Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3g3u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N THR 237.A O no hydrogen 3.095 N/A GLN 3.A N LEU 235.A O no hydrogen 3.008 N/A THR 5.A N VAL 233.A O no hydrogen 3.108 N/A THR 5.A OG1 TYR 7.A OH no hydrogen 2.507 N/A LYS 6.A NZ PHE 262.A O no hydrogen 3.219 N/A TYR 7.A N LEU 231.A O no hydrogen 2.844 N/A TYR 7.A OH THR 5.A OG1 no hydrogen 2.507 N/A TRP 8.A N GLU 257.A O no hydrogen 2.712 N/A VAL 9.A N ALA 229.A O no hydrogen 2.903 N/A ASP 12.A N HIS 10.A ND1 no hydrogen 2.803 N/A ASN 13.A N HIS 10.A O no hydrogen 2.788 N/A ILE 14.A N PRO 11.A O no hydrogen 3.494 N/A LEU 17.A N ASN 13.A O no hydrogen 3.083 N/A LYS 18.A N ILE 14.A O no hydrogen 2.981 N/A LEU 19.A N THR 15.A O no hydrogen 2.990 N/A ILE 20.A N GLU 16.A O no hydrogen 3.397 N/A ILE 21.A N LEU 17.A O no hydrogen 3.298 N/A LEU 22.A N LYS 18.A O no hydrogen 2.953 N/A HIS 24.A N ILE 21.A O no hydrogen 2.747 N/A HIS 24.A ND1 ILE 20.A O no hydrogen 3.261 N/A LEU 25.A N ILE 21.A O no hydrogen 2.816 N/A LEU 28.A N ALA 169.A O no hydrogen 3.029 N/A LYS 34.A N ASN 31.A O no hydrogen 2.831 N/A GLU 35.A N ASN 33.A OD1 no hydrogen 2.886 N/A GLU 37.A N ASP 40.A OD2 no hydrogen 3.272 N/A ASP 40.A N GLU 37.A O no hydrogen 2.969 N/A ALA 42.A N GLU 39.A O no hydrogen 3.142 N/A ILE 43.A N TYR 165.A O no hydrogen 2.961 N/A THR 44.A N TRP 73.A O no hydrogen 3.031 N/A SER 45.A N SER 163.A O no hydrogen 2.989 N/A ILE 46.A N LEU 71.A O no hydrogen 2.884 N/A TYR 47.A N VAL 161.A O no hydrogen 2.749 N/A PHE 48.A N HIS 69.A O no hydrogen 2.880 N/A ASP 49.A N ARG 158.A O no hydrogen 3.042 N/A ASN 50.A N ASP 49.A OD1 no hydrogen 2.678 N/A ASN 50.A ND2 ASP 54.A OD2 no hydrogen 3.094 N/A ASN 50.A ND2 LYS 155.A O no hydrogen 3.108 N/A LEU 53.A N ASN 50.A O no hydrogen 2.837 N/A ASP 54.A N ASN 50.A OD1 no hydrogen 3.061 N/A LEU 55.A N ASP 49.A OD1 no hydrogen 2.943 N/A TYR 56.A N ASP 49.A OD2 no hydrogen 2.803 N/A TYR 56.A OH SER 279.A O no hydrogen 2.665 N/A TYR 57.A N LEU 53.A O no hydrogen 3.120 N/A GLY 58.A N ASP 54.A O no hydrogen 3.110 N/A ARG 59.A N LEU 55.A O no hydrogen 2.975 N/A ARG 59.A NH1 ALA 66.A O no hydrogen 3.149 N/A LEU 60.A N TYR 56.A O no hydrogen 2.837 N/A ARG 61.A N TYR 57.A O no hydrogen 2.956 N/A ARG 61.A NE.A ASP 63.A OD1 no hydrogen 3.324 N/A ARG 61.A NH2.A ASP 63.A OD2 no hydrogen 2.662 N/A LYS 62.A N ARG 59.A O no hydrogen 3.186 N/A ASP 63.A N GLY 58.A O no hydrogen 3.115 N/A GLY 65.A N HIS 89.A O no hydrogen 2.700 N/A ALA 66.A N ASP 63.A O no hydrogen 3.155 N/A ALA 68.A N LYS 87.A O no hydrogen 2.797 N/A HIS 69.A NE2 GLU 67.A OE1 no hydrogen 2.946 N/A ARG 70.A N GLU 85.A O no hydrogen 2.972 N/A ARG 70.A NE GLU 85.A OE1 no hydrogen 2.707 N/A ARG 70.A NH1 TYR 47.A OH no hydrogen 2.926 N/A ARG 70.A NH2 GLU 85.A OE1 no hydrogen 2.879 N/A LEU 71.A N ILE 46.A O no hydrogen 3.054 N/A ARG 72.A N PHE 83.A O no hydrogen 2.810 N/A ARG 72.A NE SER 45.A OG no hydrogen 2.967 N/A ARG 72.A NH2 SER 45.A OG no hydrogen 3.138 N/A TRP 73.A N THR 44.A O no hydrogen 2.990 N/A GLY 75.A N ALA 42.A O no hydrogen 2.768 N/A THR 79.A N GLY 76.A O no hydrogen 3.028 N/A THR 79.A OG1 TYR 74.A O no hydrogen 2.774 N/A THR 79.A OG1 GLY 76.A O no hydrogen 3.342 N/A ILE 82.A N LEU 105.A O no hydrogen 2.839 N/A PHE 83.A N ARG 72.A O no hydrogen 2.718 N/A VAL 84.A N PHE 103.A O no hydrogen 2.903 N/A GLU 85.A N ARG 70.A O no hydrogen 2.749 N/A ARG 86.A N ALA 101.A O no hydrogen 2.792 N/A ARG 86.A NH1 GLU 147.A OE1 no hydrogen 2.837 N/A ARG 86.A NH2 GLU 147.A OE1 no hydrogen 3.440 N/A LYS 87.A N ALA 68.A O no hydrogen 2.885 N/A THR 88.A N VAL 99.A O no hydrogen 2.774 N/A HIS 89.A N ALA 66.A O no hydrogen 3.004 N/A HIS 89.A NE2 GLU 91.A OE2 no hydrogen 2.717 N/A ARG 90.A N LYS 97.A O no hydrogen 2.958 N/A ARG 90.A NH1 GLU 64.A OE2 no hydrogen 3.277 N/A GLU 91.A N GLU 64.A OE1 no hydrogen 2.582 N/A ASP 92.A N GLY 95.A O no hydrogen 2.921 N/A THR 94.A OG1 ASP 92.A OD1 no hydrogen 2.596 N/A THR 94.A OG1 ASP 92.A OD2 no hydrogen 3.402 N/A GLY 95.A N ASP 92.A O no hydrogen 2.990 N/A GLY 95.A N ASP 92.A OD1 no hydrogen 3.166 N/A LYS 97.A N ARG 90.A O no hydrogen 3.137 N/A VAL 99.A N THR 88.A O no hydrogen 2.942 N/A ALA 101.A N ARG 86.A O no hydrogen 2.923 N/A ARG 102.A NH2 TYR 74.A OH no hydrogen 3.428 N/A ARG 102.A NH2 GLU 85.A OE2 no hydrogen 2.916 N/A PHE 103.A N VAL 84.A O no hydrogen 3.237 N/A LEU 105.A N ILE 82.A O no hydrogen 2.922 N/A GLU 107.A N ASP 80.A O no hydrogen 2.953 N/A HIS 109.A N LYS 106.A O no hydrogen 2.980 N/A VAL 110.A N GLU 107.A O no hydrogen 3.085 N/A ASN 111.A ND2 ASN 203.A OD1 no hydrogen 2.960 N/A PHE 113.A N HIS 109.A O no hydrogen 2.918 N/A LEU 114.A N VAL 110.A O no hydrogen 2.911 N/A LYS 115.A N ASN 111.A O no hydrogen 3.036 N/A GLY 116.A N PHE 113.A O no hydrogen 2.991 N/A LYS 117.A N ASP 112.A O no hydrogen 2.877 N/A TYR 118.A N ASP 112.A O no hydrogen 3.066 N/A THR 119.A N GLN 122.A OE1 no hydrogen 2.861 N/A THR 119.A OG1 GLN 122.A OE1 no hydrogen 3.286 N/A GLN 122.A N THR 119.A OG1 no hydrogen 3.270 N/A VAL 123.A N THR 119.A O no hydrogen 2.835 N/A PHE 124.A N VAL 120.A O no hydrogen 2.906 N/A ALA 125.A N GLN 122.A O no hydrogen 3.281 N/A ARG 128.A N PHE 124.A O no hydrogen 2.968 N/A ARG 128.A NE GLU 142.A OE2 no hydrogen 2.694 N/A ARG 128.A NH2 GLU 142.A OE1 no hydrogen 2.873 N/A LYS 129.A N ALA 125.A O no hydrogen 3.001 N/A GLU 130.A N LYS 126.A O no hydrogen 3.084 N/A GLY 131.A N ARG 128.A O no hydrogen 3.103 N/A ILE 138.A N PRO 134.A O no hydrogen 3.107 N/A GLU 139.A N MET 135.A O no hydrogen 2.834 N/A ASN 140.A N ASN 136.A O no hydrogen 2.969 N/A ASN 140.A ND2 ASN 136.A O no hydrogen 2.906 N/A LEU 141.A N GLU 137.A O no hydrogen 3.030 N/A GLU 142.A N ILE 138.A O no hydrogen 2.943 N/A ALA 143.A N GLU 139.A O no hydrogen 2.998 N/A LEU 144.A N ASN 140.A O no hydrogen 3.068 N/A ALA 145.A N LEU 141.A O no hydrogen 2.966 N/A SER 146.A N GLU 142.A O no hydrogen 2.818 N/A SER 146.A OG GLU 142.A O no hydrogen 3.249 N/A GLU 147.A N ALA 143.A O no hydrogen 2.865 N/A ILE 148.A N LEU 144.A O no hydrogen 2.938 N/A GLN 149.A N ALA 145.A O no hydrogen 2.858 N/A GLN 149.A NE2 PHE 113.A O no hydrogen 2.713 N/A GLN 149.A NE2 TYR 118.A O no hydrogen 3.164 N/A TYR 150.A N SER 146.A O no hydrogen 2.843 N/A VAL 151.A N GLU 147.A O no hydrogen 3.077 N/A MET 152.A N ILE 148.A O no hydrogen 2.978 N/A LEU 153.A N GLN 149.A O no hydrogen 3.121 N/A LYS 154.A N TYR 150.A O no hydrogen 2.673 N/A LYS 155.A N VAL 151.A O no hydrogen 2.671 N/A LYS 156.A N LEU 153.A O no hydrogen 3.277 N/A LEU 157.A N MET 152.A O no hydrogen 2.947 N/A ARG 158.A N ASP 49.A O no hydrogen 2.873 N/A ARG 158.A NH1 PRO 159.A O no hydrogen 3.169 N/A VAL 160.A N TYR 47.A O no hydrogen 2.870 N/A VAL 161.A N TYR 47.A O no hydrogen 3.351 N/A ARG 162.A N VAL 189.A O no hydrogen 2.781 N/A ARG 162.A NE GLU 191.A OE2 no hydrogen 2.628 N/A ARG 162.A NH2 GLU 191.A OE2 no hydrogen 2.784 N/A ARG 162.A NH2 ARG 206.A O no hydrogen 3.142 N/A SER 163.A N SER 45.A O no hydrogen 2.908 N/A PHE 164.A N THR 187.A O no hydrogen 2.812 N/A TYR 165.A N ILE 43.A O no hydrogen 3.256 N/A ASN 166.A N THR 184.A O no hydrogen 2.850 N/A ASN 166.A ND2 GLU 185.A OE1 no hydrogen 2.704 N/A ARG 167.A N SER 41.A O no hydrogen 3.031 N/A ARG 167.A NE ASP 183.A OD1 no hydrogen 2.788 N/A ARG 167.A NH2 ASP 183.A OD1 no hydrogen 3.542 N/A ARG 167.A NH2 ASP 183.A OD2 no hydrogen 2.816 N/A THR 168.A N LEU 182.A O no hydrogen 2.949 N/A PHE 170.A N ILE 180.A O no hydrogen 2.755 N/A GLN 171.A N PRO 26.A O no hydrogen 3.035 N/A ARG 177.A N ASP 175.A OD1 no hydrogen 3.173 N/A ARG 179.A N LYS 234.A O no hydrogen 2.896 N/A ILE 180.A N PHE 170.A O no hydrogen 2.985 N/A SER 181.A N GLU 232.A O no hydrogen 3.010 N/A LEU 182.A N THR 168.A O no hydrogen 3.004 N/A ASP 183.A N VAL 230.A O no hydrogen 2.784 N/A THR 184.A N ASN 166.A O no hydrogen 2.844 N/A THR 184.A OG1 GLU 185.A OE1 no hydrogen 2.671 N/A THR 187.A N PHE 164.A O no hydrogen 2.795 N/A THR 187.A OG1 GLU 185.A O no hydrogen 2.839 N/A MET 188.A N CYS 224.A O no hydrogen 2.931 N/A VAL 189.A N ARG 162.A O no hydrogen 2.890 N/A ARG 190.A N ASP 222.A O no hydrogen 2.863 N/A ARG 190.A NE ASP 192.A OD1 no hydrogen 2.917 N/A ARG 190.A NH2 ASP 192.A OD1 no hydrogen 3.523 N/A ARG 190.A NH2 ASP 192.A OD2 no hydrogen 2.897 N/A GLU 191.A N VAL 160.A O no hydrogen 2.940 N/A PHE 194.A N ASP 192.A OD2 no hydrogen 2.657 N/A GLY 196.A N ASN 193.A O no hydrogen 3.050 N/A VAL 197.A N ASP 195.A OD2 no hydrogen 3.079 N/A ARG 199.A N VAL 197.A O no hydrogen 2.965 N/A ARG 199.A NE ASP 222.A OD1 no hydrogen 3.226 N/A ARG 199.A NE ASP 222.A OD2 no hydrogen 3.063 N/A ARG 199.A NH1 ASP 192.A O no hydrogen 2.844 N/A ARG 199.A NH1 ASP 195.A OD2 no hydrogen 2.923 N/A ARG 199.A NH2 ASP 195.A OD1 no hydrogen 2.857 N/A ARG 199.A NH2 ASP 222.A OD1 no hydrogen 2.989 N/A THR 200.A OG1 ASN 203.A O no hydrogen 2.783 N/A HIS 201.A N ASP 198.A O no hydrogen 3.067 N/A LYS 202.A NZ ASP 198.A OD2 no hydrogen 2.913 N/A ASN 203.A N THR 200.A O no hydrogen 2.835 N/A ASN 203.A ND2 ARG 205.A O no hydrogen 2.948 N/A TRP 204.A NE1 GLU 107.A OE2 no hydrogen 2.857 N/A ARG 206.A N GLU 191.A OE1 no hydrogen 2.763 N/A ARG 206.A NE ASP 208.A OD1 no hydrogen 3.049 N/A ARG 206.A NH1 ARG 190.A O no hydrogen 2.924 N/A ARG 206.A NH1 ASP 222.A OD2 no hydrogen 2.822 N/A ARG 206.A NH2 ASP 208.A OD2 no hydrogen 2.866 N/A ARG 206.A NH2 ASP 222.A OD2 no hydrogen 3.416 N/A GLY 210.A N ASP 212.A OD1 no hydrogen 2.879 N/A ASP 212.A N ASP 212.A OD1 no hydrogen 2.500 N/A TRP 213.A N VAL 211.A O no hydrogen 2.800 N/A PHE 215.A N ASP 212.A O no hydrogen 2.967 N/A GLN 217.A N GLN 217.A OE1 no hydrogen 2.680 N/A GLN 217.A NE2 ASP 208.A O no hydrogen 3.038 N/A GLN 217.A NE2 ASP 212.A OD2 no hydrogen 3.092 N/A LEU 218.A N PHE 215.A O no hydrogen 3.159 N/A LYS 221.A NZ ASP 195.A OD1 no hydrogen 3.337 N/A ASP 222.A N ASP 219.A O no hydrogen 2.921 N/A ILE 223.A N ASP 220.A O no hydrogen 3.296 N/A CYS 224.A N MET 188.A O no hydrogen 2.784 N/A CYS 224.A SG HIS 267.A NE2 no hydrogen 3.955 N/A ARG 225.A NE PRO 214.A O no hydrogen 2.929 N/A ARG 225.A NH2 PRO 214.A O no hydrogen 2.998 N/A ARG 225.A NH2 PHE 215.A O no hydrogen 3.310 N/A PHE 226.A N LEU 186.A O no hydrogen 3.037 N/A ALA 229.A N VAL 9.A O no hydrogen 2.937 N/A VAL 230.A N ASP 183.A O no hydrogen 2.852 N/A LEU 231.A N TYR 7.A O no hydrogen 2.982 N/A GLU 232.A N SER 181.A O no hydrogen 2.920 N/A VAL 233.A N THR 5.A O no hydrogen 2.910 N/A LYS 234.A N ARG 179.A O no hydrogen 2.775 N/A LEU 235.A N GLN 3.A O no hydrogen 2.828 N/A GLN 236.A N ARG 177.A O no hydrogen 2.938 N/A THR 237.A N VAL 1.A O no hydrogen 2.931 N/A GLN 241.A N GLN 238.A O no hydrogen 2.806 N/A ARG 248.A N PRO 244.A O no hydrogen 3.057 N/A ARG 248.A NE PRO 243.A O no hydrogen 3.199 N/A GLU 249.A N GLU 245.A O no hydrogen 2.877 N/A LEU 250.A N TRP 246.A O no hydrogen 3.035 N/A VAL 251.A N VAL 247.A O no hydrogen 3.038 N/A GLY 252.A N ARG 248.A O no hydrogen 3.185 N/A SER 253.A N LEU 250.A O no hydrogen 2.876 N/A SER 253.A OG LEU 250.A O no hydrogen 2.748 N/A LEU 255.A N SER 253.A OG no hydrogen 3.157 N/A VAL 256.A N SER 253.A O no hydrogen 3.456 N/A GLU 257.A N TRP 8.A O no hydrogen 2.845 N/A VAL 259.A N LYS 6.A O no hydrogen 2.928 N/A PHE 262.A N VAL 259.A O no hydrogen 3.003 N/A LYS 264.A NZ ASP 183.A OD2 no hydrogen 2.943 N/A ILE 266.A N SER 263.A OG no hydrogen 3.215 N/A HIS 267.A N SER 263.A O no hydrogen 2.772 N/A GLY 268.A N LYS 264.A O no hydrogen 2.896 N/A VAL 269.A N PHE 265.A O no hydrogen 3.065 N/A ALA 270.A N ILE 266.A O no hydrogen 3.037 N/A THR 271.A N HIS 267.A O no hydrogen 2.956 N/A THR 271.A OG1 HIS 267.A O no hydrogen 2.904 N/A LEU 272.A N GLY 268.A O no hydrogen 2.870 N/A LEU 273.A N VAL 269.A O no hydrogen 2.797 N/A LYS 276.A N LEU 273.A O no hydrogen 2.919 N/A LYS 276.A NZ GLU 51.A O no hydrogen 2.712 N/A VAL 277.A N LEU 273.A O no hydrogen 3.072 N/A ASP 278.A N TYR 57.A OH no hydrogen 2.814 N/A TRP 283.A NE1 HIS 267.A ND1 no hydrogen 2.936 N/A LEU 284.A N PRO 281.A O no hydrogen 3.094 N/A