Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pnf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 7.A N ILE 133.A O no hydrogen 2.762 N/A ILE 9.A N PHE 131.A O no hydrogen 2.700 N/A THR 11.A N VAL 129.A O no hydrogen 3.175 N/A THR 11.A OG1 VAL 129.A O no hydrogen 3.248 N/A LYS 14.A N SER 128.A OG no hydrogen 2.747 N/A VAL 15.A N TYR 127.A O no hydrogen 2.747 N/A LYS 16.A NZ ALA 122.A O no hydrogen 3.082 N/A ASN 17.A N ARG 125.A O no hydrogen 2.900 N/A ASN 17.A ND2 ILE 115.A O no hydrogen 3.247 N/A ALA 18.A N SER 24.A O no hydrogen 2.825 N/A PHE 19.A N LEU 121.A O no hydrogen 3.210 N/A LEU 23.A N GLY 20.A O no hydrogen 3.086 N/A SER 24.A OG SER 26.A O no hydrogen 3.167 N/A GLN 25.A NE2 THR 119.A O no hydrogen 2.753 N/A ALA 27.A N ILE 115.A O no hydrogen 2.775 N/A GLY 29.A N LEU 113.A O no hydrogen 2.924 N/A PHE 31.A N THR 111.A O no hydrogen 2.769 N/A THR 32.A OG1 ASN 110.A OD1 no hydrogen 3.417 N/A PHE 33.A N GLY 109.A O no hydrogen 2.860 N/A THR 38.A N ASP 36.A OD1 no hydrogen 2.917 N/A THR 38.A OG1 ASP 36.A OD1 no hydrogen 2.588 N/A VAL 40.A N VAL 37.A O no hydrogen 3.223 N/A LYS 41.A N VAL 134.A O no hydrogen 2.818 N/A THR 42.A N VAL 134.A O no hydrogen 3.284 N/A ILE 43.A N THR 101.A OG1 no hydrogen 2.824 N/A LYS 44.A N ASP 132.A O no hydrogen 2.875 N/A LYS 44.A NZ ASP 99.A OD2 no hydrogen 2.940 N/A MET 45.A N ILE 98.A O no hydrogen 2.788 N/A PHE 46.A N ASP 130.A O no hydrogen 2.886 N/A ILE 47.A N LEU 96.A O no hydrogen 2.826 N/A LYS 48.A N SER 128.A O no hydrogen 2.889 N/A ASN 49.A N THR 89.A OG1 no hydrogen 2.993 N/A ASN 49.A ND2 GLU 126.A O no hydrogen 2.827 N/A GLU 50.A N GLU 126.A O no hydrogen 2.994 N/A CYS 51.A SG TRP 86.A O no hydrogen 3.425 N/A THR 55.A N PRO 52.A O no hydrogen 3.125 N/A THR 55.A OG1 PRO 52.A O no hydrogen 2.664 N/A CYS 56.A SG ASP 57.A O no hydrogen 3.957 N/A CYS 56.A SG TRP 86.A O no hydrogen 4.014 N/A ASP 57.A N GLY 124.A O no hydrogen 2.857 N/A GLU 58.A N GLU 58.A OE1 no hydrogen 2.897 N/A ASP 60.A N ASP 60.A OD1 no hydrogen 2.689 N/A ARG 61.A N THR 83.A OG1 no hydrogen 2.764 N/A ARG 61.A NE ASP 57.A OD2 no hydrogen 2.922 N/A ARG 61.A NH2 ASP 57.A OD1 no hydrogen 3.257 N/A ARG 61.A NH2 ASP 57.A OD2 no hydrogen 3.300 N/A TYR 62.A OH ASN 152.A O no hydrogen 2.850 N/A ALA 63.A N PHE 81.A O no hydrogen 2.986 N/A ASN 64.A N TYR 116.A O no hydrogen 2.984 N/A ASN 64.A ND2 GLU 77.A OE2 no hydrogen 2.924 N/A ASN 64.A ND2 ASN 152.A O no hydrogen 3.239 N/A VAL 65.A N GLY 79.A O no hydrogen 2.919 N/A TYR 66.A N LYS 114.A O no hydrogen 2.851 N/A VAL 67.A N TYR 76.A O no hydrogen 2.943 N/A LYS 68.A N GLU 112.A O no hydrogen 3.066 N/A ASN 69.A N GLU 74.A O no hydrogen 2.825 N/A ASN 69.A ND2 TYR 76.A OH no hydrogen 2.864 N/A LYS 70.A NZ SER 108.A O no hydrogen 2.868 N/A LYS 70.A NZ THR 111.A OG1 no hydrogen 3.197 N/A THR 71.A N ASN 69.A OD1 no hydrogen 2.847 N/A THR 71.A OG1 ASN 69.A OD1 no hydrogen 3.396 N/A THR 72.A N ASN 69.A OD1 no hydrogen 2.920 N/A GLY 73.A N ASN 69.A O no hydrogen 2.669 N/A GLU 74.A N THR 72.A OG1 no hydrogen 3.240 N/A TYR 76.A N VAL 67.A O no hydrogen 2.812 N/A ILE 78.A N VAL 65.A O no hydrogen 2.744 N/A GLY 79.A N VAL 65.A O no hydrogen 3.424 N/A ARG 80.A NE GLU 77.A OE2 no hydrogen 2.813 N/A ARG 80.A NH1 SER 189.A OG no hydrogen 2.877 N/A ARG 80.A NH1 ALA 294.A O no hydrogen 2.936 N/A ARG 80.A NH2 GLU 77.A OE1 no hydrogen 2.872 N/A ARG 80.A NH2 GLU 77.A OE2 no hydrogen 3.464 N/A PHE 81.A N ALA 63.A O no hydrogen 2.987 N/A ILE 82.A N MET 255.A O no hydrogen 3.062 N/A THR 83.A N ARG 61.A O no hydrogen 2.811 N/A THR 83.A OG1 TRP 59.A O no hydrogen 3.011 N/A THR 83.A OG1 PRO 84.A O no hydrogen 3.570 N/A TYR 85.A N GLN 239.A OE1 no hydrogen 2.996 N/A TRP 86.A N GLU 58.A O no hydrogen 2.863 N/A VAL 87.A N TYR 85.A O no hydrogen 2.657 N/A GLY 88.A N GLU 90.A OE1 no hydrogen 3.220 N/A THR 89.A N ASN 49.A O no hydrogen 3.046 N/A GLU 90.A N GLU 90.A OE1 no hydrogen 2.918 N/A LEU 92.A N THR 89.A O no hydrogen 2.671 N/A ARG 94.A NH1 ASP 132.A OD2 no hydrogen 2.695 N/A ARG 94.A NH2 ASP 130.A OD2 no hydrogen 2.605 N/A ARG 94.A NH2 ASP 132.A OD1 no hydrogen 3.144 N/A ARG 94.A NH2 ASP 132.A OD2 no hydrogen 3.450 N/A GLY 95.A N LEU 92.A O no hydrogen 2.874 N/A LEU 96.A N ILE 47.A O no hydrogen 2.729 N/A ILE 98.A N MET 45.A O no hydrogen 2.878 N/A VAL 100.A N ILE 43.A O no hydrogen 2.964 N/A THR 101.A N ASP 99.A OD1 no hydrogen 2.999 N/A THR 101.A OG1 ILE 43.A O no hydrogen 3.430 N/A THR 101.A OG1 ASP 99.A OD1 no hydrogen 2.700 N/A THR 101.A OG1 ASP 99.A OD2 no hydrogen 3.537 N/A PHE 103.A N VAL 100.A O no hydrogen 2.869 N/A LYS 104.A N THR 101.A O no hydrogen 2.844 N/A LYS 104.A NZ VAL 40.A O no hydrogen 3.159 N/A LEU 106.A N PHE 103.A O no hydrogen 2.815 N/A LEU 107.A N PHE 103.A O no hydrogen 3.128 N/A SER 108.A OG ALA 35.A O no hydrogen 3.442 N/A SER 108.A OG LYS 104.A O no hydrogen 3.364 N/A GLY 109.A N PRO 34.A O no hydrogen 3.373 N/A THR 111.A N PHE 31.A O no hydrogen 2.767 N/A THR 111.A OG1 LEU 106.A O no hydrogen 3.430 N/A THR 111.A OG1 GLY 109.A O no hydrogen 2.843 N/A LEU 113.A N GLY 29.A O no hydrogen 2.795 N/A LYS 114.A N TYR 66.A O no hydrogen 3.057 N/A ILE 115.A N ALA 27.A O no hydrogen 2.762 N/A TYR 116.A N ASN 64.A O no hydrogen 2.941 N/A THR 117.A N GLN 25.A O no hydrogen 2.983 N/A THR 117.A OG1 ASN 17.A OD1 no hydrogen 2.951 N/A THR 117.A OG1 TYR 127.A OH no hydrogen 2.672 N/A GLU 118.A N TYR 62.A O no hydrogen 2.824 N/A THR 119.A OG1 ASP 57.A OD2 no hydrogen 2.779 N/A THR 119.A OG1 LEU 121.A O no hydrogen 3.358 N/A TRP 120.A N ASP 57.A OD2 no hydrogen 3.307 N/A LYS 123.A NZ LYS 54.A O no hydrogen 2.950 N/A GLY 124.A N LEU 121.A O no hydrogen 3.049 N/A ARG 125.A N ASN 17.A O no hydrogen 2.915 N/A ARG 125.A NE ASP 57.A O no hydrogen 2.895 N/A ARG 125.A NH1 ASN 49.A OD1 no hydrogen 2.682 N/A ARG 125.A NH1 VAL 87.A O no hydrogen 2.837 N/A ARG 125.A NH2 ASP 57.A O no hydrogen 2.897 N/A ARG 125.A NH2 PRO 84.A O no hydrogen 2.585 N/A TYR 127.A N VAL 15.A O no hydrogen 2.742 N/A TYR 127.A OH THR 117.A OG1 no hydrogen 2.672 N/A SER 128.A N LYS 48.A O no hydrogen 2.946 N/A SER 128.A OG GLU 50.A OE2 no hydrogen 3.101 N/A VAL 129.A N PHE 12.A O no hydrogen 2.953 N/A ASP 130.A N PHE 46.A O no hydrogen 3.133 N/A PHE 131.A N ILE 9.A O no hydrogen 2.762 N/A ASP 132.A N LYS 44.A O no hydrogen 2.843 N/A ILE 133.A N VAL 7.A O no hydrogen 2.722 N/A VAL 134.A N THR 42.A O no hydrogen 2.841 N/A TYR 135.A N ASN 5.A O no hydrogen 2.874 N/A GLY 136.A N THR 39.A O no hydrogen 2.868 N/A TYR 142.A N SER 303.A O no hydrogen 2.928 N/A ALA 144.A N ALA 301.A O no hydrogen 2.891 N/A VAL 146.A N VAL 299.A O no hydrogen 3.165 N/A VAL 148.A N SER 297.A O no hydrogen 2.680 N/A ILE 149.A N SER 297.A O no hydrogen 3.216 N/A TYR 151.A N ILE 295.A O no hydrogen 2.771 N/A TYR 151.A OH GLY 168.A O no hydrogen 2.632 N/A ASN 152.A ND2 GLU 77.A OE1 no hydrogen 3.090 N/A SER 154.A OG ASP 157.A OD2 no hydrogen 2.761 N/A SER 155.A N GLU 118.A OE1 no hydrogen 3.086 N/A SER 155.A OG GLU 118.A OE1 no hydrogen 2.676 N/A SER 155.A OG GLU 118.A OE2 no hydrogen 3.261 N/A ASP 157.A N SER 154.A O no hydrogen 3.092 N/A GLY 158.A N SER 155.A O no hydrogen 3.340 N/A VAL 159.A N TYR 293.A O no hydrogen 2.891 N/A TYR 161.A N ALA 291.A O no hydrogen 2.863 N/A TYR 161.A OH GLN 280.A O no hydrogen 2.624 N/A LYS 171.A N TYR 275.A O no hydrogen 3.030 N/A ASN 172.A N THR 313.A O no hydrogen 2.770 N/A ASN 172.A ND2 ASN 314.A OXT no hydrogen 3.029 N/A ILE 173.A N PHE 273.A O no hydrogen 2.797 N/A GLN 174.A N VAL 311.A O no hydrogen 2.787 N/A LEU 175.A N SER 271.A O no hydrogen 3.172 N/A THR 179.A N PRO 176.A O no hydrogen 3.083 N/A THR 179.A OG1 PRO 176.A O no hydrogen 2.586 N/A GLU 180.A N LYS 302.A O no hydrogen 2.841 N/A LYS 181.A N LYS 302.A O no hydrogen 3.018 N/A TYR 183.A N ILE 300.A O no hydrogen 3.036 N/A TYR 183.A OH ASP 102.A OD1 no hydrogen 2.693 N/A LEU 184.A N ASP 262.A O no hydrogen 2.824 N/A ARG 185.A N PHE 298.A O no hydrogen 2.919 N/A ARG 185.A NH1 ASP 99.A O no hydrogen 3.344 N/A ARG 185.A NH1 ASP 102.A OD2 no hydrogen 2.931 N/A ARG 185.A NH2 ILE 78.A O no hydrogen 2.890 N/A ARG 185.A NH2 ASP 99.A O no hydrogen 2.961 N/A THR 186.A N ARG 260.A O no hydrogen 2.809 N/A THR 186.A OG1 SER 297.A OG no hydrogen 2.714 N/A THR 187.A N SER 296.A O no hydrogen 2.920 N/A SER 189.A N ALA 294.A O no hydrogen 2.998 N/A TRP 191.A N PHE 292.A O no hydrogen 2.861 N/A ALA 194.A N CYS 204.A O no hydrogen 2.768 N/A TYR 197.A OH ASN 288.A OD1 no hydrogen 3.313 N/A ASP 198.A N ARG 202.A O no hydrogen 2.796 N/A ARG 202.A N ASP 198.A O no hydrogen 3.422 N/A ARG 202.A NH1 TRP 207.A O no hydrogen 2.726 N/A ARG 202.A NH1 ASP 247.A O no hydrogen 2.944 N/A ARG 202.A NH2 ASP 247.A O no hydrogen 3.113 N/A CYS 204.A N ALA 194.A O no hydrogen 3.084 N/A ALA 205.A N TRP 191.A O no hydrogen 2.873 N/A GLU 206.A N GLY 192.A O no hydrogen 2.966 N/A TRP 207.A N GLY 203.A O no hydrogen 3.093 N/A CYS 208.A N GLY 203.A O no hydrogen 2.935 N/A ARG 210.A N LEU 226.A O no hydrogen 3.387 N/A ARG 210.A NE TYR 161.A OH no hydrogen 2.839 N/A ARG 210.A NH1 ASP 198.A OD2 no hydrogen 2.834 N/A ARG 210.A NH1 PHE 209.A O no hydrogen 2.823 N/A ARG 210.A NH2 ASP 198.A OD1 no hydrogen 3.067 N/A HIS 212.A N HIS 224.A O no hydrogen 2.816 N/A THR 213.A N LYS 278.A O no hydrogen 2.874 N/A ILE 214.A N PHE 222.A O no hydrogen 2.937 N/A ALA 215.A N GLU 276.A O no hydrogen 2.999 N/A ILE 216.A N ALA 219.A O no hydrogen 2.778 N/A ASN 217.A N SER 274.A O no hydrogen 2.926 N/A ALA 219.A N ILE 216.A O no hydrogen 2.936 N/A THR 221.A N ILE 214.A O no hydrogen 2.778 N/A THR 221.A OG1 ALA 219.A O no hydrogen 2.752 N/A PHE 222.A N ILE 214.A O no hydrogen 3.051 N/A HIS 224.A N HIS 212.A O no hydrogen 2.757 N/A HIS 224.A ND1 TYR 277.A OH no hydrogen 2.895 N/A HIS 224.A NE2 ASP 262.A OD2 no hydrogen 2.752 N/A LEU 226.A N ARG 210.A O no hydrogen 2.718 N/A GLY 230.A N ASP 247.A OD1 no hydrogen 2.746 N/A CYS 231.A N ASP 247.A OD1 no hydrogen 2.874 N/A CYS 231.A SG PRO 246.A O no hydrogen 3.545 N/A CYS 231.A SG ASP 247.A OD1 no hydrogen 3.658 N/A CYS 231.A SG TRP 251.A O no hydrogen 3.490 N/A ALA 233.A N GLY 230.A O no hydrogen 3.066 N/A ASN 234.A N CYS 231.A O no hydrogen 3.135 N/A ASN 238.A N ASN 238.A OD1 no hydrogen 2.642 N/A ASN 238.A ND2 GLU 90.A OE2 no hydrogen 3.078 N/A GLN 239.A NE2 ASN 234.A OD1 no hydrogen 3.442 N/A GLN 239.A NE2 ILE 236.A O no hydrogen 2.848 N/A GLN 239.A NE2 PRO 253.A O no hydrogen 3.242 N/A GLY 242.A N GLN 239.A O no hydrogen 2.994 N/A TRP 244.A N GLY 242.A O no hydrogen 2.798 N/A TRP 244.A NE1 SER 240.A OG no hydrogen 3.013 N/A ARG 248.A NE GLU 206.A OE2 no hydrogen 3.097 N/A ARG 248.A NH1 ASN 243.A O no hydrogen 2.928 N/A ARG 248.A NH1 PRO 246.A O no hydrogen 2.769 N/A ARG 248.A NH2 ASN 243.A O no hydrogen 2.699 N/A ALA 249.A N GLU 206.A O no hydrogen 2.903 N/A GLY 250.A N GLY 227.A O no hydrogen 2.849 N/A TRP 251.A NE1 GLY 190.A O no hydrogen 3.010 N/A GLY 254.A N ILE 82.A O no hydrogen 2.751 N/A GLY 254.A N THR 83.A O no hydrogen 3.246 N/A MET 255.A N ILE 82.A O no hydrogen 3.264 N/A VAL 257.A N ARG 80.A O no hydrogen 2.770 N/A ARG 260.A N THR 186.A O no hydrogen 2.729 N/A ARG 260.A NH1 GLN 225.A O no hydrogen 2.994 N/A ARG 260.A NH2 GLN 225.A O no hydrogen 3.176 N/A ASP 262.A N LEU 184.A O no hydrogen 2.967 N/A LEU 264.A N ALA 182.A O no hydrogen 2.970 N/A ASN 266.A ND2 GLU 180.A O no hydrogen 3.044 N/A SER 267.A N ASN 265.A OD1 no hydrogen 2.830 N/A SER 267.A OG ASN 265.A OD1 no hydrogen 2.720 N/A LEU 268.A N ASN 265.A O no hydrogen 2.862 N/A THR 269.A N ASN 266.A O no hydrogen 3.219 N/A THR 269.A OG1 THR 179.A O no hydrogen 3.524 N/A THR 269.A OG1 ASN 266.A O no hydrogen 3.347 N/A SER 271.A OG THR 269.A O no hydrogen 3.440 N/A PHE 273.A N ILE 173.A O no hydrogen 2.806 N/A SER 274.A N ASN 217.A OD1 no hydrogen 3.132 N/A TYR 275.A N LYS 171.A O no hydrogen 2.777 N/A TYR 275.A OH SER 297.A OG no hydrogen 2.790 N/A GLU 276.A N ALA 215.A O no hydrogen 3.125 N/A TYR 277.A N LEU 169.A O no hydrogen 2.923 N/A TYR 277.A OH HIS 224.A ND1 no hydrogen 2.895 N/A LYS 278.A N THR 213.A O no hydrogen 2.765 N/A LYS 278.A NZ ASN 220.A OD1 no hydrogen 2.834 N/A GLN 280.A N HIS 212.A ND1 no hydrogen 2.956 N/A ASN 284.A N GLY 162.A O no hydrogen 2.890 N/A ASN 284.A ND2 LYS 195.A O no hydrogen 2.848 N/A ASN 285.A N LYS 195.A O no hydrogen 2.828 N/A THR 287.A N ASN 285.A OD1 no hydrogen 3.008 N/A THR 287.A OG1 ASN 285.A OD1 no hydrogen 2.531 N/A PHE 292.A N TRP 191.A O no hydrogen 3.203 N/A TYR 293.A N VAL 159.A O no hydrogen 2.730 N/A ALA 294.A N SER 189.A O no hydrogen 2.878 N/A ILE 295.A N TYR 151.A O no hydrogen 2.993 N/A SER 296.A N THR 187.A O no hydrogen 3.078 N/A SER 296.A OG GLU 77.A OE1 no hydrogen 2.710 N/A SER 297.A N ILE 149.A O no hydrogen 2.890 N/A SER 297.A OG THR 186.A OG1 no hydrogen 2.714 N/A SER 297.A OG TYR 275.A OH no hydrogen 2.790 N/A PHE 298.A N ARG 185.A O no hydrogen 2.743 N/A VAL 299.A N VAL 146.A O no hydrogen 2.917 N/A ILE 300.A N TYR 183.A O no hydrogen 2.837 N/A ALA 301.A N ALA 144.A O no hydrogen 2.829 N/A LYS 302.A N LYS 181.A O no hydrogen 2.773 N/A LYS 302.A NZ TYR 183.A OH no hydrogen 2.992 N/A SER 303.A N TYR 142.A O no hydrogen 3.103 N/A SER 303.A OG ASN 178.A O no hydrogen 2.649 N/A SER 303.A OG ASN 178.A OD1 no hydrogen 3.039 N/A SER 303.A OG GLU 180.A OE2 no hydrogen 2.964 N/A SER 303.A OG THR 305.A O no hydrogen 3.454 N/A ASN 304.A N GLU 180.A OE2 no hydrogen 3.138 N/A ASN 304.A ND2 ASP 139.A O no hydrogen 3.156 N/A THR 305.A N SER 303.A OG no hydrogen 3.327 N/A THR 305.A OG1 ASN 178.A OD1 no hydrogen 2.989 N/A VAL 311.A N GLN 174.A O no hydrogen 2.961 N/A THR 313.A N ASN 172.A O no hydrogen 2.880 N/A THR 313.A OG1 ASN 172.A O no hydrogen 3.568 N/A