Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ahr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A SG PRO 5.A O no hydrogen 3.726 N/A LYS 8.A N PRO 5.A O no hydrogen 3.129 N/A LYS 8.A NZ ASP 18.A O no hydrogen 2.944 N/A LYS 9.A N PHE 6.A O no hydrogen 3.054 N/A ILE 10.A N PHE 15.A O no hydrogen 3.090 N/A THR 13.A N ILE 10.A O no hydrogen 3.272 N/A THR 13.A OG1 ILE 10.A O no hydrogen 2.759 N/A PHE 15.A N THR 13.A OG1 no hydrogen 2.959 N/A THR 16.A N ALA 30.A O no hydrogen 3.135 N/A VAL 17.A N LYS 8.A O no hydrogen 2.914 N/A ASP 18.A N PHE 32.A O no hydrogen 2.760 N/A VAL 25.A N TYR 31.A OH no hydrogen 3.002 N/A CYS 28.A N VAL 25.A O no hydrogen 3.020 N/A CYS 28.A SG GLY 14.A O no hydrogen 3.484 N/A CYS 28.A SG THR 16.A OG1 no hydrogen 3.278 N/A CYS 28.A SG ALA 30.A O no hydrogen 3.243 N/A THR 29.A N GLY 14.A O no hydrogen 2.851 N/A THR 29.A OG1 GLY 14.A O no hydrogen 3.457 N/A PHE 32.A N THR 16.A O no hydrogen 2.848 N/A LEU 33.A N TYR 53.A O no hydrogen 2.927 N/A THR 34.A N ASP 18.A OD1 no hydrogen 2.765 N/A THR 34.A OG1 ASP 18.A OD1 no hydrogen 3.338 N/A THR 34.A OG1 ASP 18.A OD2 no hydrogen 2.690 N/A THR 34.A OG1 HIS 35.A ND1 no hydrogen 2.730 N/A HIS 35.A ND1 THR 34.A OG1 no hydrogen 2.730 N/A HIS 40.A N HIS 37.A O no hydrogen 2.699 N/A HIS 40.A ND1 ASP 18.A OD2 no hydrogen 3.062 N/A TYR 41.A N HIS 37.A O no hydrogen 3.025 N/A ALA 42.A N SER 38.A O no hydrogen 3.032 N/A LEU 44.A N TYR 41.A O no hydrogen 2.913 N/A HIS 47.A N SER 45.A OG no hydrogen 3.340 N/A PHE 48.A N SER 45.A O no hydrogen 3.173 N/A VAL 52.A N TYR 72.A O no hydrogen 2.671 N/A TYR 53.A N TYR 31.A O no hydrogen 2.955 N/A CYS 54.A N HIS 74.A O no hydrogen 3.340 N/A CYS 54.A SG SER 55.A O no hydrogen 3.353 N/A SER 55.A OG THR 58.A OG1 no hydrogen 3.114 N/A SER 55.A OG GLY 99.A O no hydrogen 2.682 N/A THR 58.A N SER 55.A OG no hydrogen 3.179 N/A THR 58.A OG1 SER 55.A OG no hydrogen 3.114 N/A THR 58.A OG1 GLY 99.A O no hydrogen 3.113 N/A GLY 59.A N SER 55.A O no hydrogen 2.899 N/A ASN 60.A N GLU 56.A O no hydrogen 2.937 N/A ASN 60.A ND2 CYS 213.A O no hydrogen 2.970 N/A ASN 60.A ND2 ASN 215.A OD1 no hydrogen 3.671 N/A LEU 61.A N ILE 57.A O no hydrogen 3.154 N/A LEU 62.A N THR 58.A O no hydrogen 2.894 N/A LYS 63.A N GLY 59.A O no hydrogen 2.974 N/A LYS 63.A NZ GLU 70.A OE1 no hydrogen 3.369 N/A ASN 64.A N ASN 60.A O no hydrogen 2.898 N/A LYS 65.A N LEU 61.A O no hydrogen 2.794 N/A LYS 65.A NZ THR 210.A OG1 no hydrogen 2.675 N/A LEU 66.A N LEU 62.A O no hydrogen 3.307 N/A VAL 68.A N LEU 62.A O no hydrogen 3.106 N/A GLN 69.A NE2 LYS 46.A O no hydrogen 2.859 N/A TYR 72.A N GLN 69.A O no hydrogen 2.929 N/A ILE 73.A N GLU 70.A O no hydrogen 3.152 N/A HIS 74.A N VAL 52.A O no hydrogen 2.736 N/A HIS 74.A ND1 TYR 72.A O no hydrogen 3.307 N/A LEU 76.A N CYS 54.A O no hydrogen 2.887 N/A ASP 79.A N LEU 91.A O no hydrogen 2.876 N/A THR 80.A OG1 LEU 78.A O no hydrogen 2.776 N/A CYS 82.A N VAL 89.A O no hydrogen 2.899 N/A CYS 82.A SG THR 80.A O no hydrogen 3.459 N/A VAL 84.A N VAL 87.A O no hydrogen 2.779 N/A ASN 85.A ND2 THR 29.A O no hydrogen 3.266 N/A VAL 87.A N VAL 84.A O no hydrogen 2.863 N/A LYS 88.A NZ GLU 81.A OE2 no hydrogen 3.151 N/A VAL 89.A N CYS 82.A O no hydrogen 2.819 N/A VAL 90.A N LEU 104.A O no hydrogen 2.903 N/A LEU 92.A N MET 102.A O no hydrogen 2.835 N/A ALA 94.A N ALA 100.A O no hydrogen 3.162 N/A ASN 95.A N ASP 93.A OD1 no hydrogen 2.873 N/A ASN 95.A ND2 ARG 120.A O no hydrogen 2.797 N/A ASN 95.A ND2 GLN 154.A OE1 no hydrogen 3.117 N/A HIS 96.A ND1 GLU 283.A O no hydrogen 2.719 N/A HIS 96.A NE2 HIS 37.A ND1 no hydrogen 3.194 N/A CYS 97.A SG PRO 98.A O no hydrogen 3.862 N/A ALA 100.A N CYS 97.A O no hydrogen 3.118 N/A VAL 101.A N THR 34.A O no hydrogen 2.945 N/A MET 102.A N LEU 92.A O no hydrogen 2.703 N/A ILE 103.A N HIS 115.A O no hydrogen 2.791 N/A LEU 104.A N VAL 90.A O no hydrogen 2.903 N/A PHE 105.A N ILE 113.A O no hydrogen 2.729 N/A TYR 106.A N LYS 88.A O no hydrogen 2.751 N/A TYR 106.A OH GLN 133.A OE1 no hydrogen 2.603 N/A LEU 107.A N THR 111.A O no hydrogen 2.837 N/A GLY 110.A N LEU 107.A O no hydrogen 2.850 N/A THR 111.A N ASN 109.A OD1 no hydrogen 2.943 N/A THR 111.A OG1 ASN 109.A OD1 no hydrogen 2.828 N/A VAL 112.A N HIS 136.A ND1 no hydrogen 2.863 N/A ILE 113.A N PHE 105.A O no hydrogen 3.014 N/A LEU 114.A N MET 137.A O no hydrogen 2.976 N/A HIS 115.A N ILE 103.A O no hydrogen 2.809 N/A HIS 115.A NE2 TYR 7.A O no hydrogen 3.191 N/A THR 116.A N TYR 139.A O no hydrogen 2.984 N/A THR 116.A OG1 GLY 117.A O no hydrogen 2.900 N/A THR 116.A OG1 TYR 139.A O no hydrogen 3.391 N/A GLY 117.A N HIS 115.A ND1 no hydrogen 3.130 N/A PHE 119.A N ASP 141.A OD2 no hydrogen 2.978 N/A ARG 120.A N ALA 94.A O no hydrogen 3.125 N/A ARG 120.A NE GLU 289.A OE1 no hydrogen 2.952 N/A ARG 120.A NE GLU 289.A OE2 no hydrogen 3.281 N/A ARG 120.A NH1 SER 282.A O no hydrogen 3.133 N/A ARG 120.A NH2 PRO 152.A O no hydrogen 2.893 N/A ARG 120.A NH2 GLU 289.A OE2 no hydrogen 2.822 N/A ALA 121.A N SER 285.A OG no hydrogen 2.871 N/A SER 124.A N ASP 122.A OD2 no hydrogen 2.972 N/A SER 124.A OG ASP 122.A OD2 no hydrogen 3.046 N/A MET 125.A N ASP 122.A O no hydrogen 2.924 N/A GLU 126.A N PRO 123.A O no hydrogen 2.887 N/A ARG 127.A N SER 124.A O no hydrogen 2.971 N/A SER 128.A N MET 125.A O no hydrogen 3.213 N/A SER 128.A OG MET 125.A O no hydrogen 2.689 N/A LEU 130.A N SER 128.A OG no hydrogen 3.073 N/A ALA 131.A N SER 128.A O no hydrogen 2.805 N/A ASP 132.A N LEU 129.A O no hydrogen 3.140 N/A GLN 133.A NE2 LEU 129.A O no hydrogen 3.018 N/A GLN 133.A NE2 GLN 133.A O no hydrogen 3.032 N/A HIS 136.A N VAL 112.A O no hydrogen 2.918 N/A MET 137.A N VAL 112.A O no hydrogen 3.275 N/A LEU 138.A N LYS 301.A O no hydrogen 2.720 N/A TYR 139.A N LEU 114.A O no hydrogen 2.824 N/A LEU 140.A N ILE 303.A O no hydrogen 2.991 N/A ASP 141.A N THR 116.A OG1 no hydrogen 3.002 N/A THR 142.A OG1 VAL 306.A O no hydrogen 2.746 N/A THR 143.A N ASP 141.A OD1 no hydrogen 3.048 N/A THR 143.A OG1 ASP 141.A OD1 no hydrogen 2.599 N/A CYS 145.A N THR 142.A O no hydrogen 3.047 N/A SER 146.A N TYR 144.A O no hydrogen 2.823 N/A SER 146.A OG GLU 148.A OE2 no hydrogen 2.770 N/A TYR 149.A N SER 146.A O no hydrogen 2.925 N/A SER 153.A N GLU 156.A OE1 no hydrogen 3.070 N/A SER 153.A OG GLU 156.A OE1 no hydrogen 3.566 N/A GLN 154.A NE2 ASN 95.A OD1 no hydrogen 3.261 N/A GLU 156.A N SER 153.A OG no hydrogen 3.098 N/A VAL 157.A N SER 153.A O no hydrogen 3.051 N/A ILE 158.A N GLN 154.A O no hydrogen 2.997 N/A ARG 159.A N GLN 155.A O no hydrogen 2.875 N/A ARG 159.A NE ASN 163.A OD1 no hydrogen 3.414 N/A ARG 159.A NH2 ASN 163.A OD1 no hydrogen 3.373 N/A PHE 160.A N GLU 156.A O no hydrogen 3.032 N/A ALA 161.A N VAL 157.A O no hydrogen 3.057 N/A ILE 162.A N ILE 158.A O no hydrogen 2.909 N/A ASN 163.A N ARG 159.A O no hydrogen 3.013 N/A THR 164.A N PHE 160.A O no hydrogen 2.991 N/A THR 164.A OG1 PHE 160.A O no hydrogen 2.736 N/A ALA 165.A N ALA 161.A O no hydrogen 2.977 N/A PHE 166.A N ILE 162.A O no hydrogen 2.921 N/A GLU 167.A N ASN 163.A O no hydrogen 3.040 N/A ALA 168.A N THR 164.A O no hydrogen 2.987 N/A VAL 169.A N ALA 165.A O no hydrogen 3.037 N/A THR 170.A N PHE 166.A O no hydrogen 2.953 N/A THR 170.A OG1 PHE 166.A O no hydrogen 2.798 N/A LEU 171.A N GLU 167.A O no hydrogen 2.972 N/A ASN 172.A N ALA 168.A O no hydrogen 2.966 N/A ASN 172.A ND2 ASN 257.A OD1 no hydrogen 3.038 N/A ASN 172.A ND2 GLN 258.A OE1 no hydrogen 2.597 N/A HIS 174.A N ASN 172.A OD1 no hydrogen 2.873 N/A ALA 175.A N ASN 172.A O no hydrogen 2.938 N/A LEU 176.A N GLN 258.A O no hydrogen 2.686 N/A VAL 177.A N LEU 231.A O no hydrogen 2.987 N/A VAL 178.A N LEU 260.A O no hydrogen 2.843 N/A CYS 179.A N HIS 233.A O no hydrogen 2.884 N/A GLY 180.A N PHE 262.A O no hydrogen 3.206 N/A THR 181.A N LEU 235.A O no hydrogen 2.935 N/A THR 181.A OG1 TYR 182.A O no hydrogen 3.085 N/A GLY 185.A N GLU 187.A OE2 no hydrogen 2.826 N/A LYS 186.A NZ GLY 180.A O no hydrogen 3.332 N/A GLU 187.A N GLU 187.A OE1 no hydrogen 2.808 N/A PHE 190.A N LYS 186.A O no hydrogen 2.995 N/A LEU 191.A N GLU 187.A O no hydrogen 2.863 N/A ALA 192.A N LYS 188.A O no hydrogen 3.388 N/A ILE 193.A N VAL 189.A O no hydrogen 3.116 N/A ALA 194.A N PHE 190.A O no hydrogen 3.117 N/A ASP 195.A N LEU 191.A O no hydrogen 2.996 N/A VAL 196.A N ALA 192.A O no hydrogen 3.105 N/A LEU 197.A N ILE 193.A O no hydrogen 3.257 N/A LEU 197.A N ALA 194.A O no hydrogen 3.169 N/A GLY 198.A N ASP 195.A O no hydrogen 2.991 N/A SER 199.A N ALA 194.A O no hydrogen 2.868 N/A SER 199.A OG LYS 200.A O no hydrogen 2.702 N/A VAL 201.A N LEU 222.A O no hydrogen 2.856 N/A GLY 202.A N VAL 232.A O no hydrogen 2.822 N/A MET 203.A N THR 224.A O no hydrogen 3.077 N/A LYS 207.A N.A SER 204.A OG no hydrogen 3.219 N/A LYS 207.A N.B SER 204.A OG no hydrogen 3.203 N/A LYS 207.A NZ.A THR 181.A O no hydrogen 3.385 N/A LYS 207.A NZ.A THR 181.A OG1 no hydrogen 3.117 N/A LYS 207.A NZ.A TYR 182.A O no hydrogen 3.350 N/A LYS 207.A NZ.B THR 181.A OG1 no hydrogen 3.104 N/A LYS 207.A NZ.B TYR 182.A O no hydrogen 3.074 N/A LYS 207.A NZ.B SER 183.A O no hydrogen 3.019 N/A TYR 208.A N SER 204.A O no hydrogen 2.940 N/A LYS 209.A N GLN 205.A O no hydrogen 2.882 N/A LYS 209.A NZ GLN 205.A OE1 no hydrogen 3.145 N/A THR 210.A N GLU 206.A O no hydrogen 3.109 N/A THR 210.A OG1 GLU 206.A O no hydrogen 3.014 N/A LEU 211.A N LYS 207.A O.A no hydrogen 3.058 N/A LEU 211.A N LYS 207.A O.B no hydrogen 3.049 N/A GLN 212.A N TYR 208.A O no hydrogen 3.133 N/A CYS 213.A N THR 210.A O no hydrogen 3.015 N/A CYS 213.A SG LYS 209.A O no hydrogen 3.752 N/A LEU 214.A N LEU 211.A O no hydrogen 3.139 N/A ILE 219.A N ILE 216.A O no hydrogen 3.314 N/A SER 221.A N GLU 218.A O no hydrogen 2.887 N/A SER 221.A OG GLU 218.A O no hydrogen 2.665 N/A LEU 222.A N ILE 219.A O no hydrogen 2.749 N/A ILE 223.A N ILE 219.A O no hydrogen 3.198 N/A THR 224.A N VAL 201.A O no hydrogen 3.016 N/A ASP 226.A N THR 224.A OG1 no hydrogen 2.703 N/A SER 229.A N ASP 226.A O no hydrogen 3.088 N/A SER 229.A OG ASP 226.A O no hydrogen 2.727 N/A SER 230.A N MET 227.A O no hydrogen 2.956 N/A SER 230.A OG MET 227.A O no hydrogen 2.890 N/A SER 230.A OG VAL 232.A O no hydrogen 3.408 N/A LEU 231.A N SER 199.A OG no hydrogen 2.936 N/A HIS 233.A N VAL 177.A O no hydrogen 2.880 N/A HIS 233.A ND1 HIS 248.A NE2 no hydrogen 2.929 N/A HIS 233.A NE2 MET 227.A O no hydrogen 2.854 N/A LEU 234.A N GLY 202.A O no hydrogen 3.038 N/A LEU 235.A N CYS 179.A O no hydrogen 3.027 N/A MET 237.A N THR 181.A O no hydrogen 3.209 N/A GLN 239.A N PRO 236.A O no hydrogen 2.918 N/A GLN 239.A NE2 GLY 244.A O no hydrogen 2.953 N/A ILE 240.A N MET 237.A O no hydrogen 3.068 N/A ASN 241.A N GLN 239.A O no hydrogen 2.795 N/A GLY 244.A N ASN 241.A OD1 no hydrogen 2.774 N/A LEU 245.A N ASN 241.A O no hydrogen 2.876 N/A GLN 246.A N PHE 242.A O no hydrogen 2.835 N/A SER 247.A N LYS 243.A O no hydrogen 3.104 N/A HIS 248.A N GLY 244.A O no hydrogen 3.076 N/A HIS 248.A NE2 HIS 233.A ND1 no hydrogen 2.929 N/A LEU 249.A N LEU 245.A O no hydrogen 2.909 N/A LYS 250.A N GLN 246.A O no hydrogen 2.968 N/A LYS 251.A N SER 247.A O no hydrogen 2.881 N/A CYS 252.A N HIS 248.A O no hydrogen 3.011 N/A CYS 252.A SG HIS 248.A NE2 no hydrogen 3.539 N/A CYS 252.A SG HIS 248.A O no hydrogen 3.473 N/A GLY 253.A N LYS 250.A O no hydrogen 3.007 N/A LYS 255.A N CYS 252.A O no hydrogen 3.231 N/A TYR 256.A OH MET 227.A O no hydrogen 3.262 N/A TYR 256.A OH SER 230.A O no hydrogen 2.573 N/A TYR 256.A OH HIS 233.A NE2 no hydrogen 3.316 N/A ASN 257.A N HIS 174.A O no hydrogen 3.107 N/A ILE 259.A N ASN 273.A O no hydrogen 3.028 N/A LEU 260.A N LEU 176.A O no hydrogen 2.835 N/A ALA 261.A N SER 275.A O no hydrogen 2.865 N/A PHE 262.A N VAL 178.A O no hydrogen 2.914 N/A ARG 263.A N.A TYR 277.A O no hydrogen 2.999 N/A ARG 263.A N.B TYR 277.A O no hydrogen 3.024 N/A ARG 263.A NH1.B ILE 240.A O no hydrogen 3.233 N/A THR 265.A N ILE 279.A O no hydrogen 2.928 N/A GLN 269.A N ILE 276.A O no hydrogen 2.981 N/A THR 270.A OG1 SER 275.A OG no hydrogen 2.943 N/A LYS 271.A N ILE 274.A O no hydrogen 2.978 N/A ASN 273.A ND2 ASN 257.A O no hydrogen 2.817 N/A ILE 274.A N LYS 271.A O no hydrogen 3.373 N/A SER 275.A N ILE 259.A O no hydrogen 3.042 N/A SER 275.A OG THR 270.A OG1 no hydrogen 2.943 N/A ILE 276.A N GLN 269.A O no hydrogen 2.882 N/A TYR 277.A N ALA 261.A O no hydrogen 2.788 N/A ILE 279.A N ARG 263.A O.A no hydrogen 2.738 N/A ILE 279.A N ARG 263.A O.B no hydrogen 3.035 N/A TYR 281.A N ILE 279.A O no hydrogen 2.784 N/A TYR 281.A OH GLU 283.A OE2 no hydrogen 2.527 N/A SER 282.A OG HIS 284.A O no hydrogen 2.956 N/A HIS 284.A N SER 282.A OG no hydrogen 3.098 N/A HIS 284.A ND1 ASP 141.A OD2 no hydrogen 2.754 N/A SER 285.A N PHE 119.A O no hydrogen 3.229 N/A SER 285.A OG PHE 119.A O no hydrogen 3.339 N/A SER 286.A N GLU 289.A OE1 no hydrogen 2.821 N/A TYR 287.A N TYR 149.A O no hydrogen 3.197 N/A GLU 289.A N SER 286.A OG no hydrogen 3.067 N/A MET 290.A N SER 286.A O no hydrogen 2.941 N/A LYS 291.A N TYR 287.A O no hydrogen 2.916 N/A LYS 291.A NZ GLN 295.A OE1 no hydrogen 3.019 N/A LYS 291.A NZ GLU 327.A OE1 no hydrogen 2.676 N/A ARG 292.A N LEU 288.A O no hydrogen 2.957 N/A ARG 292.A NE GLU 126.A OE2 no hydrogen 2.879 N/A ARG 292.A NH2 GLU 126.A OE1 no hydrogen 2.963 N/A ARG 292.A NH2 GLU 126.A OE2 no hydrogen 3.500 N/A PHE 293.A N GLU 289.A O no hydrogen 3.050 N/A VAL 294.A N MET 290.A O no hydrogen 2.972 N/A GLN 295.A N LYS 291.A O no hydrogen 2.880 N/A GLN 295.A NE2 TRP 324.A O no hydrogen 3.012 N/A GLN 295.A NE2 GLU 327.A OE1 no hydrogen 2.996 N/A TRP 296.A N ARG 292.A O no hydrogen 3.022 N/A LEU 297.A N PHE 293.A O no hydrogen 2.942 N/A LYS 298.A N VAL 294.A O no hydrogen 2.926 N/A LYS 298.A NZ GLN 295.A O no hydrogen 2.922 N/A GLN 300.A N HIS 136.A O no hydrogen 2.836 N/A LYS 301.A N HIS 136.A O no hydrogen 3.030 N/A ILE 303.A N LEU 138.A O no hydrogen 2.713 N/A THR 305.A N LEU 140.A O no hydrogen 2.952 N/A THR 305.A OG1 LEU 140.A O no hydrogen 3.049 N/A VAL 306.A N THR 142.A OG1 no hydrogen 3.295 N/A ASN 307.A ND2 THR 142.A O no hydrogen 3.196 N/A ASN 307.A ND2 THR 143.A O no hydrogen 3.130 N/A SER 313.A N THR 310.A OG1 no hydrogen 3.176 N/A SER 313.A OG ASN 307.A O no hydrogen 2.567 N/A ARG 314.A N THR 310.A O no hydrogen 3.135 N/A ARG 314.A NE VAL 308.A O no hydrogen 2.987 N/A SER 315.A N TRP 311.A O no hydrogen 2.836 N/A SER 315.A OG TRP 311.A O no hydrogen 2.900 N/A SER 315.A OG LYS 312.A O no hydrogen 3.250 N/A THR 316.A N LYS 312.A O no hydrogen 3.007 N/A THR 316.A OG1 LYS 312.A O no hydrogen 2.731 N/A MET 317.A N SER 313.A O no hydrogen 3.086 N/A GLU 318.A N ARG 314.A O no hydrogen 3.001 N/A LYS 319.A N SER 315.A O no hydrogen 2.936 N/A TYR 320.A N THR 316.A O no hydrogen 3.218 N/A PHE 321.A N MET 317.A O no hydrogen 3.020 N/A ARG 322.A N GLU 318.A O no hydrogen 3.029 N/A GLU 323.A N LYS 319.A O no hydrogen 3.029 N/A TRP 324.A N TYR 320.A O no hydrogen 2.903 N/A TRP 324.A NE1 TYR 287.A OH no hydrogen 2.998 N/A LYS 325.A N PHE 321.A O no hydrogen 3.011 N/A LEU 326.A N ARG 322.A O no hydrogen 3.002 N/A GLU 327.A N GLU 323.A O no hydrogen 3.054 N/A ALA 328.A N TRP 324.A O no hydrogen 3.114 N/A GLY 329.A N LYS 325.A O no hydrogen 2.967 N/A TYR 330.A N LYS 325.A O no hydrogen 3.284 N/A