Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xds_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N ASP 7.A OD2 no hydrogen 2.814 N/A THR 4.A OG1 ASP 7.A OD2 no hydrogen 2.715 N/A GLN 6.A N THR 4.A OG1 no hydrogen 3.133 N/A GLN 6.A NE2 GLN 6.A O no hydrogen 2.813 N/A LEU 8.A N ASP 5.A O no hydrogen 3.094 N/A ASP 9.A N ASP 5.A O no hydrogen 3.057 N/A VAL 10.A N GLN 6.A O no hydrogen 3.158 N/A LEU 11.A N ASP 7.A O no hydrogen 3.313 N/A LEU 12.A N LEU 8.A O no hydrogen 3.105 N/A LYS 13.A N ASP 9.A O no hydrogen 3.102 N/A LYS 13.A NZ ASP 9.A OD1 no hydrogen 3.003 N/A ASN 14.A N VAL 10.A O no hydrogen 2.917 N/A LEU 15.A N VAL 10.A O no hydrogen 3.213 N/A GLY 16.A N LEU 11.A O no hydrogen 2.715 N/A ASN 17.A N ASN 14.A O no hydrogen 3.167 N/A THR 20.A OG1 ASN 17.A OD1 no hydrogen 2.616 N/A LEU 23.A N THR 20.A O no hydrogen 2.843 N/A ARG 24.A N PRO 21.A O no hydrogen 3.136 N/A ARG 24.A NH1 PRO 21.A O no hydrogen 3.076 N/A ARG 24.A NH2 ASP 106.A OD2 no hydrogen 3.045 N/A ALA 26.A N ALA 22.A O no hydrogen 3.024 N/A ALA 27.A N LEU 23.A O no hydrogen 2.870 N/A THR 28.A N ARG 24.A O no hydrogen 2.932 N/A THR 28.A OG1 ARG 24.A O no hydrogen 2.564 N/A LEU 29.A N VAL 25.A O no hydrogen 2.975 N/A ARG 30.A N ALA 27.A O no hydrogen 3.218 N/A LEU 31.A N ALA 26.A O no hydrogen 3.135 N/A HIS 34.A N ARG 30.A O no hydrogen 3.078 N/A HIS 34.A ND1 ARG 30.A O no hydrogen 2.975 N/A LEU 35.A N LEU 31.A O no hydrogen 3.175 N/A LEU 36.A N VAL 32.A O no hydrogen 3.066 N/A ALA 37.A N ASP 33.A O no hydrogen 3.066 N/A GLY 38.A N LEU 35.A O no hydrogen 3.442 N/A ALA 39.A N HIS 34.A O no hydrogen 3.159 N/A GLY 44.A N THR 41.A OG1 no hydrogen 3.123 N/A LEU 45.A N THR 41.A O no hydrogen 3.425 N/A ALA 46.A N LEU 42.A O no hydrogen 3.020 N/A ASP 47.A N ALA 43.A O no hydrogen 3.157 N/A ARG 48.A N GLY 44.A O no hydrogen 2.928 N/A THR 49.A N LEU 45.A O no hydrogen 2.934 N/A THR 49.A OG1 LEU 45.A O no hydrogen 2.915 N/A THR 49.A OG1 ALA 46.A O no hydrogen 3.551 N/A THR 49.A OG1 THR 51.A OG1 no hydrogen 2.693 N/A ASP 50.A N ASP 47.A O no hydrogen 3.286 N/A THR 51.A N ALA 46.A O no hydrogen 3.092 N/A THR 51.A OG1 THR 49.A OG1 no hydrogen 2.693 N/A ALA 55.A N HIS 52.A ND1 no hydrogen 3.385 N/A LEU 56.A N HIS 52.A O no hydrogen 2.785 N/A SER 57.A N PRO 53.A O no hydrogen 3.074 N/A SER 57.A OG GLN 54.A O no hydrogen 2.756 N/A ARG 58.A N GLN 54.A O no hydrogen 3.154 N/A ARG 58.A N ALA 55.A O no hydrogen 3.147 N/A LEU 59.A N ALA 55.A O no hydrogen 3.062 N/A VAL 60.A N LEU 56.A O no hydrogen 2.823 N/A ARG 61.A N SER 57.A O no hydrogen 3.044 N/A HIS 62.A N ARG 58.A O no hydrogen 3.305 N/A LEU 63.A N LEU 59.A O no hydrogen 2.872 N/A THR 64.A N VAL 60.A O no hydrogen 2.813 N/A THR 64.A OG1 VAL 60.A O no hydrogen 2.863 N/A VAL 65.A N ARG 61.A O no hydrogen 2.951 N/A VAL 66.A N HIS 62.A O no hydrogen 3.115 N/A GLY 67.A N THR 64.A O no hydrogen 3.265 N/A VAL 68.A N LEU 63.A O no hydrogen 2.935 N/A LEU 69.A N LEU 63.A O no hydrogen 3.205 N/A GLU 70.A N ARG 77.A O no hydrogen 3.025 N/A GLU 73.A N GLY 71.A O no hydrogen 2.617 N/A ARG 77.A N GLU 70.A O no hydrogen 3.093 N/A ARG 77.A NH1 PRO 75.A O no hydrogen 3.398 N/A THR 79.A N VAL 68.A O no hydrogen 2.997 N/A THR 79.A OG1 GLY 67.A O no hydrogen 2.501 N/A THR 79.A OG1 VAL 68.A O no hydrogen 3.081 N/A GLY 82.A N THR 79.A OG1 no hydrogen 2.920 N/A LEU 84.A N GLY 82.A O no hydrogen 3.076 N/A ASP 86.A N ASP 33.A OD1 no hydrogen 2.979 N/A HIS 88.A N ALA 85.A O no hydrogen 3.078 N/A ALA 90.A N HIS 88.A ND1 no hydrogen 2.872 N/A GLN 91.A N HIS 88.A O no hydrogen 2.965 N/A GLN 92.A NE2 ALA 90.A O no hydrogen 3.017 N/A ARG 93.A NE ASP 86.A OD1 no hydrogen 2.968 N/A ARG 93.A NH1 ALA 27.A O no hydrogen 3.131 N/A ARG 93.A NH1 ASP 97.A OD1 no hydrogen 2.703 N/A ARG 93.A NH2 ASP 86.A OD1 no hydrogen 3.122 N/A TRP 95.A N GLN 91.A O no hydrogen 3.133 N/A LEU 96.A N GLN 92.A O no hydrogen 3.021 N/A ASP 97.A N ALA 94.A O no hydrogen 3.336 N/A LEU 98.A N THR 28.A OG1 no hydrogen 2.894 N/A ASN 99.A N ASP 97.A OD2 no hydrogen 2.844 N/A GLY 100.A N ASP 97.A O no hydrogen 3.028 N/A ALA 101.A N SER 144.A OG no hydrogen 2.977 N/A SER 103.A OG LEU 96.A O no hydrogen 2.712 N/A HIS 104.A N GLY 100.A O no hydrogen 3.116 N/A ALA 105.A N ALA 101.A O no hydrogen 2.962 N/A ASP 106.A N VAL 102.A O no hydrogen 2.769 N/A LEU 107.A N SER 103.A O no hydrogen 3.282 N/A LEU 107.A N HIS 104.A O no hydrogen 3.177 N/A ALA 108.A N ALA 105.A O no hydrogen 2.950 N/A PHE 109.A N ASP 106.A O no hydrogen 3.023 N/A THR 110.A N LEU 107.A O no hydrogen 3.202 N/A THR 110.A OG1 LEU 107.A O no hydrogen 3.286 N/A GLY 111.A N ALA 108.A O no hydrogen 3.140 N/A LEU 112.A N PHE 109.A O no hydrogen 3.036 N/A VAL 115.A N GLY 111.A O no hydrogen 3.335 N/A VAL 116.A N LEU 112.A O no hydrogen 2.947 N/A ARG 117.A NH1 ASP 114.A OD2 no hydrogen 3.447 N/A THR 118.A N ASP 114.A O no hydrogen 3.277 N/A THR 118.A OG1 ASP 114.A O no hydrogen 2.491 N/A GLY 119.A N VAL 115.A O no hydrogen 2.851 N/A ARG 120.A N THR 118.A OG1 no hydrogen 3.184 N/A ALA 122.A N THR 284.A O no hydrogen 2.916 N/A TYR 123.A OH ASP 134.A OD2 no hydrogen 2.597 N/A TYR 127.A N TYR 123.A O no hydrogen 3.024 N/A TYR 127.A OH HIS 104.A O no hydrogen 2.555 N/A GLY 128.A N ALA 124.A O no hydrogen 2.684 N/A ASP 134.A N PRO 130.A O no hydrogen 2.872 N/A LEU 135.A N PHE 131.A O no hydrogen 3.072 N/A SER 136.A N TRP 132.A O no hydrogen 2.990 N/A ALA 137.A N GLU 133.A O no hydrogen 3.037 N/A ALA 137.A N ASP 134.A O no hydrogen 3.058 N/A ASP 138.A N ASP 134.A O no hydrogen 2.813 N/A LEU 141.A N ASP 138.A O no hydrogen 3.292 N/A LEU 141.A N ASP 138.A OD2 no hydrogen 3.211 N/A ALA 142.A N ASP 138.A O no hydrogen 3.245 N/A ASP 143.A N VAL 139.A O no hydrogen 2.926 N/A SER 144.A N ALA 140.A O no hydrogen 3.412 N/A SER 144.A OG LEU 141.A O no hydrogen 3.096 N/A PHE 145.A N LEU 141.A O no hydrogen 3.165 N/A ASP 146.A N ALA 142.A O no hydrogen 3.054 N/A ALA 147.A N ASP 143.A O no hydrogen 3.033 N/A LEU 148.A N SER 144.A O no hydrogen 3.084 N/A SER 149.A OG ASP 146.A O no hydrogen 2.999 N/A SER 149.A OG ALA 147.A O no hydrogen 3.549 N/A SER 149.A OG ASN 169.A OD1 no hydrogen 2.772 N/A TYR 154.A OH GLU 325.A OE2 no hydrogen 2.928 N/A SER 157.A OG ASP 155.A OD1 no hydrogen 3.073 N/A VAL 159.A N TRP 156.A O no hydrogen 3.125 N/A ARG 160.A N ASP 225.A OD2 no hydrogen 3.110 N/A VAL 162.A N ARG 183.A O no hydrogen 2.977 N/A LEU 163.A N VAL 226.A O no hydrogen 2.797 N/A ASP 164.A N THR 185.A O no hydrogen 2.921 N/A VAL 165.A N LEU 228.A O no hydrogen 2.945 N/A GLY 166.A N VAL 187.A O no hydrogen 2.752 N/A GLY 168.A N GLU 188.A OE2 no hydrogen 2.878 N/A GLY 170.A N GLY 167.A O no hydrogen 3.069 N/A ALA 173.A N GLY 170.A O no hydrogen 3.026 N/A ALA 174.A N GLY 171.A O no hydrogen 3.001 N/A ALA 176.A N LEU 172.A O no hydrogen 2.949 N/A LEU 177.A N ALA 173.A O no hydrogen 2.992 N/A ARG 178.A N ALA 174.A O no hydrogen 3.184 N/A ALA 179.A N ILE 175.A O no hydrogen 2.989 N/A HIS 181.A NE2 TRP 156.A O no hydrogen 2.810 N/A LEU 182.A N ALA 179.A O no hydrogen 3.183 N/A ARG 183.A N ARG 160.A O no hydrogen 2.861 N/A GLY 184.A N ARG 208.A O no hydrogen 2.820 N/A THR 185.A N VAL 162.A O no hydrogen 2.854 N/A LEU 186.A N THR 210.A O no hydrogen 3.018 N/A VAL 187.A N ASP 164.A O no hydrogen 3.060 N/A LEU 189.A N GLU 188.A OE1 no hydrogen 2.813 N/A ALA 193.A N LEU 189.A O no hydrogen 3.022 N/A GLU 194.A N ALA 190.A O no hydrogen 3.235 N/A ARG 195.A N GLY 191.A O no hydrogen 3.188 N/A ARG 195.A NH1 ASP 143.A O no hydrogen 3.386 N/A ALA 196.A N PRO 192.A O no hydrogen 2.932 N/A ARG 197.A N ALA 193.A O no hydrogen 3.036 N/A ARG 197.A NH1 GLU 194.A OE1 no hydrogen 3.186 N/A ARG 198.A N GLU 194.A O no hydrogen 2.999 N/A ARG 198.A NE GLU 194.A OE2 no hydrogen 2.916 N/A ARG 198.A NH2 GLU 194.A OE2 no hydrogen 3.505 N/A ARG 199.A N ARG 195.A O no hydrogen 3.091 N/A PHE 200.A N ALA 196.A O no hydrogen 3.038 N/A ALA 201.A N ARG 197.A O no hydrogen 3.090 N/A ASP 202.A N ARG 198.A O no hydrogen 2.934 N/A ALA 203.A N ARG 199.A O no hydrogen 3.009 N/A ALA 203.A N PHE 200.A O no hydrogen 3.262 N/A GLY 204.A N PHE 200.A O no hydrogen 3.131 N/A LEU 205.A N PHE 200.A O no hydrogen 2.887 N/A ARG 208.A N LEU 205.A O no hydrogen 3.280 N/A ARG 208.A NH1 ALA 176.A O no hydrogen 3.224 N/A ARG 208.A NH1 ALA 179.A O no hydrogen 3.416 N/A ARG 208.A NH1 LEU 182.A O no hydrogen 2.978 N/A ARG 208.A NH2 ALA 176.A O no hydrogen 2.820 N/A VAL 209.A N LEU 205.A O no hydrogen 2.905 N/A THR 210.A N GLY 184.A O no hydrogen 3.136 N/A ALA 212.A N LEU 186.A O no hydrogen 2.842 N/A GLY 214.A N GLU 188.A O no hydrogen 3.097 N/A PHE 217.A N ASP 215.A OD1 no hydrogen 2.930 N/A LYS 218.A N ASP 215.A O no hydrogen 3.102 N/A THR 223.A OG1 GLU 253.A OE2 no hydrogen 2.527 N/A ALA 224.A N ALA 251.A O no hydrogen 2.968 N/A VAL 226.A N HIS 161.A O no hydrogen 3.032 N/A VAL 227.A N ARG 257.A O no hydrogen 3.143 N/A LEU 228.A N LEU 163.A O no hydrogen 2.740 N/A LEU 229.A N LEU 259.A O no hydrogen 2.850 N/A PHE 231.A N LEU 261.A O no hydrogen 2.746 N/A ASN 235.A N VAL 232.A O no hydrogen 3.061 N/A TRP 236.A N LEU 233.A O no hydrogen 3.036 N/A SER 237.A OG ASP 240.A OD2 no hydrogen 3.438 N/A ASP 240.A N SER 237.A OG no hydrogen 3.301 N/A ALA 241.A N SER 237.A O no hydrogen 2.928 N/A LEU 242.A N ASP 238.A O no hydrogen 2.922 N/A THR 243.A N GLU 239.A O no hydrogen 3.236 N/A ILE 244.A N ASP 240.A O no hydrogen 3.122 N/A LEU 245.A N ALA 241.A O no hydrogen 2.848 N/A ARG 246.A N LEU 242.A O no hydrogen 2.966 N/A ARG 246.A NH2 SER 301.A O no hydrogen 3.099 N/A GLY 247.A N THR 243.A O no hydrogen 3.331 N/A CYS 248.A N ILE 244.A O no hydrogen 2.927 N/A CYS 248.A SG ILE 244.A O no hydrogen 3.242 N/A VAL 249.A N LEU 245.A O no hydrogen 2.868 N/A ARG 250.A N ARG 246.A O no hydrogen 3.102 N/A ALA 251.A N GLY 247.A O no hydrogen 3.327 N/A LEU 252.A N VAL 249.A O no hydrogen 3.130 N/A GLU 253.A N ALA 224.A O no hydrogen 3.146 N/A GLY 256.A N GLU 253.A O no hydrogen 2.802 N/A ARG 257.A N ASP 225.A O no hydrogen 3.065 N/A ARG 257.A NH1 GLY 256.A O no hydrogen 3.539 N/A LEU 258.A N PHE 326.A O no hydrogen 2.854 N/A LEU 259.A N VAL 227.A O no hydrogen 2.830 N/A VAL 260.A N LEU 324.A O no hydrogen 2.936 N/A LEU 261.A N LEU 229.A O no hydrogen 2.910 N/A ASP 262.A N SER 322.A O no hydrogen 3.258 N/A ARG 263.A N ASP 262.A OD1 no hydrogen 3.006 N/A ARG 263.A NE ASP 265.A OD1 no hydrogen 3.068 N/A ARG 263.A NH1 ASP 320.A O no hydrogen 2.823 N/A ARG 263.A NH2 SER 276.A OG no hydrogen 3.145 N/A VAL 266.A N ASP 269.A OD1 no hydrogen 2.592 N/A ASP 269.A N VAL 266.A O no hydrogen 2.924 N/A ARG 273.A NH1 ALA 271.A O no hydrogen 2.850 N/A ARG 273.A NH2 VAL 266.A O no hydrogen 3.002 N/A PHE 274.A N ASP 272.A OD1 no hydrogen 3.017 N/A PHE 275.A N ASP 272.A O no hydrogen 3.234 N/A SER 276.A OG ASP 265.A OD1 no hydrogen 3.454 N/A SER 276.A OG ASP 265.A OD2 no hydrogen 2.467 N/A THR 277.A N ARG 273.A O no hydrogen 2.991 N/A THR 277.A OG1 ARG 273.A O no hydrogen 2.867 N/A THR 277.A OG1 PHE 274.A O no hydrogen 3.091 N/A LEU 278.A N PHE 274.A O no hydrogen 2.980 N/A LEU 279.A N PHE 275.A O no hydrogen 3.228 N/A ASP 280.A N SER 276.A O no hydrogen 3.108 N/A LEU 281.A N THR 277.A O no hydrogen 2.785 N/A ARG 282.A N LEU 278.A O no hydrogen 2.966 N/A ARG 282.A NE ASP 106.A OD1 no hydrogen 3.091 N/A ARG 282.A NH2 ASP 106.A OD1 no hydrogen 3.376 N/A THR 284.A N LEU 281.A O no hydrogen 2.808 N/A THR 284.A OG1 LEU 281.A O no hydrogen 2.826 N/A PHE 285.A N ARG 282.A O no hydrogen 2.905 N/A VAL 289.A N ASP 280.A OD1 no hydrogen 3.139 N/A ARG 290.A NH2 TRP 236.A O no hydrogen 3.252 N/A THR 291.A N GLU 294.A OE1 no hydrogen 3.420 N/A ARG 292.A N ASP 265.A O no hydrogen 2.896 N/A ARG 292.A NE GLU 309.A OE1 no hydrogen 2.906 N/A ARG 292.A NH1 ASP 293.A OD1 no hydrogen 3.278 N/A ARG 292.A NH2 GLU 309.A OE2 no hydrogen 3.040 N/A GLU 294.A N THR 291.A OG1 no hydrogen 3.205 N/A VAL 295.A N THR 291.A O no hydrogen 2.940 N/A VAL 296.A N ARG 292.A O no hydrogen 2.891 N/A ASP 297.A N ASP 293.A O no hydrogen 2.749 N/A LEU 298.A N GLU 294.A O no hydrogen 2.973 N/A ALA 299.A N VAL 295.A O no hydrogen 2.865 N/A GLY 300.A N VAL 296.A O no hydrogen 3.037 N/A SER 301.A N ASP 297.A O no hydrogen 3.356 N/A SER 301.A N LEU 298.A O no hydrogen 3.135 N/A ALA 302.A N ALA 299.A O no hydrogen 3.109 N/A GLY 303.A N GLY 300.A O no hydrogen 2.948 N/A LEU 304.A N ALA 299.A O no hydrogen 2.878 N/A ALA 305.A N THR 327.A O no hydrogen 3.139 N/A ALA 307.A N GLU 325.A O no hydrogen 2.813 N/A SER 308.A OG GLU 325.A OE1 no hydrogen 2.486 N/A ARG 310.A N ILE 323.A O no hydrogen 3.017 N/A SER 312.A N PHE 321.A O no hydrogen 2.892 N/A SER 314.A N PHE 319.A O no hydrogen 3.311 N/A THR 316.A N SER 314.A OG no hydrogen 3.302 N/A THR 316.A OG1 SER 314.A OG no hydrogen 3.237 N/A LEU 317.A N SER 314.A OG no hydrogen 3.307 N/A PHE 321.A N SER 312.A O no hydrogen 3.128 N/A SER 322.A N ASP 262.A O no hydrogen 2.901 N/A ILE 323.A N ARG 310.A O no hydrogen 2.779 N/A LEU 324.A N VAL 260.A O no hydrogen 2.871 N/A GLU 325.A N SER 308.A O no hydrogen 2.837 N/A PHE 326.A N LEU 258.A O no hydrogen 2.766 N/A THR 327.A N ALA 305.A O no hydrogen 2.962 N/A VAL 329.A N GLY 303.A O no hydrogen 3.082 N/A