Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u6u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N LYS 30.A O no hydrogen 3.138 N/A VAL 3.A N ALA 167.A O no hydrogen 3.138 N/A VAL 4.A N LEU 32.A O no hydrogen 2.897 N/A LYS 5.A N VAL 169.A O no hydrogen 2.695 N/A LYS 5.A NZ VAL 6.A O no hydrogen 2.862 N/A VAL 6.A N VAL 34.A O no hydrogen 2.698 N/A GLY 7.A N LEU 171.A O no hydrogen 2.758 N/A ASN 13.A N GLY 230.A O no hydrogen 2.813 N/A ASN 13.A ND2 ARG 231.A O no hydrogen 3.428 N/A GLU 15.A N GLU 15.A OE1 no hydrogen 2.726 N/A ALA 16.A N ASN 13.A OD1 no hydrogen 2.964 N/A VAL 17.A N ASN 13.A O no hydrogen 2.990 N/A ALA 18.A N TYR 14.A O no hydrogen 2.807 N/A LYS 19.A N GLU 15.A O no hydrogen 2.882 N/A LYS 19.A NZ GLU 90.A OE1 no hydrogen 3.418 N/A ASP 20.A N ALA 16.A O no hydrogen 3.046 N/A ALA 21.A N VAL 17.A O no hydrogen 2.836 N/A ALA 22.A N ALA 18.A O no hydrogen 2.854 N/A SER 23.A N LYS 19.A O no hydrogen 3.061 N/A LEU 24.A N ASP 20.A O no hydrogen 3.052 N/A TRP 25.A N ALA 21.A O no hydrogen 2.848 N/A LYS 26.A N ALA 22.A O no hydrogen 2.810 N/A LYS 26.A NZ GLU 90.A O no hydrogen 2.852 N/A GLU 27.A N SER 23.A O no hydrogen 3.254 N/A GLU 27.A N LEU 24.A O no hydrogen 3.073 N/A GLY 28.A N TRP 25.A O no hydrogen 3.049 N/A VAL 29.A N LEU 24.A O no hydrogen 3.167 N/A LEU 32.A N ILE 2.A O no hydrogen 3.099 N/A LEU 33.A N PRO 134.A O no hydrogen 3.101 N/A VAL 34.A N VAL 4.A O no hydrogen 2.863 N/A HIS 35.A N LEU 136.A O no hydrogen 2.997 N/A HIS 35.A ND1 GLY 36.A O no hydrogen 3.024 N/A SER 38.A OG GLY 8.A O no hydrogen 3.414 N/A ALA 39.A N GLY 8.A O no hydrogen 3.073 N/A THR 41.A N GLY 37.A O no hydrogen 2.901 N/A THR 41.A OG1 GLY 37.A O no hydrogen 2.612 N/A ASN 42.A N SER 38.A O no hydrogen 2.941 N/A LYS 43.A N ALA 39.A O no hydrogen 3.283 N/A VAL 44.A N GLU 40.A O no hydrogen 3.135 N/A ALA 45.A N THR 41.A O no hydrogen 2.874 N/A GLU 46.A N ASN 42.A O no hydrogen 2.957 N/A ALA 47.A N LYS 43.A O no hydrogen 2.934 N/A LEU 48.A N VAL 44.A O no hydrogen 2.862 N/A LEU 48.A N ALA 45.A O no hydrogen 3.202 N/A GLY 49.A N GLU 46.A O no hydrogen 2.951 N/A HIS 50.A N ALA 45.A O no hydrogen 2.864 N/A HIS 50.A ND1 LEU 48.A O no hydrogen 2.696 N/A LEU 55.A N SER 60.A O no hydrogen 3.056 N/A HIS 57.A NE2 SER 60.A OG no hydrogen 3.055 N/A SER 60.A N LEU 55.A O no hydrogen 3.194 N/A SER 60.A OG HIS 57.A NE2 no hydrogen 3.055 N/A ARG 61.A NH1 ASN 42.A OD1 no hydrogen 2.774 N/A ARG 61.A NH2 SER 38.A O no hydrogen 3.548 N/A ARG 61.A NH2 ASN 42.A OD1 no hydrogen 2.943 N/A LEU 62.A N ARG 53.A O no hydrogen 2.662 N/A THR 63.A N ASP 111.A OD2 no hydrogen 3.126 N/A THR 63.A OG1 ARG 61.A O no hydrogen 3.043 N/A ARG 65.A NE TYR 112.A OH no hydrogen 3.303 N/A THR 67.A N ASP 64.A OD2 no hydrogen 2.876 N/A THR 67.A OG1 ASP 64.A OD2 no hydrogen 2.596 N/A LEU 68.A N ASP 64.A O no hydrogen 2.902 N/A GLU 69.A N ARG 65.A O no hydrogen 3.022 N/A ILE 70.A N LYS 66.A O no hydrogen 3.117 N/A PHE 71.A N THR 67.A O no hydrogen 2.807 N/A GLU 72.A N LEU 68.A O no hydrogen 2.858 N/A MET 73.A N GLU 69.A O no hydrogen 2.932 N/A VAL 74.A N ILE 70.A O no hydrogen 3.046 N/A TYR 75.A N PHE 71.A O no hydrogen 2.814 N/A CYS 76.A N GLU 72.A O no hydrogen 2.891 N/A CYS 76.A SG PRO 138.A O no hydrogen 3.546 N/A GLY 77.A N GLU 72.A O no hydrogen 3.190 N/A LEU 78.A N MET 73.A O no hydrogen 2.951 N/A VAL 79.A N VAL 74.A O no hydrogen 2.812 N/A ASN 80.A N TYR 75.A O no hydrogen 3.082 N/A ASN 80.A ND2 HIS 35.A NE2 no hydrogen 2.987 N/A ASN 80.A ND2 VAL 135.A O no hydrogen 3.081 N/A LYS 81.A N GLY 77.A O no hydrogen 3.208 N/A LYS 81.A NZ ASN 80.A OD1 no hydrogen 2.985 N/A ARG 82.A N LEU 78.A O no hydrogen 3.073 N/A ARG 82.A NH1 GLU 40.A OE2 no hydrogen 2.760 N/A ARG 82.A NH2 GLU 40.A OE1 no hydrogen 2.759 N/A ARG 82.A NH2 GLU 40.A OE2 no hydrogen 3.521 N/A LEU 83.A N VAL 79.A O no hydrogen 3.050 N/A VAL 84.A N ASN 80.A O no hydrogen 2.960 N/A GLU 85.A N LYS 81.A O no hydrogen 2.997 N/A LEU 86.A N ARG 82.A O no hydrogen 3.027 N/A LEU 87.A N LEU 83.A O no hydrogen 2.935 N/A GLN 88.A N VAL 84.A O no hydrogen 2.931 N/A GLN 88.A NE2 ASN 93.A OD1 no hydrogen 2.948 N/A GLN 88.A NE2 ALA 94.A O no hydrogen 3.089 N/A LYS 89.A N GLU 85.A O no hydrogen 2.878 N/A LYS 89.A NZ GLU 85.A OE2 no hydrogen 3.294 N/A GLU 90.A N LEU 86.A O no hydrogen 3.129 N/A GLY 91.A N GLN 88.A O no hydrogen 2.947 N/A ALA 92.A N LEU 87.A O no hydrogen 2.936 N/A ALA 94.A N ALA 92.A O no hydrogen 2.881 N/A ILE 95.A N LEU 133.A O no hydrogen 2.922 N/A LEU 97.A N VAL 135.A O no hydrogen 3.001 N/A SER 98.A N ASP 101.A OD2 no hydrogen 2.862 N/A SER 98.A OG ASP 101.A OD2 no hydrogen 2.804 N/A GLY 99.A N THR 137.A O no hydrogen 3.071 N/A LEU 100.A N SER 98.A OG no hydrogen 3.148 N/A ASP 101.A N SER 98.A O no hydrogen 3.213 N/A ARG 103.A N LEU 100.A O no hydrogen 3.168 N/A LEU 104.A N ASP 101.A O no hydrogen 2.944 N/A PHE 105.A N GLY 99.A O no hydrogen 2.933 N/A VAL 106.A N GLU 118.A O no hydrogen 2.955 N/A GLY 107.A N LEU 141.A O no hydrogen 2.910 N/A ARG 109.A NE ASP 111.A O no hydrogen 2.940 N/A ARG 109.A NH2 ASP 111.A O no hydrogen 3.278 N/A LYS 110.A N THR 113.A O no hydrogen 2.698 N/A TYR 112.A N THR 63.A O no hydrogen 2.795 N/A THR 113.A OG1 ASP 111.A OD2 no hydrogen 3.308 N/A GLY 114.A N ASN 149.A O no hydrogen 2.901 N/A THR 115.A N ARG 108.A O no hydrogen 2.968 N/A THR 115.A OG1 GLU 117.A OE2 no hydrogen 2.828 N/A GLU 117.A N VAL 106.A O no hydrogen 2.802 N/A GLU 118.A N VAL 106.A O no hydrogen 2.938 N/A ASN 120.A N LEU 104.A O no hydrogen 2.843 N/A ASN 120.A ND2 GLY 102.A O no hydrogen 2.807 N/A LYS 121.A N VAL 119.A O no hydrogen 2.769 N/A LYS 121.A NZ ASP 125.A OD1 no hydrogen 3.552 N/A LYS 121.A NZ ASP 125.A OD2 no hydrogen 2.984 N/A LEU 123.A N ASN 120.A OD1 no hydrogen 2.962 N/A LEU 124.A N ASN 120.A O no hydrogen 3.344 N/A ASP 125.A N LYS 121.A O no hydrogen 2.819 N/A LEU 126.A N ALA 122.A O no hydrogen 2.906 N/A LEU 127.A N LEU 123.A O no hydrogen 3.048 N/A LEU 128.A N LEU 124.A O no hydrogen 2.771 N/A GLN 129.A N ASP 125.A O no hydrogen 2.918 N/A ALA 130.A N LEU 126.A O no hydrogen 3.100 N/A GLY 131.A N LEU 128.A O no hydrogen 3.079 N/A TYR 132.A N LEU 127.A O no hydrogen 2.996 N/A LEU 133.A N ASN 93.A O no hydrogen 2.911 N/A VAL 135.A N ILE 95.A O no hydrogen 2.887 N/A LEU 136.A N LEU 33.A O no hydrogen 2.688 N/A THR 137.A N LEU 97.A O no hydrogen 3.079 N/A THR 137.A OG1 PRO 138.A O no hydrogen 2.865 N/A ALA 140.A N ILE 148.A O no hydrogen 2.923 N/A LEU 141.A N PHE 105.A O no hydrogen 2.797 N/A SER 142.A N GLU 146.A O no hydrogen 2.853 N/A SER 142.A OG GLU 146.A O no hydrogen 3.513 N/A SER 142.A OG GLU 146.A OE1 no hydrogen 2.866 N/A TYR 143.A OH GLU 118.A OE2 no hydrogen 2.582 N/A GLU 144.A N SER 142.A OG no hydrogen 3.048 N/A ASN 145.A N SER 142.A O no hydrogen 2.790 N/A GLU 146.A N SER 142.A OG no hydrogen 2.982 N/A ILE 148.A N ALA 140.A O no hydrogen 2.903 N/A ASN 149.A N TYR 112.A O no hydrogen 2.793 N/A ASN 149.A ND2 THR 63.A OG1 no hydrogen 3.201 N/A THR 150.A OG1 GLY 114.A O no hydrogen 2.843 N/A GLN 154.A N ASP 151.A O no hydrogen 3.120 N/A GLN 154.A N ASP 151.A OD1 no hydrogen 2.902 N/A ILE 155.A N ASP 151.A O no hydrogen 3.170 N/A ALA 156.A N GLY 152.A O no hydrogen 3.094 N/A ALA 157.A N ASP 153.A O no hydrogen 3.087 N/A LEU 158.A N GLN 154.A O no hydrogen 2.884 N/A LEU 159.A N ILE 155.A O no hydrogen 2.919 N/A ALA 160.A N ALA 156.A O no hydrogen 2.946 N/A THR 161.A N ALA 157.A O no hydrogen 2.966 N/A THR 161.A OG1 LEU 158.A O no hydrogen 2.885 N/A LEU 162.A N LEU 158.A O no hydrogen 2.944 N/A TYR 163.A N LEU 159.A O no hydrogen 3.034 N/A TYR 163.A OH ASP 125.A OD1 no hydrogen 2.739 N/A GLY 164.A N THR 161.A O no hydrogen 3.296 N/A ALA 165.A N ALA 160.A O no hydrogen 2.901 N/A GLU 166.A N MET 1.A O no hydrogen 3.000 N/A LEU 168.A N ARG 224.A O no hydrogen 2.799 N/A VAL 169.A N VAL 3.A O no hydrogen 2.827 N/A TYR 170.A N VAL 226.A O no hydrogen 2.757 N/A TYR 170.A OH ASP 153.A O no hydrogen 2.880 N/A LEU 171.A N LYS 5.A O no hydrogen 2.880 N/A SER 172.A N ALA 228.A O no hydrogen 3.056 N/A SER 172.A OG ASN 173.A OD1 no hydrogen 3.462 N/A ASN 173.A ND2 GLU 10.A O no hydrogen 3.147 N/A LEU 177.A N THR 245.A OG1 no hydrogen 2.797 N/A ALA 179.A N SER 184.A O no hydrogen 3.044 N/A VAL 186.A N LEU 177.A O no hydrogen 2.883 N/A ILE 189.A N VAL 246.A O no hydrogen 3.006 N/A VAL 191.A N ARG 248.A O no hydrogen 3.075 N/A ARG 193.A N PRO 190.A O no hydrogen 2.981 N/A ILE 194.A N PRO 190.A O no hydrogen 3.231 N/A GLU 195.A N VAL 191.A O no hydrogen 3.030 N/A ASP 196.A N ARG 193.A O no hydrogen 2.849 N/A GLU 198.A N ASP 196.A OD1 no hydrogen 2.721 N/A LEU 200.A N ASP 196.A O no hydrogen 3.263 N/A ALA 201.A N PRO 197.A O no hydrogen 3.119 N/A LEU 202.A N TYR 199.A O no hydrogen 2.873 N/A ALA 203.A N LEU 200.A O no hydrogen 3.182 N/A GLN 204.A NE2 ALA 179.A O no hydrogen 2.366 N/A LYS 208.A N GLN 204.A O no hydrogen 2.926 N/A ARG 209.A N GLY 205.A O no hydrogen 2.965 N/A LYS 210.A N ARG 206.A O no hydrogen 3.266 N/A LYS 210.A NZ GLY 176.A O no hydrogen 3.060 N/A VAL 211.A N MET 207.A O no hydrogen 3.064 N/A VAL 215.A N VAL 211.A O no hydrogen 2.876 N/A GLU 216.A N MET 212.A O no hydrogen 3.161 N/A ALA 217.A N GLY 213.A O no hydrogen 3.207 N/A VAL 218.A N ALA 214.A O no hydrogen 3.215 N/A LYS 219.A N VAL 215.A O no hydrogen 3.437 N/A GLY 220.A N ALA 217.A O no hydrogen 2.855 N/A GLY 221.A N VAL 218.A O no hydrogen 3.069 N/A VAL 222.A N ALA 217.A O no hydrogen 3.059 N/A VAL 225.A N VAL 247.A O no hydrogen 3.094 N/A VAL 226.A N LEU 168.A O no hydrogen 2.845 N/A PHE 227.A N THR 245.A O no hydrogen 2.930 N/A ALA 228.A N TYR 170.A O no hydrogen 2.857 N/A GLY 230.A N SER 172.A O no hydrogen 2.685 N/A ARG 231.A N ASP 229.A OD1 no hydrogen 2.813 N/A ARG 231.A NE ASP 229.A OD1 no hydrogen 2.776 N/A ARG 231.A NE ASP 229.A OD2 no hydrogen 3.138 N/A ARG 231.A NH2 GLU 182.A OE2 no hydrogen 3.286 N/A ARG 231.A NH2 ASP 229.A OD2 no hydrogen 2.592 N/A ASN 234.A ND2 ASP 20.A OD1 no hydrogen 3.484 N/A ARG 237.A N ASP 20.A OD2 no hydrogen 2.708 N/A ARG 237.A NH2 SER 23.A OG no hydrogen 2.819 N/A ARG 237.A NH2 GLU 27.A OE1 no hydrogen 2.705 N/A ARG 238.A N ASN 234.A O no hydrogen 2.961 N/A ARG 238.A NE GLU 243.A OE1 no hydrogen 2.837 N/A ARG 238.A NH1 GLU 233.A O no hydrogen 3.361 N/A ARG 238.A NH2 GLU 243.A OE1 no hydrogen 3.242 N/A ALA 239.A N PRO 235.A O no hydrogen 3.250 N/A LEU 240.A N ILE 236.A O no hydrogen 2.932 N/A SER 241.A N ARG 238.A O no hydrogen 3.082 N/A SER 241.A OG ARG 237.A O no hydrogen 3.159 N/A GLY 242.A N ALA 239.A O no hydrogen 3.273 N/A GLU 243.A N ARG 238.A O no hydrogen 3.036 N/A THR 245.A N PHE 227.A O no hydrogen 2.853 N/A THR 245.A OG1 VAL 186.A O no hydrogen 2.775 N/A VAL 246.A N ARG 187.A O no hydrogen 2.848 N/A VAL 247.A N VAL 225.A O no hydrogen 2.800 N/A