Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8xox_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N ASP 8.A OD2 no hydrogen 2.997 N/A ARG 6.A NH1 PRO 81.A O no hydrogen 2.711 N/A ARG 6.A NH2 GLU 79.A O no hydrogen 2.723 N/A ARG 6.A NH2 PRO 81.A O no hydrogen 3.276 N/A ASP 8.A N ALA 5.A O no hydrogen 2.913 N/A VAL 9.A N ARG 6.A O no hydrogen 2.962 N/A VAL 10.A N VAL 27.A O no hydrogen 2.861 N/A ASN 12.A N GLU 25.A O no hydrogen 2.746 N/A ASN 12.A ND2 LEU 11.A O no hydrogen 3.075 N/A ARG 13.A N GLU 25.A OE1 no hydrogen 3.350 N/A ARG 13.A NE GLU 25.A OE1 no hydrogen 2.865 N/A ARG 13.A NH2 GLU 25.A OE2 no hydrogen 3.243 N/A LEU 15.A N VAL 23.A O no hydrogen 2.739 N/A GLY 16.A N VAL 23.A O no hydrogen 3.377 N/A GLY 18.A N GLY 21.A O no hydrogen 2.828 N/A GLY 21.A N GLY 18.A O no hydrogen 3.385 N/A VAL 23.A N GLY 16.A O no hydrogen 2.968 N/A TYR 24.A N VAL 40.A O no hydrogen 2.835 N/A GLU 25.A N ARG 13.A O no hydrogen 2.850 N/A GLY 26.A N VAL 38.A O no hydrogen 2.833 N/A VAL 27.A N VAL 10.A O no hydrogen 2.888 N/A TYR 28.A N ILE 36.A O no hydrogen 2.804 N/A THR 29.A N ASP 8.A O no hydrogen 2.862 N/A ASN 30.A N GLU 34.A O no hydrogen 2.969 N/A ASN 30.A ND2 GLU 34.A OE1 no hydrogen 3.142 N/A LYS 32.A N ASN 30.A OD1 no hydrogen 2.908 N/A GLY 33.A N ASN 30.A O no hydrogen 2.999 N/A GLU 34.A N ASN 30.A OD1 no hydrogen 2.926 N/A LYS 35.A NZ THR 29.A OG1 no hydrogen 2.829 N/A ILE 36.A N TYR 28.A O no hydrogen 2.696 N/A VAL 38.A N GLY 26.A O no hydrogen 2.885 N/A ALA 39.A N MET 86.A O no hydrogen 2.899 N/A VAL 40.A N TYR 24.A O no hydrogen 2.727 N/A LYS 41.A N ILE 84.A O no hydrogen 2.913 N/A LYS 41.A NZ ASP 151.A OD2 no hydrogen 2.974 N/A THR 42.A N GLU 22.A O no hydrogen 3.045 N/A THR 42.A OG1 GLU 22.A O no hydrogen 2.613 N/A CYS 43.A SG PHE 20.A O no hydrogen 3.967 N/A LYS 44.A N PHE 20.A O no hydrogen 2.877 N/A CYS 47.A SG LYS 44.A O no hydrogen 3.377 N/A CYS 47.A SG THR 48.A O no hydrogen 3.577 N/A ASN 51.A N THR 48.A OG1 no hydrogen 3.189 N/A LYS 52.A N THR 48.A O no hydrogen 3.147 N/A GLU 53.A N LEU 49.A O no hydrogen 3.030 N/A LYS 54.A N ASP 50.A O no hydrogen 3.107 N/A PHE 55.A N ASN 51.A O no hydrogen 2.908 N/A MET 56.A N LYS 52.A O no hydrogen 3.169 N/A SER 57.A N GLU 53.A O no hydrogen 2.968 N/A GLU 58.A N LYS 54.A O no hydrogen 2.944 N/A ALA 59.A N PHE 55.A O no hydrogen 3.210 N/A VAL 60.A N MET 56.A O no hydrogen 2.988 N/A ILE 61.A N SER 57.A O no hydrogen 3.268 N/A MET 62.A N GLU 58.A O no hydrogen 3.001 N/A LYS 63.A N ALA 59.A O no hydrogen 2.832 N/A ASN 64.A N VAL 60.A O no hydrogen 3.311 N/A ASN 64.A N ILE 61.A O no hydrogen 2.957 N/A ASN 64.A ND2 VAL 60.A O no hydrogen 2.854 N/A LEU 65.A N MET 62.A O no hydrogen 3.083 N/A HIS 69.A N HIS 67.A ND1 no hydrogen 3.088 N/A HIS 69.A ND1 VAL 147.A O no hydrogen 3.026 N/A ILE 70.A N HIS 67.A O no hydrogen 3.216 N/A VAL 71.A N LEU 149.A O no hydrogen 2.994 N/A LYS 72.A N TYR 89.A OH no hydrogen 3.017 N/A LYS 72.A NZ GLU 87.A OE1 no hydrogen 3.038 N/A LYS 72.A NZ GLU 87.A OE2 no hydrogen 3.043 N/A ILE 74.A N ILE 85.A O no hydrogen 2.716 N/A GLY 75.A N ILE 85.A O no hydrogen 3.174 N/A ILE 77.A N TRP 83.A O no hydrogen 2.930 N/A THR 82.A N GLU 80.A OE1 no hydrogen 3.274 N/A THR 82.A OG1 GLU 78.A O no hydrogen 2.708 N/A THR 82.A OG1 GLU 80.A OE2 no hydrogen 3.133 N/A TRP 83.A N ILE 77.A O no hydrogen 3.116 N/A ILE 84.A N LYS 41.A O no hydrogen 2.907 N/A ILE 85.A N GLY 75.A O no hydrogen 2.831 N/A MET 86.A N ALA 39.A O no hydrogen 2.788 N/A GLU 87.A N LYS 72.A O no hydrogen 2.877 N/A LEU 88.A N ASN 37.A O no hydrogen 3.227 N/A TYR 89.A OH GLU 87.A OE1 no hydrogen 2.787 N/A GLY 92.A N TYR 89.A O no hydrogen 3.130 N/A LEU 94.A N ILE 139.A O no hydrogen 2.798 N/A GLY 95.A N VAL 136.A O no hydrogen 3.329 N/A TYR 97.A N GLU 93.A O no hydrogen 3.072 N/A LEU 98.A N LEU 94.A O no hydrogen 2.869 N/A GLU 99.A N GLY 95.A O no hydrogen 3.127 N/A ARG 100.A N HIS 96.A O no hydrogen 2.959 N/A ASN 101.A N TYR 97.A O no hydrogen 3.007 N/A ASN 101.A ND2 TYR 97.A O no hydrogen 2.965 N/A SER 104.A N ASN 101.A O no hydrogen 2.880 N/A SER 104.A OG ASN 101.A O no hydrogen 3.211 N/A LEU 105.A N ASN 101.A O no hydrogen 3.159 N/A THR 109.A N LYS 106.A O no hydrogen 2.985 N/A LEU 110.A N LYS 106.A O no hydrogen 3.369 N/A VAL 111.A N VAL 107.A O no hydrogen 2.980 N/A LEU 112.A N LEU 108.A O no hydrogen 2.932 N/A TYR 113.A N THR 109.A O no hydrogen 2.995 N/A TYR 113.A OH PRO 144.A O no hydrogen 2.580 N/A SER 114.A N LEU 110.A O no hydrogen 3.171 N/A SER 114.A OG LEU 110.A O no hydrogen 3.011 N/A LEU 115.A N VAL 111.A O no hydrogen 2.880 N/A GLN 116.A N LEU 112.A O no hydrogen 2.927 N/A GLN 116.A NE2 GLU 145.A O no hydrogen 2.908 N/A ILE 117.A N TYR 113.A O no hydrogen 3.104 N/A CYS 118.A N SER 114.A O no hydrogen 2.896 N/A CYS 118.A SG PHE 241.A O no hydrogen 3.824 N/A LYS 119.A N LEU 115.A O no hydrogen 2.957 N/A ALA 120.A N GLN 116.A O no hydrogen 3.190 N/A MET 121.A N ILE 117.A O no hydrogen 2.974 N/A ALA 122.A N CYS 118.A O no hydrogen 2.817 N/A TYR 123.A N LYS 119.A O no hydrogen 3.256 N/A LEU 124.A N ALA 120.A O no hydrogen 3.114 N/A GLU 125.A N MET 121.A O no hydrogen 2.766 N/A SER 126.A N ALA 122.A O no hydrogen 3.144 N/A SER 126.A N TYR 123.A O no hydrogen 3.053 N/A SER 126.A OG TYR 123.A O no hydrogen 2.553 N/A ILE 127.A N LEU 124.A O no hydrogen 3.073 N/A ASN 128.A N GLU 125.A O no hydrogen 3.065 N/A CYS 129.A N LEU 124.A O no hydrogen 2.983 N/A HIS 131.A N ASP 176.A OD2 no hydrogen 2.660 N/A HIS 131.A NE2 GLY 150.A O no hydrogen 2.846 N/A ARG 132.A N ASP 176.A OD1 no hydrogen 2.936 N/A ARG 132.A NH1 SER 155.A OG no hydrogen 2.601 N/A ASP 133.A N HIS 131.A ND1 no hydrogen 3.072 N/A VAL 136.A N GLU 186.A OE1 no hydrogen 2.993 N/A ARG 137.A NE GLU 93.A OE1 no hydrogen 2.923 N/A ARG 137.A NH1 GLU 93.A OE1 no hydrogen 3.463 N/A ARG 137.A NH1 GLU 93.A OE2 no hydrogen 3.180 N/A ASN 138.A N ALA 135.A O no hydrogen 2.738 N/A ASN 138.A ND2 ASP 133.A O no hydrogen 3.079 N/A ASN 138.A ND2 ASP 151.A O no hydrogen 2.766 N/A ILE 139.A N VAL 136.A O no hydrogen 3.429 N/A LEU 140.A N LYS 148.A O no hydrogen 2.868 N/A VAL 141.A N GLY 92.A O no hydrogen 2.859 N/A ALA 142.A N CYS 146.A O no hydrogen 2.843 N/A SER 143.A N CYS 146.A O no hydrogen 3.193 N/A SER 143.A OG GLU 145.A OE1 no hydrogen 3.165 N/A GLU 145.A N SER 143.A OG no hydrogen 3.114 N/A CYS 146.A N SER 143.A O no hydrogen 3.054 N/A CYS 146.A SG PRO 68.A O no hydrogen 3.727 N/A CYS 146.A SG HIS 69.A ND1 no hydrogen 3.699 N/A CYS 146.A SG VAL 147.A O no hydrogen 3.815 N/A VAL 147.A N GLN 116.A OE1 no hydrogen 2.931 N/A LYS 148.A N LEU 140.A O no hydrogen 2.824 N/A LYS 148.A NZ PRO 68.A O no hydrogen 2.753 N/A LEU 149.A N HIS 69.A O no hydrogen 2.766 N/A GLY 150.A N ASN 138.A O no hydrogen 2.837 N/A GLY 153.A N HIS 131.A O no hydrogen 2.871 N/A ILE 158.A N LEU 156.A O no hydrogen 2.808 N/A LYS 159.A NZ PHE 195.A O no hydrogen 3.163 N/A LYS 159.A NZ LEU 198.A O no hydrogen 2.851 N/A TRP 160.A N PRO 157.A O no hydrogen 2.950 N/A TRP 160.A NE1 GLU 186.A OE2 no hydrogen 2.767 N/A MET 161.A N ILE 158.A O no hydrogen 3.199 N/A SER 162.A OG SER 165.A OG no hydrogen 2.772 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.825 N/A SER 165.A N SER 162.A O no hydrogen 3.147 N/A SER 165.A N SER 162.A OG no hydrogen 3.175 N/A SER 165.A OG SER 162.A OG no hydrogen 2.772 N/A SER 165.A OG ARG 170.A O no hydrogen 2.759 N/A ILE 166.A N SER 162.A O no hydrogen 3.122 N/A ASN 167.A N PRO 163.A O no hydrogen 2.751 N/A PHE 168.A N GLU 164.A O no hydrogen 2.948 N/A ARG 169.A N SER 165.A O no hydrogen 3.093 N/A ARG 170.A N GLU 164.A O no hydrogen 3.340 N/A THR 172.A N SER 175.A OG no hydrogen 2.946 N/A SER 175.A N THR 172.A OG1 no hydrogen 3.297 N/A SER 175.A OG THR 172.A O no hydrogen 2.863 N/A ASP 176.A N THR 172.A O no hydrogen 3.040 N/A VAL 177.A N THR 173.A O no hydrogen 2.914 N/A TRP 178.A N ALA 174.A O no hydrogen 3.159 N/A MET 179.A N SER 175.A O no hydrogen 3.010 N/A PHE 180.A N ASP 176.A O no hydrogen 2.745 N/A ALA 181.A N VAL 177.A O no hydrogen 3.107 N/A VAL 182.A N TRP 178.A O no hydrogen 3.162 N/A CYS 183.A N MET 179.A O no hydrogen 2.874 N/A MET 184.A N PHE 180.A O no hydrogen 2.911 N/A TRP 185.A N ALA 181.A O no hydrogen 2.975 N/A TRP 185.A NE1 PRO 214.A O no hydrogen 2.679 N/A GLU 186.A N VAL 182.A O no hydrogen 2.918 N/A ILE 187.A N CYS 183.A O no hydrogen 2.883 N/A LEU 188.A N MET 184.A O no hydrogen 2.824 N/A SER 189.A N GLU 186.A O no hydrogen 3.147 N/A SER 189.A OG TRP 185.A O no hydrogen 2.616 N/A PHE 190.A N ILE 187.A O no hydrogen 3.034 N/A GLY 191.A N GLU 186.A O no hydrogen 2.709 N/A LYS 192.A N SER 189.A O no hydrogen 3.481 N/A LYS 192.A NZ SER 189.A O no hydrogen 3.222 N/A LEU 198.A N PHE 195.A O no hydrogen 3.032 N/A GLU 199.A N ASP 202.A OD2 no hydrogen 2.909 N/A ASP 202.A N GLU 199.A O no hydrogen 2.915 N/A VAL 203.A N ASN 200.A O no hydrogen 3.171 N/A VAL 206.A N ASP 202.A O no hydrogen 3.256 N/A LEU 207.A N VAL 203.A O no hydrogen 2.799 N/A GLU 208.A N ILE 204.A O no hydrogen 2.542 N/A LYS 209.A N GLY 205.A O no hydrogen 3.003 N/A LYS 209.A N VAL 206.A O no hydrogen 3.120 N/A GLY 210.A N LEU 207.A O no hydrogen 2.974 N/A ASP 211.A N VAL 206.A O no hydrogen 3.069 N/A ARG 212.A NE TRP 231.A O no hydrogen 2.949 N/A ARG 212.A NH1 LEU 207.A O no hydrogen 2.981 N/A ARG 212.A NH1 ASP 211.A O no hydrogen 3.156 N/A ARG 212.A NH2 TRP 231.A O no hydrogen 2.658 N/A LYS 215.A NZ PRO 216.A O no hydrogen 3.170 N/A LYS 215.A NZ CYS 219.A O no hydrogen 2.815 N/A CYS 219.A N PRO 216.A O no hydrogen 2.989 N/A CYS 219.A SG PRO 220.A O no hydrogen 3.557 N/A LEU 223.A N PRO 220.A O no hydrogen 2.871 N/A TYR 224.A N PRO 220.A O no hydrogen 3.091 N/A TYR 224.A OH LEU 213.A O no hydrogen 2.481 N/A THR 225.A N PRO 221.A O no hydrogen 3.014 N/A THR 225.A OG1 PRO 221.A O no hydrogen 3.159 N/A LEU 226.A N VAL 222.A O no hydrogen 3.307 N/A MET 227.A N LEU 223.A O no hydrogen 2.971 N/A THR 228.A N TYR 224.A O no hydrogen 2.927 N/A THR 228.A OG1 THR 225.A O no hydrogen 2.868 N/A ARG 229.A N THR 225.A O no hydrogen 3.038 N/A CYS 230.A N LEU 226.A O no hydrogen 3.192 N/A CYS 230.A SG LEU 226.A O no hydrogen 3.421 N/A TRP 231.A N MET 227.A O no hydrogen 3.138 N/A TRP 231.A N THR 228.A O no hydrogen 3.214 N/A ASP 232.A N ARG 229.A O no hydrogen 3.223 N/A ASP 234.A N ASP 232.A OD1 no hydrogen 3.350 N/A ASP 237.A N ASP 234.A O no hydrogen 2.973 N/A ARG 238.A N PRO 235.A O no hydrogen 3.171 N/A ARG 238.A NE ASP 232.A O no hydrogen 2.828 N/A ARG 238.A NH1 GLU 164.A OE2 no hydrogen 2.756 N/A ARG 238.A NH1 ALA 174.A O no hydrogen 2.967 N/A ARG 238.A NH2 GLU 164.A OE1 no hydrogen 3.004 N/A ARG 238.A NH2 ASP 232.A O no hydrogen 2.985 N/A ARG 240.A N GLU 243.A OE1 no hydrogen 3.007 N/A PHE 241.A N GLU 125.A OE2 no hydrogen 2.894 N/A THR 242.A N GLU 125.A OE1 no hydrogen 3.271 N/A LEU 244.A N ARG 240.A O no hydrogen 3.086 N/A VAL 245.A N PHE 241.A O no hydrogen 2.982 N/A CYS 246.A SG THR 242.A O no hydrogen 3.779 N/A SER 247.A N GLU 243.A O no hydrogen 3.038 N/A SER 247.A OG GLU 243.A O no hydrogen 3.321 N/A LEU 248.A N LEU 244.A O no hydrogen 2.735 N/A SER 249.A N VAL 245.A O no hydrogen 2.930 N/A SER 249.A OG VAL 245.A O no hydrogen 2.569 N/A ASP 250.A N CYS 246.A O no hydrogen 3.201 N/A VAL 251.A N SER 247.A O no hydrogen 3.043 N/A TYR 252.A N LEU 248.A O no hydrogen 2.808 N/A GLN 253.A N SER 249.A O no hydrogen 2.975 N/A GLN 253.A NE2.A GLN 253.A O no hydrogen 3.326 N/A GLN 253.A NE2.A ASP 257.A OD1 no hydrogen 3.097 N/A GLN 253.A NE2.A ASP 257.A OD2 no hydrogen 3.568 N/A MET 254.A N ASP 250.A O no hydrogen 2.968 N/A GLU 255.A N VAL 251.A O no hydrogen 2.927 N/A LYS 256.A N TYR 252.A O no hydrogen 2.932 N/A ASP 257.A N GLN 253.A O no hydrogen 2.866 N/A ILE 258.A N MET 254.A O no hydrogen 2.903 N/A ALA 259.A N GLU 255.A O no hydrogen 3.034 N/A MET 260.A N ASP 257.A O no hydrogen 3.121 N/A GLU 261.A N LYS 256.A O no hydrogen 2.995 N/A