Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3the_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N GLU 39.A O no hydrogen 2.670 N/A ARG 1.A NH1 THR 2.A OG1 no hydrogen 3.394 N/A THR 2.A OG1 GLY 86.A O no hydrogen 3.319 N/A ILE 3.A N ASP 41.A O no hydrogen 2.927 N/A GLY 4.A N ILE 88.A O no hydrogen 2.887 N/A ILE 5.A N LYS 43.A O no hydrogen 2.819 N/A ILE 6.A N LEU 90.A O no hydrogen 2.836 N/A GLY 7.A N GLY 46.A O no hydrogen 2.906 N/A ALA 8.A N LEU 92.A O no hydrogen 2.607 N/A GLY 13.A N ASP 95.A OD2 no hydrogen 2.743 N/A GLN 14.A N SER 11.A O no hydrogen 3.145 N/A GLN 14.A NE2 SER 11.A O no hydrogen 2.742 N/A GLN 14.A NE2 ARG 16.A O no hydrogen 2.792 N/A ARG 16.A N GLN 14.A OE1 no hydrogen 3.142 N/A GLY 18.A N GLU 20.A OE1 no hydrogen 2.467 N/A GLU 20.A N GLU 20.A OE1 no hydrogen 2.650 N/A GLU 21.A N GLY 18.A O no hydrogen 3.217 N/A GLY 22.A N VAL 19.A O no hydrogen 3.037 N/A VAL 25.A N GLU 21.A O no hydrogen 2.998 N/A LEU 26.A N GLY 22.A O no hydrogen 2.979 N/A ARG 27.A N PRO 23.A O no hydrogen 2.964 N/A ARG 27.A NE ASP 44.A OD2 no hydrogen 2.745 N/A ARG 27.A NH1 ASP 47.A OD2 no hydrogen 3.324 N/A ARG 27.A NH2 ASP 44.A OD1 no hydrogen 2.834 N/A ARG 27.A NH2 ASP 44.A OD2 no hydrogen 3.116 N/A LYS 28.A N THR 24.A O no hydrogen 2.713 N/A ALA 29.A N VAL 25.A O no hydrogen 3.080 N/A GLY 30.A N ARG 27.A O no hydrogen 2.877 N/A LEU 31.A N LEU 26.A O no hydrogen 3.394 N/A LYS 34.A N GLY 30.A O no hydrogen 2.871 N/A LEU 35.A N LEU 31.A O no hydrogen 3.041 N/A LYS 36.A N LEU 32.A O no hydrogen 3.096 N/A GLU 37.A N GLU 33.A O no hydrogen 3.061 N/A GLN 38.A N LYS 34.A O no hydrogen 3.273 N/A GLN 38.A NE2 LEU 296.A O no hydrogen 2.864 N/A GLN 38.A NE2 PHE 299.A O no hydrogen 2.562 N/A CYS 40.A SG PHE 299.A O no hydrogen 3.738 N/A ASP 41.A N ARG 1.A O no hydrogen 3.322 N/A LYS 43.A N ILE 3.A O no hydrogen 3.052 N/A TYR 45.A N ILE 5.A O no hydrogen 2.767 N/A GLY 46.A N ASP 44.A OD1 no hydrogen 2.460 N/A LEU 48.A N GLY 7.A O no hydrogen 2.731 N/A ASP 56.A N ILE 53.A O no hydrogen 3.227 N/A ASP 56.A N PRO 54.A O no hydrogen 2.520 N/A SER 57.A N ASN 55.A O no hydrogen 2.223 N/A SER 57.A OG PRO 58.A O no hydrogen 3.567 N/A PHE 59.A N VAL 62.A O no hydrogen 2.728 N/A VAL 62.A N PHE 59.A O no hydrogen 2.812 N/A LYS 63.A N GLY 133.A O no hydrogen 3.169 N/A LYS 63.A NZ SER 132.A O no hydrogen 2.625 N/A ASN 64.A ND2 LYS 12.A O no hydrogen 3.324 N/A ARG 66.A NH1 SER 57.A O no hydrogen 2.797 N/A SER 67.A N ASP 56.A OD1 no hydrogen 2.973 N/A VAL 68.A N ASN 64.A O no hydrogen 2.866 N/A GLY 69.A N PRO 65.A O no hydrogen 2.744 N/A LYS 70.A N ARG 66.A O no hydrogen 2.863 N/A LYS 70.A NZ GLU 73.A OE1 no hydrogen 3.142 N/A ALA 71.A N SER 67.A O no hydrogen 2.799 N/A SER 72.A N VAL 68.A O no hydrogen 3.021 N/A SER 72.A OG SER 97.A O no hydrogen 3.330 N/A GLU 73.A N GLY 69.A O no hydrogen 2.875 N/A GLN 74.A N LYS 70.A O no hydrogen 2.961 N/A GLN 74.A NE2 LYS 70.A O no hydrogen 3.596 N/A LEU 75.A N ALA 71.A O no hydrogen 3.037 N/A ALA 76.A N SER 72.A O no hydrogen 2.797 N/A GLY 77.A N GLU 73.A O no hydrogen 3.319 N/A LYS 78.A N GLN 74.A O no hydrogen 3.077 N/A LYS 78.A NZ GLU 81.A OE1 no hydrogen 2.845 N/A VAL 79.A N LEU 75.A O no hydrogen 2.824 N/A ALA 80.A N ALA 76.A O no hydrogen 2.943 N/A GLU 81.A N GLY 77.A O no hydrogen 3.099 N/A VAL 82.A N LYS 78.A O no hydrogen 3.026 N/A LYS 83.A N VAL 79.A O no hydrogen 2.893 N/A LYS 83.A NZ ARG 87.A O no hydrogen 2.945 N/A LYS 83.A NZ SER 266.A O no hydrogen 2.830 N/A LYS 84.A N ALA 80.A O no hydrogen 3.090 N/A LYS 84.A N GLU 81.A O no hydrogen 3.184 N/A ASN 85.A N GLU 81.A O no hydrogen 3.172 N/A ASN 85.A N VAL 82.A O no hydrogen 3.133 N/A GLY 86.A N LYS 83.A O no hydrogen 3.343 N/A ARG 87.A N VAL 82.A O no hydrogen 3.099 N/A ARG 87.A NH1 ASP 41.A O no hydrogen 2.831 N/A ARG 87.A NH2 ASP 41.A OD2 no hydrogen 2.623 N/A ILE 88.A N THR 2.A O no hydrogen 3.075 N/A SER 89.A N SER 266.A O no hydrogen 3.410 N/A LEU 90.A N GLY 4.A O no hydrogen 2.903 N/A VAL 91.A N LEU 268.A O no hydrogen 2.815 N/A LEU 92.A N ILE 6.A O no hydrogen 2.970 N/A GLY 93.A N ILE 270.A O no hydrogen 3.327 N/A ASP 95.A N PHE 10.A O no hydrogen 3.204 N/A HIS 96.A N GLU 272.A OE2 no hydrogen 2.598 N/A HIS 96.A NE2 SER 225.A OG no hydrogen 2.696 N/A SER 97.A N ASP 95.A OD1 no hydrogen 3.025 N/A SER 97.A OG ASP 95.A OD1 no hydrogen 2.481 N/A LEU 98.A N ASP 95.A O no hydrogen 3.470 N/A ALA 99.A N HIS 96.A O no hydrogen 2.909 N/A ILE 100.A N SER 97.A O no hydrogen 2.931 N/A SER 102.A N LEU 98.A O no hydrogen 3.023 N/A SER 102.A OG ASP 269.A OD1 no hydrogen 2.587 N/A SER 102.A OG ASP 269.A OD2 no hydrogen 3.429 N/A ILE 103.A N ALA 99.A O no hydrogen 3.044 N/A SER 104.A N ILE 100.A O no hydrogen 3.115 N/A SER 104.A OG ILE 100.A O no hydrogen 2.794 N/A GLY 105.A N GLY 101.A O no hydrogen 2.865 N/A HIS 106.A N SER 102.A O no hydrogen 2.977 N/A HIS 106.A ND1 HIS 223.A ND1 no hydrogen 3.093 N/A HIS 106.A NE2 SER 266.A OG no hydrogen 2.868 N/A ALA 107.A N ILE 103.A O no hydrogen 2.725 N/A ARG 108.A N SER 104.A O no hydrogen 3.228 N/A ARG 108.A N GLY 105.A O no hydrogen 3.321 N/A VAL 109.A N HIS 106.A O no hydrogen 3.191 N/A HIS 110.A N HIS 106.A O no hydrogen 2.924 N/A ASP 112.A N ASP 112.A OD1 no hydrogen 2.609 N/A LEU 113.A N HIS 110.A O no hydrogen 3.146 N/A GLY 114.A N PRO 221.A O no hydrogen 2.885 N/A VAL 115.A N ASP 168.A O no hydrogen 2.884 N/A ILE 116.A N HIS 223.A O no hydrogen 2.876 N/A TRP 117.A N VAL 170.A O no hydrogen 2.770 N/A TRP 117.A NE1 ASP 119.A OD2 no hydrogen 3.136 N/A VAL 118.A N SER 225.A O no hydrogen 3.049 N/A ASP 119.A N ILE 172.A O no hydrogen 3.293 N/A ALA 120.A N ASP 229.A OD2 no hydrogen 3.252 N/A HIS 121.A N ASP 119.A OD1 no hydrogen 2.696 N/A HIS 121.A ND1 ASP 119.A OD1 no hydrogen 3.141 N/A THR 122.A OG1 GLU 181.A OE2 no hydrogen 2.631 N/A ILE 124.A N GLU 181.A OE2 no hydrogen 3.051 N/A ASN 125.A N GLY 137.A O no hydrogen 3.180 N/A ASN 125.A ND2 ASP 178.A OD2 no hydrogen 3.150 N/A THR 126.A N THR 129.A OG1 no hydrogen 2.600 N/A LEU 128.A N THR 126.A OG1 no hydrogen 2.801 N/A THR 129.A N THR 126.A O no hydrogen 3.006 N/A THR 129.A N THR 126.A OG1 no hydrogen 2.896 N/A THR 129.A OG1 ASN 125.A OD1 no hydrogen 3.045 N/A THR 129.A OG1 THR 126.A O no hydrogen 3.409 N/A THR 130.A N THR 126.A O no hydrogen 2.918 N/A SER 132.A N THR 130.A OG1 no hydrogen 3.339 N/A GLY 133.A N THR 130.A OG1 no hydrogen 2.982 N/A ASN 134.A N SER 132.A OG no hydrogen 3.152 N/A HIS 136.A N GLY 13.A O no hydrogen 3.043 N/A GLY 137.A N ASN 134.A O no hydrogen 3.258 N/A GLN 138.A N LEU 135.A O no hydrogen 3.049 N/A GLN 138.A NE2 ASN 134.A O no hydrogen 3.326 N/A VAL 140.A N ASP 123.A O no hydrogen 3.026 N/A SER 141.A N GLN 138.A O no hydrogen 2.866 N/A SER 141.A OG ASN 125.A O no hydrogen 2.978 N/A SER 141.A OG GLN 138.A O no hydrogen 2.556 N/A PHE 142.A N PRO 139.A O no hydrogen 3.027 N/A LEU 143.A N VAL 140.A O no hydrogen 3.262 N/A LEU 144.A N VAL 140.A O no hydrogen 3.299 N/A LYS 145.A N ILE 164.A O no hydrogen 2.970 N/A GLU 146.A N GLU 146.A OE1 no hydrogen 2.684 N/A LEU 147.A N LEU 144.A O no hydrogen 3.365 N/A LYS 148.A N LYS 145.A O no hydrogen 2.795 N/A GLY 149.A N LEU 147.A O no hydrogen 2.850 N/A LYS 150.A N LEU 147.A O no hydrogen 3.153 N/A PHE 157.A N VAL 154.A O no hydrogen 3.107 N/A TRP 159.A NE1 GLY 156.A O no hydrogen 2.895 N/A VAL 160.A N PHE 157.A O no hydrogen 2.877 N/A ILE 164.A N LEU 143.A O no hydrogen 3.088 N/A SER 165.A OG GLU 146.A OE2 no hydrogen 3.122 N/A ALA 166.A N GLU 146.A OE1 no hydrogen 2.910 N/A LYS 167.A N SER 165.A OG no hydrogen 3.339 N/A LYS 167.A NZ SER 165.A OG no hydrogen 2.953 N/A ASP 168.A N SER 165.A O no hydrogen 2.839 N/A VAL 170.A N VAL 115.A O no hydrogen 2.872 N/A TYR 171.A N LYS 191.A O no hydrogen 3.185 N/A TYR 171.A OH THR 122.A O no hydrogen 2.648 N/A ILE 172.A N TRP 117.A O no hydrogen 3.018 N/A GLY 173.A N PHE 193.A O no hydrogen 2.906 N/A ARG 175.A N ALA 120.A O no hydrogen 2.955 N/A ARG 175.A NE VAL 243.A O no hydrogen 2.969 N/A ARG 175.A NE VAL 244.A O no hydrogen 3.266 N/A ARG 175.A NH1 GLY 173.A O no hydrogen 3.073 N/A ARG 175.A NH1 GLY 230.A O no hydrogen 2.905 N/A ARG 175.A NH2 ASP 229.A O no hydrogen 2.809 N/A ARG 175.A NH2 GLY 230.A O no hydrogen 3.396 N/A ARG 175.A NH2 LEU 231.A O no hydrogen 3.176 N/A ARG 175.A NH2 VAL 243.A O no hydrogen 2.801 N/A ASP 176.A N ALA 120.A O no hydrogen 3.068 N/A ASP 178.A N GLU 181.A OE1 no hydrogen 2.911 N/A HIS 182.A N ASP 178.A O no hydrogen 2.803 N/A TYR 183.A N PRO 179.A O no hydrogen 3.062 N/A ILE 184.A N GLY 180.A O no hydrogen 3.396 N/A LEU 185.A N GLU 181.A O no hydrogen 2.782 N/A LYS 186.A N HIS 182.A O no hydrogen 2.886 N/A THR 187.A N TYR 183.A O no hydrogen 2.798 N/A THR 187.A OG1 TYR 183.A O no hydrogen 2.728 N/A LEU 188.A N ILE 184.A O no hydrogen 2.787 N/A GLY 189.A N LYS 186.A O no hydrogen 2.838 N/A ILE 190.A N LEU 185.A O no hydrogen 3.261 N/A PHE 193.A N TYR 171.A O no hydrogen 2.970 N/A SER 194.A N GLU 197.A OE2 no hydrogen 2.629 N/A SER 194.A OG GLU 197.A OE2 no hydrogen 2.453 N/A MET 195.A N LEU 174.A O no hydrogen 2.972 N/A THR 196.A N SER 194.A OG no hydrogen 3.057 N/A VAL 198.A N SER 194.A O no hydrogen 2.957 N/A ASP 199.A N MET 195.A O no hydrogen 2.810 N/A ARG 200.A N THR 196.A O no hydrogen 2.950 N/A ARG 200.A NH2 GLU 197.A OE1 no hydrogen 3.174 N/A LEU 201.A N GLU 197.A O no hydrogen 2.906 N/A GLY 202.A N VAL 198.A O no hydrogen 2.861 N/A VAL 206.A N GLY 202.A O no hydrogen 2.985 N/A MET 207.A N ILE 203.A O no hydrogen 2.895 N/A GLU 208.A N GLY 204.A O no hydrogen 2.987 N/A GLU 209.A N LYS 205.A O no hydrogen 2.817 N/A THR 210.A N VAL 206.A O no hydrogen 2.928 N/A THR 210.A OG1 VAL 206.A O no hydrogen 2.788 N/A LEU 211.A N MET 207.A O no hydrogen 2.998 N/A SER 212.A N GLU 208.A O no hydrogen 2.952 N/A TYR 213.A N GLU 209.A O no hydrogen 3.181 N/A LEU 214.A N THR 210.A O no hydrogen 3.236 N/A LEU 215.A N LEU 211.A O no hydrogen 2.891 N/A ARG 220.A NE ASP 112.A O no hydrogen 2.751 N/A ARG 220.A NH1 LEU 214.A O no hydrogen 2.534 N/A ARG 220.A NH2 LEU 113.A O no hydrogen 3.015 N/A ARG 220.A NH2 ASP 168.A OD1 no hydrogen 2.766 N/A ILE 222.A N LEU 264.A O no hydrogen 2.804 N/A HIS 223.A N GLY 114.A O no hydrogen 2.860 N/A HIS 223.A ND1 HIS 106.A ND1 no hydrogen 3.093 N/A HIS 223.A NE2 ASP 269.A OD2 no hydrogen 2.736 N/A LEU 224.A N GLY 267.A O no hydrogen 2.817 N/A SER 225.A N ILE 116.A O no hydrogen 2.920 N/A SER 225.A OG HIS 96.A NE2 no hydrogen 2.696 N/A SER 225.A OG ASP 269.A OD2 no hydrogen 3.292 N/A PHE 226.A N ASP 269.A O no hydrogen 2.918 N/A ASP 227.A N VAL 118.A O no hydrogen 2.874 N/A VAL 228.A N MET 271.A O no hydrogen 3.130 N/A ASP 229.A N ASP 227.A OD1 no hydrogen 2.825 N/A GLY 230.A N ASP 227.A O no hydrogen 2.778 N/A LEU 231.A N VAL 228.A O no hydrogen 3.405 N/A ASP 232.A N LEU 247.A O no hydrogen 2.841 N/A SER 234.A N ASP 232.A OD1 no hydrogen 2.973 N/A SER 234.A OG ASP 232.A OD1 no hydrogen 3.055 N/A PHE 235.A N ASP 232.A O no hydrogen 2.792 N/A THR 236.A N ASP 232.A O no hydrogen 3.310 N/A THR 236.A OG1 VAL 228.A O no hydrogen 2.685 N/A ALA 238.A N THR 287.A OG1 no hydrogen 2.915 N/A THR 239.A N PRO 237.A O no hydrogen 2.855 N/A THR 239.A OG1 GLU 272.A O no hydrogen 2.771 N/A THR 241.A OG1 ASP 229.A OD1 no hydrogen 2.969 N/A GLY 245.A N ASP 232.A OD2 no hydrogen 2.707 N/A GLY 246.A N ASP 232.A OD2 no hydrogen 2.990 N/A LEU 247.A N GLY 230.A O no hydrogen 3.219 N/A THR 248.A N GLU 251.A OE1 no hydrogen 2.985 N/A GLU 251.A N THR 248.A OG1 no hydrogen 3.154 N/A GLY 252.A N THR 248.A O no hydrogen 2.931 N/A LEU 253.A N TYR 249.A O no hydrogen 2.958 N/A TYR 254.A N ARG 250.A O no hydrogen 2.816 N/A ILE 255.A N GLU 251.A O no hydrogen 2.997 N/A THR 256.A N GLY 252.A O no hydrogen 3.440 N/A THR 256.A OG1 GLY 252.A O no hydrogen 3.149 N/A THR 256.A OG1 LEU 253.A O no hydrogen 3.082 N/A GLU 257.A N LEU 253.A O no hydrogen 3.064 N/A GLU 258.A N TYR 254.A O no hydrogen 3.127 N/A ILE 259.A N ILE 255.A O no hydrogen 3.097 N/A TYR 260.A N THR 256.A O no hydrogen 2.805 N/A LYS 261.A N GLU 257.A O no hydrogen 3.063 N/A THR 262.A N ILE 259.A O no hydrogen 3.138 N/A THR 262.A OG1 ILE 259.A O no hydrogen 2.628 N/A GLY 263.A N TYR 260.A O no hydrogen 3.064 N/A LEU 264.A N THR 262.A OG1 no hydrogen 2.920 N/A SER 266.A N ILE 222.A O no hydrogen 2.682 N/A SER 266.A OG HIS 106.A NE2 no hydrogen 2.868 N/A GLY 267.A N ILE 222.A O no hydrogen 3.220 N/A LEU 268.A N SER 89.A O no hydrogen 2.773 N/A ASP 269.A N LEU 224.A O no hydrogen 2.819 N/A ILE 270.A N VAL 91.A O no hydrogen 2.941 N/A MET 271.A N PHE 226.A O no hydrogen 2.927 N/A GLU 272.A N GLY 94.A O no hydrogen 2.850 N/A ASN 274.A N ALA 238.A O no hydrogen 2.995 N/A ASN 274.A ND2 GLY 17.A O no hydrogen 3.016 N/A SER 276.A N ASN 274.A OD1 no hydrogen 2.915 N/A LEU 277.A N ASN 274.A O no hydrogen 3.015 N/A LYS 279.A N GLU 283.A OE1 no hydrogen 2.808 N/A GLU 283.A N THR 280.A OG1 no hydrogen 3.152 N/A VAL 284.A N THR 280.A O no hydrogen 3.423 N/A VAL 284.A N PRO 281.A O no hydrogen 2.914 N/A THR 285.A N PRO 281.A O no hydrogen 3.044 N/A THR 285.A OG1 GLU 282.A O no hydrogen 2.610 N/A ARG 286.A N GLU 282.A O no hydrogen 2.802 N/A ARG 286.A NE GLU 282.A OE2 no hydrogen 3.437 N/A ARG 286.A NH1 SER 234.A O no hydrogen 2.674 N/A ARG 286.A NH2 GLU 282.A OE1 no hydrogen 2.558 N/A THR 287.A N GLU 283.A O no hydrogen 3.143 N/A THR 287.A OG1 GLU 283.A O no hydrogen 2.865 N/A VAL 288.A N VAL 284.A O no hydrogen 2.990 N/A ASN 289.A N THR 285.A O no hydrogen 2.773 N/A THR 290.A N ARG 286.A O no hydrogen 2.985 N/A THR 290.A OG1 PHE 235.A O no hydrogen 3.373 N/A THR 290.A OG1 ARG 286.A O no hydrogen 2.989 N/A ALA 291.A N THR 287.A O no hydrogen 3.060 N/A VAL 292.A N VAL 288.A O no hydrogen 3.003 N/A ALA 293.A N ASN 289.A O no hydrogen 3.044 N/A ILE 294.A N THR 290.A O no hydrogen 3.069 N/A THR 295.A N ALA 291.A O no hydrogen 3.117 N/A THR 295.A OG1 ALA 291.A O no hydrogen 2.894 N/A LEU 296.A N VAL 292.A O no hydrogen 2.826 N/A ALA 297.A N ALA 293.A O no hydrogen 3.136 N/A CYS 298.A N ILE 294.A O no hydrogen 3.208 N/A CYS 298.A N THR 295.A O no hydrogen 2.984 N/A CYS 298.A SG ILE 294.A O no hydrogen 3.337 N/A PHE 299.A N LEU 296.A O no hydrogen 3.120 N/A GLY 300.A N ALA 297.A O no hydrogen 3.444 N/A LEU 301.A N LEU 296.A O no hydrogen 3.081 N/A ALA 302.A N ASN 306.A OD1 no hydrogen 2.912 N/A ARG 303.A N GLU 257.A OE2 no hydrogen 3.123 N/A ARG 303.A NE GLU 257.A OE1 no hydrogen 3.244 N/A ARG 303.A NE GLU 257.A OE2 no hydrogen 3.093 N/A ARG 303.A NH1 ARG 250.A O no hydrogen 3.543 N/A ARG 303.A NH2 GLU 257.A OE1 no hydrogen 2.705 N/A GLY 305.A N ALA 302.A O no hydrogen 3.169 N/A ASN 306.A ND2 GLY 300.A O no hydrogen 2.970 N/A HIS 307.A ND1 LYS 308.A O no hydrogen 2.810 N/A LYS 308.A N TYR 312.A OH no hydrogen 3.177 N/A ILE 310.A N LYS 308.A O no hydrogen 3.239 N/A