Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pua_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 9.A NE2 VAL 7.A O no hydrogen 3.668 N/A GLN 15.A N THR 19.A OG1 no hydrogen 2.702 N/A GLY 16.A N ASN 14.A OD1 no hydrogen 3.047 N/A THR 19.A N GLY 16.A O no hydrogen 3.032 N/A THR 19.A OG1 ASN 14.A OD1 no hydrogen 3.520 N/A THR 19.A OG1 GLY 16.A O no hydrogen 2.740 N/A LEU 21.A N PHE 18.A O no hydrogen 3.094 N/A ASN 22.A N PHE 18.A O no hydrogen 2.878 N/A ARG 29.A N PHE 84.A O no hydrogen 2.742 N/A ARG 29.A NH1 GLY 20.A O no hydrogen 2.989 N/A ARG 29.A NH2 LEU 21.A O no hydrogen 2.800 N/A GLN 32.A N SER 86.A OG no hydrogen 2.963 N/A GLN 32.A NE2 ASP 82.A O no hydrogen 2.906 N/A LEU 34.A N ASP 87.A OD2 no hydrogen 2.809 N/A GLY 37.A N GLN 42.A OE1 no hydrogen 2.872 N/A GLN 39.A N ASP 72.A OD2 no hydrogen 2.881 N/A GLN 42.A N LEU 101.A O no hydrogen 2.820 N/A GLN 42.A NE2 GLN 39.A O no hydrogen 2.814 N/A GLN 42.A NE2 ASP 72.A OD2 no hydrogen 2.723 N/A LEU 43.A N ASP 72.A O no hydrogen 2.870 N/A TYR 44.A N ALA 99.A O no hydrogen 2.861 N/A TYR 44.A OH PRO 35.A O no hydrogen 2.657 N/A SER 45.A N TYR 74.A O no hydrogen 2.911 N/A ARG 47.A NH2 VAL 255.A O no hydrogen 2.712 N/A THR 48.A OG1 LEU 46.A O no hydrogen 3.484 N/A GLY 51.A N THR 48.A OG1 no hydrogen 2.974 N/A VAL 52.A N THR 48.A O no hydrogen 2.739 N/A LYS 53.A NZ ASN 50.A OD1 no hydrogen 2.945 N/A LYS 53.A NZ SER 114.A OG no hydrogen 2.693 N/A VAL 54.A N GLY 51.A O no hydrogen 3.253 N/A THR 55.A N GLY 51.A O no hydrogen 3.342 N/A THR 55.A OG1 GLY 51.A O no hydrogen 3.446 N/A THR 55.A OG1 VAL 52.A O no hydrogen 3.384 N/A THR 55.A OG1 GLY 252.A O no hydrogen 2.813 N/A ILE 56.A N VAL 52.A O no hydrogen 2.824 N/A LEU 57.A N LYS 53.A O no hydrogen 3.115 N/A LEU 58.A N VAL 54.A O no hydrogen 2.898 N/A GLU 59.A N THR 55.A O no hydrogen 2.856 N/A GLU 60.A N ILE 56.A O no hydrogen 2.817 N/A LEU 61.A N LEU 57.A O no hydrogen 2.921 N/A LEU 62.A N LEU 58.A O no hydrogen 2.934 N/A GLU 63.A N GLU 59.A O no hydrogen 2.884 N/A ALA 64.A N GLU 60.A O no hydrogen 2.974 N/A ALA 64.A N LEU 61.A O no hydrogen 3.179 N/A GLY 65.A N LEU 62.A O no hydrogen 3.048 N/A PHE 66.A N LEU 61.A O no hydrogen 2.866 N/A ALA 69.A N PHE 66.A O no hydrogen 3.080 N/A ALA 70.A N LYS 67.A O no hydrogen 3.360 N/A TYR 71.A OH GLU 59.A OE2 no hydrogen 2.757 N/A ASP 72.A N PHE 41.A O no hydrogen 2.834 N/A TYR 74.A N LEU 43.A O no hydrogen 2.868 N/A LYS 75.A N THR 258.A O no hydrogen 2.816 N/A ILE 76.A N SER 45.A O no hydrogen 2.886 N/A ALA 77.A N ASP 82.A OD2 no hydrogen 2.788 N/A ASP 80.A N ALA 77.A O no hydrogen 2.989 N/A ASP 82.A N ALA 77.A O no hydrogen 3.231 N/A GLN 83.A N GLN 83.A OE1 no hydrogen 2.676 N/A GLN 83.A NE2 ILE 78.A O no hydrogen 3.116 N/A PHE 84.A N GLY 81.A O no hydrogen 3.055 N/A GLY 85.A N ASP 82.A O no hydrogen 3.178 N/A SER 86.A N PHE 30.A O no hydrogen 3.015 N/A SER 86.A OG GLN 32.A O no hydrogen 3.289 N/A PHE 88.A N GLN 32.A OE1 no hydrogen 2.952 N/A PHE 88.A N GLY 85.A O no hydrogen 2.970 N/A VAL 89.A N GLY 85.A O no hydrogen 2.918 N/A LYS 90.A N SER 86.A O no hydrogen 3.082 N/A LEU 91.A N ASP 87.A O no hydrogen 3.405 N/A ASN 92.A N PHE 88.A O no hydrogen 2.847 N/A ASN 92.A ND2 LYS 96.A O no hydrogen 2.979 N/A ASN 94.A N ASN 92.A OD1 no hydrogen 2.840 N/A SER 95.A N ASN 92.A O no hydrogen 2.912 N/A SER 95.A OG GLN 83.A O no hydrogen 2.729 N/A ALA 99.A N TYR 44.A O no hydrogen 2.984 N/A LEU 100.A N VAL 111.A O no hydrogen 2.831 N/A LEU 101.A N GLN 42.A O no hydrogen 2.826 N/A ASP 102.A N VAL 109.A O no hydrogen 3.010 N/A GLN 103.A N ALA 40.A O no hydrogen 2.817 N/A GLN 103.A NE2 GLY 37.A O no hydrogen 3.012 N/A GLN 103.A NE2 GLN 39.A O no hydrogen 2.783 N/A SER 104.A N ASP 102.A OD1 no hydrogen 2.981 N/A SER 104.A OG ASP 102.A OD1 no hydrogen 2.723 N/A VAL 109.A N ASP 102.A O no hydrogen 3.001 N/A ARG 110.A NH1 LYS 90.A O no hydrogen 2.809 N/A VAL 111.A N LEU 100.A O no hydrogen 2.806 N/A SER 114.A OG ASN 50.A OD1 no hydrogen 3.476 N/A ILE 117.A N GLU 113.A O no hydrogen 2.844 N/A LEU 118.A N SER 114.A O no hydrogen 2.984 N/A LEU 119.A N ALA 115.A O no hydrogen 3.055 N/A TYR 120.A N HIS 116.A O no hydrogen 2.695 N/A TYR 120.A OH ASP 102.A OD2 no hydrogen 2.458 N/A LEU 121.A N ILE 117.A O no hydrogen 2.885 N/A ALA 122.A N LEU 118.A O no hydrogen 2.981 N/A GLU 123.A N LEU 119.A O no hydrogen 2.953 N/A LYS 124.A N TYR 120.A O no hydrogen 2.921 N/A LYS 124.A NZ ASP 102.A OD2 no hydrogen 2.966 N/A LYS 124.A NZ SER 104.A OG no hydrogen 3.247 N/A PHE 125.A N LEU 121.A O no hydrogen 2.893 N/A GLY 126.A N ALA 122.A O no hydrogen 2.665 N/A ALA 127.A N ALA 122.A O no hydrogen 3.217 N/A ARG 136.A N ASN 132.A O no hydrogen 2.813 N/A VAL 137.A N PRO 133.A O no hydrogen 3.262 N/A GLU 138.A N VAL 134.A O no hydrogen 3.440 N/A VAL 139.A N GLU 135.A O no hydrogen 3.011 N/A LEU 140.A N ARG 136.A O no hydrogen 2.962 N/A ASN 141.A N VAL 137.A O no hydrogen 2.894 N/A ASN 141.A ND2 GLU 138.A OE1 no hydrogen 3.119 N/A TRP 142.A N GLU 138.A O no hydrogen 3.355 N/A TRP 142.A NE1 GLU 138.A OE2 no hydrogen 2.885 N/A LEU 143.A N VAL 139.A O no hydrogen 2.927 N/A PHE 144.A N LEU 140.A O no hydrogen 2.862 N/A TRP 145.A N ASN 141.A O no hydrogen 2.991 N/A GLN 146.A N TRP 142.A O no hydrogen 2.989 N/A ALA 147.A N LEU 143.A O no hydrogen 3.175 N/A GLY 148.A N PHE 144.A O no hydrogen 3.029 N/A ALA 149.A N TRP 145.A O no hydrogen 2.805 N/A ALA 149.A N GLN 146.A O no hydrogen 3.113 N/A ALA 150.A N GLN 146.A O no hydrogen 2.835 N/A PHE 152.A N ALA 149.A O no hydrogen 3.089 N/A GLY 154.A N ALA 150.A O no hydrogen 2.817 N/A GLY 155.A N PRO 151.A O no hydrogen 2.745 N/A GLY 156.A N PRO 151.A O no hydrogen 3.101 N/A PHE 157.A N PHE 152.A O no hydrogen 2.758 N/A GLY 158.A N LEU 153.A O no hydrogen 2.594 N/A PHE 160.A N GLY 156.A O no hydrogen 3.104 N/A PHE 161.A N PHE 157.A O no hydrogen 2.817 N/A ASN 162.A N GLY 158.A O no hydrogen 2.924 N/A TYR 163.A N HIS 159.A O no hydrogen 2.916 N/A ALA 164.A N HIS 159.A O no hydrogen 2.883 N/A LYS 167.A NZ PHE 161.A O no hydrogen 3.246 N/A ILE 172.A N LEU 168.A O no hydrogen 3.036 N/A ASN 173.A N GLU 169.A O no hydrogen 2.938 N/A ARG 174.A N TYR 170.A O no hydrogen 3.025 N/A PHE 175.A N PRO 171.A O no hydrogen 2.999 N/A THR 176.A N ILE 172.A O no hydrogen 2.785 N/A THR 176.A OG1 ILE 172.A O no hydrogen 2.700 N/A MET 177.A N ASN 173.A O no hydrogen 3.098 N/A GLU 178.A N ARG 174.A O no hydrogen 3.296 N/A VAL 179.A N PHE 175.A O no hydrogen 2.858 N/A LYS 180.A N THR 176.A O no hydrogen 2.849 N/A LYS 180.A NZ LEU 228.A O no hydrogen 2.865 N/A LYS 180.A NZ TYR 233.A OH no hydrogen 3.027 N/A ARG 181.A N MET 177.A O no hydrogen 3.115 N/A ARG 181.A NE GLU 178.A OE1 no hydrogen 2.985 N/A ARG 181.A NH2 GLU 178.A OE2 no hydrogen 3.035 N/A GLN 182.A N GLU 178.A O no hydrogen 3.019 N/A GLN 182.A NE2 ALA 149.A O no hydrogen 3.104 N/A GLN 182.A NE2 GLU 178.A OE2 no hydrogen 3.114 N/A LEU 183.A N VAL 179.A O no hydrogen 2.916 N/A ASP 184.A N LYS 180.A O no hydrogen 2.941 N/A LEU 185.A N ARG 181.A O no hydrogen 2.958 N/A LEU 186.A N GLN 182.A O no hydrogen 3.047 N/A ASP 187.A N LEU 183.A O no hydrogen 2.932 N/A LYS 188.A N ASP 184.A O no hydrogen 2.907 N/A LYS 188.A NZ ASP 184.A OD1 no hydrogen 3.390 N/A LYS 188.A NZ ASP 184.A OD2 no hydrogen 2.592 N/A GLU 189.A N LEU 185.A O no hydrogen 3.077 N/A LEU 190.A N LEU 186.A O no hydrogen 2.921 N/A ALA 191.A N ASP 187.A O no hydrogen 3.011 N/A GLN 192.A N GLU 189.A O no hydrogen 3.133 N/A LYS 193.A N GLU 189.A O no hydrogen 3.254 N/A LYS 193.A NZ GLU 189.A OE2 no hydrogen 2.858 N/A LYS 193.A NZ ILE 196.A O no hydrogen 2.782 N/A TYR 195.A N GLY 198.A O no hydrogen 3.033 N/A ILE 196.A N ASP 205.A OD1 no hydrogen 2.904 N/A GLY 198.A N TYR 195.A O no hydrogen 3.345 N/A TYR 201.A OH GLU 60.A OE2 no hydrogen 2.829 N/A THR 202.A N ASP 205.A OD2 no hydrogen 2.955 N/A THR 202.A OG1 ASP 205.A OD2 no hydrogen 3.310 N/A ILE 203.A N PHE 128.A O no hydrogen 2.740 N/A ALA 204.A N THR 202.A OG1 no hydrogen 3.099 N/A ILE 206.A N THR 202.A O no hydrogen 3.207 N/A ALA 207.A N ILE 203.A O no hydrogen 2.873 N/A ILE 208.A N ALA 204.A O no hydrogen 2.989 N/A TRP 209.A N ASP 205.A O no hydrogen 2.602 N/A TRP 209.A NE1 ALA 240.A O no hydrogen 3.018 N/A SER 210.A N ILE 206.A O no hydrogen 3.085 N/A SER 210.A OG ILE 206.A O no hydrogen 2.804 N/A TRP 211.A N ILE 208.A O no hydrogen 3.205 N/A TRP 211.A NE1 ASN 50.A OD1 no hydrogen 2.993 N/A TYR 212.A N ILE 208.A O no hydrogen 2.718 N/A TYR 212.A OH GLN 182.A OE1 no hydrogen 2.640 N/A GLN 214.A N TRP 209.A O no hydrogen 3.087 N/A GLN 214.A NE2 SER 210.A O no hydrogen 2.832 N/A LEU 215.A N TRP 211.A O no hydrogen 2.952 N/A VAL 216.A N TYR 212.A O no hydrogen 3.144 N/A GLN 217.A N GLY 213.A O no hydrogen 3.176 N/A GLY 218.A N LEU 215.A O no hydrogen 3.144 N/A ASN 219.A N GLN 214.A O no hydrogen 2.920 N/A SER 224.A N TYR 221.A O no hydrogen 3.013 N/A SER 224.A OG TYR 221.A O no hydrogen 2.719 N/A PHE 227.A N GLY 223.A O no hydrogen 3.099 N/A LEU 228.A N SER 224.A O no hydrogen 2.831 N/A ASP 229.A N LYS 226.A O no hydrogen 3.122 N/A ALA 230.A N ALA 225.A O no hydrogen 3.076 N/A SER 232.A N ASP 229.A O no hydrogen 2.962 N/A SER 232.A OG ASP 229.A O no hydrogen 2.725 N/A TYR 233.A N ALA 230.A O no hydrogen 3.182 N/A ASN 235.A N ASP 187.A OD1 no hydrogen 2.816 N/A ASN 235.A ND2 ASP 187.A O no hydrogen 3.560 N/A LEU 236.A N ASP 187.A OD1 no hydrogen 3.033 N/A VAL 237.A N TYR 233.A O no hydrogen 2.960 N/A LYS 238.A N GLN 234.A O no hydrogen 3.180 N/A TRP 239.A N ASN 235.A O no hydrogen 3.050 N/A TRP 239.A NE1 ASP 205.A OD1 no hydrogen 3.048 N/A ALA 240.A N LEU 236.A O no hydrogen 2.964 N/A GLU 241.A N VAL 237.A O no hydrogen 2.961 N/A LYS 242.A N LYS 238.A O no hydrogen 3.093 N/A LYS 242.A NZ PRO 194.A O no hydrogen 2.767 N/A ILE 243.A N TRP 239.A O no hydrogen 3.101 N/A ALA 244.A N ALA 240.A O no hydrogen 2.921 N/A ASN 245.A N LYS 242.A O no hydrogen 3.222 N/A ASN 245.A ND2 GLU 241.A O no hydrogen 2.986 N/A ARG 246.A N ILE 243.A O no hydrogen 2.929 N/A ARG 246.A NE GLU 60.A OE2 no hydrogen 2.858 N/A ARG 246.A NH2 GLU 60.A OE1 no hydrogen 2.926 N/A LYS 250.A N ARG 246.A O no hydrogen 3.333 N/A ARG 251.A N PRO 247.A O no hydrogen 3.162 N/A ARG 251.A NH1 GLU 63.A OE1 no hydrogen 3.077 N/A ARG 251.A NH2 GLU 63.A OE1 no hydrogen 2.600 N/A GLY 252.A N ALA 248.A O no hydrogen 2.835 N/A LEU 253.A N VAL 249.A O no hydrogen 2.879 N/A GLU 254.A N LYS 250.A O no hydrogen 3.008 N/A GLU 254.A N ARG 251.A O no hydrogen 3.114 N/A THR 258.A N LEU 73.A O no hydrogen 2.861 N/A THR 258.A OG1 LEU 73.A O no hydrogen 3.454 N/A LYS 261.A NZ ASP 82.A OD1 no hydrogen 2.865 N/A