Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3koi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 2.A N ASN 7.A O no hydrogen 2.858 N/A LYS 5.A NZ HIS 6.A NE2 no hydrogen 3.071 N/A HIS 11.A N GLY 8.A O no hydrogen 2.836 N/A TRP 12.A N PRO 9.A O no hydrogen 3.414 N/A TRP 12.A NE1 ASN 7.A O no hydrogen 3.240 N/A LYS 14.A N HIS 11.A O no hydrogen 3.108 N/A LYS 14.A NZ HIS 11.A ND1 no hydrogen 2.906 N/A PHE 16.A N TRP 12.A O no hydrogen 2.844 N/A ALA 19.A N PHE 16.A O no hydrogen 3.058 N/A LYS 20.A N PRO 17.A O no hydrogen 3.218 N/A GLY 21.A N ILE 18.A O no hydrogen 2.804 N/A ARG 23.A N GLU 200.A OE2 no hydrogen 3.062 N/A ARG 23.A NE GLY 191.A O no hydrogen 2.864 N/A ARG 23.A NH1 PRO 133.A O no hydrogen 3.280 N/A ARG 23.A NH2 PRO 133.A O no hydrogen 3.049 N/A ARG 23.A NH2 GLY 191.A O no hydrogen 3.075 N/A ARG 23.A NH2 VAL 202.A O no hydrogen 2.954 N/A GLN 24.A NE2 LEU 198.A O no hydrogen 3.286 N/A GLN 24.A NE2 GLU 200.A OE2 no hydrogen 3.045 N/A SER 25.A N SER 192.A OG no hydrogen 3.014 N/A SER 25.A OG TYR 189.A OH no hydrogen 2.899 N/A ILE 29.A N THR 104.A O no hydrogen 2.749 N/A THR 31.A N ASP 106.A OD1 no hydrogen 2.746 N/A THR 31.A OG1 ASP 106.A OD2 no hydrogen 2.752 N/A THR 33.A N ASP 30.A O no hydrogen 3.086 N/A THR 33.A OG1 ASP 30.A OD1 no hydrogen 2.391 N/A ALA 34.A N ASP 30.A O no hydrogen 3.159 N/A LYS 35.A N ILE 251.A O no hydrogen 3.296 N/A ASP 37.A N ALA 253.A O no hydrogen 2.885 N/A SER 39.A N ASP 37.A OD1 no hydrogen 3.293 N/A SER 39.A OG ASP 37.A OD1 no hydrogen 3.043 N/A SER 44.A N LYS 76.A O no hydrogen 3.016 N/A SER 46.A N VAL 74.A O no hydrogen 2.970 N/A TYR 47.A OH HIS 118.A NE2 no hydrogen 2.750 N/A ALA 50.A N TYR 47.A O no hydrogen 3.266 N/A SER 52.A OG PHE 171.A O no hydrogen 2.427 N/A LEU 53.A N GLU 65.A O no hydrogen 2.873 N/A ARG 54.A NE GLU 65.A OE1 no hydrogen 2.874 N/A ARG 54.A NH2 GLU 65.A OE1 no hydrogen 3.247 N/A ARG 54.A NH2 GLU 65.A OE2 no hydrogen 2.595 N/A ILE 55.A N ALA 169.A O no hydrogen 2.996 N/A LEU 56.A N ASN 63.A O no hydrogen 2.924 N/A ASN 57.A N LYS 167.A O no hydrogen 3.069 N/A ASN 57.A ND2 ILE 162.A O no hydrogen 3.098 N/A ASN 57.A ND2 ASN 225.A O no hydrogen 3.246 N/A ASN 58.A N ALA 61.A O no hydrogen 3.073 N/A GLY 59.A N ASN 57.A OD1 no hydrogen 3.004 N/A HIS 60.A N.A ASN 58.A OD1 no hydrogen 2.746 N/A HIS 60.A N.B ASN 58.A OD1 no hydrogen 2.804 N/A HIS 60.A ND1.A ASN 58.A OD1 no hydrogen 2.920 N/A ALA 61.A N ASN 58.A OD1 no hydrogen 2.905 N/A ASN 63.A N LEU 56.A O no hydrogen 2.843 N/A VAL 64.A N PHE 89.A O no hydrogen 2.812 N/A GLU 65.A N ARG 54.A O no hydrogen 2.857 N/A PHE 66.A N ILE 87.A O no hydrogen 2.955 N/A ASP 67.A N THR 51.A O no hydrogen 2.889 N/A SER 69.A N ASP 67.A OD1 no hydrogen 2.968 N/A SER 69.A OG ASP 67.A OD1 no hydrogen 2.711 N/A SER 69.A OG ASP 67.A OD2 no hydrogen 3.545 N/A LYS 72.A NZ ASP 67.A OD2 no hydrogen 2.500 N/A VAL 74.A N SER 46.A O no hydrogen 2.882 N/A LEU 75.A N TYR 84.A O no hydrogen 2.787 N/A LYS 76.A N SER 44.A O no hydrogen 3.015 N/A GLY 78.A N PRO 42.A O no hydrogen 3.286 N/A LEU 80.A N GLY 77.A O no hydrogen 2.687 N/A TYR 84.A N LEU 75.A O no hydrogen 3.110 N/A TYR 84.A OH ASP 134.A O no hydrogen 2.936 N/A ARG 85.A N TRP 119.A O no hydrogen 3.057 N/A ARG 85.A NE ASP 71.A OD1 no hydrogen 2.651 N/A ARG 85.A NH1 ASP 68.A O no hydrogen 2.750 N/A LEU 86.A N ALA 73.A O no hydrogen 3.029 N/A ILE 87.A N VAL 117.A O no hydrogen 3.015 N/A PHE 89.A N VAL 64.A O no hydrogen 3.013 N/A HIS 90.A N HIS 115.A O no hydrogen 2.978 N/A HIS 90.A ND1 GLN 88.A OE1 no hydrogen 2.881 N/A HIS 92.A N GLU 113.A O no hydrogen 3.074 N/A HIS 92.A ND1 ASN 239.A O no hydrogen 2.693 N/A TRP 93.A N ASN 239.A OD1 no hydrogen 2.859 N/A TRP 93.A NE1 MET 236.A O no hydrogen 2.990 N/A SER 95.A N ASP 238.A OD1 no hydrogen 2.807 N/A SER 95.A OG ASP 238.A OD2 no hydrogen 2.811 N/A GLN 99.A N LEU 96.A O no hydrogen 3.218 N/A GLN 99.A NE2 ASP 238.A OD1 no hydrogen 2.850 N/A SER 101.A N TYR 110.A O no hydrogen 2.902 N/A SER 101.A OG HIS 103.A O no hydrogen 2.851 N/A GLU 102.A N GLU 113.A OE1 no hydrogen 2.884 N/A HIS 103.A N GLU 113.A OE1 no hydrogen 2.682 N/A HIS 103.A ND1 GLU 113.A OE2 no hydrogen 2.641 N/A HIS 103.A NE2 TYR 189.A OH no hydrogen 2.615 N/A THR 104.A N VAL 27.A O no hydrogen 3.404 N/A THR 104.A OG1 ASP 28.A OD1 no hydrogen 3.073 N/A VAL 105.A N LYS 108.A O no hydrogen 3.192 N/A ASP 106.A N ILE 29.A O no hydrogen 2.976 N/A LYS 107.A N ASP 28.A OD1 no hydrogen 2.942 N/A LYS 108.A N VAL 105.A O no hydrogen 3.070 N/A TYR 110.A N SER 101.A OG no hydrogen 3.074 N/A ALA 112.A N LEU 143.A O no hydrogen 3.365 N/A GLU 113.A N HIS 92.A O no hydrogen 2.960 N/A LEU 114.A N ILE 141.A O no hydrogen 2.698 N/A HIS 115.A N HIS 90.A O no hydrogen 2.931 N/A HIS 115.A NE2 GLU 113.A OE2 no hydrogen 2.792 N/A LEU 116.A N LEU 139.A O no hydrogen 2.946 N/A VAL 117.A N GLN 88.A O no hydrogen 3.056 N/A HIS 118.A N ALA 137.A O no hydrogen 2.933 N/A HIS 118.A ND1 ALA 137.A O no hydrogen 2.938 N/A HIS 118.A NE2 TYR 47.A OH no hydrogen 2.750 N/A TRP 119.A N ARG 85.A O no hydrogen 2.875 N/A TRP 119.A NE1 ASP 68.A OD2 no hydrogen 2.608 N/A ASN 120.A N GLY 135.A O no hydrogen 2.759 N/A ASN 120.A ND2 ASP 134.A O no hydrogen 3.318 N/A THR 121.A N THR 83.A O no hydrogen 2.862 N/A THR 121.A OG1 THR 83.A O no hydrogen 3.360 N/A LYS 122.A N ASN 120.A OD1 no hydrogen 3.217 N/A TYR 123.A N ASN 120.A O no hydrogen 3.066 N/A TYR 123.A OH ASP 134.A OD1 no hydrogen 2.614 N/A GLY 124.A N THR 121.A O no hydrogen 3.128 N/A ASP 125.A N TYR 123.A O no hydrogen 2.980 N/A LYS 128.A N ASP 125.A OD1 no hydrogen 2.997 N/A ALA 129.A N ASP 125.A O no hydrogen 2.998 N/A VAL 130.A N PHE 126.A O no hydrogen 3.069 N/A GLN 131.A N LYS 128.A O no hydrogen 2.982 N/A GLN 131.A NE2 GLY 127.A O no hydrogen 3.009 N/A GLN 132.A N ALA 129.A O no hydrogen 2.814 N/A GLY 135.A N GLN 132.A O no hydrogen 2.986 N/A LEU 136.A N CYS 201.A O no hydrogen 2.720 N/A ALA 137.A N HIS 118.A O no hydrogen 2.971 N/A VAL 138.A N THR 203.A O no hydrogen 3.186 N/A LEU 139.A N LEU 116.A O no hydrogen 2.869 N/A GLY 140.A N ILE 205.A O no hydrogen 2.972 N/A ILE 141.A N LEU 114.A O no hydrogen 3.011 N/A LEU 143.A N ALA 112.A O no hydrogen 2.872 N/A LYS 144.A N ILE 211.A O no hydrogen 2.878 N/A GLY 146.A N VAL 213.A O no hydrogen 2.958 N/A LYS 149.A N GLN 217.A OE1 no hydrogen 2.884 N/A LEU 152.A N LYS 149.A O no hydrogen 2.887 N/A GLN 153.A N PRO 150.A O no hydrogen 3.273 N/A GLN 153.A NE2 ASP 157.A OD2 no hydrogen 3.175 N/A VAL 156.A N LEU 152.A O no hydrogen 3.130 N/A ASP 157.A N GLN 153.A O no hydrogen 2.911 N/A VAL 158.A N VAL 155.A O no hydrogen 3.153 N/A LEU 159.A N VAL 156.A O no hydrogen 3.438 N/A SER 161.A N VAL 158.A O no hydrogen 2.930 N/A SER 161.A OG VAL 158.A O no hydrogen 2.802 N/A ILE 162.A N LEU 159.A O no hydrogen 3.046 N/A LYS 165.A N ASN 227.A O no hydrogen 2.783 N/A GLY 166.A N ASN 57.A O no hydrogen 2.899 N/A LYS 167.A N THR 164.A O no hydrogen 3.061 N/A ALA 169.A N ILE 55.A O no hydrogen 3.096 N/A PHE 171.A N LEU 53.A O no hydrogen 3.092 N/A THR 172.A OG1 ASN 173.A OD1 no hydrogen 2.957 N/A PHE 174.A N SER 52.A OG no hydrogen 2.932 N/A ARG 177.A N ASP 175.A OD1 no hydrogen 3.084 N/A ARG 177.A NE ASP 175.A OD1 no hydrogen 3.161 N/A ARG 177.A NE ASP 175.A OD2 no hydrogen 3.370 N/A ARG 177.A NH2 ASP 175.A OD2 no hydrogen 3.100 N/A GLY 178.A N ASP 175.A O no hydrogen 3.303 N/A LEU 179.A N PRO 176.A O no hydrogen 3.178 N/A LEU 180.A N ARG 177.A O no hydrogen 3.257 N/A SER 183.A N GLU 209.A OE1 no hydrogen 2.492 N/A ASP 185.A N SER 183.A OG no hydrogen 3.171 N/A TYR 186.A N SER 254.A OG no hydrogen 2.993 N/A TYR 186.A OH LYS 41.A O no hydrogen 3.356 N/A TRP 187.A N VAL 206.A O no hydrogen 2.942 N/A THR 188.A N LYS 252.A O no hydrogen 2.942 N/A THR 188.A OG1 TRP 204.A O no hydrogen 2.700 N/A TYR 189.A N TRP 204.A O no hydrogen 3.343 N/A TYR 189.A OH SER 25.A OG no hydrogen 2.899 N/A TYR 189.A OH HIS 103.A NE2 no hydrogen 2.615 N/A GLY 191.A N VAL 202.A O no hydrogen 2.819 N/A SER 192.A N SER 25.A OG no hydrogen 3.022 N/A SER 192.A OG LEU 193.A O no hydrogen 2.879 N/A LEU 193.A N LEU 199.A O no hydrogen 2.992 N/A THR 194.A OG1 GLU 102.A OE1 no hydrogen 2.638 N/A THR 194.A OG1 GLU 102.A OE2 no hydrogen 3.230 N/A LEU 198.A N THR 195.A O no hydrogen 2.732 N/A CYS 201.A SG LEU 199.A O no hydrogen 3.708 N/A VAL 202.A N GLY 191.A O no hydrogen 3.201 N/A THR 203.A N LEU 136.A O no hydrogen 2.673 N/A TRP 204.A N TYR 189.A O no hydrogen 2.900 N/A TRP 204.A NE1 SER 192.A O no hydrogen 3.009 N/A ILE 205.A N VAL 138.A O no hydrogen 3.071 N/A VAL 206.A N TRP 187.A O no hydrogen 2.886 N/A LEU 207.A N GLY 140.A O no hydrogen 2.914 N/A LYS 208.A N ASP 185.A O no hydrogen 3.007 N/A LYS 208.A NZ ASP 185.A OD2 no hydrogen 3.423 N/A ILE 211.A N PHE 142.A O no hydrogen 2.849 N/A VAL 213.A N LYS 144.A O no hydrogen 2.933 N/A SER 214.A N GLN 217.A OE1 no hydrogen 3.025 N/A SER 214.A OG GLU 216.A OE1 no hydrogen 3.146 N/A SER 215.A OG GLU 216.A OE1 no hydrogen 3.257 N/A GLU 216.A N GLU 216.A OE1 no hydrogen 2.497 N/A GLN 217.A N SER 214.A OG no hydrogen 2.953 N/A GLN 217.A NE2 LYS 149.A O no hydrogen 3.156 N/A GLN 217.A NE2 GLN 153.A OE1 no hydrogen 2.872 N/A VAL 218.A N SER 214.A O no hydrogen 3.070 N/A LEU 219.A N SER 215.A O no hydrogen 2.961 N/A LYS 220.A N GLU 216.A O no hydrogen 3.192 N/A LYS 220.A N GLN 217.A O no hydrogen 3.268 N/A ARG 222.A N VAL 218.A O no hydrogen 3.339 N/A ARG 222.A NE GLY 94.A O no hydrogen 2.815 N/A ARG 222.A NH1 ASP 97.A OD1 no hydrogen 3.376 N/A ARG 222.A NH2 ASP 97.A OD1 no hydrogen 2.980 N/A LYS 223.A N LYS 220.A O no hydrogen 3.147 N/A LEU 224.A N PHE 221.A O no hydrogen 3.285 N/A ASN 225.A N LYS 163.A O no hydrogen 2.756 N/A ASN 225.A ND2 LEU 224.A O no hydrogen 3.104 N/A ASN 225.A ND2 GLU 233.A OE2 no hydrogen 3.190 N/A PHE 226.A N GLU 234.A O no hydrogen 3.060 N/A ASN 227.A ND2 ASN 225.A OD1 no hydrogen 3.551 N/A ASN 227.A ND2 GLY 228.A O no hydrogen 3.069 N/A GLY 228.A N GLU 231.A OE2 no hydrogen 2.890 N/A GLU 231.A N GLY 228.A O no hydrogen 3.062 N/A GLU 234.A N ASN 227.A OD1 no hydrogen 2.736 N/A MET 236.A N LEU 224.A O no hydrogen 3.013 N/A ASN 239.A ND2 HIS 60.A O.A no hydrogen 2.988 N/A ASN 239.A ND2 HIS 60.A O.B no hydrogen 2.904 N/A TRP 240.A NE1 ASP 238.A OD1 no hydrogen 3.019 N/A ARG 241.A N GLU 102.A OE2 no hydrogen 2.879 N/A ARG 241.A NH1 GLN 24.A OE1 no hydrogen 2.699 N/A ARG 241.A NH1 SER 25.A O no hydrogen 2.764 N/A ARG 241.A NH2 ALA 19.A O no hydrogen 3.392 N/A ARG 241.A NH2 GLN 24.A OE1 no hydrogen 3.265 N/A GLN 244.A N PRO 26.A O no hydrogen 2.807 N/A GLN 244.A NE2 PRO 242.A O no hydrogen 2.866 N/A LYS 247.A NZ LYS 20.A O no hydrogen 3.234 N/A LYS 247.A NZ GLY 21.A O no hydrogen 3.134 N/A LYS 247.A NZ GLU 22.A OE2 no hydrogen 3.351 N/A ARG 249.A NE LEU 246.A O no hydrogen 2.769 N/A ARG 249.A NH1 GLN 24.A O no hydrogen 2.923 N/A ARG 249.A NH1 PRO 190.A O no hydrogen 3.044 N/A ARG 249.A NH2 GLN 24.A O no hydrogen 2.750 N/A ARG 249.A NH2 PRO 245.A O no hydrogen 2.847 N/A LYS 252.A N THR 188.A O no hydrogen 2.899 N/A ALA 253.A N LYS 35.A O no hydrogen 2.942 N/A SER 254.A N TYR 186.A O no hydrogen 3.028 N/A SER 254.A OG TYR 186.A O no hydrogen 3.498 N/A