Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3h4v_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N ASP 98.A OD2 no hydrogen 2.938 N/A ALA 5.A N ALA 28.A O no hydrogen 2.804 N/A LEU 6.A N VAL 99.A O no hydrogen 2.811 N/A VAL 7.A N CYS 30.A O no hydrogen 3.043 N/A THR 8.A N VAL 101.A O no hydrogen 3.166 N/A THR 8.A OG1 VAL 101.A O no hydrogen 3.266 N/A GLY 9.A N HIS 32.A ND1 no hydrogen 2.876 N/A ALA 10.A N HIS 32.A O no hydrogen 2.979 N/A LYS 12.A NZ GLU 39.A OE2 no hydrogen 3.359 N/A ARG 13.A NH1 VAL 213.A O no hydrogen 2.920 N/A ARG 13.A NH2 VAL 213.A O no hydrogen 3.421 N/A ARG 16.A N LYS 12.A O no hydrogen 3.039 N/A ARG 16.A NE GLU 20.A OE2 no hydrogen 2.972 N/A ARG 16.A NH2 GLU 20.A OE2 no hydrogen 3.429 N/A SER 17.A N ARG 13.A O no hydrogen 3.187 N/A SER 17.A OG SER 243.A OG no hydrogen 2.504 N/A ILE 18.A N LEU 14.A O no hydrogen 2.966 N/A ALA 19.A N GLY 15.A O no hydrogen 2.899 N/A GLU 20.A N ARG 16.A O no hydrogen 2.742 N/A GLY 21.A N SER 17.A O no hydrogen 2.954 N/A LEU 22.A N ILE 18.A O no hydrogen 2.877 N/A HIS 23.A N ALA 19.A O no hydrogen 2.837 N/A HIS 23.A NE2 SER 54.A OG no hydrogen 2.659 N/A ALA 24.A N GLU 20.A O no hydrogen 2.918 N/A GLU 25.A N LEU 22.A O no hydrogen 2.919 N/A GLY 26.A N HIS 23.A O no hydrogen 3.131 N/A TYR 27.A N LEU 22.A O no hydrogen 3.183 N/A ALA 28.A N PRO 3.A O no hydrogen 2.852 N/A VAL 29.A N SER 54.A O no hydrogen 3.073 N/A CYS 30.A N ALA 5.A O no hydrogen 2.846 N/A LEU 31.A N ILE 56.A O no hydrogen 2.827 N/A HIS 32.A N VAL 7.A O no hydrogen 3.054 N/A HIS 32.A NE2 ALA 60.A O no hydrogen 2.816 N/A TYR 33.A N VAL 58.A O no hydrogen 3.082 N/A GLU 39.A N GLU 39.A OE1 no hydrogen 2.413 N/A ALA 40.A N SER 36.A O no hydrogen 3.098 N/A ASN 41.A N ALA 37.A O no hydrogen 2.941 N/A ALA 42.A N ALA 38.A O no hydrogen 3.032 N/A LEU 43.A N GLU 39.A O no hydrogen 2.970 N/A SER 44.A N ALA 40.A O no hydrogen 2.843 N/A ALA 45.A N ASN 41.A O no hydrogen 2.955 N/A THR 46.A N ALA 42.A O no hydrogen 3.175 N/A THR 46.A OG1 ALA 42.A O no hydrogen 3.358 N/A LEU 47.A N LEU 43.A O no hydrogen 3.128 N/A ASN 48.A N SER 44.A O no hydrogen 2.761 N/A ASN 48.A ND2 ALA 55.A O no hydrogen 3.024 N/A ALA 49.A N ALA 45.A O no hydrogen 2.919 N/A ARG 50.A N THR 46.A O no hydrogen 3.065 N/A ARG 51.A N LEU 47.A O no hydrogen 2.877 N/A ARG 51.A NH1 HIS 23.A O no hydrogen 3.195 N/A ARG 51.A NH2 HIS 23.A O no hydrogen 2.868 N/A ARG 51.A NH2 TYR 27.A O no hydrogen 2.967 N/A SER 54.A N ARG 51.A O no hydrogen 3.264 N/A SER 54.A OG HIS 23.A NE2 no hydrogen 2.659 N/A SER 54.A OG ARG 51.A O no hydrogen 2.740 N/A ILE 56.A N VAL 29.A O no hydrogen 3.217 N/A THR 57.A OG1 ASN 41.A OD1 no hydrogen 2.856 N/A VAL 58.A N LEU 31.A O no hydrogen 2.936 N/A GLN 59.A NE2.A HIS 34.A O no hydrogen 3.546 N/A GLN 59.A NE2.B HIS 34.A O no hydrogen 2.728 N/A ALA 60.A N TYR 33.A O no hydrogen 2.919 N/A SER 63.A N ASP 61.A OD1 no hydrogen 3.039 N/A ASN 64.A N ALA 126.A O no hydrogen 2.823 N/A VAL 65.A N SER 63.A O no hydrogen 2.690 N/A THR 67.A N VAL 77.A O no hydrogen 2.481 N/A THR 67.A OG1 VAL 77.A O no hydrogen 3.396 N/A VAL 70.A N SER 74.A OG no hydrogen 3.125 N/A SER 74.A N ASP 72.A OD1 no hydrogen 3.388 N/A SER 74.A OG ALA 75.A O no hydrogen 3.402 N/A THR 78.A OG1 THR 81.A OG1 no hydrogen 3.037 N/A THR 81.A N THR 78.A OG1 no hydrogen 3.100 N/A THR 81.A OG1 THR 78.A OG1 no hydrogen 3.037 N/A ARG 82.A N THR 78.A O no hydrogen 2.996 N/A ARG 82.A NE ASP 61.A O no hydrogen 2.767 N/A ARG 82.A NH1 VAL 65.A O no hydrogen 3.050 N/A ARG 82.A NH2 ASP 61.A O no hydrogen 2.704 N/A ARG 82.A NH2 VAL 65.A O no hydrogen 3.137 N/A CYS 83.A N LEU 79.A O no hydrogen 2.828 N/A CYS 83.A SG LEU 79.A O no hydrogen 3.427 N/A CYS 83.A SG ALA 135.A O no hydrogen 3.715 N/A ALA 84.A N PHE 80.A O no hydrogen 2.842 N/A GLU 85.A N THR 81.A O no hydrogen 2.942 N/A LEU 86.A N ARG 82.A O no hydrogen 3.134 N/A VAL 87.A N CYS 83.A O no hydrogen 3.464 N/A ALA 88.A N ALA 84.A O no hydrogen 2.837 N/A ALA 89.A N GLU 85.A O no hydrogen 2.878 N/A CYS 90.A SG LEU 86.A O no hydrogen 3.922 N/A TYR 91.A N VAL 87.A O no hydrogen 3.365 N/A THR 92.A N ALA 88.A O no hydrogen 2.829 N/A THR 92.A OG1 ALA 88.A O no hydrogen 3.136 N/A HIS 93.A N ALA 89.A O no hydrogen 3.191 N/A HIS 93.A NE2 ASN 53.A OD1 no hydrogen 2.700 N/A TRP 94.A N CYS 90.A O no hydrogen 2.984 N/A TRP 94.A NE1 ASN 53.A O no hydrogen 2.987 N/A GLY 95.A N TYR 91.A O no hydrogen 2.648 N/A ARG 96.A NE ASP 98.A OD2 no hydrogen 2.866 N/A ARG 96.A NH2 ASP 98.A OD1 no hydrogen 2.889 N/A ARG 96.A NH2 ASP 98.A OD2 no hydrogen 3.426 N/A CYS 97.A SG VAL 99.A O no hydrogen 3.812 N/A ASP 98.A N VAL 4.A O no hydrogen 2.609 N/A VAL 99.A N VAL 4.A O no hydrogen 3.069 N/A LEU 100.A N SER 160.A O no hydrogen 2.952 N/A VAL 101.A N LEU 6.A O no hydrogen 2.871 N/A ASN 102.A N ILE 162.A O no hydrogen 2.663 N/A ASN 102.A ND2 ASN 163.A OD1 no hydrogen 2.884 N/A ASN 103.A N THR 8.A OG1 no hydrogen 2.901 N/A ASN 103.A ND2 THR 8.A O no hydrogen 3.142 N/A ALA 104.A N THR 8.A OG1 no hydrogen 3.032 N/A SER 105.A OG SER 106.A O no hydrogen 3.408 N/A SER 105.A OG ASN 132.A OD1 no hydrogen 2.709 N/A SER 106.A N SER 131.A OG no hydrogen 3.098 N/A SER 106.A OG ASP 127.A OD2 no hydrogen 2.937 N/A SER 106.A OG SER 131.A OG no hydrogen 2.866 N/A TYR 108.A OH ASP 127.A OD2 no hydrogen 2.384 N/A GLU 122.A N ARG 118.A O no hydrogen 3.260 N/A THR 123.A N GLU 119.A O no hydrogen 2.615 N/A THR 123.A OG1 GLU 119.A O no hydrogen 3.403 N/A THR 123.A OG1 ALA 120.A O no hydrogen 3.064 N/A ALA 124.A N ALA 120.A O no hydrogen 2.758 N/A THR 125.A N MET 121.A O no hydrogen 3.206 N/A THR 125.A OG1 MET 121.A O no hydrogen 3.297 N/A ALA 126.A N GLU 122.A O no hydrogen 3.337 N/A ASP 127.A N THR 123.A O no hydrogen 2.928 N/A LEU 128.A N ALA 124.A O no hydrogen 2.870 N/A PHE 129.A N THR 125.A O no hydrogen 3.003 N/A GLY 130.A N ALA 126.A O no hydrogen 2.859 N/A SER 131.A N ASP 127.A O no hydrogen 3.157 N/A SER 131.A OG SER 106.A OG no hydrogen 2.866 N/A SER 131.A OG ASP 127.A O no hydrogen 2.678 N/A SER 131.A OG LEU 128.A O no hydrogen 3.497 N/A ASN 132.A N LEU 128.A O no hydrogen 3.268 N/A ASN 132.A ND2 SER 106.A O no hydrogen 2.954 N/A ASN 132.A ND2 LEU 128.A O no hydrogen 3.079 N/A ALA 133.A N PHE 129.A O no hydrogen 3.035 N/A ILE 134.A N PHE 129.A O no hydrogen 2.714 N/A ALA 135.A N GLY 130.A O no hydrogen 2.643 N/A TYR 137.A N ALA 133.A O no hydrogen 3.153 N/A PHE 138.A N ILE 134.A O no hydrogen 3.146 N/A LEU 139.A N ALA 135.A O no hydrogen 2.857 N/A ILE 140.A N PRO 136.A O no hydrogen 2.787 N/A LYS 141.A N TYR 137.A O no hydrogen 2.886 N/A ALA 142.A N PHE 138.A O no hydrogen 2.932 N/A PHE 143.A N LEU 139.A O no hydrogen 2.978 N/A ALA 144.A N ILE 140.A O no hydrogen 2.979 N/A HIS 145.A N LYS 141.A O no hydrogen 2.964 N/A ARG 146.A N ALA 142.A O no hydrogen 3.115 N/A VAL 147.A N PHE 143.A O no hydrogen 3.243 N/A ALA 148.A N ALA 144.A O no hydrogen 2.726 N/A GLY 149.A N HIS 145.A O no hydrogen 2.901 N/A THR 150.A N VAL 147.A O no hydrogen 2.903 N/A THR 150.A OG1 ARG 146.A O no hydrogen 2.625 N/A HIS 154.A N PRO 151.A O no hydrogen 2.620 N/A ARG 155.A NE THR 150.A O no hydrogen 2.632 N/A ARG 155.A NH2 THR 150.A O no hydrogen 2.989 N/A GLY 156.A N TYR 159.A OH no hydrogen 3.108 N/A ASN 158.A ND2 CYS 250.A O no hydrogen 2.704 N/A SER 160.A N ASP 98.A O no hydrogen 2.877 N/A ILE 161.A N ARG 203.A O no hydrogen 2.777 N/A ILE 162.A N LEU 100.A O no hydrogen 2.729 N/A ASN 163.A N ASN 205.A O no hydrogen 2.933 N/A ASN 163.A ND2 THR 190.A OG1 no hydrogen 3.047 N/A MET 164.A N ASN 102.A O no hydrogen 2.980 N/A VAL 165.A N VAL 207.A O no hydrogen 2.954 N/A ALA 167.A N PRO 209.A O no hydrogen 2.952 N/A MET 168.A N ASP 166.A OD1 no hydrogen 2.807 N/A THR 169.A OG1 ASP 166.A O no hydrogen 3.413 N/A GLN 171.A N MET 168.A O no hydrogen 3.123 N/A GLN 171.A NE2 SER 269.A O no hydrogen 3.162 N/A TYR 176.A N LEU 173.A O no hydrogen 3.263 N/A ILE 178.A N THR 110.A OG1 no hydrogen 3.063 N/A TYR 179.A OH ASP 166.A OD2 no hydrogen 2.564 N/A THR 180.A N TYR 176.A O no hydrogen 2.931 N/A THR 180.A OG1 TYR 176.A O no hydrogen 2.873 N/A MET 181.A N THR 177.A O no hydrogen 2.830 N/A ALA 182.A N ILE 178.A O no hydrogen 2.822 N/A LYS 183.A N TYR 179.A O no hydrogen 2.951 N/A LYS 183.A NZ ASN 132.A OD1 no hydrogen 3.011 N/A LYS 183.A NZ MET 164.A O no hydrogen 2.681 N/A GLY 184.A N THR 180.A O no hydrogen 3.020 N/A ALA 185.A N MET 181.A O no hydrogen 2.836 N/A LEU 186.A N ALA 182.A O no hydrogen 2.835 N/A GLU 187.A N LYS 183.A O no hydrogen 2.895 N/A GLY 188.A N GLY 184.A O no hydrogen 3.181 N/A LEU 189.A N ALA 185.A O no hydrogen 3.013 N/A THR 190.A N LEU 186.A O no hydrogen 2.971 N/A THR 190.A OG1 LEU 186.A O no hydrogen 3.223 N/A ARG 191.A N GLU 187.A O no hydrogen 3.151 N/A SER 192.A N GLY 188.A O no hydrogen 2.888 N/A ALA 193.A N LEU 189.A O no hydrogen 2.770 N/A ALA 194.A N THR 190.A O no hydrogen 2.999 N/A LEU 195.A N ARG 191.A O no hydrogen 3.134 N/A GLU 196.A N SER 192.A O no hydrogen 3.106 N/A LEU 197.A N ALA 193.A O no hydrogen 2.894 N/A ALA 198.A N ALA 194.A O no hydrogen 3.214 N/A LEU 200.A N LEU 197.A O no hydrogen 3.055 N/A GLN 201.A N ALA 198.A O no hydrogen 2.742 N/A ILE 202.A N LEU 197.A O no hydrogen 3.144 N/A ARG 203.A N TYR 159.A O no hydrogen 3.222 N/A ARG 203.A NH1 LEU 249.A O no hydrogen 2.969 N/A ARG 203.A NH1 ILE 257.A O no hydrogen 3.202 N/A ARG 203.A NH2 ASN 158.A OD1 no hydrogen 3.212 N/A ARG 203.A NH2 LEU 249.A O no hydrogen 2.954 N/A VAL 204.A N THR 258.A OG1 no hydrogen 2.953 N/A ASN 205.A N ILE 161.A O no hydrogen 3.023 N/A ASN 205.A ND2 ILE 257.A O no hydrogen 3.094 N/A GLY 206.A N THR 260.A O no hydrogen 2.743 N/A VAL 207.A N ASN 163.A O no hydrogen 3.093 N/A GLY 208.A N VAL 262.A O no hydrogen 2.732 N/A GLY 210.A N VAL 264.A O no hydrogen 3.060 N/A SER 212.A OG SER 237.A OG no hydrogen 2.721 N/A VAL 213.A N SER 237.A O no hydrogen 2.861 N/A LEU 214.A N ASP 236.A OD2 no hydrogen 2.741 N/A ASP 217.A N ASP 217.A OD1 no hydrogen 2.527 N/A TRP 223.A N PRO 219.A O no hydrogen 3.069 N/A TRP 223.A NE1 LEU 214.A O no hydrogen 3.153 N/A GLU 224.A N PRO 220.A O no hydrogen 2.755 N/A GLY 225.A N ALA 221.A O no hydrogen 2.791 N/A HIS 226.A N VAL 222.A O no hydrogen 3.035 N/A ARG 227.A N TRP 223.A O no hydrogen 3.136 N/A ARG 227.A NE ASP 236.A OD1 no hydrogen 3.013 N/A ARG 227.A NH1 GLU 224.A OE2 no hydrogen 3.244 N/A SER 228.A N GLU 224.A O no hydrogen 2.895 N/A SER 228.A OG GLU 224.A O no hydrogen 3.188 N/A SER 228.A OG GLY 225.A O no hydrogen 2.661 N/A LYS 229.A N HIS 226.A O no hydrogen 3.212 N/A VAL 230.A N ARG 227.A O no hydrogen 3.130 N/A LEU 232.A N GLY 266.A O no hydrogen 2.893 N/A GLN 234.A NE2 PRO 231.A O no hydrogen 2.868 N/A ARG 235.A NH1 ASP 236.A O no hydrogen 2.960 N/A ARG 235.A NH1 GLU 241.A OE1 no hydrogen 2.892 N/A ARG 235.A NH2 GLU 241.A OE2 no hydrogen 2.885 N/A SER 237.A N LEU 211.A O no hydrogen 2.799 N/A SER 237.A OG SER 212.A OG no hydrogen 2.721 N/A SER 237.A OG SER 238.A O no hydrogen 2.934 N/A SER 238.A N GLU 241.A OE1 no hydrogen 2.930 N/A GLU 241.A N SER 238.A OG no hydrogen 3.246 N/A VAL 242.A N ALA 239.A O no hydrogen 3.159 N/A SER 243.A N ALA 239.A O no hydrogen 2.812 N/A SER 243.A OG SER 17.A O no hydrogen 3.204 N/A SER 243.A OG SER 17.A OG no hydrogen 2.504 N/A SER 243.A OG ALA 239.A O no hydrogen 3.377 N/A ASP 244.A N ALA 240.A O no hydrogen 2.916 N/A VAL 245.A N VAL 242.A O no hydrogen 3.179 N/A VAL 246.A N VAL 242.A O no hydrogen 3.460 N/A ILE 247.A N SER 243.A O no hydrogen 2.942 N/A PHE 248.A N ASP 244.A O no hydrogen 3.064 N/A LEU 249.A N VAL 245.A O no hydrogen 2.979 N/A CYS 250.A N VAL 246.A O no hydrogen 3.160 N/A CYS 250.A N ILE 247.A O no hydrogen 3.176 N/A CYS 250.A SG SER 160.A OG no hydrogen 3.751 N/A CYS 250.A SG VAL 246.A O no hydrogen 3.551 N/A SER 251.A N PHE 248.A O no hydrogen 2.707 N/A SER 251.A OG PHE 248.A O no hydrogen 2.857 N/A ALA 254.A N SER 251.A O no hydrogen 2.854 N/A LYS 255.A N SER 252.A O no hydrogen 3.364 N/A ILE 257.A N ALA 254.A O no hydrogen 3.032 N/A GLY 259.A N VAL 204.A O no hydrogen 2.800 N/A THR 260.A N ASN 205.A OD1 no hydrogen 3.130 N/A VAL 262.A N GLY 206.A O no hydrogen 2.883 N/A LYS 263.A NZ ALA 167.A O no hydrogen 3.560 N/A VAL 264.A N GLY 208.A O no hydrogen 2.835 N/A GLY 267.A N ASP 265.A OD1 no hydrogen 3.047 N/A TYR 268.A N ASP 265.A O no hydrogen 2.926 N/A SER 269.A N ASP 265.A OD2 no hydrogen 2.986 N/A SER 269.A OG ASP 265.A OD2 no hydrogen 2.883 N/A LEU 270.A N GLY 267.A O no hydrogen 2.927 N/A THR 271.A N TYR 268.A O no hydrogen 3.135 N/A THR 271.A OG1 TYR 268.A O no hydrogen 2.741 N/A