Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nre_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N ASP 17.A OD1 no hydrogen 2.930 N/A THR 2.A OG1 GLY 1.A O.A no hydrogen 3.525 N/A THR 2.A OG1 ASP 17.A OD2 no hydrogen 3.035 N/A TYR 4.A N VAL 15.A O no hydrogen 2.791 N/A THR 5.A OG1 ASP 14.A OD1 no hydrogen 2.758 N/A LEU 6.A N LEU 13.A O no hydrogen 2.853 N/A SER 7.A N ASP 98.A O no hydrogen 2.916 N/A HIS 8.A N LEU 11.A O no hydrogen 2.986 N/A SER 10.A OG.B ASP 28.A OD1 no hydrogen 3.450 N/A LEU 11.A N HIS 8.A O no hydrogen 2.985 N/A LYS 12.A N TRP 26.A O no hydrogen 2.972 N/A LEU 13.A N LEU 6.A O no hydrogen 2.925 N/A ASP 14.A N GLY 24.A O no hydrogen 2.924 N/A VAL 15.A N TYR 4.A O no hydrogen 2.874 N/A SER 16.A N VAL 21.A O no hydrogen 2.787 N/A ASP 17.A N THR 2.A O no hydrogen 3.085 N/A GLN 18.A N SER 16.A OG no hydrogen 2.909 N/A GLN 18.A NE2 ASP 17.A OD1 no hydrogen 2.992 N/A GLN 18.A NE2 GLU 90.A OE1.A no hydrogen 2.991 N/A GLN 18.A NE2 GLU 90.A OE1.B no hydrogen 3.481 N/A GLY 19.A N GLY 89.A O no hydrogen 2.723 N/A ILE 22.A N CYS 47.A O no hydrogen 2.968 N/A GLU 23.A N ASP 14.A O no hydrogen 2.741 N/A GLY 24.A N ASP 14.A O no hydrogen 3.411 N/A TRP 26.A N LYS 12.A O no hydrogen 2.917 N/A ARG 27.A N THR 30.A O no hydrogen 2.944 N/A ASP 28.A N SER 10.A O no hydrogen 2.783 N/A THR 30.A N ARG 27.A O no hydrogen 2.920 N/A LEU 32.A N PHE 25.A O no hydrogen 2.796 N/A LEU 33.A N PHE 25.A O no hydrogen 3.443 N/A ARG 34.A N TYR 150.A O no hydrogen 2.869 N/A ARG 34.A NE ALA 45.A O no hydrogen 3.330 N/A ARG 34.A NH2 THR 43.A O no hydrogen 2.916 N/A ARG 34.A NH2 ALA 45.A O no hydrogen 2.819 N/A GLY 36.A N GLU 23.A O no hydrogen 2.776 N/A LYS 37.A N ASP 44.A O no hydrogen 3.043 N/A LYS 38.A N GLU 23.A OE1 no hydrogen 3.053 N/A LYS 38.A NZ ASP 14.A OD2 no hydrogen 2.612 N/A SER 39.A OG ASP 44.A OD2 no hydrogen 2.958 N/A VAL 41.A N SER 39.A OG no hydrogen 3.141 N/A ASP 44.A N VAL 41.A O no hydrogen 2.948 N/A ALA 45.A N ALA 42.A O no hydrogen 3.031 N/A SER 46.A N ILE 22.A O no hydrogen 2.771 N/A SER 46.A OG ARG 34.A O no hydrogen 2.699 N/A CYS 47.A N ILE 22.A O no hydrogen 3.366 N/A CYS 47.A SG PHE 48.A O no hydrogen 4.049 N/A PHE 48.A N HIS 148.A O no hydrogen 3.404 N/A LEU 50.A N GLY 146.A O no hydrogen 2.843 N/A ALA 54.A N HIS 255.A NE2 no hydrogen 3.008 N/A ASN 55.A N HIS 83.A ND1 no hydrogen 2.965 N/A ARG 56.A N ASN 55.A OD1 no hydrogen 2.881 N/A ARG 56.A NE ASP 78.A OD2 no hydrogen 2.807 N/A ARG 56.A NH1 ASN 55.A OD1 no hydrogen 3.341 N/A ARG 56.A NH2 ASP 78.A OD2 no hydrogen 2.809 N/A SER 58.A N ASP 258.A OD1 no hydrogen 2.903 N/A SER 58.A OG ASP 258.A OD1 no hydrogen 3.384 N/A SER 58.A OG ASP 258.A OD2 no hydrogen 2.718 N/A SER 58.A OG HIS 261.A NE2.B no hydrogen 3.231 N/A GLY 59.A N HIS 80.A NE2 no hydrogen 3.078 N/A ASN 60.A N VAL 57.A O no hydrogen 2.869 N/A ASN 60.A ND2 ALA 79.A O no hydrogen 2.893 N/A ARG 61.A NE GLU 68.A OE2 no hydrogen 3.015 N/A ARG 61.A NH2 GLU 68.A OE1 no hydrogen 2.943 N/A PHE 62.A N TYR 69.A O no hydrogen 3.081 N/A TRP 64.A N ARG 67.A O no hydrogen 2.917 N/A ARG 67.A N TRP 64.A O no hydrogen 3.042 N/A TYR 69.A N PHE 62.A O no hydrogen 2.853 N/A GLN 70.A NE2 GLU 68.A OE2 no hydrogen 3.373 N/A LEU 71.A N ASN 60.A O no hydrogen 2.838 N/A ASN 74.A ND2 LEU 82.A O no hydrogen 3.056 N/A ASP 78.A N VAL 75.A O no hydrogen 3.519 N/A HIS 80.A N ASP 78.A OD1 no hydrogen 2.813 N/A TYR 81.A N ASN 60.A OD1 no hydrogen 2.965 N/A TYR 81.A OH ASP 85.A OD1 no hydrogen 2.669 N/A LEU 82.A N ASN 74.A OD1 no hydrogen 2.974 N/A HIS 83.A N ASN 55.A O no hydrogen 2.901 N/A ASP 85.A N VAL 51.A O no hydrogen 2.965 N/A GLY 86.A N VAL 51.A O no hydrogen 3.325 N/A TRP 87.A NE1 GLY 84.A O no hydrogen 2.992 N/A LEU 88.A N ASP 85.A O no hydrogen 3.079 N/A GLY 89.A N GLY 86.A O no hydrogen 3.137 N/A TRP 91.A N ASP 17.A O no hydrogen 2.791 N/A TRP 91.A NE1 GLY 86.A O no hydrogen 2.896 N/A GLN 92.A N VAL 104.A O no hydrogen 2.850 N/A CYS 93.A SG SER 95.A O no hydrogen 3.465 N/A CYS 93.A SG CYS 102.A O no hydrogen 3.958 N/A VAL 94.A N CYS 102.A O no hydrogen 2.918 N/A SER 95.A N CYS 102.A O no hydrogen 3.451 N/A HIS 96.A NE2 THR 5.A O no hydrogen 2.877 N/A SER 97.A N SER 100.A O no hydrogen 2.776 N/A SER 97.A OG.A ASP 99.A OD1 no hydrogen 3.389 N/A SER 97.A OG.A SER 100.A OG no hydrogen 2.847 N/A SER 100.A N SER 97.A OG.A no hydrogen 3.222 N/A SER 100.A OG SER 97.A OG.A no hydrogen 2.847 N/A LEU 101.A N PHE 120.A O no hydrogen 3.075 N/A CYS 102.A N SER 95.A O no hydrogen 2.964 N/A CYS 102.A SG LEU 103.A O no hydrogen 4.018 N/A CYS 102.A SG GLN 118.A O no hydrogen 4.010 N/A LEU 103.A N GLN 118.A O no hydrogen 2.952 N/A VAL 104.A N GLN 92.A O no hydrogen 2.840 N/A TYR 105.A N VAL 116.A O no hydrogen 2.877 N/A TYR 105.A OH HIS 107.A ND1 no hydrogen 2.710 N/A HIS 107.A N TYR 114.A O no hydrogen 2.791 N/A HIS 107.A ND1 TYR 105.A OH no hydrogen 2.710 N/A SER 109.A OG HIS 107.A NE2 no hydrogen 3.271 N/A TYR 112.A OH PRO 142.A O no hydrogen 2.622 N/A TYR 112.A OH HIS 260.A NE2 no hydrogen 2.907 N/A TYR 114.A N HIS 107.A O no hydrogen 2.997 N/A TYR 114.A OH ASP 85.A OD2 no hydrogen 2.654 N/A ARG 115.A N THR 134.A O no hydrogen 3.164 N/A VAL 116.A N TYR 105.A O no hydrogen 2.800 N/A SER 117.A N SER 132.A O no hydrogen 2.950 N/A GLN 118.A N LEU 103.A O no hydrogen 2.795 N/A GLN 118.A NE2 GLY 20.A O no hydrogen 2.944 N/A ALA 119.A N THR 130.A O no hydrogen 2.922 N/A PHE 120.A N LEU 101.A O no hydrogen 2.782 N/A HIS 121.A N THR 128.A O no hydrogen 2.810 N/A LEU 122.A N ASP 99.A O no hydrogen 2.958 N/A THR 123.A N THR 126.A O no hydrogen 2.883 N/A THR 123.A OG1 ASP 125.A OD1 no hydrogen 3.418 N/A THR 123.A OG1 THR 126.A O no hydrogen 3.481 N/A THR 123.A OG1 THR 126.A OG1.A no hydrogen 2.570 N/A THR 126.A N THR 123.A OG1 no hydrogen 3.240 N/A THR 126.A OG1.A THR 123.A OG1 no hydrogen 2.570 N/A THR 126.A OG1.B ASP 125.A OD1 no hydrogen 2.800 N/A LEU 127.A N LEU 282.A O no hydrogen 2.989 N/A THR 128.A N HIS 121.A O no hydrogen 2.846 N/A THR 130.A N ALA 119.A O no hydrogen 2.870 N/A THR 130.A OG1.B SER 279.A O no hydrogen 3.340 N/A LEU 131.A N SER 279.A O no hydrogen 3.013 N/A SER 132.A N SER 117.A O no hydrogen 3.107 N/A SER 132.A OG THR 278.A OG1.B no hydrogen 2.975 N/A VAL 133.A N THR 277.A O no hydrogen 2.960 N/A THR 134.A N ARG 115.A O no hydrogen 2.904 N/A THR 134.A OG1 SER 276.A OG no hydrogen 2.758 N/A ASN 135.A N GLU 275.A O no hydrogen 3.113 N/A ASN 135.A ND2 GLU 139.A O no hydrogen 2.945 N/A ASN 135.A ND2 LEU 271.A O no hydrogen 2.987 N/A GLN 136.A N HIS 113.A O no hydrogen 2.931 N/A GLY 137.A N ASN 135.A OD1 no hydrogen 2.888 N/A LEU 141.A N LEU 271.A O no hydrogen 3.376 N/A PHE 143.A N ILE 269.A O no hydrogen 2.838 N/A GLY 144.A N PRO 52.A O no hydrogen 2.885 N/A THR 145.A N SER 254.A OG no hydrogen 3.023 N/A THR 145.A OG1 SER 279.A OG no hydrogen 2.632 N/A GLY 146.A N LEU 50.A O no hydrogen 3.193 N/A TRP 147.A N PRO 253.A O no hydrogen 3.156 N/A TRP 147.A NE1 GLN 118.A OE1 no hydrogen 3.068 N/A HIS 148.A N PHE 48.A O no hydrogen 2.883 N/A HIS 148.A ND1 HIS 148.A O no hydrogen 2.861 N/A TYR 150.A N SER 46.A O no hydrogen 2.857 N/A PHE 151.A N PHE 249.A O no hydrogen 2.804 N/A LEU 153.A N ASP 247.A O no hydrogen 2.916 N/A SER 154.A N THR 157.A OG1 no hydrogen 2.853 N/A GLN 156.A N SER 154.A OG no hydrogen 2.931 N/A THR 157.A N SER 154.A O no hydrogen 2.964 N/A THR 157.A OG1 SER 154.A O no hydrogen 3.199 N/A THR 157.A OG1 GLN 214.A OE1 no hydrogen 2.770 N/A ARG 158.A N GLU 213.A O no hydrogen 3.149 N/A ARG 158.A NE GLU 213.A OE1 no hydrogen 3.187 N/A ARG 158.A NH2 GLU 213.A OE1 no hydrogen 3.004 N/A ILE 159.A N ALA 192.A O no hydrogen 2.963 N/A GLN 160.A N ARG 211.A O no hydrogen 3.001 N/A GLN 160.A NE2.A ASN 189.A O no hydrogen 2.822 N/A ALA 161.A N PHE 188.A O no hydrogen 2.683 N/A GLN 162.A NE2 GLY 205.A O no hydrogen 2.902 N/A ALA 163.A N ASN 189.A OD1 no hydrogen 2.993 N/A SER 164.A N ALA 204.A O no hydrogen 2.916 N/A TYR 166.A N CYS 179.A O no hydrogen 2.898 N/A TRP 167.A N GLY 202.A O no hydrogen 2.996 N/A LEU 168.A N GLU 177.A O no hydrogen 2.884 N/A ARG 170.A N LEU 174.A O no hydrogen 2.911 N/A ARG 170.A NE ALA 175.A O no hydrogen 3.009 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.816 N/A LEU 174.A N GLU 171.A O no hydrogen 3.152 N/A GLY 176.A N LEU 168.A O no hydrogen 2.638 N/A CYS 179.A N TYR 166.A O no hydrogen 2.794 N/A CYS 179.A SG GLN 181.A O no hydrogen 3.451 N/A LEU 186.A N PRO 183.A O no hydrogen 2.953 N/A ASP 187.A N GLN 184.A O no hydrogen 3.121 N/A ASN 189.A N ASP 187.A OD1 no hydrogen 3.103 N/A ASN 189.A ND2 ALA 163.A O no hydrogen 2.952 N/A ASN 189.A ND2 ASP 187.A OD1 no hydrogen 2.816 N/A ALA 192.A N ILE 159.A O no hydrogen 2.860 N/A ARG 196.A NH2.A SER 154.A O no hydrogen 2.868 N/A TRP 198.A NE1 GLU 169.A OE1 no hydrogen 2.923 N/A TRP 198.A NE1 GLU 169.A OE2 no hydrogen 3.320 N/A VAL 199.A N VAL 235.A O no hydrogen 2.876 N/A ASN 200.A N ASN 201.A OD1 no hydrogen 3.211 N/A ASN 200.A ND2 GLU 169.A OE2 no hydrogen 2.832 N/A ASN 200.A ND2 TRP 173.A O no hydrogen 3.294 N/A ASN 201.A N ILE 233.A O no hydrogen 3.204 N/A ASN 201.A ND2 TRP 167.A O no hydrogen 2.994 N/A PHE 203.A N TYR 231.A O no hydrogen 2.772 N/A ALA 204.A N GLY 165.A O no hydrogen 3.003 N/A TRP 206.A N PRO 229.A O no hydrogen 3.158 N/A TRP 206.A NE1 GLN 209.A O no hydrogen 2.815 N/A GLN 209.A N ASN 207.A OD1 no hydrogen 3.223 N/A ARG 211.A N GLN 160.A O no hydrogen 2.981 N/A ARG 211.A NE.A GLU 213.A OE2 no hydrogen 3.195 N/A ARG 211.A NH1.A GLU 285.A OE2 no hydrogen 2.607 N/A ARG 211.A NH2.B GLU 285.A OE2 no hydrogen 3.024 N/A ILE 212.A N ILE 221.A O no hydrogen 2.823 N/A GLU 213.A N ARG 158.A O no hydrogen 2.784 N/A GLN 214.A N TYR 219.A O no hydrogen 2.809 N/A GLN 214.A NE2 PRO 152.A O no hydrogen 2.968 N/A GLN 216.A N GLN 216.A OE1 no hydrogen 2.661 N/A GLN 216.A NE2 GLN 214.A OE1 no hydrogen 3.127 N/A GLN 216.A NE2 GLU 217.A OE2.B no hydrogen 2.718 N/A GLU 217.A N GLN 214.A O no hydrogen 2.995 N/A GLY 218.A N PRO 215.A O no hydrogen 3.024 N/A ALA 220.A N GLU 285.A O no hydrogen 2.970 N/A ILE 221.A N ILE 212.A O no hydrogen 2.819 N/A ILE 222.A N ARG 283.A O no hydrogen 2.774 N/A THR 224.A N GLY 208.A O no hydrogen 3.027 N/A THR 224.A OG1 GLY 208.A O no hydrogen 2.829 N/A THR 225.A N GLU 280.A O no hydrogen 2.972 N/A ALA 228.A N THR 224.A OG1 no hydrogen 2.997 N/A CYS 230.A SG.B PHE 203.A O no hydrogen 3.319 N/A TYR 231.A N PHE 203.A O no hydrogen 3.215 N/A TYR 231.A OH ALA 161.A O no hydrogen 2.809 N/A PHE 232.A N GLU 252.A O no hydrogen 3.057 N/A ILE 233.A N ASN 201.A O no hydrogen 2.955 N/A PHE 234.A N CYS 250.A O no hydrogen 3.023 N/A VAL 235.A N VAL 199.A O no hydrogen 3.015 N/A SER 236.A N TYR 244.A OH no hydrogen 3.302 N/A ALA 239.A N ASP 237.A OD2.A no hydrogen 3.402 N/A PHE 240.A N ASP 237.A O no hydrogen 3.046 N/A PHE 240.A N ASP 237.A OD1.B no hydrogen 2.875 N/A ASP 241.A N ASP 237.A O no hydrogen 3.132 N/A TYR 244.A OH PHE 248.A O no hydrogen 2.658 N/A ALA 245.A N ASP 247.A OD1 no hydrogen 3.088 N/A PHE 249.A N PHE 151.A O no hydrogen 2.982 N/A CYS 250.A N PHE 234.A O no hydrogen 2.855 N/A GLU 252.A N PHE 232.A O no hydrogen 2.838 N/A SER 254.A OG THR 145.A O no hydrogen 3.268 N/A HIS 255.A ND1 ALA 256.A O no hydrogen 2.930 N/A ALA 256.A N ASP 259.A OD2 no hydrogen 2.937 N/A ASP 259.A N ALA 256.A O no hydrogen 3.147 N/A HIS 260.A NE2 TYR 112.A OH no hydrogen 2.907 N/A HIS 261.A N ASP 258.A O no hydrogen 2.980 N/A HIS 261.A NE2.A ARG 61.A O no hydrogen 3.198 N/A HIS 261.A NE2.B SER 58.A O no hydrogen 3.037 N/A ARG 262.A N ASP 259.A O no hydrogen 2.997 N/A ARG 262.A NH1 PRO 257.A O no hydrogen 2.872 N/A ARG 262.A NH1 ASP 259.A OD1 no hydrogen 2.606 N/A ARG 262.A NH2 PRO 257.A O no hydrogen 3.359 N/A GLY 265.A N ARG 262.A O no hydrogen 3.037 N/A GLY 266.A N PRO 263.A O no hydrogen 3.003 N/A ASP 267.A N ASP 259.A OD2 no hydrogen 2.878 N/A LEU 268.A N GLY 265.A O no hydrogen 2.985 N/A ILE 269.A N PHE 143.A O no hydrogen 2.880 N/A LEU 271.A N LEU 141.A O no hydrogen 3.052 N/A ALA 272.A N GLU 275.A OE1 no hydrogen 2.855 N/A GLY 274.A N ASN 135.A O no hydrogen 2.796 N/A GLU 275.A N ALA 272.A O no hydrogen 2.870 N/A SER 276.A OG THR 134.A OG1 no hydrogen 2.758 N/A THR 277.A N VAL 133.A O no hydrogen 3.038 N/A THR 278.A OG1.B SER 132.A OG no hydrogen 2.975 N/A SER 279.A N LEU 131.A O no hydrogen 2.889 N/A SER 279.A OG THR 145.A OG1 no hydrogen 2.632 N/A GLU 280.A N THR 225.A O no hydrogen 2.851 N/A LEU 282.A N LEU 127.A O no hydrogen 2.812 N/A ARG 283.A N ILE 222.A O no hydrogen 2.816 N/A ARG 283.A NH1 GLU 285.A OE1 no hydrogen 2.984 N/A VAL 284.A N ASP 125.A O no hydrogen 2.790 N/A GLU 285.A N ALA 220.A O no hydrogen 2.939 N/A LEU 287.A N GLY 218.A O no hydrogen 3.160 N/A