Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1k6i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N GLN 1.A OE1 no hydrogen 2.855 N/A LYS 3.A NZ VAL 26.A O no hydrogen 3.197 N/A LYS 4.A NZ GLN 104.A OE1 no hydrogen 2.884 N/A ILE 6.A N HIS 29.A O no hydrogen 2.994 N/A ALA 7.A N LEU 74.A O no hydrogen 2.798 N/A VAL 8.A N ARG 31.A O no hydrogen 2.880 N/A ASN 10.A N GLN 33.A OE1 no hydrogen 2.910 N/A ALA 11.A N GLN 33.A O no hydrogen 2.991 N/A GLY 13.A N ASN 10.A O no hydrogen 2.820 N/A ARG 14.A NE ASN 153.A OD1 no hydrogen 2.970 N/A ARG 14.A NH1 ASN 154.A OD1 no hydrogen 3.556 N/A ARG 14.A NH2 ASN 153.A OD1 no hydrogen 2.750 N/A ARG 14.A NH2 ASN 154.A OD1 no hydrogen 3.189 N/A GLN 15.A NE2 TYR 151.A OH no hydrogen 2.825 N/A ALA 17.A N GLY 13.A O no hydrogen 2.876 N/A SER 18.A N ARG 14.A O no hydrogen 3.166 N/A SER 18.A OG ALA 190.A O no hydrogen 3.044 N/A SER 18.A OG GLU 191.A O no hydrogen 2.723 N/A LEU 19.A N GLN 15.A O no hydrogen 3.197 N/A ILE 20.A N ALA 16.A O no hydrogen 2.869 N/A ARG 21.A N ALA 17.A O no hydrogen 3.101 N/A ARG 21.A NE GLU 44.A OE2 no hydrogen 2.826 N/A ARG 21.A NH2 GLU 44.A OE1 no hydrogen 2.970 N/A VAL 22.A N SER 18.A O no hydrogen 3.425 N/A ALA 23.A N LEU 19.A O no hydrogen 2.848 N/A ALA 24.A N ILE 20.A O no hydrogen 2.943 N/A ALA 25.A N ARG 21.A O no hydrogen 3.138 N/A VAL 26.A N VAL 22.A O no hydrogen 3.114 N/A VAL 26.A N ALA 23.A O no hydrogen 3.278 N/A GLY 27.A N ALA 24.A O no hydrogen 3.062 N/A HIS 28.A N ALA 23.A O no hydrogen 2.865 N/A HIS 28.A ND1 LYS 4.A O no hydrogen 2.763 N/A VAL 30.A N ASN 50.A O no hydrogen 2.778 N/A ARG 31.A N ILE 6.A O no hydrogen 2.908 N/A ARG 31.A NE LEU 68.A O no hydrogen 2.776 N/A ARG 31.A NH2 THR 67.A O no hydrogen 2.695 N/A ALA 32.A N THR 52.A O no hydrogen 2.879 N/A GLN 33.A N VAL 8.A O no hydrogen 2.870 N/A GLN 33.A NE2 GLY 56.A O no hydrogen 2.910 N/A VAL 34.A N PHE 54.A O no hydrogen 3.185 N/A GLY 39.A N GLU 43.A OE1 no hydrogen 3.314 N/A GLU 43.A N GLY 39.A O no hydrogen 2.840 N/A GLU 44.A N LEU 40.A O no hydrogen 2.888 N/A LEU 45.A N ILE 41.A O no hydrogen 2.671 N/A GLN 46.A N ALA 42.A O no hydrogen 2.818 N/A ALA 47.A N GLU 43.A O no hydrogen 3.351 N/A ALA 47.A N GLU 44.A O no hydrogen 3.336 N/A ILE 48.A N LEU 45.A O no hydrogen 3.202 N/A VAL 51.A N ILE 48.A O no hydrogen 2.992 N/A THR 52.A N VAL 30.A O no hydrogen 2.856 N/A PHE 54.A N ALA 32.A O no hydrogen 2.882 N/A GLN 55.A N GLN 55.A OE1 no hydrogen 2.542 N/A GLY 56.A N VAL 34.A O no hydrogen 2.963 N/A ASN 61.A N LEU 58.A O no hydrogen 3.249 N/A ASN 61.A ND2 PRO 57.A O no hydrogen 2.847 N/A LEU 64.A N ASN 61.A O no hydrogen 3.087 N/A LEU 64.A N ASN 61.A OD1 no hydrogen 3.267 N/A ASP 66.A N VAL 62.A O no hydrogen 2.819 N/A THR 67.A N PRO 63.A O no hydrogen 2.958 N/A THR 67.A OG1 PRO 63.A O no hydrogen 3.241 N/A LEU 68.A N LEU 64.A O no hydrogen 2.855 N/A PHE 69.A N MET 65.A O no hydrogen 3.153 N/A GLU 70.A N THR 67.A O no hydrogen 3.242 N/A ALA 72.A N PHE 69.A O no hydrogen 2.992 N/A HIS 73.A N THR 5.A O no hydrogen 2.936 N/A LEU 74.A N THR 5.A O no hydrogen 3.114 N/A ALA 75.A N HIS 105.A O no hydrogen 3.024 N/A PHE 76.A N ALA 7.A O no hydrogen 3.028 N/A ILE 77.A N ILE 107.A O no hydrogen 2.699 N/A THR 79.A OG1 GLU 86.A OE2 no hydrogen 2.878 N/A THR 79.A OG1 TYR 108.A OH no hydrogen 3.046 N/A GLY 84.A N SER 81.A O no hydrogen 2.821 N/A ILE 89.A N ASP 85.A O no hydrogen 2.870 N/A GLY 90.A N GLU 86.A O no hydrogen 2.892 N/A LYS 91.A N ILE 87.A O no hydrogen 3.021 N/A ASP 92.A N ALA 88.A O no hydrogen 2.940 N/A LEU 93.A N ILE 89.A O no hydrogen 2.926 N/A ALA 94.A N GLY 90.A O no hydrogen 3.143 N/A ASP 95.A N LYS 91.A O no hydrogen 2.863 N/A ALA 96.A N ASP 92.A O no hydrogen 2.771 N/A ALA 97.A N LEU 93.A O no hydrogen 2.896 N/A LYS 98.A N ALA 94.A O no hydrogen 3.032 N/A LYS 98.A NZ GLY 140.A O no hydrogen 2.584 N/A ARG 99.A N ASP 95.A O no hydrogen 2.915 N/A ARG 99.A NH2 ASP 66.A OD1 no hydrogen 3.008 N/A ALA 100.A N ALA 96.A O no hydrogen 2.981 N/A GLY 101.A N LYS 98.A O no hydrogen 2.921 N/A THR 102.A OG1 ALA 72.A O no hydrogen 2.638 N/A GLN 104.A N HIS 73.A O no hydrogen 2.640 N/A TYR 106.A N PRO 142.A O no hydrogen 2.860 N/A ILE 107.A N ALA 75.A O no hydrogen 2.772 N/A TYR 108.A N THR 144.A O no hydrogen 2.864 N/A TYR 108.A OH THR 79.A OG1 no hydrogen 3.046 N/A SER 109.A N ILE 77.A O no hydrogen 2.799 N/A SER 109.A OG GLN 15.A OE1 no hydrogen 2.729 N/A SER 110.A N VAL 146.A O no hydrogen 2.901 N/A SER 110.A OG GLU 133.A OE1 no hydrogen 2.619 N/A SER 115.A N ASP 113.A OD1 no hydrogen 3.313 N/A SER 115.A OG ASP 113.A OD1 no hydrogen 2.916 N/A LEU 116.A N ASP 113.A O no hydrogen 3.055 N/A TYR 117.A N HIS 114.A O no hydrogen 2.914 N/A TRP 120.A N GLY 118.A O no hydrogen 2.606 N/A MET 125.A N GLN 259.A OE1 no hydrogen 2.838 N/A TRP 126.A N VAL 123.A O no hydrogen 2.926 N/A ALA 127.A N VAL 123.A O no hydrogen 3.106 N/A LYS 129.A N TRP 126.A O no hydrogen 2.892 N/A LYS 129.A NZ GLU 86.A OE2 no hydrogen 2.758 N/A PHE 130.A N ALA 127.A O no hydrogen 2.904 N/A THR 131.A N ALA 127.A O no hydrogen 3.380 N/A VAL 132.A N PRO 128.A O no hydrogen 3.223 N/A GLU 133.A N LYS 129.A O no hydrogen 2.873 N/A ASN 134.A N PHE 130.A O no hydrogen 2.966 N/A TYR 135.A N THR 131.A O no hydrogen 3.104 N/A TYR 135.A OH ASP 95.A OD1 no hydrogen 2.549 N/A TYR 135.A OH ASP 95.A OD2 no hydrogen 3.039 N/A VAL 136.A N VAL 132.A O no hydrogen 2.933 N/A ARG 137.A N GLU 133.A O no hydrogen 3.051 N/A ARG 137.A NE GLU 133.A OE2 no hydrogen 3.234 N/A ARG 137.A NH1 GLY 211.A O no hydrogen 2.983 N/A ARG 137.A NH2 GLU 133.A OE2 no hydrogen 3.033 N/A ARG 137.A NH2 GLY 211.A O no hydrogen 3.143 N/A GLN 138.A N TYR 135.A O no hydrogen 3.008 N/A LEU 139.A N VAL 136.A O no hydrogen 3.044 N/A SER 143.A N ASN 210.A OD1 no hydrogen 2.974 N/A THR 144.A N TYR 106.A O no hydrogen 2.971 N/A THR 144.A OG1 TRP 209.A O no hydrogen 2.620 N/A PHE 145.A N HIS 212.A O no hydrogen 2.860 N/A VAL 146.A N TYR 108.A O no hydrogen 3.062 N/A TYR 147.A N ILE 214.A O no hydrogen 2.785 N/A TYR 147.A OH GLU 133.A OE1 no hydrogen 2.539 N/A GLY 149.A N LEU 216.A O no hydrogen 3.003 N/A ILE 150.A N PRO 186.A O no hydrogen 2.795 N/A ASN 152.A N LEU 188.A O no hydrogen 2.764 N/A ASN 153.A ND2 GLU 308.A OE2 no hydrogen 3.177 N/A ASN 154.A N TYR 151.A O no hydrogen 3.081 N/A PHE 155.A N ASN 152.A O no hydrogen 3.266 N/A THR 156.A N PHE 163.A O no hydrogen 3.390 N/A THR 156.A OG1 GLU 309.A OE2 no hydrogen 3.215 N/A SER 157.A N GLU 309.A OE2 no hydrogen 2.722 N/A SER 157.A OG GLU 309.A OE1 no hydrogen 2.430 N/A SER 157.A OG GLU 309.A OE2 no hydrogen 3.508 N/A LEU 158.A N THR 156.A OG1 no hydrogen 3.066 N/A TYR 160.A N LEU 158.A O no hydrogen 2.815 N/A PHE 163.A N PRO 161.A O no hydrogen 2.716 N/A MET 165.A N THR 156.A O no hydrogen 2.787 N/A GLU 166.A N GLU 174.A O no hydrogen 2.938 N/A MET 168.A N THR 172.A O no hydrogen 2.751 N/A GLY 171.A N MET 168.A O no hydrogen 2.922 N/A THR 172.A N ASP 170.A OD1 no hydrogen 3.220 N/A THR 172.A OG1 ASP 170.A OD1 no hydrogen 2.668 N/A THR 172.A OG1 ASP 170.A OD2 no hydrogen 3.445 N/A PHE 173.A N ARG 237.A O no hydrogen 2.993 N/A GLU 174.A N GLU 166.A O no hydrogen 2.854 N/A TRP 175.A N THR 239.A O no hydrogen 3.097 N/A TRP 175.A NE1 LEU 162.A O no hydrogen 2.740 N/A ALA 177.A N VAL 241.A O no hydrogen 3.253 N/A ASP 182.A N ASP 180.A OD1 no hydrogen 2.881 N/A LEU 185.A N LEU 221.A O no hydrogen 2.735 N/A TRP 187.A N GLU 219.A O no hydrogen 3.042 N/A TRP 187.A NE1 LEU 221.A O no hydrogen 2.993 N/A LEU 188.A N ILE 150.A O no hydrogen 2.674 N/A HIS 192.A N ASP 189.A OD1 no hydrogen 3.078 N/A ASP 193.A N ASP 189.A O no hydrogen 2.852 N/A VAL 194.A N ALA 190.A O no hydrogen 3.233 N/A GLY 195.A N SER 18.A OG no hydrogen 2.827 N/A ALA 197.A N ASP 193.A O no hydrogen 3.379 N/A LEU 198.A N VAL 194.A O no hydrogen 3.026 N/A LEU 199.A N GLY 195.A O no hydrogen 3.046 N/A GLN 200.A N PRO 196.A O no hydrogen 3.114 N/A ILE 201.A N ALA 197.A O no hydrogen 3.145 N/A PHE 202.A N LEU 198.A O no hydrogen 3.111 N/A LYS 203.A N LEU 199.A O no hydrogen 2.867 N/A ASP 204.A N GLN 200.A O no hydrogen 2.794 N/A GLY 205.A N ILE 201.A O no hydrogen 3.079 N/A TRP 209.A N GLY 205.A O no hydrogen 3.270 N/A TRP 209.A NE1 ASP 204.A OD1 no hydrogen 3.011 N/A ASN 210.A N PRO 206.A O no hydrogen 2.712 N/A GLY 211.A N SER 143.A O no hydrogen 2.722 N/A HIS 212.A N TRP 209.A O no hydrogen 3.030 N/A ARG 213.A NE GLU 133.A OE2 no hydrogen 2.602 N/A ARG 213.A NH1 GLU 279.A OE2 no hydrogen 2.689 N/A ILE 214.A N PHE 145.A O no hydrogen 2.767 N/A LEU 216.A N TYR 147.A O no hydrogen 2.651 N/A THR 217.A OG1 TRP 187.A O no hydrogen 2.886 N/A LEU 221.A N LEU 185.A O no hydrogen 2.918 N/A SER 222.A N GLN 225.A OE1 no hydrogen 2.930 N/A SER 222.A OG GLN 225.A OE1 no hydrogen 3.272 N/A VAL 224.A N PRO 181.A O no hydrogen 3.231 N/A GLN 225.A N SER 222.A OG no hydrogen 3.216 N/A VAL 226.A N SER 222.A O no hydrogen 2.929 N/A CYS 227.A N PRO 223.A O no hydrogen 2.972 N/A CYS 227.A SG PRO 223.A O no hydrogen 3.570 N/A ALA 228.A N VAL 224.A O no hydrogen 3.227 N/A ALA 229.A N GLN 225.A O no hydrogen 3.171 N/A ALA 229.A N VAL 226.A O no hydrogen 2.914 N/A PHE 230.A N VAL 226.A O no hydrogen 3.084 N/A SER 231.A N CYS 227.A O no hydrogen 2.830 N/A SER 231.A OG ARG 236.A O no hydrogen 2.595 N/A ARG 232.A N ALA 228.A O no hydrogen 3.034 N/A ALA 233.A N ALA 229.A O no hydrogen 2.865 N/A LEU 234.A N PHE 230.A O no hydrogen 2.697 N/A ARG 236.A N SER 231.A O no hydrogen 3.291 N/A ARG 236.A NH1 GLY 171.A O no hydrogen 2.868 N/A THR 239.A N PHE 173.A O no hydrogen 3.064 N/A TYR 240.A OH PHE 179.A O no hydrogen 2.527 N/A VAL 241.A N TRP 175.A O no hydrogen 2.874 N/A VAL 243.A N ALA 177.A O no hydrogen 2.814 N/A VAL 246.A N GLU 264.A OE2 no hydrogen 2.702 N/A ARG 257.A N PRO 253.A O no hydrogen 3.104 N/A GLU 258.A N VAL 254.A O no hydrogen 3.137 N/A GLN 259.A N GLY 255.A O no hydrogen 3.073 N/A LEU 260.A N TYR 256.A O no hydrogen 2.934 N/A GLU 261.A N ARG 257.A O no hydrogen 2.916 N/A ALA 262.A N GLU 258.A O no hydrogen 3.099 N/A ILE 263.A N GLN 259.A O no hydrogen 3.009 N/A GLU 264.A N LEU 260.A O no hydrogen 2.890 N/A VAL 265.A N GLU 261.A O no hydrogen 3.246 N/A VAL 266.A N ALA 262.A O no hydrogen 2.878 N/A PHE 267.A N ILE 263.A O no hydrogen 2.959 N/A GLY 268.A N ILE 263.A O no hydrogen 3.412 N/A GLU 269.A N GLU 264.A O no hydrogen 2.739 N/A HIS 270.A N VAL 265.A O no hydrogen 2.962 N/A HIS 270.A ND1 VAL 265.A O no hydrogen 2.888 N/A LYS 271.A NZ GLY 268.A O no hydrogen 3.337 N/A ALA 272.A N VAL 266.A O no hydrogen 2.927 N/A PHE 280.A N LEU 277.A O no hydrogen 2.953 N/A SER 281.A N PRO 278.A O no hydrogen 3.210 N/A SER 281.A OG PHE 280.A O no hydrogen 2.611 N/A ARG 282.A N ASP 285.A OD2 no hydrogen 2.787 N/A ASP 285.A N ARG 282.A O no hydrogen 2.962 N/A ARG 288.A N THR 284.A O no hydrogen 3.081 N/A ARG 288.A NE PHE 218.A O no hydrogen 2.728 N/A ARG 288.A NH2 PHE 218.A O no hydrogen 2.700 N/A LYS 289.A N ASP 285.A O no hydrogen 3.112 N/A LYS 289.A N GLU 286.A O no hydrogen 3.057 N/A LYS 289.A NZ GLU 286.A OE1 no hydrogen 2.948 N/A LEU 290.A N GLU 286.A O no hydrogen 2.928 N/A TRP 291.A N ALA 287.A O no hydrogen 2.964 N/A TRP 291.A NE1 ASP 193.A OD1 no hydrogen 2.757 N/A ARG 295.A N ASP 193.A OD2 no hydrogen 2.898 N/A MET 297.A N GLU 219.A OE2 no hydrogen 2.606 N/A GLU 299.A N ASP 296.A OD1 no hydrogen 2.973 N/A TYR 300.A N ASP 296.A O no hydrogen 3.143 N/A TYR 300.A OH PHE 155.A O no hydrogen 3.313 N/A TYR 300.A OH GLU 308.A OE1 no hydrogen 2.662 N/A ALA 301.A N MET 297.A O no hydrogen 3.028 N/A ARG 302.A N GLU 298.A O no hydrogen 3.110 N/A ARG 302.A NE GLU 298.A OE2 no hydrogen 3.307 N/A ARG 302.A NH2 GLU 303.A OE2 no hydrogen 2.887 N/A GLU 303.A N GLU 299.A O no hydrogen 2.839 N/A VAL 304.A N TYR 300.A O no hydrogen 2.897 N/A PHE 305.A N TYR 300.A O no hydrogen 2.898 N/A GLU 308.A N VAL 304.A O no hydrogen 2.898 N/A GLU 309.A N PHE 305.A O no hydrogen 2.948 N/A GLU 310.A N PRO 306.A O no hydrogen 3.018 N/A ALA 311.A N ILE 307.A O no hydrogen 2.821 N/A ASN 312.A N GLU 308.A O no hydrogen 3.022 N/A ASN 312.A N GLU 309.A O no hydrogen 3.119 N/A GLY 313.A N GLU 310.A O no hydrogen 2.975 N/A LEU 314.A N GLU 309.A O no hydrogen 2.958 N/A TRP 316.A NE1 GLU 309.A OE1 no hydrogen 2.894 N/A LEU 318.A N ASP 315.A O no hydrogen 2.625 N/A