Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1khd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 GLU 7.A OE1 no hydrogen 2.980 N/A LEU 6.A N HIS 2.A O no hydrogen 2.902 N/A GLU 7.A N GLN 3.A O no hydrogen 2.685 N/A LYS 8.A N PRO 4.A O no hydrogen 3.126 N/A LYS 8.A NZ GLU 19.A OE1 no hydrogen 3.221 N/A LYS 8.A NZ GLU 19.A OE2 no hydrogen 2.572 N/A LEU 9.A N ILE 5.A O no hydrogen 3.051 N/A PHE 10.A N LEU 6.A O no hydrogen 2.864 N/A LYS 11.A N GLU 7.A O no hydrogen 3.174 N/A LYS 11.A N LYS 8.A O no hydrogen 3.130 N/A SER 12.A N LEU 9.A O no hydrogen 2.864 N/A GLN 13.A N LYS 8.A O no hydrogen 3.216 N/A MET 15.A N GLU 53.A OE2 no hydrogen 2.919 N/A THR 16.A N GLU 19.A OE2 no hydrogen 3.001 N/A GLU 19.A N THR 16.A OG1 no hydrogen 2.930 N/A SER 20.A N THR 16.A O no hydrogen 2.939 N/A SER 20.A OG GLU 53.A O no hydrogen 2.712 N/A HIS 21.A N GLN 17.A O no hydrogen 2.873 N/A GLN 22.A N GLU 18.A O no hydrogen 2.985 N/A GLN 22.A NE2 HIS 2.A ND1 no hydrogen 2.787 N/A LEU 23.A N GLU 19.A O no hydrogen 2.955 N/A PHE 24.A N SER 20.A O no hydrogen 2.908 N/A ALA 25.A N HIS 21.A O no hydrogen 2.911 N/A ALA 26.A N GLN 22.A O no hydrogen 3.345 N/A ILE 27.A N LEU 23.A O no hydrogen 3.120 N/A VAL 28.A N PHE 24.A O no hydrogen 2.926 N/A ARG 29.A N ALA 26.A O no hydrogen 3.257 N/A ARG 29.A NE ASP 64.A OD2 no hydrogen 3.207 N/A ARG 29.A NH2 ASP 64.A OD1 no hydrogen 3.225 N/A GLY 30.A N ILE 27.A O no hydrogen 2.932 N/A GLU 31.A N ALA 26.A O no hydrogen 3.051 N/A GLU 33.A N GLN 36.A OE1 no hydrogen 2.824 N/A LEU 37.A N GLU 33.A O no hydrogen 2.946 N/A ALA 38.A N ASP 34.A O no hydrogen 2.869 N/A ALA 39.A N SER 35.A O no hydrogen 2.923 N/A ALA 40.A N GLN 36.A O no hydrogen 2.982 N/A LEU 41.A N LEU 37.A O no hydrogen 2.987 N/A ILE 42.A N ALA 38.A O no hydrogen 2.947 N/A SER 43.A N ALA 39.A O no hydrogen 3.036 N/A SER 43.A OG ALA 39.A O no hydrogen 2.916 N/A SER 43.A OG ALA 40.A O no hydrogen 2.932 N/A MET 44.A N ALA 40.A O no hydrogen 3.126 N/A LYS 45.A N LEU 41.A O no hydrogen 2.919 N/A LYS 45.A NZ THR 163.A OG1 no hydrogen 3.255 N/A LYS 45.A NZ ARG 164.A O no hydrogen 2.776 N/A MET 46.A N ILE 42.A O no hydrogen 2.967 N/A ARG 47.A N SER 43.A O no hydrogen 3.357 N/A ARG 47.A NH1 GLU 53.A OE1 no hydrogen 2.921 N/A ARG 47.A NH2 GLU 53.A OE1 no hydrogen 3.406 N/A ARG 47.A NH2 GLU 53.A OE2 no hydrogen 2.656 N/A GLY 48.A N MET 44.A O no hydrogen 2.869 N/A GLU 49.A N GLU 49.A OE2 no hydrogen 2.661 N/A ARG 50.A N GLU 53.A OE1 no hydrogen 2.869 N/A GLU 52.A N GLU 52.A OE2 no hydrogen 2.794 N/A ILE 54.A N ARG 50.A O no hydrogen 2.963 N/A ALA 55.A N PRO 51.A O no hydrogen 2.881 N/A GLY 56.A N GLU 52.A O no hydrogen 3.008 N/A ALA 57.A N GLU 53.A O no hydrogen 2.995 N/A ALA 58.A N ILE 54.A O no hydrogen 2.975 N/A SER 59.A N ALA 55.A O no hydrogen 2.860 N/A SER 59.A OG ALA 55.A O no hydrogen 2.655 N/A ALA 60.A N GLY 56.A O no hydrogen 3.115 N/A LEU 61.A N ALA 57.A O no hydrogen 3.227 N/A LEU 62.A N ALA 58.A O no hydrogen 2.908 N/A ALA 63.A N SER 59.A O no hydrogen 2.937 N/A ASP 64.A N LEU 61.A O no hydrogen 3.200 N/A ALA 65.A N LEU 62.A O no hydrogen 3.238 N/A GLN 66.A N TYR 147.A O no hydrogen 2.797 N/A ARG 70.A NE ARG 178.A O no hydrogen 2.780 N/A ARG 70.A NH2 ARG 178.A O no hydrogen 3.430 N/A TYR 73.A OH ASP 135.A OD2 no hydrogen 2.570 N/A ALA 76.A N LYS 105.A O no hydrogen 2.843 N/A ASP 77.A N LYS 181.A O no hydrogen 3.137 N/A ILE 78.A N ASP 77.A OD1 no hydrogen 2.716 N/A VAL 79.A N LEU 183.A O no hydrogen 3.127 N/A THR 81.A N GLY 185.A O no hydrogen 2.962 N/A THR 81.A OG1 GLY 82.A O no hydrogen 2.868 N/A GLY 82.A N ASP 216.A OD1 no hydrogen 2.603 N/A THR 86.A N ASP 84.A OD2 no hydrogen 3.169 N/A THR 86.A OG1 ASP 84.A OD2 no hydrogen 2.447 N/A ASN 87.A ND2 GLY 257.A O no hydrogen 3.051 N/A SER 88.A OG LEU 254.A O no hydrogen 3.315 N/A ILE 89.A N LEU 254.A O no hydrogen 2.857 N/A SER 95.A N ILE 91.A O no hydrogen 3.112 N/A SER 95.A OG ILE 91.A O no hydrogen 2.877 N/A ALA 96.A N SER 92.A O no hydrogen 2.946 N/A PHE 97.A N THR 93.A O no hydrogen 3.260 N/A VAL 98.A N ALA 94.A O no hydrogen 3.014 N/A ALA 99.A N SER 95.A O no hydrogen 2.852 N/A ALA 100.A N ALA 96.A O no hydrogen 2.945 N/A SER 101.A N PHE 97.A O no hydrogen 3.126 N/A SER 101.A OG PHE 97.A O no hydrogen 2.993 N/A CYS 102.A N ALA 99.A O no hydrogen 2.931 N/A CYS 102.A SG VAL 98.A O no hydrogen 3.337 N/A CYS 102.A SG THR 308.A OG1 no hydrogen 3.647 N/A GLY 103.A N ALA 100.A O no hydrogen 2.985 N/A ALA 104.A N ALA 99.A O no hydrogen 3.144 N/A LYS 105.A NZ LEU 134.A O no hydrogen 2.905 N/A LYS 105.A NZ ASN 138.A OD1 no hydrogen 2.920 N/A VAL 106.A N ASN 138.A O no hydrogen 2.853 N/A ALA 107.A N ALA 76.A O no hydrogen 2.785 N/A LYS 108.A N CYS 140.A O no hydrogen 3.113 N/A LYS 108.A NZ ILE 78.A O no hydrogen 2.954 N/A LYS 108.A NZ SER 92.A OG no hydrogen 2.818 N/A HIS 109.A N ASP 77.A OD1 no hydrogen 3.187 N/A HIS 109.A ND1 LEU 142.A O no hydrogen 3.059 N/A GLY 110.A N LEU 142.A O no hydrogen 3.137 N/A CYS 113.A SG ASN 111.A O no hydrogen 3.879 N/A GLN 117.A N CYS 113.A O no hydrogen 3.030 N/A ALA 118.A N ASP 114.A O no hydrogen 3.072 N/A PHE 119.A N LEU 116.A O no hydrogen 2.998 N/A GLY 120.A N GLN 117.A O no hydrogen 2.751 N/A ILE 121.A N LEU 116.A O no hydrogen 3.101 N/A ASP 129.A N SER 126.A OG no hydrogen 2.971 N/A SER 130.A N SER 126.A O no hydrogen 2.943 N/A SER 130.A OG SER 126.A O no hydrogen 3.523 N/A ARG 131.A N ALA 127.A O no hydrogen 2.920 N/A ARG 131.A NE ASP 135.A OD2 no hydrogen 2.934 N/A ARG 131.A NH1 PRO 69.A O no hydrogen 2.854 N/A GLN 132.A N GLU 128.A O no hydrogen 3.000 N/A ALA 133.A N ASP 129.A O no hydrogen 2.997 N/A LEU 134.A N SER 130.A O no hydrogen 2.860 N/A ASP 135.A N ARG 131.A O no hydrogen 2.905 N/A ASP 136.A N GLN 132.A O no hydrogen 2.904 N/A LEU 137.A N ALA 133.A O no hydrogen 2.702 N/A ASN 138.A N LEU 134.A O no hydrogen 3.085 N/A ASN 138.A ND2 ALA 100.A O no hydrogen 3.006 N/A CYS 140.A N VAL 106.A O no hydrogen 3.150 N/A LEU 142.A N LYS 108.A O no hydrogen 2.766 N/A ALA 144.A N GLY 110.A O no hydrogen 2.912 N/A GLN 146.A N PHE 143.A O no hydrogen 2.818 N/A TYR 147.A N ALA 144.A O no hydrogen 2.941 N/A HIS 148.A N ALA 144.A O no hydrogen 2.792 N/A PHE 151.A N HIS 148.A O no hydrogen 3.173 N/A HIS 153.A N GLY 150.A O no hydrogen 3.222 N/A HIS 153.A ND1 VAL 28.A O no hydrogen 3.272 N/A MET 155.A N ARG 152.A O no hydrogen 2.993 N/A ARG 158.A N ALA 154.A O no hydrogen 2.971 N/A GLN 159.A N MET 155.A O no hydrogen 2.891 N/A GLN 160.A N PRO 156.A O no hydrogen 2.968 N/A LEU 161.A N VAL 157.A O no hydrogen 2.990 N/A LYS 162.A N ARG 158.A O no hydrogen 3.217 N/A LYS 162.A NZ GLN 159.A O no hydrogen 3.067 N/A ARG 164.A NH1 GLY 83.A O no hydrogen 3.172 N/A PHE 167.A N THR 165.A OG1 no hydrogen 3.287 N/A ASN 168.A N THR 165.A O no hydrogen 3.019 N/A ASN 168.A ND2 THR 165.A O no hydrogen 3.233 N/A VAL 169.A N ILE 166.A O no hydrogen 3.090 N/A LEU 173.A N LEU 170.A O no hydrogen 2.972 N/A ILE 174.A N GLY 171.A O no hydrogen 3.390 N/A ARG 178.A N ASN 175.A O no hydrogen 2.961 N/A LYS 181.A NZ LEU 292.A O no hydrogen 2.957 N/A ALA 182.A N ASN 206.A O no hydrogen 3.294 N/A LEU 183.A N ASP 77.A O no hydrogen 3.045 N/A ILE 184.A N ALA 208.A O no hydrogen 2.898 N/A GLY 185.A N VAL 79.A O no hydrogen 2.864 N/A VAL 186.A N VAL 210.A O no hydrogen 2.905 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.995 N/A LEU 191.A N SER 188.A O no hydrogen 3.297 N/A VAL 192.A N PRO 189.A O no hydrogen 3.293 N/A ILE 195.A N LEU 191.A O no hydrogen 3.057 N/A ALA 196.A N VAL 192.A O no hydrogen 3.133 N/A GLN 197.A N LEU 193.A O no hydrogen 2.866 N/A ALA 198.A N PRO 194.A O no hydrogen 2.892 N/A LEU 199.A N ILE 195.A O no hydrogen 2.898 N/A LYS 200.A N ALA 196.A O no hydrogen 3.155 N/A LYS 200.A NZ GLY 232.A O no hydrogen 3.157 N/A VAL 201.A N GLN 197.A O no hydrogen 3.253 N/A LEU 202.A N ALA 198.A O no hydrogen 2.897 N/A GLY 203.A N LYS 200.A O no hydrogen 3.001 N/A TYR 204.A N LEU 199.A O no hydrogen 3.064 N/A LYS 205.A N PRO 180.A O no hydrogen 2.828 N/A ASN 206.A N PRO 180.A O no hydrogen 3.214 N/A ALA 207.A N LEU 229.A O no hydrogen 3.115 N/A ALA 208.A N ALA 182.A O no hydrogen 2.984 N/A VAL 209.A N ALA 227.A O no hydrogen 2.948 N/A VAL 210.A N ILE 184.A O no hydrogen 2.845 N/A HIS 211.A N GLN 225.A O no hydrogen 3.131 N/A HIS 211.A ND1 VAL 186.A O no hydrogen 2.873 N/A GLY 212.A N MET 215.A O no hydrogen 2.926 N/A GLY 214.A N HIS 211.A NE2 no hydrogen 3.224 N/A MET 215.A N GLY 212.A O no hydrogen 2.894 N/A ALA 219.A N THR 224.A OG1 no hydrogen 2.868 N/A HIS 221.A NE2 GLY 213.A O no hydrogen 3.026 N/A THR 224.A N LEU 239.A O no hydrogen 2.726 N/A GLN 225.A N HIS 211.A O no hydrogen 2.751 N/A GLN 225.A NE2 VAL 226.A O no hydrogen 3.192 N/A VAL 226.A N TYR 237.A O no hydrogen 2.752 N/A ALA 227.A N VAL 209.A O no hydrogen 3.063 N/A GLU 228.A N GLU 235.A O no hydrogen 2.807 N/A LEU 229.A N ALA 207.A O no hydrogen 2.749 N/A ASN 230.A N GLU 233.A O no hydrogen 2.850 N/A GLU 233.A N ASN 230.A O no hydrogen 2.865 N/A GLU 235.A N GLU 228.A O no hydrogen 2.899 N/A TYR 237.A N VAL 226.A O no hydrogen 3.081 N/A TYR 237.A OH GLU 228.A OE1 no hydrogen 2.688 N/A LEU 239.A N THR 224.A O no hydrogen 2.927 N/A SER 240.A N ASP 243.A OD1 no hydrogen 2.834 N/A ASP 243.A N SER 240.A O no hydrogen 2.851 N/A PHE 244.A N PRO 241.A O no hydrogen 3.000 N/A GLY 245.A N GLN 242.A O no hydrogen 2.885 N/A LEU 246.A N PRO 241.A O no hydrogen 3.159 N/A SER 248.A OG ILE 220.A O no hydrogen 2.925 N/A ASN 252.A N SER 250.A OG no hydrogen 3.126 N/A ALA 253.A N SER 250.A O no hydrogen 2.896 N/A LEU 254.A N LEU 251.A O no hydrogen 2.948 N/A GLN 255.A N ASN 252.A O no hydrogen 3.326 N/A GLN 255.A NE2 THR 86.A O no hydrogen 3.107 N/A GLN 255.A NE2 GLY 256.A O no hydrogen 2.734 N/A GLY 256.A N ASN 87.A O no hydrogen 2.873 N/A GLY 257.A N ASN 262.A OD1 no hydrogen 2.794 N/A THR 258.A N GLU 261.A OE2 no hydrogen 3.022 N/A GLU 261.A N THR 258.A OG1 no hydrogen 3.224 N/A ASN 262.A N THR 258.A O no hydrogen 2.842 N/A ASN 262.A ND2 GLY 257.A O no hydrogen 2.999 N/A ARG 263.A N PRO 259.A O no hydrogen 3.010 N/A ARG 263.A NE ASP 264.A OD1 no hydrogen 3.225 N/A ARG 263.A NH2 GLU 260.A OE2 no hydrogen 3.241 N/A ARG 263.A NH2 ASP 264.A OD1 no hydrogen 3.264 N/A ASP 264.A N GLU 260.A O no hydrogen 3.087 N/A ILE 265.A N GLU 261.A O no hydrogen 2.931 N/A LEU 266.A N ASN 262.A O no hydrogen 2.977 N/A ALA 267.A N ARG 263.A O no hydrogen 2.952 N/A ARG 268.A N ASP 264.A O no hydrogen 2.969 N/A LEU 269.A N ILE 265.A O no hydrogen 3.006 N/A LEU 270.A N LEU 266.A O no hydrogen 2.942 N/A GLN 271.A N ALA 267.A O no hydrogen 2.935 N/A GLN 271.A N ARG 268.A O no hydrogen 3.271 N/A GLY 272.A N LEU 269.A O no hydrogen 3.048 N/A LYS 273.A N ARG 268.A O no hydrogen 2.735 N/A ALA 279.A N ASP 275.A O no hydrogen 3.123 N/A ARG 280.A N ALA 276.A O no hydrogen 3.041 N/A GLN 281.A N ALA 277.A O no hydrogen 3.045 N/A VAL 282.A N HIS 278.A O no hydrogen 3.078 N/A ALA 283.A N ALA 279.A O no hydrogen 2.909 N/A ALA 284.A N ARG 280.A O no hydrogen 2.938 N/A ASN 285.A N GLN 281.A O no hydrogen 3.161 N/A VAL 286.A N VAL 282.A O no hydrogen 2.874 N/A ALA 287.A N ALA 283.A O no hydrogen 2.972 N/A LEU 288.A N ALA 284.A O no hydrogen 3.289 N/A LEU 289.A N ASN 285.A O no hydrogen 3.112 N/A LEU 290.A N VAL 286.A O no hydrogen 2.916 N/A LYS 291.A N LEU 288.A O no hydrogen 3.027 N/A LYS 291.A NZ GLU 228.A OE1 no hydrogen 3.097 N/A LYS 291.A NZ GLU 228.A OE2 no hydrogen 3.121 N/A LYS 291.A NZ ASP 296.A OD2 no hydrogen 3.468 N/A LEU 292.A N LEU 289.A O no hydrogen 2.958 N/A PHE 293.A N LEU 290.A O no hydrogen 3.014 N/A GLY 294.A N LYS 291.A O no hydrogen 3.086 N/A GLN 295.A N LEU 290.A O no hydrogen 3.151 N/A GLN 295.A NE2 PHE 293.A O no hydrogen 3.317 N/A ASN 301.A N ASN 297.A O no hydrogen 2.882 N/A ASN 301.A ND2 ALA 287.A O no hydrogen 3.052 N/A ASN 301.A ND2 GLN 295.A O no hydrogen 2.845 N/A ALA 302.A N LEU 298.A O no hydrogen 2.872 N/A GLN 303.A N ARG 299.A O no hydrogen 3.041 N/A GLN 303.A NE2 GLU 307.A OE1 no hydrogen 2.770 N/A LEU 304.A N HIS 300.A O no hydrogen 3.127 N/A ALA 305.A N ASN 301.A O no hydrogen 2.965 N/A LEU 306.A N ALA 302.A O no hydrogen 2.976 N/A GLU 307.A N GLN 303.A O no hydrogen 3.168 N/A THR 308.A N LEU 304.A O no hydrogen 2.927 N/A THR 308.A OG1 LEU 304.A O no hydrogen 2.996 N/A ILE 309.A N ALA 305.A O no hydrogen 2.950 N/A ARG 310.A N LEU 306.A O no hydrogen 3.030 N/A SER 311.A N GLU 307.A O no hydrogen 2.974 N/A SER 311.A OG THR 308.A O no hydrogen 2.475 N/A GLY 312.A N ILE 309.A O no hydrogen 3.111 N/A THR 313.A N SER 311.A OG no hydrogen 3.134 N/A THR 313.A OG1 GLU 316.A OE1 no hydrogen 3.507 N/A PHE 315.A N GLY 312.A O no hydrogen 3.170 N/A ARG 317.A N ALA 314.A O no hydrogen 3.241 N/A ARG 317.A NE SER 101.A OG no hydrogen 3.340 N/A ARG 317.A NH2 LEU 137.A O no hydrogen 2.757 N/A VAL 318.A N ALA 314.A O no hydrogen 3.335 N/A VAL 318.A N PHE 315.A O no hydrogen 3.017 N/A THR 319.A N PHE 315.A O no hydrogen 3.109 N/A THR 319.A OG1 PHE 315.A O no hydrogen 3.370 N/A ALA 320.A N GLU 316.A O no hydrogen 2.818 N/A LEU 321.A N ARG 317.A O no hydrogen 3.047 N/A ALA 322.A N VAL 318.A O no hydrogen 3.005 N/A ALA 323.A N THR 319.A O no hydrogen 3.171 N/A ALA 323.A N ALA 320.A O no hydrogen 3.173 N/A ARG 324.A N LEU 321.A O no hydrogen 2.932 N/A ARG 324.A NH1 ASP 136.A OD2 no hydrogen 3.319 N/A ARG 324.A NH2 ASP 136.A OD2 no hydrogen 3.143 N/A