Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qq8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 2.A N THR 9.A OG1 no hydrogen 2.924 N/A GLN 3.A N ASN 5.A OD1.B no hydrogen 3.069 N/A GLN 3.A NE2 TYR 1.A O no hydrogen 3.347 N/A THR 9.A N ASN 5.A O.A no hydrogen 3.067 N/A THR 9.A N ASN 5.A O.B no hydrogen 2.954 N/A THR 9.A OG1 ASN 5.A O.A no hydrogen 2.866 N/A THR 9.A OG1 ASN 5.A O.B no hydrogen 3.035 N/A TRP 10.A N ALA 6.A O no hydrogen 2.820 N/A ASN 11.A N VAL 7.A O no hydrogen 2.786 N/A ASN 12.A N LEU 8.A O no hydrogen 2.787 N/A ASN 12.A ND2 TYR 1.A OH no hydrogen 3.002 N/A GLU 13.A N THR 9.A O no hydrogen 2.902 N/A ILE 14.A N THR 9.A O no hydrogen 2.902 N/A LEU 15.A N TRP 10.A O no hydrogen 2.823 N/A ASN 17.A N ILE 14.A O no hydrogen 2.883 N/A ASN 17.A ND2 GLU 13.A O no hydrogen 2.770 N/A TRP 18.A N LEU 15.A O no hydrogen 3.133 N/A ARG 26.A N SER 22.A O no hydrogen 2.968 N/A ARG 26.A NH2 ASP 219.A OD1 no hydrogen 3.044 N/A ASP 27.A N ARG 23.A O no hydrogen 3.200 N/A LEU 28.A N LYS 24.A O no hydrogen 3.375 N/A TRP 29.A N VAL 25.A O no hydrogen 2.881 N/A TRP 29.A NE1 ASP 214.A O no hydrogen 2.631 N/A TRP 30.A N ARG 26.A O no hydrogen 3.203 N/A GLN 31.A N LEU 28.A O no hydrogen 3.152 N/A GLN 31.A NE2 ASP 27.A O no hydrogen 3.648 N/A GLY 32.A N TRP 29.A O no hydrogen 3.109 N/A ILE 33.A N ASP 214.A OD2 no hydrogen 2.654 N/A VAL 37.A N PRO 34.A O no hydrogen 2.763 N/A ARG 38.A N PRO 34.A O no hydrogen 3.048 N/A ARG 38.A NE ASP 214.A OD1 no hydrogen 2.983 N/A ARG 38.A NE ASP 214.A OD2 no hydrogen 3.367 N/A ARG 38.A NH1 ASP 214.A OD2 no hydrogen 2.889 N/A VAL 41.A N VAL 37.A O no hydrogen 3.239 N/A TRP 42.A N ARG 38.A O no hydrogen 2.696 N/A TRP 42.A NE1 ASP 214.A OD1 no hydrogen 2.859 N/A SER 43.A N GLY 39.A O no hydrogen 2.911 N/A SER 43.A OG.A GLY 39.A O no hydrogen 2.906 N/A SER 43.A OG.A LYS 40.A O no hydrogen 2.877 N/A SER 43.A OG.B GLY 39.A O no hydrogen 2.986 N/A LEU 44.A N LYS 40.A O no hydrogen 3.215 N/A ALA 45.A N VAL 41.A O no hydrogen 2.923 N/A ILE 46.A N TRP 42.A O no hydrogen 2.775 N/A GLY 47.A N SER 43.A O no hydrogen 2.916 N/A ASN 48.A ND2 ILE 52.A O no hydrogen 2.811 N/A LEU 50.A N ASN 141.A OD1 no hydrogen 2.999 N/A ASN 51.A N ASN 48.A O no hydrogen 2.926 N/A ILE 52.A N ASN 48.A OD1 no hydrogen 2.972 N/A HIS 54.A NE2 ASP 134.A OD1 no hydrogen 2.785 N/A LEU 56.A N THR 53.A OG1 no hydrogen 2.948 N/A PHE 57.A N THR 53.A O no hydrogen 3.176 N/A ASP 58.A N HIS 54.A O no hydrogen 2.874 N/A ILE 59.A N GLU 55.A O no hydrogen 3.024 N/A CYS 60.A N LEU 56.A O no hydrogen 2.893 N/A CYS 60.A SG LEU 56.A O no hydrogen 3.508 N/A LEU 61.A N PHE 57.A O no hydrogen 2.833 N/A ALA 62.A N ASP 58.A O no hydrogen 2.898 N/A ARG 63.A N ILE 59.A O no hydrogen 2.959 N/A ARG 63.A NH2 CYS 108.A O no hydrogen 3.534 N/A ALA 64.A N CYS 60.A O no hydrogen 2.977 N/A LYS 65.A N LEU 61.A O no hydrogen 2.812 N/A GLU 66.A N ALA 62.A O no hydrogen 3.006 N/A ARG 67.A N ARG 63.A O no hydrogen 2.891 N/A TRP 68.A N ALA 64.A O no hydrogen 2.927 N/A LEU 74.A N ALA 70.A O no hydrogen 3.126 N/A ILE 75.A N SER 71.A O no hydrogen 2.866 N/A LYS 76.A N LEU 72.A O no hydrogen 2.884 N/A LEU 77.A N GLU 73.A O no hydrogen 3.074 N/A ASP 78.A N LEU 74.A O no hydrogen 2.986 N/A ILE 79.A N ILE 75.A O no hydrogen 2.880 N/A SER 80.A N LYS 76.A O no hydrogen 3.036 N/A SER 80.A OG.A LYS 76.A O no hydrogen 3.005 N/A SER 80.A OG.B LEU 77.A O no hydrogen 2.543 N/A ARG 81.A N LEU 77.A O no hydrogen 3.326 N/A ARG 81.A N ASP 78.A O no hydrogen 3.082 N/A ARG 81.A NE ASP 78.A OD1 no hydrogen 2.956 N/A ARG 81.A NH1 ASP 78.A OD1 no hydrogen 2.882 N/A THR 82.A N ILE 79.A O no hydrogen 3.021 N/A THR 82.A OG1 ASP 78.A O no hydrogen 2.665 N/A THR 82.A OG1 SER 120.A OG no hydrogen 2.689 N/A LEU 86.A N PHE 83.A O no hydrogen 3.033 N/A CYS 87.A N PRO 84.A O no hydrogen 3.148 N/A CYS 87.A SG PRO 84.A O no hydrogen 3.618 N/A CYS 87.A SG ASN 85.A O no hydrogen 3.859 N/A GLN 90.A NE2 ILE 79.A O no hydrogen 2.802 N/A GLN 90.A NE2 THR 82.A O no hydrogen 2.797 N/A GLY 93.A N GLN 90.A O no hydrogen 2.785 N/A TYR 95.A N ILE 88.A O no hydrogen 2.986 N/A HIS 96.A N GLY 93.A O no hydrogen 3.327 N/A HIS 96.A ND1 PHE 89.A O no hydrogen 2.617 N/A LEU 99.A N TYR 95.A O no hydrogen 2.942 N/A HIS 100.A N HIS 96.A O no hydrogen 2.934 N/A SER 101.A N ASP 97.A O no hydrogen 2.909 N/A SER 101.A OG ASP 97.A O no hydrogen 2.662 N/A ILE 102.A N MET 98.A O no hydrogen 2.992 N/A LEU 103.A N LEU 99.A O no hydrogen 3.172 N/A GLY 104.A N HIS 100.A O no hydrogen 2.840 N/A ALA 105.A N SER 101.A O no hydrogen 2.915 N/A TYR 106.A N ILE 102.A O no hydrogen 2.963 N/A THR 107.A N LEU 103.A O no hydrogen 3.022 N/A THR 107.A OG1 GLY 104.A O no hydrogen 2.990 N/A CYS 108.A N GLY 104.A O no hydrogen 3.273 N/A CYS 108.A N ALA 105.A O no hydrogen 3.004 N/A CYS 108.A SG GLY 104.A O no hydrogen 3.759 N/A TYR 109.A N ALA 105.A O no hydrogen 2.926 N/A ARG 110.A N TYR 106.A O no hydrogen 2.851 N/A ARG 110.A NE ASP 112.A OD1 no hydrogen 2.996 N/A ARG 110.A NH2 ASP 112.A OD1 no hydrogen 3.515 N/A ARG 110.A NH2 ASP 112.A OD2 no hydrogen 2.786 N/A VAL 113.A N ARG 110.A O no hydrogen 2.931 N/A GLY 114.A N ARG 110.A O no hydrogen 2.940 N/A TYR 115.A OH ASP 78.A OD2 no hydrogen 2.459 N/A GLY 118.A N ASP 78.A OD2 no hydrogen 2.777 N/A MET 119.A N VAL 116.A O no hydrogen 2.947 N/A SER 120.A N TYR 115.A OH no hydrogen 2.920 N/A SER 120.A OG THR 82.A OG1 no hydrogen 2.689 N/A SER 120.A OG TYR 115.A OH no hydrogen 3.367 N/A PHE 121.A N GLY 118.A O no hydrogen 3.176 N/A ALA 123.A N MET 119.A O no hydrogen 3.050 N/A ALA 124.A N SER 120.A O no hydrogen 2.837 N/A VAL 125.A N PHE 121.A O no hydrogen 3.170 N/A LEU 126.A N ILE 122.A O no hydrogen 3.217 N/A ILE 127.A N ALA 123.A O no hydrogen 2.826 N/A LEU 128.A N ALA 124.A O no hydrogen 3.152 N/A ASN 129.A N LEU 126.A O no hydrogen 3.006 N/A ASN 129.A ND2 VAL 125.A O no hydrogen 2.894 N/A ALA 135.A N ASP 131.A O no hydrogen 2.824 N/A PHE 136.A N THR 132.A O no hydrogen 2.863 N/A ILE 137.A N ALA 133.A O no hydrogen 2.987 N/A ALA 138.A N ASP 134.A O no hydrogen 2.963 N/A PHE 139.A N ALA 135.A O no hydrogen 2.781 N/A SER 140.A N PHE 136.A O no hydrogen 3.043 N/A SER 140.A OG PHE 136.A O no hydrogen 2.968 N/A ASN 141.A N ILE 137.A O no hydrogen 3.096 N/A ASN 141.A ND2 ASN 48.A OD1 no hydrogen 2.986 N/A ASN 141.A ND2 ILE 137.A O no hydrogen 2.765 N/A LEU 142.A N ALA 138.A O no hydrogen 2.784 N/A LEU 143.A N PHE 139.A O no hydrogen 3.004 N/A ASN 144.A N ASN 141.A O no hydrogen 3.174 N/A ASN 144.A ND2 GLU 49.A OE2 no hydrogen 2.903 N/A LYS 145.A N LEU 142.A O no hydrogen 3.137 N/A LYS 145.A NZ ILE 46.A O no hydrogen 2.736 N/A GLN 148.A NE2 ILE 196.A O no hydrogen 2.906 N/A MET 149.A N LYS 145.A O no hydrogen 2.893 N/A ALA 150.A N PRO 146.A O no hydrogen 3.071 N/A PHE 151.A N CYS 147.A O no hydrogen 3.172 N/A PHE 152.A N MET 149.A O no hydrogen 3.176 N/A ARG 153.A N MET 149.A O no hydrogen 2.937 N/A GLY 157.A N ASP 155.A OD1 no hydrogen 3.008 N/A LEU 160.A N HIS 156.A O no hydrogen 2.906 N/A THR 161.A N LEU 158.A O no hydrogen 3.004 N/A THR 161.A OG1 LEU 158.A O no hydrogen 2.785 N/A TYR 162.A N LEU 158.A O no hydrogen 3.259 N/A TYR 162.A OH GLU 221.A OE1 no hydrogen 2.578 N/A PHE 163.A N MET 159.A O no hydrogen 2.958 N/A ALA 164.A N LEU 160.A O no hydrogen 2.975 N/A ALA 165.A N THR 161.A O no hydrogen 2.988 N/A PHE 166.A N TYR 162.A O no hydrogen 2.843 N/A GLU 167.A N PHE 163.A O no hydrogen 2.877 N/A VAL 168.A N ALA 164.A O no hydrogen 3.114 N/A PHE 169.A N ALA 165.A O no hydrogen 3.342 N/A PHE 170.A N PHE 166.A O no hydrogen 2.850 N/A GLU 171.A N GLU 167.A O no hydrogen 2.968 N/A GLU 172.A N VAL 168.A O no hydrogen 3.072 N/A ASN 173.A N PHE 169.A O no hydrogen 2.928 N/A ASN 173.A ND2 PHE 169.A O no hydrogen 2.781 N/A ASN 173.A ND2 GLN 271.A O no hydrogen 2.938 N/A LEU 174.A N PHE 170.A O no hydrogen 2.784 N/A PHE 178.A N LEU 174.A O no hydrogen 2.934 N/A ALA 179.A N PRO 175.A O no hydrogen 3.072 N/A HIS 180.A N LYS 176.A O no hydrogen 3.037 N/A HIS 180.A NE2 MET 242.A O no hydrogen 3.139 N/A PHE 181.A N LEU 177.A O no hydrogen 2.763 N/A LYS 182.A N PHE 178.A O no hydrogen 2.893 N/A LYS 183.A N ALA 179.A O no hydrogen 2.855 N/A ASN 184.A N HIS 180.A O no hydrogen 3.194 N/A ASN 184.A N PHE 181.A O no hydrogen 3.144 N/A ASN 184.A ND2 HIS 180.A O no hydrogen 2.776 N/A ASN 185.A N LYS 182.A O no hydrogen 3.209 N/A LEU 186.A N PHE 181.A O no hydrogen 2.996 N/A THR 187.A OG1 ASP 189.A OD1 no hydrogen 2.634 N/A ILE 190.A N THR 187.A O no hydrogen 3.030 N/A TYR 191.A N PRO 188.A O no hydrogen 3.231 N/A LEU 192.A N PRO 188.A O no hydrogen 2.805 N/A ILE 196.A N LEU 192.A O no hydrogen 2.982 N/A PHE 197.A N ILE 193.A O no hydrogen 2.920 N/A THR 198.A N ASP 194.A O no hydrogen 3.213 N/A THR 198.A OG1 ASP 194.A O no hydrogen 2.883 N/A LEU 199.A N ILE 196.A O no hydrogen 3.288 N/A TYR 200.A N TRP 195.A O no hydrogen 2.864 N/A TYR 200.A OH LEU 224.A O no hydrogen 2.693 N/A SER 201.A N THR 198.A O no hydrogen 3.022 N/A SER 201.A OG THR 198.A O no hydrogen 2.576 N/A LYS 202.A N THR 198.A OG1 no hydrogen 3.165 N/A LYS 202.A NZ ASP 194.A OD1 no hydrogen 3.232 N/A SER 203.A N TYR 200.A O no hydrogen 3.009 N/A LEU 204.A N TYR 200.A O no hydrogen 3.027 N/A ALA 209.A N PRO 205.A O no hydrogen 3.015 N/A CYS 210.A N LEU 206.A O no hydrogen 2.887 N/A CYS 210.A SG LEU 206.A O no hydrogen 3.323 N/A ARG 211.A N ASP 207.A O no hydrogen 3.229 N/A ARG 211.A NE TRP 30.A O no hydrogen 2.970 N/A ARG 211.A NH2 TRP 30.A O no hydrogen 2.885 N/A ILE 212.A N LEU 208.A O no hydrogen 3.053 N/A TRP 213.A N ALA 209.A O no hydrogen 2.859 N/A TRP 213.A NE1 LEU 199.A O no hydrogen 2.815 N/A ASP 214.A N CYS 210.A O no hydrogen 2.984 N/A VAL 215.A N ARG 211.A O no hydrogen 3.281 N/A PHE 216.A N ILE 212.A O no hydrogen 2.852 N/A CYS 217.A N TRP 213.A O no hydrogen 2.895 N/A CYS 217.A SG TRP 213.A O no hydrogen 3.333 N/A ARG 218.A N ASP 214.A O no hydrogen 3.238 N/A ARG 218.A NE ASP 219.A OD1 no hydrogen 2.850 N/A ARG 218.A NH1 ARG 26.A O no hydrogen 2.764 N/A ARG 218.A NH2 ASP 219.A OD2 no hydrogen 2.898 N/A ASP 219.A N VAL 215.A O no hydrogen 2.806 N/A GLY 220.A N PHE 216.A O no hydrogen 2.844 N/A PHE 223.A N GLY 220.A O no hydrogen 2.962 N/A LEU 224.A N GLU 221.A O no hydrogen 2.956 N/A ARG 226.A N GLU 222.A O no hydrogen 2.973 N/A ARG 226.A NE ILE 267.A O no hydrogen 3.081 N/A ARG 226.A NE ILE 270.A O no hydrogen 2.947 N/A ARG 226.A NH2 ALA 268.A O no hydrogen 3.293 N/A ARG 226.A NH2 ILE 270.A O no hydrogen 3.100 N/A THR 227.A N PHE 223.A O no hydrogen 2.871 N/A THR 227.A OG1 PHE 223.A O no hydrogen 2.910 N/A ALA 228.A N LEU 224.A O no hydrogen 3.166 N/A LEU 229.A N PHE 225.A O no hydrogen 3.034 N/A GLY 230.A N ARG 226.A O no hydrogen 2.858 N/A ILE 231.A N THR 227.A O no hydrogen 2.889 N/A LEU 232.A N ALA 228.A O no hydrogen 3.060 N/A LYS 233.A N LEU 229.A O no hydrogen 2.848 N/A LYS 233.A NZ THR 269.A OG1 no hydrogen 2.789 N/A LEU 234.A N GLY 230.A O no hydrogen 2.888 N/A PHE 235.A N ILE 231.A O no hydrogen 3.081 N/A GLU 236.A N LYS 233.A O no hydrogen 3.262 N/A LEU 239.A N PHE 235.A O no hydrogen 2.917 N/A THR 240.A N GLU 236.A O no hydrogen 2.999 N/A THR 240.A OG1 GLU 236.A O no hydrogen 2.682 N/A LYS 241.A N ILE 238.A O no hydrogen 3.103 N/A MET 242.A N LEU 239.A O no hydrogen 2.903 N/A HIS 246.A N ASP 243.A OD1 no hydrogen 3.150 N/A HIS 246.A ND1 ASP 243.A OD1 no hydrogen 2.771 N/A MET 247.A N ASP 243.A O no hydrogen 2.936 N/A ALA 248.A N PHE 244.A O no hydrogen 2.976 N/A GLN 249.A N ILE 245.A O no hydrogen 2.998 N/A GLN 249.A NE2 ILE 245.A O no hydrogen 3.341 N/A PHE 250.A N HIS 246.A O no hydrogen 2.931 N/A LEU 251.A N MET 247.A O no hydrogen 2.912 N/A THR 252.A N ALA 248.A O no hydrogen 3.059 N/A THR 252.A OG1 ALA 248.A O no hydrogen 2.776 N/A THR 252.A OG1 GLN 249.A O no hydrogen 3.457 N/A LEU 258.A N PRO 255.A O no hydrogen 3.226 N/A LEU 263.A N PRO 259.A O no hydrogen 3.084 N/A PHE 264.A N ALA 260.A O no hydrogen 2.882 N/A ALA 265.A N GLU 261.A O no hydrogen 3.056 N/A SER 266.A N GLU 262.A O no hydrogen 3.102 N/A SER 266.A OG GLY 230.A O no hydrogen 2.609 N/A ILE 267.A N LEU 263.A O no hydrogen 2.810 N/A ALA 268.A N PHE 264.A O no hydrogen 2.952 N/A THR 269.A N SER 266.A O no hydrogen 3.133 N/A THR 269.A OG1 SER 266.A O no hydrogen 2.729 N/A ILE 270.A N ILE 267.A O no hydrogen 3.037 N/A GLN 271.A N ASN 173.A OD1 no hydrogen 2.948 N/A GLN 271.A NE2 ALA 268.A O no hydrogen 2.965 N/A SER 274.A N LYS 277.A O no hydrogen 2.856 N/A SER 274.A OG GLU 172.A OE1 no hydrogen 2.441 N/A LYS 277.A N SER 274.A O no hydrogen 2.892 N/A LYS 278.A N GLN 281.A OE1 no hydrogen 2.922 N/A TRP 279.A NE1 GLU 221.A OE2 no hydrogen 2.946 N/A VAL 282.A N LYS 278.A O no hydrogen 3.000 N/A LEU 283.A N TRP 279.A O no hydrogen 2.890 N/A THR 284.A N ALA 280.A O no hydrogen 2.978 N/A THR 284.A OG1 ALA 280.A O no hydrogen 2.717 N/A ALA 285.A N GLN 281.A O no hydrogen 3.031 N/A LEU 286.A N VAL 282.A O no hydrogen 3.081 N/A GLN 287.A N THR 284.A O no hydrogen 3.114 N/A GLN 287.A NE2 THR 161.A OG1 no hydrogen 3.314 N/A