N GLU 203.A O no hydrogen 2.654 N/A HIS 208.A NE2 ARG 204.A O no hydrogen 2.639 N/A LEU 211.A N HIS 208.A O no hydrogen 3.029 N/A ARG 212.A NE GLY 216.A O no hydrogen 2.730 N/A ARG 212.A NH1 THR 265.A O no hydrogen 3.186 N/A ARG 212.A NH2 GLY 216.A O no hydrogen 3.082 N/A GLY 216.A N PRO 213.A O no hydrogen 3.081 N/A GLN 218.A NE2 ASN 219.A O no hydrogen 3.595 N/A THR 220.A N THR 265.A OG1 no hydrogen 3.081 N/A THR 220.A OG1 ALA 222.A O no hydrogen 2.517 N/A THR 220.A OG1 THR 265.A OG1 no hydrogen 3.015 N/A SER 223.A N VAL 270.A O no hydrogen 2.982 N/A SER 223.A OG TYR 228.A OH no hydrogen 2.619 N/A ILE 225.A N SER 223.A OG no hydrogen 3.043 N/A TYR 228.A N LEU 146.A O no hydrogen 2.786 N/A TYR 228.A OH SER 223.A OG no hydrogen 2.619 N/A TYR 228.A OH VAL 262.A O no hydrogen 2.592 N/A ARG 229.A NE GLU 203.A OE1 no hydrogen 2.600 N/A ARG 229.A NH1 ARG 140.A O no hydrogen 2.675 N/A ARG 229.A NH1 ASP 145.A OD2 no hydrogen 3.078 N/A ARG 229.A NH2 ARG 140.A O no hydrogen 3.491 N/A ARG 229.A NH2 GLU 203.A OE1 no hydrogen 2.704 N/A ARG 229.A NH2 GLU 203.A OE2 no hydrogen 2.889 N/A TRP 230.A N ASP 145.A OD1 no hydrogen 2.903 N/A THR 233.A N ARG 229.A O no hydrogen 3.265 N/A THR 233.A OG1 ARG 229.A O no hydrogen 3.429 N/A ASP 234.A N TRP 230.A O no hydrogen 2.650 N/A ARG 235.A N GLU 231.A O no hydrogen 2.834 N/A ALA 236.A N PHE 232.A O no hydrogen 2.836 N/A LEU 237.A N THR 233.A O no hydrogen 3.243 N/A THR 238.A N ASP 234.A O no hydrogen 3.009 N/A THR 238.A OG1 ASP 234.A O no hydrogen 3.258 N/A GLU 239.A N ARG 235.A O no hydrogen 2.938 N/A GLN 240.A N ALA 236.A O no hydrogen 3.140 N/A GLN 240.A NE2 ALA 258.A O no hydrogen 3.120 N/A LEU 241.A N LEU 237.A O no hydrogen 3.291 N/A LEU 241.A N THR 238.A O no hydrogen 2.816 N/A LEU 242.A N THR 238.A O no hydrogen 2.847 N/A LEU 243.A N GLU 239.A O no hydrogen 2.721 N/A GLU 244.A N GLN 240.A O no hydrogen 3.198 N/A ASP 245.A N LEU 241.A O no hydrogen 2.914 N/A GLU 246.A N LEU 242.A O no hydrogen 2.962 N/A GLY 247.A N GLU 244.A O no hydrogen 2.929 N/A GLN 248.A N LEU 243.A O no hydrogen 2.860 N/A THR 251.A OG1 GLU 244.A OE2 no hydrogen 3.135 N/A THR 251.A OG1 ALA 253.A O no hydrogen 3.304 N/A VAL 252.A N HIS 256.A O no hydrogen 3.067 N/A GLY 255.A N GLU 244.A OE2 no hydrogen 2.547 N/A HIS 256.A N ALA 253.A O no hydrogen 2.803 N/A ALA 257.A N ARG 280.A O no hydrogen 3.060 N/A ALA 258.A N GLN 240.A OE1 no hydrogen 3.052 N/A ILE 259.A N PHE 278.A O no hydrogen 3.115 N/A ARG 260.A NE GLU 277.A OE2 no hydrogen 3.321 N/A ARG 260.A NH1 GLU 277.A OE2 no hydrogen 2.897 N/A TYR 261.A N CYS 276.A O no hydrogen 3.024 N/A ASN 263.A N GLY 268.A O no hydrogen 3.001 N/A ASN 263.A ND2 THR 220.A O no hydrogen 3.007 N/A THR 265.A N ASN 263.A OD1 no hydrogen 2.799 N/A THR 265.A OG1 THR 220.A OG1 no hydrogen 3.015 N/A THR 265.A OG1 ASN 263.A OD1 no hydrogen 2.682 N/A THR 266.A N ASN 263.A O no hydrogen 3.068 N/A GLY 267.A N ASN 263.A O no hydrogen 2.703 N/A GLY 268.A N THR 266.A OG1 no hydrogen 3.004 N/A THR 273.A OG1 ASP 172.A OD2 no hydrogen 2.584 N/A ARG 275.A N SER 344.A O no hydrogen 3.056 N/A ARG 275.A NE ASP 269.A OD1 no hydrogen 2.894 N/A ARG 275.A NH1 GLU 350.A OE1 no hydrogen 2.908 N/A ARG 275.A NH1 GLU 350.A OE2 no hydrogen 3.541 N/A ARG 275.A NH2 ASP 269.A OD2 no hydrogen 3.004 N/A ARG 275.A NH2 GLU 350.A OE1 no hydrogen 3.502 N/A ARG 275.A NH2 GLU 350.A OE2 no hydrogen 2.866 N/A GLU 277.A N ARG 342.A O no hydrogen 2.870 N/A PHE 278.A N ILE 259.A O no hydrogen 2.905 N/A HIS 279.A N LEU 340.A O no hydrogen 2.823 N/A ARG 280.A N ALA 257.A O no hydrogen 3.038 N/A ARG 280.A NE ASP 339.A OD1 no hydrogen 2.709 N/A ARG 280.A NH1 ASP 234.A OD1 no hydrogen 2.966 N/A ARG 280.A NH2 ASP 234.A OD1 no hydrogen 2.601 N/A LEU 281.A N PHE 338.A O no hydrogen 3.032 N/A ARG 282.A N GLY 255.A O no hydrogen 2.991 N/A ARG 282.A NE GLU 244.A OE1 no hydrogen 3.105 N/A ARG 282.A NH2 LEU 241.A O no hydrogen 2.790 N/A ARG 282.A NH2 GLU 244.A OE1 no hydrogen 2.928 N/A GLY 284.A N ALA 334.A O no hydrogen 3.116 N/A THR 285.A N ARG 282.A O no hydrogen 3.047 N/A THR 285.A OG1 ARG 282.A O no hydrogen 2.384 N/A THR 287.A N LEU 332.A O no hydrogen 3.013 N/A THR 287.A OG1 ALA 288.A O no hydrogen 3.523 N/A THR 289.A OG1 GLU 360.A OE1 no hydrogen 3.508 N/A ARG 290.A N TRP 330.A O no hydrogen 3.103 N/A ARG 290.A NH2 GLU 292.A OE2 no hydrogen 2.860 N/A ASN 291.A N LYS 358.A O no hydrogen 2.854 N/A VAL 293.A N ARG 356.A O no hydrogen 3.314 N/A GLY 294.A N SER 326.A OG no hydrogen 3.178 N/A SER 295.A N ASP 345.A OD2 no hydrogen 2.721 N/A SER 295.A OG SER 95.A OG no hydrogen 2.715 N/A SER 295.A OG ASP 345.A OD2 no hydrogen 2.853 N/A THR 296.A N VAL 324.A O no hydrogen 3.208 N/A THR 296.A OG1 PHE 343.A O no hydrogen 2.971 N/A VAL 297.A N PHE 343.A O no hydrogen 2.694 N/A PHE 298.A N PHE 322.A O no hydrogen 3.154 N/A GLN 299.A N PHE 341.A O no hydrogen 2.819 N/A GLN 299.A NE2 GLY 319.A O no hydrogen 3.015 N/A VAL 300.A N ASP 320.A O no hydrogen 2.979 N/A PHE 301.A N ASP 339.A O no hydrogen 2.794 N/A GLU 302.A N ASP 339.A O no hydrogen 3.289 N/A GLY 305.A N LEU 316.A O no hydrogen 3.197 N/A ALA 306.A N GLN 333.A O no hydrogen 2.814 N/A VAL 307.A N THR 314.A O no hydrogen 3.168 N/A VAL 308.A N SER 331.A O no hydrogen 2.843 N/A MET 309.A N GLU 312.A O no hydrogen 3.071 N/A ASN 310.A N PRO 329.A O no hydrogen 3.147 N/A GLU 312.A N MET 309.A O no hydrogen 3.042 N/A THR 314.A N VAL 307.A O no hydrogen 2.832 N/A LYS 315.A NZ GLU 317.A OE2 no hydrogen 3.390 N/A LEU 316.A N GLY 305.A O no hydrogen 2.718 N/A GLU 317.A N ASP 320.A OD2 no hydrogen 2.994 N/A LYS 318.A NZ GLU 302.A OE1 no hydrogen 3.300 N/A LYS 318.A NZ GLU 302.A OE2 no hydrogen 3.445 N/A GLY 319.A N VAL 300.A O no hydrogen 2.657 N/A ASP 320.A N GLU 317.A O no hydrogen 3.072 N/A MET 321.A N TRP 54.A O no hydrogen 3.058 N/A PHE 322.A N PHE 298.A O no hydrogen 3.179 N/A VAL 323.A N HIS 52.A O no hydrogen 2.973 N/A VAL 324.A N THR 296.A O no hydrogen 3.131 N/A TRP 327.A N GLU 292.A O no hydrogen 2.880 N/A VAL 328.A N PRO 325.A O no hydrogen 3.143 N/A TRP 330.A N ARG 290.A O no hydrogen 3.030 N/A TRP 330.A NE1 GLU 292.A OE1 no hydrogen 3.232 N/A SER 331.A N VAL 308.A O no hydrogen 3.009 N/A SER 331.A OG GLU 286.A OE2.A no hydrogen 3.134 N/A LEU 332.A N THR 287.A OG1 no hydrogen 3.234 N/A GLN 333.A N ALA 306.A O no hydrogen 2.847 N/A ALA 334.A N THR 285.A O no hydrogen 2.946 N/A GLU 335.A N ALA 304.A O no hydrogen 2.906 N/A THR 336.A N ALA 304.A O no hydrogen 3.318 N/A THR 336.A OG1 GLN 337.A O no hydrogen 3.205 N/A PHE 338.A N LEU 281.A O no hydrogen 2.974 N/A ASP 339.A N GLU 302.A O no hydrogen 2.870 N/A LEU 340.A N HIS 279.A O no hydrogen 2.736 N/A PHE 341.A N GLN 299.A O no hydrogen 2.854 N/A ARG 342.A N GLU 277.A O no hydrogen 2.922 N/A ARG 342.A NE THR 296.A OG1 no hydrogen 2.775 N/A ARG 342.A NH1 GLU 277.A OE1 no hydrogen 3.319 N/A ARG 342.A NH2 GLU 292.A OE1 no hydrogen 2.844 N/A PHE 343.A N VAL 297.A O no hydrogen 2.904 N/A SER 344.A N ARG 275.A O no hydrogen 3.011 N/A ASP 345.A N SER 295.A O no hydrogen 3.208 N/A ALA 346.A N SER 344.A OG no hydrogen 3.136 N/A ILE 348.A N ASP 345.A O no hydrogen 2.986 N/A MET 349.A N ASP 345.A O no hydrogen 3.414 N/A GLU 350.A N ALA 346.A O no hydrogen 2.750 N/A ALA 351.A N PRO 347.A O no hydrogen 2.782 N/A LEU 352.A N ILE 348.A O no hydrogen 3.181 N/A SER 353.A N GLU 350.A O no hydrogen 3.141 N/A PHE 354.A N MET 349.A O no hydrogen 2.736 N/A LYS 358.A N ASN 291.A O no hydrogen 3.042 N/A GLU 360.A N THR 289.A O no hydrogen 2.937 N/A