Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7b3w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N GLN 1.A O no hydrogen 3.373 N/A ILE 5.A N ILE 63.A O no hydrogen 2.885 N/A SER 9.A N GLY 6.A O no hydrogen 2.828 N/A LEU 10.A N PRO 7.A O no hydrogen 3.365 N/A ILE 11.A N THR 30.A O no hydrogen 2.778 N/A HIS 13.A N HIS 28.A O no hydrogen 2.874 N/A HIS 13.A NE2 THR 30.A OG1 no hydrogen 2.692 N/A PHE 14.A N VAL 12.A O no hydrogen 3.025 N/A GLU 16.A N HIS 13.A O no hydrogen 2.791 N/A ILE 18.A N VAL 26.A O no hydrogen 2.774 N/A GLY 19.A N VAL 26.A O no hydrogen 3.239 N/A GLY 21.A N GLY 24.A O no hydrogen 2.986 N/A HIS 22.A N ASP 143.A OD1 no hydrogen 3.106 N/A PHE 23.A N ASP 143.A OD1 no hydrogen 3.109 N/A PHE 23.A N ASP 143.A OD2 no hydrogen 2.877 N/A CYS 25.A N SER 43.A OG no hydrogen 3.269 N/A VAL 26.A N GLY 19.A O no hydrogen 2.785 N/A TYR 27.A N VAL 41.A O no hydrogen 2.822 N/A HIS 28.A N GLU 16.A O no hydrogen 2.907 N/A GLY 29.A N CYS 39.A O no hydrogen 2.867 N/A THR 30.A N ILE 11.A O no hydrogen 2.812 N/A THR 30.A OG1 HIS 13.A NE2 no hydrogen 2.692 N/A LEU 31.A N ILE 37.A O no hydrogen 2.792 N/A LEU 32.A N SER 9.A O no hydrogen 2.832 N/A ASP 33.A N LYS 35.A O no hydrogen 2.834 N/A LYS 35.A N ASP 33.A OD1 no hydrogen 3.134 N/A ILE 37.A N LEU 31.A O no hydrogen 2.670 N/A CYS 39.A N GLY 29.A O no hydrogen 2.929 N/A ALA 40.A N LEU 72.A O no hydrogen 2.899 N/A VAL 41.A N TYR 27.A O no hydrogen 2.744 N/A LYS 42.A N VAL 70.A O no hydrogen 2.698 N/A LYS 42.A NZ GLY 24.A O no hydrogen 2.874 N/A LYS 42.A NZ ASP 143.A OD2 no hydrogen 2.743 N/A LYS 42.A NZ TYR 145.A OH no hydrogen 2.810 N/A SER 43.A N CYS 25.A O no hydrogen 2.919 N/A SER 43.A OG CYS 25.A O no hydrogen 3.119 N/A LEU 44.A N PRO 68.A O no hydrogen 3.084 N/A ARG 46.A N PHE 23.A O no hydrogen 3.117 N/A ARG 46.A NH1 HIS 22.A O no hydrogen 2.885 N/A ASP 51.A N ILE 48.A O no hydrogen 3.096 N/A PHE 52.A N MET 49.A O no hydrogen 3.010 N/A SER 53.A N TYR 109.A OH no hydrogen 2.812 N/A ASN 56.A N HIS 54.A ND1 no hydrogen 2.870 N/A ASN 56.A ND2 GLN 102.A OE1 no hydrogen 3.131 N/A ASN 56.A ND2 VAL 133.A O no hydrogen 3.097 N/A VAL 57.A N HIS 54.A O no hydrogen 2.927 N/A LEU 58.A N VAL 135.A O no hydrogen 2.863 N/A LEU 61.A N VAL 71.A O no hydrogen 2.833 N/A GLY 62.A N VAL 71.A O no hydrogen 3.242 N/A ILE 63.A N VAL 3.A O no hydrogen 2.909 N/A CYS 64.A N LEU 69.A O no hydrogen 2.836 N/A CYS 64.A SG ILE 5.A O no hydrogen 3.569 N/A LEU 69.A N CYS 64.A O no hydrogen 3.202 N/A VAL 70.A N LYS 42.A O no hydrogen 2.727 N/A VAL 71.A N GLY 62.A O no hydrogen 2.781 N/A LEU 72.A N ALA 40.A O no hydrogen 2.882 N/A HIS 77.A N LEU 127.A O no hydrogen 3.045 N/A GLY 78.A N MET 75.A O no hydrogen 3.066 N/A LEU 80.A N CYS 125.A O no hydrogen 2.805 N/A ARG 81.A NH2 GLY 195.A O no hydrogen 3.006 N/A ASN 82.A N ASP 79.A OD2 no hydrogen 3.088 N/A ASN 82.A ND2 ASP 79.A OD1 no hydrogen 2.771 N/A PHE 83.A N ASP 79.A O no hydrogen 3.122 N/A ILE 84.A N LEU 80.A O no hydrogen 3.112 N/A ARG 85.A N ARG 81.A O no hydrogen 3.066 N/A ARG 85.A NH2 GLY 195.A O no hydrogen 2.743 N/A ASN 86.A N ASN 82.A O no hydrogen 3.106 N/A THR 88.A N ASN 86.A OD1 no hydrogen 3.162 N/A THR 88.A OG1 ASN 86.A OD1 no hydrogen 2.880 N/A HIS 89.A N ASN 86.A O no hydrogen 2.872 N/A HIS 89.A ND1 PHE 83.A O no hydrogen 2.677 N/A THR 92.A N ASP 95.A OD2 no hydrogen 2.812 N/A ASP 95.A N THR 92.A OG1 no hydrogen 3.279 N/A LEU 96.A N THR 92.A O no hydrogen 3.050 N/A ILE 97.A N VAL 93.A O no hydrogen 2.928 N/A GLY 98.A N LYS 94.A O no hydrogen 2.844 N/A PHE 99.A N ASP 95.A O no hydrogen 2.864 N/A GLY 100.A N LEU 96.A O no hydrogen 3.052 N/A LEU 101.A N ILE 97.A O no hydrogen 2.818 N/A GLN 102.A N GLY 98.A O no hydrogen 3.082 N/A GLN 102.A NE2 PHE 131.A O no hydrogen 3.430 N/A VAL 103.A N PHE 99.A O no hydrogen 3.023 N/A ALA 104.A N GLY 100.A O no hydrogen 2.949 N/A LYS 105.A N LEU 101.A O no hydrogen 3.015 N/A GLY 106.A N GLN 102.A O no hydrogen 3.128 N/A MET 107.A N VAL 103.A O no hydrogen 2.915 N/A LYS 108.A N ALA 104.A O no hydrogen 2.801 N/A TYR 109.A N LYS 105.A O no hydrogen 3.127 N/A LEU 110.A N GLY 106.A O no hydrogen 3.077 N/A ALA 111.A N MET 107.A O no hydrogen 2.904 N/A SER 112.A N LYS 108.A O no hydrogen 3.170 N/A SER 112.A OG TYR 109.A O no hydrogen 2.703 N/A LYS 113.A N TYR 109.A O no hydrogen 3.209 N/A LYS 114.A N ALA 111.A O no hydrogen 3.102 N/A PHE 115.A N LEU 110.A O no hydrogen 2.898 N/A HIS 117.A N ASP 180.A OD2 no hydrogen 2.789 N/A HIS 117.A NE2 ALA 136.A O no hydrogen 2.691 N/A ARG 118.A N ASP 180.A OD1 no hydrogen 2.908 N/A ASP 119.A N HIS 117.A ND1 no hydrogen 3.167 N/A ALA 122.A N GLU 190.A OE1 no hydrogen 2.761 N/A ARG 123.A NE TYR 150.A OH no hydrogen 2.965 N/A ARG 123.A NH2 ASP 119.A OD1 no hydrogen 3.119 N/A ARG 123.A NH2 TYR 150.A OH no hydrogen 3.245 N/A ASN 124.A N ALA 121.A O no hydrogen 2.898 N/A ASN 124.A ND2 ASP 119.A O no hydrogen 2.801 N/A CYS 125.A N ALA 122.A O no hydrogen 3.292 N/A CYS 125.A SG ALA 121.A O no hydrogen 3.722 N/A MET 126.A N LYS 134.A O no hydrogen 2.878 N/A LEU 127.A N GLY 78.A O no hydrogen 2.904 N/A ASP 128.A N THR 132.A O no hydrogen 3.093 N/A LYS 130.A N ASP 128.A OD1 no hydrogen 2.922 N/A PHE 131.A N ASP 128.A O no hydrogen 3.015 N/A THR 132.A N ASP 128.A OD1 no hydrogen 3.116 N/A VAL 133.A N GLN 102.A OE1 no hydrogen 2.859 N/A LYS 134.A N MET 126.A O no hydrogen 2.851 N/A LYS 134.A NZ PRO 55.A O no hydrogen 2.779 N/A VAL 135.A N ASN 56.A O no hydrogen 2.889 N/A ALA 136.A N ASN 124.A O no hydrogen 2.818 N/A ALA 141.A N PHE 138.A O no hydrogen 3.010 N/A ARG 142.A N GLY 139.A O no hydrogen 3.191 N/A ARG 142.A NH1 HIS 117.A O no hydrogen 2.975 N/A ARG 142.A NH1 ASP 137.A O no hydrogen 2.810 N/A ARG 142.A NH2 HIS 117.A O no hydrogen 2.720 N/A ASP 143.A N ASP 137.A OD2 no hydrogen 3.425 N/A MET 144.A N ASP 143.A OD1 no hydrogen 2.842 N/A TYR 149.A N ASP 146.A O no hydrogen 3.427 N/A TYR 150.A N LYS 147.A O no hydrogen 3.264 N/A TYR 150.A OH ASP 119.A OD1 no hydrogen 3.111 N/A TYR 150.A OH ASP 119.A OD2 no hydrogen 2.685 N/A SER 151.A N LEU 160.A O no hydrogen 2.908 N/A HIS 153.A N ALA 158.A O no hydrogen 2.760 N/A THR 156.A N HIS 153.A ND1 no hydrogen 3.199 N/A THR 156.A OG1 HIS 153.A ND1 no hydrogen 3.143 N/A GLY 157.A N HIS 153.A O no hydrogen 2.816 N/A ALA 158.A N THR 156.A OG1 no hydrogen 3.305 N/A LEU 160.A N SER 151.A O no hydrogen 2.759 N/A VAL 162.A N LEU 160.A O no hydrogen 2.866 N/A LYS 163.A NZ TYR 199.A O no hydrogen 2.781 N/A LYS 163.A NZ VAL 202.A O no hydrogen 3.026 N/A TRP 164.A N PRO 161.A O no hydrogen 2.958 N/A TRP 164.A NE1 GLU 190.A OE1 no hydrogen 2.950 N/A GLU 168.A N GLU 168.A OE1 no hydrogen 2.871 N/A SER 169.A OG LYS 174.A O no hydrogen 2.697 N/A LEU 170.A N ALA 166.A O no hydrogen 3.025 N/A GLN 171.A N LEU 167.A O no hydrogen 3.320 N/A THR 172.A N GLU 168.A O no hydrogen 2.974 N/A THR 172.A OG1 GLU 168.A O no hydrogen 2.682 N/A GLN 173.A N SER 169.A O no hydrogen 2.769 N/A LYS 174.A N THR 172.A OG1 no hydrogen 3.319 N/A THR 176.A N SER 179.A OG no hydrogen 2.750 N/A SER 179.A N THR 176.A O no hydrogen 2.929 N/A SER 179.A N THR 176.A OG1 no hydrogen 3.267 N/A SER 179.A OG THR 176.A O no hydrogen 2.738 N/A ASP 180.A N THR 176.A O no hydrogen 2.998 N/A VAL 181.A N THR 177.A O no hydrogen 2.800 N/A TRP 182.A N LYS 178.A O no hydrogen 3.191 N/A SER 183.A N SER 179.A O no hydrogen 3.189 N/A SER 183.A OG TRP 164.A O no hydrogen 2.581 N/A SER 183.A OG SER 179.A O no hydrogen 3.215 N/A PHE 184.A N ASP 180.A O no hydrogen 2.979 N/A GLY 185.A N VAL 181.A O no hydrogen 3.293 N/A VAL 186.A N TRP 182.A O no hydrogen 3.258 N/A LEU 187.A N SER 183.A O no hydrogen 2.805 N/A LEU 188.A N PHE 184.A O no hydrogen 2.843 N/A TRP 189.A N GLY 185.A O no hydrogen 3.032 N/A TRP 189.A NE1 LEU 218.A O no hydrogen 2.879 N/A GLU 190.A N VAL 186.A O no hydrogen 2.866 N/A LEU 191.A N LEU 187.A O no hydrogen 3.000 N/A MET 192.A N LEU 188.A O no hydrogen 3.026 N/A THR 193.A N TRP 189.A O no hydrogen 3.138 N/A THR 193.A N GLU 190.A O no hydrogen 3.241 N/A THR 193.A OG1 TRP 189.A O no hydrogen 2.982 N/A THR 193.A OG1 GLU 190.A O no hydrogen 3.092 N/A ARG 194.A N LEU 191.A O no hydrogen 3.115 N/A ARG 194.A NE ILE 84.A O no hydrogen 2.744 N/A ARG 194.A NH1 HIS 89.A O no hydrogen 3.563 N/A ARG 194.A NH2 ILE 84.A O no hydrogen 2.961 N/A ARG 194.A NH2 HIS 89.A O no hydrogen 3.003 N/A GLY 195.A N GLU 190.A O no hydrogen 2.782 N/A ALA 196.A N THR 193.A OG1 no hydrogen 3.177 N/A VAL 202.A N TYR 199.A O no hydrogen 3.400 N/A ASN 203.A ND2 ASP 206.A OD2 no hydrogen 3.066 N/A ASP 206.A N ASN 203.A OD1 no hydrogen 3.094 N/A TYR 210.A N ASP 206.A O no hydrogen 3.114 N/A LEU 211.A N ILE 207.A O no hydrogen 2.995 N/A LEU 212.A N THR 208.A O no hydrogen 2.919 N/A GLN 213.A N VAL 209.A O no hydrogen 3.002 N/A GLY 214.A N LEU 211.A O no hydrogen 3.279 N/A ARG 215.A N TYR 210.A O no hydrogen 3.255 N/A ARG 216.A NE TRP 235.A O no hydrogen 2.764 N/A ARG 216.A NH1 LEU 211.A O no hydrogen 2.958 N/A ARG 216.A NH1 ARG 215.A O no hydrogen 2.790 N/A ARG 216.A NH2 TRP 235.A O no hydrogen 2.872 N/A GLN 219.A NE2 CYS 223.A O no hydrogen 2.960 N/A GLN 219.A NE2 ASP 225.A OD1 no hydrogen 2.833 N/A CYS 223.A N PRO 220.A O no hydrogen 3.109 N/A CYS 223.A SG PRO 224.A O no hydrogen 3.500 N/A TYR 228.A N PRO 224.A O no hydrogen 3.041 N/A TYR 228.A OH LEU 217.A O no hydrogen 2.670 N/A GLU 229.A N ASP 225.A O no hydrogen 3.067 N/A VAL 230.A N PRO 226.A O no hydrogen 3.082 N/A MET 231.A N LEU 227.A O no hydrogen 2.952 N/A LEU 232.A N TYR 228.A O no hydrogen 2.937 N/A LYS 233.A N GLU 229.A O no hydrogen 3.141 N/A CYS 234.A N MET 231.A O no hydrogen 2.866 N/A CYS 234.A SG VAL 181.A O no hydrogen 3.600 N/A CYS 234.A SG VAL 230.A O no hydrogen 3.512 N/A TRP 235.A N LEU 232.A O no hydrogen 3.381 N/A LYS 238.A N HIS 236.A ND1 no hydrogen 3.024 N/A GLU 240.A N GLU 240.A OE1 no hydrogen 3.057 N/A MET 241.A N LYS 238.A O no hydrogen 2.978 N/A ARG 242.A N ALA 239.A O no hydrogen 3.241 N/A ARG 242.A NE HIS 236.A O no hydrogen 2.988 N/A ARG 242.A NH1 GLU 168.A OE1 no hydrogen 3.379 N/A ARG 242.A NH1 GLU 168.A OE2 no hydrogen 2.981 N/A ARG 242.A NH1 LYS 178.A O no hydrogen 3.077 N/A ARG 242.A NH2 GLU 168.A OE1 no hydrogen 2.837 N/A ARG 242.A NH2 HIS 236.A O no hydrogen 3.018 N/A GLU 247.A N SER 244.A OG no hydrogen 3.088 N/A LEU 248.A N SER 244.A O no hydrogen 3.013 N/A VAL 249.A N PHE 245.A O no hydrogen 2.851 N/A SER 250.A N SER 246.A O no hydrogen 3.202 N/A SER 250.A OG SER 246.A O no hydrogen 3.100 N/A ARG 251.A N GLU 247.A O no hydrogen 2.962 N/A ARG 251.A NE GLU 247.A OE2 no hydrogen 2.800 N/A ARG 251.A NH2 GLU 247.A OE2 no hydrogen 2.950 N/A ILE 252.A N LEU 248.A O no hydrogen 2.907 N/A SER 253.A N VAL 249.A O no hydrogen 2.973 N/A SER 253.A OG VAL 249.A O no hydrogen 2.716 N/A SER 253.A OG SER 250.A O no hydrogen 2.941 N/A ALA 254.A N SER 250.A O no hydrogen 3.141 N/A ILE 255.A N ARG 251.A O no hydrogen 3.034 N/A PHE 256.A N ILE 252.A O no hydrogen 2.799 N/A SER 257.A N SER 253.A O no hydrogen 2.948 N/A SER 257.A OG SER 253.A O no hydrogen 2.973 N/A THR 258.A N ILE 255.A O no hydrogen 3.201 N/A THR 258.A OG1 ILE 255.A O no hydrogen 2.662 N/A PHE 259.A N PHE 256.A O no hydrogen 3.255 N/A