Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ku4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N CYS 114.A O no hydrogen 3.017 N/A CYS 7.A SG ALA 243.A O no hydrogen 3.234 N/A HIS 10.A N ASN 8.A OD1 no hydrogen 3.024 N/A HIS 10.A ND1 ASN 8.A OD1 no hydrogen 3.002 N/A ILE 11.A N ASN 8.A O no hydrogen 3.299 N/A ALA 13.A N HIS 10.A O no hydrogen 3.027 N/A MET 14.A N ILE 11.A O no hydrogen 3.200 N/A ASP 17.A N THR 26.A OG1 no hydrogen 2.894 N/A LEU 19.A N LEU 24.A O no hydrogen 2.677 N/A HIS 21.A N GLU 104.A OE1 no hydrogen 2.973 N/A PHE 22.A N LEU 19.A O no hydrogen 2.994 N/A SER 23.A OG GLU 73.A OE1 no hydrogen 3.078 N/A SER 23.A OG ASP 76.A OD1 no hydrogen 3.056 N/A SER 23.A OG ASP 76.A OD2 no hydrogen 2.939 N/A LEU 24.A N LEU 19.A O no hydrogen 3.456 N/A SER 25.A N HIS 29.A ND1 no hydrogen 3.413 N/A SER 25.A OG GLU 16.A OE2 no hydrogen 2.700 N/A THR 26.A N ASP 17.A O no hydrogen 3.076 N/A SER 27.A N SER 25.A OG no hydrogen 3.090 N/A SER 27.A OG GLU 16.A OE2 no hydrogen 2.901 N/A THR 28.A N SER 25.A O no hydrogen 3.163 N/A THR 28.A OG1 SER 25.A O no hydrogen 3.223 N/A THR 28.A OG1 HIS 29.A ND1 no hydrogen 2.616 N/A HIS 29.A N SER 25.A O no hydrogen 2.909 N/A ALA 33.A N ASP 30.A OD1 no hydrogen 3.228 N/A MET 34.A N ASP 30.A O no hydrogen 2.935 N/A PHE 35.A N PHE 31.A O no hydrogen 2.785 N/A GLY 36.A N PRO 32.A O no hydrogen 2.806 N/A VAL 38.A N PHE 35.A O no hydrogen 2.926 N/A LYS 39.A N PRO 85.A O no hydrogen 2.853 N/A LYS 39.A NZ SER 115.A O no hydrogen 2.845 N/A PHE 40.A N PRO 85.A O no hydrogen 3.043 N/A VAL 41.A N THR 118.A O no hydrogen 2.856 N/A CYS 42.A N LEU 87.A O no hydrogen 2.907 N/A CYS 42.A SG ILE 120.A O no hydrogen 3.637 N/A VAL 43.A N ILE 120.A O no hydrogen 2.898 N/A GLY 44.A N VAL 89.A O no hydrogen 3.345 N/A ARG 49.A N SER 46.A OG no hydrogen 3.010 N/A MET 50.A N SER 46.A O no hydrogen 3.078 N/A LYS 51.A N PRO 47.A O no hydrogen 2.866 N/A ALA 52.A N SER 48.A O no hydrogen 3.096 N/A PHE 53.A N ARG 49.A O no hydrogen 2.992 N/A ILE 54.A N MET 50.A O no hydrogen 3.183 N/A LYS 55.A N LYS 51.A O no hydrogen 3.064 N/A TYR 56.A N ALA 52.A O no hydrogen 2.945 N/A VAL 57.A N PHE 53.A O no hydrogen 2.984 N/A ALA 58.A N ILE 54.A O no hydrogen 2.939 N/A MET 59.A N LYS 55.A O no hydrogen 3.086 N/A GLU 60.A N TYR 56.A O no hydrogen 2.940 N/A LEU 61.A N VAL 57.A O no hydrogen 2.868 N/A GLY 62.A N MET 59.A O no hydrogen 2.961 N/A PHE 63.A N ALA 58.A O no hydrogen 2.844 N/A ALA 64.A N ALA 58.A O no hydrogen 3.015 N/A ILE 71.A N MET 80.A O no hydrogen 2.746 N/A CYS 72.A N ASN 70.A OD1 no hydrogen 2.858 N/A CYS 72.A SG PHE 22.A O no hydrogen 3.936 N/A GLU 73.A N ASP 76.A OD2 no hydrogen 2.950 N/A ASP 76.A N GLU 73.A O no hydrogen 2.665 N/A TYR 78.A OH SER 97.A O no hydrogen 2.703 N/A ALA 79.A N SER 90.A OG no hydrogen 2.856 N/A MET 80.A N ASN 70.A OD1 no hydrogen 3.044 N/A PHE 81.A N SER 88.A O no hydrogen 2.751 N/A LYS 82.A NZ ASP 37.A OD1 no hydrogen 3.132 N/A LYS 82.A NZ ASP 37.A OD2 no hydrogen 3.238 N/A LYS 82.A NZ GLY 84.A O no hydrogen 2.704 N/A VAL 83.A N VAL 86.A O no hydrogen 3.017 N/A VAL 86.A N VAL 83.A O no hydrogen 2.988 N/A LEU 87.A N PHE 40.A O no hydrogen 2.770 N/A SER 88.A N PHE 81.A O no hydrogen 2.725 N/A SER 88.A OG MET 50.A O no hydrogen 2.926 N/A VAL 89.A N CYS 42.A O no hydrogen 3.091 N/A SER 90.A N ALA 79.A O no hydrogen 2.948 N/A HIS 91.A N GLY 44.A O no hydrogen 2.905 N/A GLY 92.A N GLY 45.A O no hydrogen 2.903 N/A GLY 94.A N GLU 233.A OE2 no hydrogen 2.811 N/A SER 97.A N GLY 94.A O no hydrogen 3.029 N/A SER 97.A OG HIS 91.A O no hydrogen 2.510 N/A ILE 98.A N GLY 94.A O no hydrogen 3.143 N/A ALA 99.A N VAL 95.A O no hydrogen 3.023 N/A ILE 100.A N PRO 96.A O no hydrogen 3.412 N/A MET 101.A N SER 97.A O no hydrogen 3.266 N/A LEU 102.A N ILE 98.A O no hydrogen 2.791 N/A HIS 103.A N ALA 99.A O no hydrogen 2.882 N/A GLU 104.A N ILE 100.A O no hydrogen 3.200 N/A LEU 105.A N MET 101.A O no hydrogen 2.755 N/A ILE 106.A N LEU 102.A O no hydrogen 2.887 N/A LYS 107.A N HIS 103.A O no hydrogen 3.166 N/A LYS 107.A NZ ASP 17.A OD1 no hydrogen 2.701 N/A LYS 107.A NZ ASP 17.A OD2 no hydrogen 3.213 N/A LEU 108.A N GLU 104.A O no hydrogen 2.948 N/A LEU 109.A N LEU 105.A O no hydrogen 2.896 N/A TYR 110.A N ILE 106.A O no hydrogen 3.017 N/A HIS 111.A N LYS 107.A O no hydrogen 2.838 N/A ALA 112.A N LEU 108.A O no hydrogen 2.891 N/A HIS 113.A N TYR 110.A O no hydrogen 3.115 N/A CYS 114.A N LEU 109.A O no hydrogen 3.132 N/A CYS 114.A SG PHE 35.A O no hydrogen 3.011 N/A CYS 114.A SG VAL 38.A O no hydrogen 3.891 N/A CYS 114.A SG LEU 109.A O no hydrogen 3.922 N/A SER 115.A OG ASN 1.A OD1 no hydrogen 2.793 N/A GLY 116.A N ASP 2.A O no hydrogen 3.183 N/A THR 118.A N LYS 39.A O no hydrogen 2.871 N/A LEU 119.A N ARG 247.A O no hydrogen 2.920 N/A ILE 120.A N VAL 41.A O no hydrogen 2.886 N/A ARG 121.A N ALA 249.A O no hydrogen 2.896 N/A ARG 121.A NE GLU 231.A OE2 no hydrogen 2.936 N/A ARG 121.A NH2 GLU 231.A OE2 no hydrogen 2.744 N/A ILE 122.A N VAL 43.A O no hydrogen 2.785 N/A GLY 123.A N VAL 251.A O no hydrogen 3.344 N/A SER 125.A OG VAL 253.A O no hydrogen 3.088 N/A GLY 126.A N ILE 230.A O no hydrogen 3.082 N/A GLY 127.A N LEU 256.A O no hydrogen 2.907 N/A ILE 128.A N ARG 228.A O no hydrogen 2.845 N/A GLY 129.A N ASN 257.A OD1 no hydrogen 3.029 N/A GLY 133.A N THR 254.A O no hydrogen 2.724 N/A SER 134.A N GLU 131.A O no hydrogen 3.115 N/A SER 134.A OG GLU 131.A O no hydrogen 2.783 N/A VAL 135.A N PRO 184.A O no hydrogen 2.863 N/A VAL 136.A N CYS 252.A O no hydrogen 2.798 N/A ILE 137.A N VAL 186.A O no hydrogen 2.945 N/A THR 138.A N VAL 250.A O no hydrogen 3.068 N/A THR 138.A OG1 THR 190.A OG1 no hydrogen 2.493 N/A ARG 139.A N GLY 188.A O no hydrogen 2.785 N/A ARG 139.A NE ASN 189.A OD1 no hydrogen 3.445 N/A GLN 140.A N ASN 189.A OD1 no hydrogen 2.957 N/A GLN 140.A NE2 ASP 164.A OD1 no hydrogen 2.959 N/A ALA 141.A N THR 163.A O no hydrogen 3.147 N/A VAL 142.A N THR 190.A O no hydrogen 2.529 N/A ASP 143.A N LYS 147.A O no hydrogen 2.797 N/A CYS 145.A N ASP 143.A OD2 no hydrogen 2.851 N/A PHE 146.A N ASP 143.A O no hydrogen 2.693 N/A LYS 147.A N ASP 143.A OD2 no hydrogen 2.912 N/A LYS 147.A NZ ASP 143.A OD1 no hydrogen 3.058 N/A PHE 150.A N ARG 161.A O no hydrogen 2.884 N/A GLN 152.A N GLU 159.A O no hydrogen 2.949 N/A VAL 154.A N LYS 157.A O no hydrogen 2.709 N/A ARG 158.A NE GLU 151.A OE2 no hydrogen 3.181 N/A ARG 158.A NH2 GLU 151.A OE2 no hydrogen 3.153 N/A GLU 159.A N GLN 152.A O no hydrogen 2.722 N/A ARG 161.A N PHE 150.A O no hydrogen 2.995 N/A ARG 161.A NH2 GLU 159.A OE1 no hydrogen 2.975 N/A ASN 162.A ND2 ASN 242.A OD1 no hydrogen 3.360 N/A THR 163.A N PRO 148.A O no hydrogen 3.133 N/A THR 163.A OG1 ALA 141.A O no hydrogen 2.326 N/A LEU 165.A N ARG 139.A O no hydrogen 2.895 N/A ASP 166.A N ALA 248.A O no hydrogen 3.217 N/A LEU 169.A N ASP 166.A OD1 no hydrogen 2.759 N/A VAL 170.A N ASP 166.A O no hydrogen 2.991 N/A GLN 171.A N GLU 167.A O no hydrogen 3.248 N/A GLN 171.A NE2 GLU 167.A OE1 no hydrogen 3.292 N/A GLU 172.A N GLN 168.A O no hydrogen 3.012 N/A LEU 173.A N LEU 169.A O no hydrogen 3.043 N/A ALA 174.A N VAL 170.A O no hydrogen 2.890 N/A ARG 175.A N GLN 171.A O no hydrogen 2.950 N/A CYS 176.A N GLU 172.A O no hydrogen 2.923 N/A CYS 176.A SG GLU 172.A O no hydrogen 3.388 N/A SER 177.A N LEU 173.A O no hydrogen 3.021 N/A SER 177.A OG THR 185.A OG1 no hydrogen 2.644 N/A ALA 178.A N ALA 174.A O no hydrogen 3.072 N/A GLU 179.A N ARG 175.A O no hydrogen 3.122 N/A LEU 180.A N CYS 176.A O no hydrogen 3.273 N/A GLY 181.A N SER 177.A O no hydrogen 3.118 N/A THR 185.A OG1 SER 177.A OG no hydrogen 2.644 N/A VAL 186.A N VAL 135.A O no hydrogen 2.971 N/A GLY 188.A N ILE 137.A O no hydrogen 3.236 N/A ASN 189.A N GLY 226.A O no hydrogen 2.953 N/A ASN 189.A ND2 GLN 140.A OE1 no hydrogen 3.044 N/A THR 190.A N GLN 140.A O no hydrogen 2.980 N/A THR 190.A OG1 THR 138.A OG1 no hydrogen 2.493 N/A THR 190.A OG1 ASN 229.A OD1 no hydrogen 2.703 N/A MET 191.A N ASN 229.A O no hydrogen 2.919 N/A CYS 192.A N VAL 142.A O no hydrogen 2.790 N/A CYS 192.A SG SER 235.A OG no hydrogen 3.067 N/A THR 193.A N GLU 231.A O no hydrogen 3.079 N/A THR 193.A OG1 ASP 195.A O no hydrogen 2.970 N/A GLU 198.A N ASP 195.A OD2 no hydrogen 2.819 N/A GLY 199.A N ASP 195.A OD2 no hydrogen 3.002 N/A GLY 201.A N GLU 198.A O no hydrogen 3.283 N/A ARG 202.A N TYR 197.A O no hydrogen 2.968 N/A ARG 202.A NE ASP 204.A OD2 no hydrogen 2.930 N/A ARG 202.A NH2 ASP 204.A OD1 no hydrogen 2.713 N/A ARG 202.A NH2 ASP 204.A OD2 no hydrogen 3.536 N/A CYS 208.A SG ARG 202.A O no hydrogen 3.917 N/A CYS 208.A SG TYR 210.A O no hydrogen 3.365 N/A TYR 210.A OH ARG 202.A O no hydrogen 2.536 N/A THR 211.A N ASP 214.A OD2 no hydrogen 2.859 N/A ASP 214.A N THR 211.A OG1 no hydrogen 3.240 N/A LYS 215.A N THR 211.A O no hydrogen 2.968 N/A LYS 215.A NZ GLU 212.A OE1 no hydrogen 2.802 N/A LYS 215.A NZ ASP 262.A OD2 no hydrogen 3.416 N/A GLN 216.A N GLU 212.A O no hydrogen 3.028 N/A GLN 216.A NE2 GLU 212.A OE2 no hydrogen 2.899 N/A GLN 216.A NE2 ARG 258.A O no hydrogen 3.681 N/A ASP 217.A N LYS 213.A O no hydrogen 3.093 N/A TYR 218.A N ASP 214.A O no hydrogen 3.242 N/A TYR 218.A N LYS 215.A O no hydrogen 3.151 N/A TYR 218.A OH PRO 144.A O no hydrogen 2.618 N/A LEU 219.A N LYS 215.A O no hydrogen 2.948 N/A ARG 220.A N GLN 216.A O no hydrogen 2.762 N/A ALA 221.A N ASP 217.A O no hydrogen 3.149 N/A ALA 222.A N TYR 218.A O no hydrogen 2.813 N/A TYR 223.A N LEU 219.A O no hydrogen 2.922 N/A ALA 224.A N ARG 220.A O no hydrogen 2.964 N/A ALA 225.A N ALA 221.A O no hydrogen 3.146 N/A ALA 225.A N ALA 222.A O no hydrogen 3.011 N/A GLY 226.A N TYR 223.A O no hydrogen 2.800 N/A ILE 227.A N ALA 222.A O no hydrogen 3.137 N/A ARG 228.A N ASN 189.A O no hydrogen 2.967 N/A ARG 228.A NH1 TYR 223.A O no hydrogen 2.977 N/A ARG 228.A NH1 ILE 227.A O no hydrogen 3.188 N/A ASN 229.A ND2 SER 125.A OG no hydrogen 3.195 N/A ILE 230.A N GLY 126.A O no hydrogen 2.848 N/A GLU 231.A N MET 191.A O no hydrogen 2.941 N/A GLU 233.A N GLU 231.A OE1 no hydrogen 3.235 N/A GLU 233.A N GLU 231.A OE2 no hydrogen 3.141 N/A ALA 234.A N GLU 231.A OE1 no hydrogen 2.723 N/A ALA 238.A N ALA 234.A O no hydrogen 2.952 N/A ALA 239.A N SER 235.A O no hydrogen 2.924 N/A MET 240.A N VAL 236.A O no hydrogen 2.847 N/A CYS 241.A N PHE 237.A O no hydrogen 3.079 N/A CYS 241.A SG PHE 237.A O no hydrogen 3.440 N/A ASN 242.A N ALA 238.A O no hydrogen 3.031 N/A ALA 243.A N ALA 239.A O no hydrogen 2.936 N/A CYS 244.A N MET 240.A O no hydrogen 3.077 N/A CYS 244.A SG MET 240.A O no hydrogen 3.801 N/A GLY 245.A N ASN 242.A O no hydrogen 3.176 N/A LEU 246.A N CYS 241.A O no hydrogen 2.799 N/A ALA 249.A N LEU 119.A O no hydrogen 2.774 N/A VAL 251.A N ARG 121.A O no hydrogen 2.781 N/A CYS 252.A N VAL 136.A O no hydrogen 3.159 N/A VAL 253.A N GLY 123.A O no hydrogen 3.085 N/A THR 254.A N SER 134.A O no hydrogen 2.759 N/A THR 254.A OG1 GLU 131.A O no hydrogen 3.413 N/A THR 254.A OG1 SER 134.A O no hydrogen 3.315 N/A LEU 255.A N SER 125.A O no hydrogen 2.954 N/A ARG 258.A N GLY 127.A O no hydrogen 2.888 N/A LEU 259.A N ASN 257.A OD1 no hydrogen 3.076 N/A GLU 260.A N ASN 257.A O no hydrogen 2.807 N/A GLY 261.A N ARG 258.A O no hydrogen 3.122 N/A LEU 271.A N PRO 267.A O no hydrogen 3.025 N/A ALA 272.A N HIS 268.A O no hydrogen 2.999 N/A GLU 273.A N ASP 269.A O no hydrogen 3.218 N/A TYR 274.A N VAL 270.A O no hydrogen 2.864 N/A GLN 275.A N LEU 271.A O no hydrogen 2.836 N/A GLN 275.A NE2 LEU 271.A O no hydrogen 2.871 N/A GLN 276.A N GLU 273.A O no hydrogen 3.231 N/A ARG 277.A N TYR 274.A O no hydrogen 3.090 N/A ARG 277.A NH1 GLY 133.A O no hydrogen 2.843 N/A ARG 277.A NH2 GLU 273.A OE2 no hydrogen 3.049 N/A ARG 280.A N GLN 276.A O no hydrogen 2.974 N/A LEU 281.A N ARG 277.A O no hydrogen 3.113 N/A VAL 282.A N PRO 278.A O no hydrogen 3.001 N/A GLY 283.A N GLN 279.A O no hydrogen 2.988 N/A GLN 284.A N ARG 280.A O no hydrogen 3.046 N/A PHE 285.A N LEU 281.A O no hydrogen 2.959 N/A ILE 286.A N VAL 282.A O no hydrogen 2.929 N/A LYS 287.A N GLY 283.A O no hydrogen 2.840 N/A LYS 288.A N GLN 284.A O no hydrogen 2.985 N/A ARG 289.A N PHE 285.A O no hydrogen 3.064 N/A ARG 289.A NE GLU 172.A OE1 no hydrogen 2.745 N/A ARG 289.A NH2 GLU 172.A OE2 no hydrogen 2.826 N/A LEU 290.A N ILE 286.A O no hydrogen 2.972 N/A MET 291.A N LYS 287.A O no hydrogen 3.129 N/A MET 291.A N LYS 288.A O no hydrogen 3.329 N/A