Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kie_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 7.A N ASN 5.A OD1 no hydrogen 2.936 N/A HIS 8.A N ASN 5.A OD1 no hydrogen 2.875 N/A GLU 14.A N GLU 14.A OE1 no hydrogen 2.779 N/A ALA 15.A N THR 12.A OG1 no hydrogen 3.062 N/A ILE 16.A N THR 12.A O no hydrogen 3.094 N/A SER 17.A N.A PRO 13.A O no hydrogen 2.911 N/A SER 17.A N.B PRO 13.A O no hydrogen 2.911 N/A SER 17.A OG.A PRO 13.A O no hydrogen 3.056 N/A LEU 18.A N GLU 14.A O no hydrogen 2.977 N/A ALA 19.A N ALA 15.A O no hydrogen 2.999 N/A LEU 20.A N ILE 16.A O no hydrogen 2.889 N/A GLU 21.A N SER 17.A O.A no hydrogen 2.994 N/A GLU 21.A N SER 17.A O.B no hydrogen 2.987 N/A ASN 22.A N LEU 18.A O no hydrogen 2.884 N/A HIS 23.A N LEU 20.A O no hydrogen 3.157 N/A GLU 24.A N ALA 19.A O no hydrogen 2.897 N/A LYS 26.A N ARG 48.A O no hydrogen 2.917 N/A LYS 26.A NZ HIS 23.A O no hydrogen 2.892 N/A TRP 28.A N LEU 46.A O no hydrogen 2.797 N/A TRP 28.A NE1 GLU 50.A OE2 no hydrogen 2.788 N/A ILE 29.A N VAL 250.A O no hydrogen 2.778 N/A GLN 30.A N GLU 44.A O no hydrogen 2.890 N/A GLN 30.A NE2 SER 247.A O no hydrogen 2.829 N/A VAL 32.A N GLY 42.A O no hydrogen 2.884 N/A PHE 33.A N LEU 241.A O no hydrogen 2.883 N/A CYS 34.A N VAL 39.A O no hydrogen 2.948 N/A ALA 35.A N HIS 239.A O no hydrogen 2.800 N/A GLN 36.A NE2 ASP 231.A OD1 no hydrogen 3.151 N/A THR 37.A N CYS 34.A O no hydrogen 2.938 N/A THR 37.A OG1 CYS 34.A O no hydrogen 2.697 N/A VAL 39.A N THR 37.A OG1 no hydrogen 3.010 N/A THR 41.A N VAL 32.A O no hydrogen 2.856 N/A THR 41.A OG1 VAL 32.A O no hydrogen 3.240 N/A GLY 42.A N VAL 32.A O no hydrogen 3.321 N/A CYS 43.A N HIS 99.A O no hydrogen 2.816 N/A CYS 43.A SG HIS 99.A O no hydrogen 3.918 N/A GLU 44.A N GLN 30.A O no hydrogen 2.848 N/A VAL 45.A N GLY 101.A O no hydrogen 2.837 N/A LEU 46.A N TRP 28.A O no hydrogen 2.773 N/A ARG 48.A N LYS 26.A O no hydrogen 3.003 N/A ARG 48.A NH1 VAL 47.A O no hydrogen 2.855 N/A TRP 49.A N ILE 57.A O no hydrogen 3.028 N/A TRP 49.A NE1 GLU 24.A OE1 no hydrogen 2.795 N/A GLU 50.A N GLU 24.A O no hydrogen 2.890 N/A HIS 51.A N GLY 55.A O no hydrogen 3.026 N/A HIS 51.A ND1 GLU 24.A OE1 no hydrogen 2.778 N/A GLY 55.A N HIS 51.A O no hydrogen 2.959 N/A ILE 57.A N TRP 49.A O no hydrogen 2.766 N/A GLN 61.A N PRO 58.A O no hydrogen 3.120 N/A PHE 62.A N PRO 59.A O no hydrogen 3.061 N/A ILE 63.A N PRO 59.A O no hydrogen 2.901 N/A ALA 66.A N PHE 62.A O no hydrogen 2.852 N/A GLU 67.A N ILE 63.A O no hydrogen 2.865 N/A SER 68.A N PRO 64.A O no hydrogen 2.991 N/A SER 68.A OG LEU 65.A O no hydrogen 3.387 N/A SER 69.A N LEU 65.A O no hydrogen 2.938 N/A SER 69.A OG LEU 65.A O no hydrogen 2.814 N/A SER 69.A OG ALA 66.A O no hydrogen 3.221 N/A GLY 70.A N GLU 67.A O no hydrogen 3.187 N/A LEU 71.A N SER 69.A OG no hydrogen 3.158 N/A ILE 72.A N ALA 66.A O no hydrogen 2.948 N/A VAL 73.A N GLY 70.A O no hydrogen 3.241 N/A MET 75.A N LEU 71.A O no hydrogen 3.091 N/A THR 76.A N ILE 72.A O no hydrogen 2.795 N/A THR 76.A OG1 ILE 72.A O no hydrogen 3.012 N/A ARG 77.A N VAL 73.A O no hydrogen 3.094 N/A GLN 78.A N ILE 74.A O no hydrogen 2.914 N/A GLN 78.A NE2 LEU 20.A O no hydrogen 2.994 N/A LEU 79.A N MET 75.A O no hydrogen 2.909 N/A MET 80.A N THR 76.A O no hydrogen 2.941 N/A LYS 81.A N ARG 77.A O no hydrogen 3.004 N/A GLN 82.A N GLN 78.A O no hydrogen 2.852 N/A GLN 82.A NE2 PHE 25.A O no hydrogen 3.665 N/A THR 83.A N LEU 79.A O no hydrogen 2.898 N/A THR 83.A OG1 LEU 79.A O no hydrogen 2.782 N/A ALA 84.A N MET 80.A O no hydrogen 3.115 N/A ASP 85.A N LYS 81.A O no hydrogen 2.994 N/A ILE 86.A N GLN 82.A O no hydrogen 2.918 N/A LEU 87.A N THR 83.A O no hydrogen 3.064 N/A MET 88.A N ALA 84.A O no hydrogen 2.862 N/A VAL 90.A N LEU 87.A O no hydrogen 2.985 N/A LYS 91.A N MET 88.A O no hydrogen 3.234 N/A LYS 91.A NZ LYS 124.A O no hydrogen 3.117 N/A LEU 93.A N VAL 90.A O no hydrogen 2.810 N/A LEU 94.A N LYS 91.A O no hydrogen 3.221 N/A ASN 97.A N LYS 129.A O no hydrogen 2.703 N/A PHE 98.A N PRO 95.A O no hydrogen 3.164 N/A HIS 99.A N THR 41.A O no hydrogen 2.979 N/A HIS 99.A ND1 ASN 97.A O no hydrogen 2.701 N/A ILE 100.A N LYS 131.A O no hydrogen 2.853 N/A GLY 101.A N CYS 43.A O no hydrogen 2.910 N/A ILE 102.A N VAL 133.A O no hydrogen 2.926 N/A ASN 103.A ND2 GLU 44.A OE2 no hydrogen 3.034 N/A VAL 104.A N GLU 135.A O no hydrogen 2.931 N/A CYS 108.A N SER 105.A OG no hydrogen 3.365 N/A CYS 108.A SG ILE 72.A O no hydrogen 3.667 N/A CYS 108.A SG THR 76.A OG1 no hydrogen 3.314 N/A CYS 108.A SG SER 105.A OG no hydrogen 3.215 N/A PHE 109.A N SER 105.A O no hydrogen 2.993 N/A LEU 110.A N ALA 106.A O no hydrogen 3.075 N/A ALA 111.A N CYS 108.A O no hydrogen 3.198 N/A PHE 114.A N ALA 111.A O no hydrogen 3.264 N/A GLU 117.A N.A GLY 113.A O no hydrogen 3.012 N/A GLU 117.A N.A PHE 114.A O no hydrogen 3.011 N/A GLU 117.A N.B GLY 113.A O no hydrogen 2.997 N/A CYS 118.A N PHE 114.A O no hydrogen 3.055 N/A CYS 118.A SG PHE 114.A O no hydrogen 3.492 N/A LEU 119.A N GLU 115.A O no hydrogen 2.883 N/A ASN 120.A N LYS 116.A O no hydrogen 2.958 N/A LEU 121.A N GLU 117.A O.A no hydrogen 3.146 N/A LEU 121.A N GLU 117.A O.B no hydrogen 3.103 N/A VAL 122.A N CYS 118.A O no hydrogen 3.056 N/A ASN 123.A N LEU 119.A O no hydrogen 2.867 N/A LYS 124.A N ASN 120.A O no hydrogen 3.017 N/A LEU 125.A N LEU 121.A O no hydrogen 3.179 N/A LEU 125.A N VAL 122.A O no hydrogen 3.122 N/A GLY 126.A N VAL 122.A O no hydrogen 2.731 N/A LYS 129.A N GLY 126.A O no hydrogen 2.955 N/A LYS 129.A NZ LEU 94.A O no hydrogen 2.730 N/A LYS 129.A NZ ASP 96.A OD1 no hydrogen 2.847 N/A ILE 130.A N GLY 126.A O no hydrogen 3.042 N/A LYS 131.A N PHE 98.A O no hydrogen 2.896 N/A LYS 131.A NZ ASN 159.A O no hydrogen 2.996 N/A VAL 133.A N ILE 100.A O no hydrogen 2.822 N/A LEU 134.A N THR 161.A O no hydrogen 2.842 N/A GLU 135.A N ILE 102.A O no hydrogen 2.831 N/A LEU 136.A N ALA 163.A O no hydrogen 2.811 N/A GLU 138.A N ASP 165.A O no hydrogen 3.432 N/A ARG 139.A N THR 137.A OG1 no hydrogen 3.358 N/A ILE 142.A N TYR 176.A OH.A no hydrogen 2.737 N/A GLU 147.A N GLU 147.A OE1 no hydrogen 2.795 N/A ALA 148.A N THR 145.A OG1 no hydrogen 2.987 N/A ARG 149.A N THR 145.A O no hydrogen 2.983 N/A ALA 150.A N PRO 146.A O no hydrogen 2.866 N/A ILE 151.A N GLU 147.A O no hydrogen 3.161 N/A PHE 152.A N ALA 148.A O no hydrogen 3.055 N/A ASP 153.A N ARG 149.A O no hydrogen 2.824 N/A SER 154.A N ALA 150.A O no hydrogen 2.869 N/A SER 154.A OG GLU 115.A OE1 no hydrogen 2.649 N/A SER 154.A OG GLU 115.A OE2 no hydrogen 3.272 N/A LEU 155.A N ILE 151.A O no hydrogen 3.000 N/A HIS 156.A N PHE 152.A O no hydrogen 3.039 N/A HIS 156.A NE2 ASP 183.A OD2 no hydrogen 2.640 N/A GLN 157.A N ASP 153.A O no hydrogen 2.897 N/A HIS 158.A N LEU 155.A O no hydrogen 3.004 N/A ASN 159.A ND2 ASN 127.A OD1 no hydrogen 2.917 N/A ILE 160.A N LEU 155.A O no hydrogen 3.164 N/A THR 161.A N LEU 132.A O no hydrogen 2.995 N/A THR 161.A OG1 LEU 132.A O no hydrogen 2.973 N/A PHE 162.A N ASP 183.A OD2 no hydrogen 2.890 N/A ALA 163.A N LEU 134.A O no hydrogen 2.857 N/A LEU 164.A N PHE 184.A O no hydrogen 2.944 N/A ASP 165.A N LEU 136.A O no hydrogen 2.805 N/A ASP 166.A N LYS 186.A O no hydrogen 3.043 N/A PHE 167.A N GLU 138.A OE1 no hydrogen 2.984 N/A GLY 168.A N GLU 138.A OE1 no hydrogen 3.257 N/A THR 173.A OG1 GLU 138.A OE2 no hydrogen 2.471 N/A THR 173.A OG1 GLY 168.A O no hydrogen 3.421 N/A TYR 174.A N GLY 170.A O no hydrogen 3.273 N/A ARG 175.A N TYR 171.A O no hydrogen 2.970 N/A ARG 175.A NH1 GLN 178.A OE1 no hydrogen 3.377 N/A TYR 176.A N.A ALA 172.A O no hydrogen 2.915 N/A TYR 176.A N.C ALA 172.A O no hydrogen 2.921 N/A LEU 177.A N THR 173.A O no hydrogen 2.990 N/A GLN 178.A N TYR 174.A O no hydrogen 3.030 N/A ALA 179.A N ARG 175.A O no hydrogen 3.250 N/A PHE 180.A N TYR 176.A O.A no hydrogen 2.801 N/A PHE 180.A N TYR 176.A O.C no hydrogen 2.843 N/A ASP 183.A N PHE 162.A O no hydrogen 2.941 N/A PHE 184.A N PHE 162.A O no hydrogen 3.035 N/A ILE 185.A N SER 218.A O no hydrogen 2.991 N/A LYS 186.A N LEU 164.A O no hydrogen 2.839 N/A LYS 186.A NZ GLU 44.A OE1 no hydrogen 3.251 N/A LYS 186.A NZ GLU 135.A OE2 no hydrogen 2.774 N/A LYS 186.A NZ GLU 222.A OE1 no hydrogen 3.008 N/A ILE 187.A N VAL 220.A O no hydrogen 2.864 N/A LYS 189.A N GLU 222.A OE2 no hydrogen 3.046 N/A SER 190.A N ASP 188.A OD2 no hydrogen 3.098 N/A SER 190.A OG ASP 188.A OD2 no hydrogen 2.712 N/A PHE 191.A N ASP 188.A O no hydrogen 2.950 N/A VAL 192.A N ASP 188.A O no hydrogen 3.188 N/A GLN 193.A N LYS 189.A O no hydrogen 3.054 N/A GLN 193.A NE2 GLY 223.A O no hydrogen 2.975 N/A MET 194.A N PHE 191.A O no hydrogen 3.140 N/A ALA 195.A N PHE 191.A O no hydrogen 2.919 N/A VAL 197.A N MET 194.A O no hydrogen 2.656 N/A ASP 198.A N MET 194.A O no hydrogen 2.768 N/A ILE 200.A N ASP 198.A OD1 no hydrogen 2.903 N/A SER 201.A OG ASP 198.A OD2 no hydrogen 3.067 N/A GLY 202.A N ASP 198.A O no hydrogen 3.095 N/A HIS 203.A N GLU 199.A O no hydrogen 3.125 N/A HIS 203.A NE2 GLU 199.A OE2 no hydrogen 3.122 N/A ILE 204.A N ILE 200.A O no hydrogen 2.945 N/A VAL 205.A N SER 201.A O no hydrogen 2.912 N/A ASP 206.A N GLY 202.A O no hydrogen 3.020 N/A ASN 207.A N HIS 203.A O no hydrogen 2.907 N/A ILE 208.A N ILE 204.A O no hydrogen 2.905 N/A VAL 209.A N VAL 205.A O no hydrogen 2.906 N/A GLU 210.A N ASP 206.A O no hydrogen 3.077 N/A LEU 211.A N ASN 207.A O no hydrogen 3.245 N/A ALA 212.A N VAL 209.A O no hydrogen 2.836 N/A ARG 213.A N GLU 210.A O no hydrogen 3.024 N/A ARG 213.A NH1 GLY 237.A O no hydrogen 2.979 N/A ARG 213.A NH2 LYS 236.A O no hydrogen 2.711 N/A LYS 214.A N ALA 212.A O no hydrogen 2.891 N/A LEU 217.A N LYS 214.A O no hydrogen 3.214 N/A SER 218.A N ASP 183.A O no hydrogen 3.431 N/A ILE 219.A N HIS 239.A ND1 no hydrogen 3.048 N/A VAL 220.A N ILE 185.A O no hydrogen 2.943 N/A ALA 221.A N PHE 240.A O no hydrogen 2.940 N/A GLU 222.A N ILE 187.A O no hydrogen 3.328 N/A VAL 224.A N GLN 242.A O no hydrogen 2.972 N/A GLU 225.A N GLN 229.A OE1 no hydrogen 2.761 N/A THR 226.A N GLN 229.A OE1 no hydrogen 3.344 N/A GLN 229.A N THR 226.A OG1 no hydrogen 3.092 N/A ALA 230.A N THR 226.A O no hydrogen 3.061 N/A ASP 231.A N GLN 227.A O no hydrogen 2.868 N/A LEU 232.A N GLU 228.A O.A no hydrogen 2.980 N/A LEU 232.A N GLU 228.A O.B no hydrogen 2.979 N/A MET 233.A N GLN 229.A O no hydrogen 3.003 N/A ILE 234.A N ALA 230.A O no hydrogen 3.029 N/A GLY 235.A N ASP 231.A O no hydrogen 3.149 N/A LYS 236.A N LEU 232.A O no hydrogen 3.251 N/A LYS 236.A N MET 233.A O no hydrogen 3.003 N/A LYS 236.A NZ ASP 206.A OD1 no hydrogen 2.713 N/A GLY 237.A N ILE 234.A O no hydrogen 2.926 N/A VAL 238.A N MET 233.A O no hydrogen 3.216 N/A HIS 239.A N ILE 219.A O no hydrogen 3.049 N/A PHE 240.A N ILE 219.A O no hydrogen 3.034 N/A LEU 241.A N PHE 33.A O no hydrogen 2.922 N/A GLN 242.A N ALA 221.A O no hydrogen 3.023 N/A GLN 242.A NE2 GLN 30.A OE1 no hydrogen 2.834 N/A GLN 242.A NE2 GLU 44.A OE1 no hydrogen 2.764 N/A LEU 245.A N VAL 224.A O no hydrogen 2.911 N/A TYR 246.A N GLY 243.A O no hydrogen 2.945 N/A SER 247.A N GLY 243.A O no hydrogen 2.894 N/A SER 247.A OG PRO 248.A O no hydrogen 2.636 N/A VAL 250.A N ILE 29.A O no hydrogen 2.979 N/A PHE 255.A N PRO 251.A O no hydrogen 2.886 N/A ILE 256.A N GLY 252.A O no hydrogen 3.043 N/A SER 257.A N ASN 253.A O no hydrogen 2.939 N/A GLU 258.A N LYS 254.A O no hydrogen 2.830 N/A TRP 259.A N PHE 255.A O no hydrogen 2.871 N/A VAL 260.A N ILE 256.A O no hydrogen 3.091 N/A MET 261.A N ILE 256.A O no hydrogen 2.968 N/A