Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fkk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N GLU 188.A OE1 no hydrogen 2.936 N/A ARG 3.A NE GLU 188.A OE1 no hydrogen 2.836 N/A ARG 3.A NH2 GLU 188.A OE2 no hydrogen 2.970 N/A HIS 4.A N TYR 164.A OH no hydrogen 2.909 N/A GLY 6.A N THR 208.A O no hydrogen 3.037 N/A ILE 7.A N ASP 39.A OD2 no hydrogen 2.759 N/A PHE 8.A N ALA 210.A O no hydrogen 2.894 N/A VAL 10.A N THR 212.A O no hydrogen 2.877 N/A VAL 11.A N CYS 42.A O no hydrogen 2.803 N/A THR 13.A OG1 SER 48.A O no hydrogen 2.619 N/A THR 14.A OG1 ASP 22.A O no hydrogen 2.772 N/A ALA 16.A N ASP 20.A O no hydrogen 2.717 N/A THR 18.A OG1 ASP 20.A OD1 no hydrogen 2.713 N/A GLY 19.A N ALA 16.A O no hydrogen 2.985 N/A ASP 22.A N THR 14.A O no hydrogen 2.921 N/A SER 25.A N ASP 22.A OD2 no hydrogen 3.181 N/A SER 25.A OG ASP 22.A OD1 no hydrogen 2.557 N/A GLN 26.A N ASP 22.A O no hydrogen 3.016 N/A LYS 27.A N LEU 23.A O no hydrogen 3.049 N/A ARG 28.A N ALA 24.A O no hydrogen 3.282 N/A ARG 28.A NE VAL 267.A O no hydrogen 2.880 N/A ARG 28.A NH1 HIS 304.A O no hydrogen 2.875 N/A ARG 28.A NH1 HIS 304.A OXT no hydrogen 3.338 N/A ARG 28.A NH2 GLY 266.A O no hydrogen 2.948 N/A ARG 28.A NH2 HIS 304.A OXT no hydrogen 2.709 N/A ALA 29.A N SER 25.A O no hydrogen 2.828 N/A VAL 30.A N GLN 26.A O no hydrogen 3.167 N/A ASP 31.A N LYS 27.A O no hydrogen 2.945 N/A PHE 32.A N ARG 28.A O no hydrogen 2.866 N/A MET 33.A N ALA 29.A O no hydrogen 2.966 N/A ILE 34.A N VAL 30.A O no hydrogen 3.017 N/A ASP 35.A N ASP 31.A O no hydrogen 2.928 N/A ALA 36.A N PHE 32.A O no hydrogen 2.746 N/A GLY 37.A N ILE 34.A O no hydrogen 2.959 N/A SER 38.A OG MET 33.A O no hydrogen 2.627 N/A ASP 39.A N ILE 7.A O no hydrogen 2.939 N/A GLY 40.A N ILE 7.A O no hydrogen 3.371 N/A LEU 41.A N PRO 74.A O no hydrogen 3.018 N/A CYS 42.A N PRO 9.A O no hydrogen 2.988 N/A CYS 42.A SG ILE 76.A O no hydrogen 3.780 N/A CYS 42.A SG THR 78.A OG1 no hydrogen 3.478 N/A ILE 43.A N ILE 76.A O no hydrogen 2.885 N/A ALA 45.A N SER 48.A OG no hydrogen 2.979 N/A SER 48.A N ALA 45.A O no hydrogen 2.781 N/A SER 48.A OG VAL 11.A O no hydrogen 2.621 N/A GLU 49.A N ASN 46.A O no hydrogen 3.011 N/A GLN 50.A N ALA 45.A O no hydrogen 3.479 N/A ALA 52.A N GLU 49.A O no hydrogen 2.913 N/A ILE 53.A N GLN 50.A O no hydrogen 3.315 N/A THR 54.A N GLU 57.A OE1 no hydrogen 2.849 N/A GLU 57.A N THR 54.A OG1 no hydrogen 3.197 N/A ARG 58.A N THR 54.A O no hydrogen 2.904 N/A ARG 58.A NH1 GLN 50.A OE1 no hydrogen 2.930 N/A ASP 59.A N ASP 55.A O no hydrogen 3.027 N/A VAL 60.A N ASP 56.A O no hydrogen 3.040 N/A LEU 61.A N GLU 57.A O no hydrogen 2.843 N/A THR 62.A N ARG 58.A O no hydrogen 2.935 N/A THR 62.A OG1 ARG 58.A O no hydrogen 2.783 N/A ARG 63.A N ASP 59.A O no hydrogen 2.978 N/A ARG 63.A NH2 ASP 59.A OD1 no hydrogen 3.025 N/A THR 64.A N VAL 60.A O no hydrogen 2.888 N/A THR 64.A OG1 VAL 60.A O no hydrogen 2.651 N/A ILE 65.A N LEU 61.A O no hydrogen 2.918 N/A LEU 66.A N THR 62.A O no hydrogen 3.087 N/A GLU 67.A N ARG 63.A O no hydrogen 2.943 N/A HIS 68.A N THR 64.A O no hydrogen 2.973 N/A HIS 68.A NE2 ASP 31.A OD1 no hydrogen 2.768 N/A VAL 69.A N ILE 65.A O no hydrogen 2.913 N/A ALA 70.A N LEU 66.A O no hydrogen 3.282 N/A ARG 72.A N VAL 69.A O no hydrogen 3.011 N/A ARG 72.A NE VAL 69.A O no hydrogen 2.913 N/A ARG 72.A NH1 ASP 31.A OD2 no hydrogen 3.372 N/A ARG 72.A NH2 ASP 31.A OD2 no hydrogen 2.875 N/A ARG 72.A NH2 HIS 68.A O no hydrogen 2.936 N/A ILE 76.A N LEU 41.A O no hydrogen 2.646 N/A VAL 77.A N MET 101.A O no hydrogen 2.921 N/A THR 78.A N ILE 43.A O no hydrogen 3.046 N/A THR 78.A OG1 ILE 43.A O no hydrogen 2.861 N/A THR 79.A N MET 103.A O no hydrogen 2.812 N/A THR 79.A OG1 SER 91.A OG no hydrogen 2.934 N/A VAL 86.A N SER 83.A OG no hydrogen 3.180 N/A CYS 87.A N SER 83.A O no hydrogen 2.911 N/A CYS 87.A SG THR 79.A O no hydrogen 3.460 N/A CYS 87.A SG THR 79.A OG1 no hydrogen 3.689 N/A ALA 88.A N THR 84.A O no hydrogen 2.818 N/A ALA 89.A N GLN 85.A O no hydrogen 2.976 N/A ARG 90.A N VAL 86.A O no hydrogen 2.937 N/A ARG 90.A NH2 SER 80.A O no hydrogen 2.749 N/A SER 91.A N CYS 87.A O no hydrogen 2.906 N/A SER 91.A OG THR 79.A OG1 no hydrogen 2.934 N/A SER 91.A OG CYS 87.A O no hydrogen 2.807 N/A LEU 92.A N ALA 88.A O no hydrogen 2.947 N/A ARG 93.A N ALA 89.A O no hydrogen 3.077 N/A ALA 94.A N ARG 90.A O no hydrogen 2.968 N/A GLN 95.A N SER 91.A O no hydrogen 3.026 N/A GLN 96.A N LEU 92.A O no hydrogen 2.894 N/A LEU 97.A N ARG 93.A O no hydrogen 3.026 N/A GLY 98.A N GLN 95.A O no hydrogen 2.927 N/A ALA 99.A N ALA 94.A O no hydrogen 2.906 N/A ALA 100.A N VAL 75.A O no hydrogen 3.003 N/A VAL 102.A N PRO 134.A O no hydrogen 3.168 N/A MET 103.A N VAL 77.A O no hydrogen 2.917 N/A ALA 104.A N MET 136.A O no hydrogen 2.978 N/A MET 105.A N SER 80.A OG no hydrogen 2.743 N/A HIS 109.A N PHE 113.A O no hydrogen 3.052 N/A PHE 113.A N HIS 109.A O no hydrogen 3.204 N/A ARG 114.A NH2 PHE 113.A O no hydrogen 3.431 N/A ARG 114.A NH2 SER 143.A O no hydrogen 2.814 N/A GLN 119.A N PRO 116.A O no hydrogen 2.982 N/A ILE 120.A N PRO 116.A O no hydrogen 3.002 N/A PHE 121.A N GLU 117.A O no hydrogen 2.822 N/A GLU 122.A N ALA 118.A O no hydrogen 3.226 N/A PHE 123.A N GLN 119.A O no hydrogen 2.781 N/A TYR 124.A N ILE 120.A O no hydrogen 3.062 N/A TYR 124.A OH ALA 104.A O no hydrogen 2.777 N/A ALA 125.A N PHE 121.A O no hydrogen 2.882 N/A ARG 126.A N GLU 122.A O no hydrogen 2.916 N/A VAL 127.A N PHE 123.A O no hydrogen 3.043 N/A SER 128.A N TYR 124.A O no hydrogen 2.857 N/A ASP 129.A N ALA 125.A O no hydrogen 2.880 N/A ALA 130.A N ARG 126.A O no hydrogen 3.217 N/A ALA 130.A N VAL 127.A O no hydrogen 3.228 N/A ILE 131.A N SER 128.A O no hydrogen 3.293 N/A ALA 132.A N GLN 95.A OE1 no hydrogen 2.672 N/A ILE 135.A N GLN 161.A O no hydrogen 2.751 N/A MET 136.A N VAL 102.A O no hydrogen 2.761 N/A VAL 137.A N TYR 164.A O no hydrogen 2.784 N/A GLN 138.A N ALA 104.A O no hydrogen 3.244 N/A ASP 139.A N LYS 166.A O no hydrogen 2.884 N/A SER 143.A N ALA 140.A O no hydrogen 3.339 N/A SER 143.A OG ALA 140.A O no hydrogen 2.882 N/A GLY 144.A N PRO 141.A O no hydrogen 2.846 N/A THR 145.A N SER 143.A OG no hydrogen 3.175 N/A THR 145.A OG1 SER 143.A O no hydrogen 3.132 N/A PHE 151.A N SER 148.A OG no hydrogen 3.183 N/A LEU 152.A N SER 148.A O no hydrogen 2.974 N/A ALA 153.A N ALA 149.A O no hydrogen 2.934 N/A ARG 154.A N PRO 150.A O no hydrogen 2.874 N/A MET 155.A N PHE 151.A O no hydrogen 2.996 N/A ALA 156.A N LEU 152.A O no hydrogen 3.072 N/A ARG 157.A N ALA 153.A O no hydrogen 3.013 N/A GLU 158.A N ARG 154.A O no hydrogen 2.844 N/A ILE 159.A N MET 155.A O no hydrogen 2.665 N/A GLN 161.A N SER 128.A OG no hydrogen 2.952 N/A VAL 162.A N ILE 159.A O no hydrogen 3.178 N/A ALA 163.A N ILE 135.A O no hydrogen 3.374 N/A TYR 164.A N ILE 135.A O no hydrogen 3.202 N/A TYR 164.A OH GLU 188.A OE1 no hydrogen 2.679 N/A PHE 165.A N GLY 189.A O no hydrogen 2.802 N/A LYS 166.A N VAL 137.A O no hydrogen 2.949 N/A LYS 166.A NZ GLN 138.A OE1 no hydrogen 3.488 N/A ILE 167.A N TRP 191.A O no hydrogen 2.985 N/A GLU 168.A N ASP 139.A O no hydrogen 2.712 N/A THR 169.A OG1 ASP 139.A OD1 no hydrogen 2.950 N/A LYS 175.A N GLY 171.A O no hydrogen 3.116 N/A LYS 175.A NZ ASP 139.A OD1 no hydrogen 2.525 N/A LYS 175.A NZ LEU 147.A O no hydrogen 2.715 N/A LEU 176.A N ALA 172.A O no hydrogen 2.743 N/A ARG 177.A N ALA 173.A O no hydrogen 3.097 N/A GLU 178.A N ASN 174.A O no hydrogen 3.056 N/A LEU 179.A N LYS 175.A O no hydrogen 2.717 N/A ILE 180.A N LEU 176.A O no hydrogen 2.970 N/A ARG 181.A N ARG 177.A O no hydrogen 3.141 N/A ARG 181.A NE GLU 178.A OE2 no hydrogen 2.903 N/A ARG 181.A NH2 GLU 178.A OE1 no hydrogen 2.971 N/A ARG 181.A NH2 GLU 178.A OE2 no hydrogen 2.672 N/A LEU 182.A N GLU 178.A O no hydrogen 2.961 N/A GLY 183.A N LEU 179.A O no hydrogen 2.813 N/A GLY 184.A N ILE 180.A O no hydrogen 2.938 N/A ALA 186.A N GLY 183.A O no hydrogen 3.089 N/A ILE 187.A N GLY 184.A O no hydrogen 3.074 N/A GLY 189.A N ALA 163.A O no hydrogen 2.864 N/A TRP 191.A N PHE 165.A O no hydrogen 2.893 N/A ASP 192.A N GLY 209.A O no hydrogen 3.092 N/A GLU 194.A N GLU 168.A OE2 no hydrogen 2.905 N/A ALA 196.A N GLY 193.A O no hydrogen 2.857 N/A ILE 197.A N GLU 194.A O no hydrogen 3.158 N/A THR 198.A OG1 ASP 202.A OD1 no hydrogen 3.406 N/A THR 198.A OG1 ASP 202.A OD2 no hydrogen 2.589 N/A LEU 199.A N ALA 196.A O no hydrogen 3.166 N/A ASP 202.A N THR 198.A O no hydrogen 2.946 N/A LEU 203.A N LEU 199.A O no hydrogen 2.874 N/A HIS 204.A N LEU 200.A O no hydrogen 3.193 N/A ALA 205.A N ALA 201.A O no hydrogen 3.153 N/A GLY 206.A N LEU 203.A O no hydrogen 3.001 N/A ALA 207.A N ASP 202.A O no hydrogen 2.981 N/A THR 208.A N PRO 190.A O no hydrogen 3.024 N/A ALA 210.A N GLY 6.A O no hydrogen 2.926 N/A MET 211.A N ASP 192.A O no hydrogen 3.052 N/A THR 212.A OG1 GLY 213.A O no hydrogen 2.859 N/A GLY 219.A N PHE 216.A O no hydrogen 2.921 N/A ILE 220.A N PRO 217.A O no hydrogen 3.283 N/A ARG 221.A N PRO 217.A O no hydrogen 2.984 N/A ARG 221.A NE ASP 39.A OD1 no hydrogen 3.147 N/A ARG 221.A NE ASP 39.A OD2 no hydrogen 2.832 N/A ARG 221.A NH2 ASP 39.A OD1 no hydrogen 2.644 N/A ILE 223.A N ILE 220.A O no hydrogen 2.935 N/A GLU 225.A N ARG 221.A O no hydrogen 2.976 N/A ALA 226.A N PRO 222.A O no hydrogen 2.810 N/A TRP 227.A N ILE 223.A O no hydrogen 3.038 N/A ARG 228.A N LEU 224.A O no hydrogen 2.884 N/A GLU 229.A N GLU 225.A O no hydrogen 2.879 N/A GLY 230.A N TRP 227.A O no hydrogen 2.956 N/A ARG 231.A N ALA 226.A O no hydrogen 2.903 N/A ALA 235.A N ARG 231.A O no hydrogen 2.991 N/A TYR 236.A N HIS 232.A O no hydrogen 3.055 N/A ALA 237.A N ASP 233.A O no hydrogen 3.099 N/A ARG 238.A N ASP 234.A O no hydrogen 3.044 N/A ARG 238.A NE ASP 234.A OD2 no hydrogen 2.852 N/A TYR 239.A N ALA 235.A O no hydrogen 2.754 N/A TYR 239.A OH ILE 197.A O no hydrogen 2.816 N/A GLN 240.A N TYR 236.A O no hydrogen 2.689 N/A ALA 241.A N ALA 237.A O no hydrogen 3.107 N/A TRP 242.A N ARG 238.A O no hydrogen 3.280 N/A LEU 243.A N TYR 239.A O no hydrogen 2.875 N/A LEU 245.A N TRP 242.A O no hydrogen 2.920 N/A ILE 246.A N TRP 242.A O no hydrogen 3.110 N/A ASN 247.A N LEU 243.A O no hydrogen 2.709 N/A HIS 248.A N PRO 244.A O no hydrogen 2.976 N/A HIS 248.A NE2 THR 284.A O no hydrogen 2.980 N/A GLU 249.A N LEU 245.A O no hydrogen 2.972 N/A ASN 250.A N ILE 246.A O no hydrogen 2.931 N/A ASN 250.A ND2 GLU 194.A O no hydrogen 3.522 N/A ASN 250.A ND2 GLU 194.A OE2 no hydrogen 3.255 N/A ASN 250.A ND2 GLU 195.A OE1 no hydrogen 2.913 N/A ARG 251.A N ASN 247.A O no hydrogen 2.887 N/A GLN 252.A N HIS 248.A O no hydrogen 2.714 N/A SER 253.A N HIS 248.A O no hydrogen 2.908 N/A SER 253.A OG HIS 248.A O no hydrogen 3.336 N/A SER 253.A OG THR 257.A OG1 no hydrogen 2.503 N/A GLY 254.A N GLU 249.A O no hydrogen 2.752 N/A THR 257.A N GLY 254.A O no hydrogen 3.015 N/A THR 257.A OG1 SER 253.A OG no hydrogen 2.503 N/A THR 257.A OG1 GLY 254.A O no hydrogen 2.666 N/A LYS 259.A NZ THR 13.A O no hydrogen 3.028 N/A LYS 259.A NZ GLU 49.A OE2 no hydrogen 2.603 N/A LYS 259.A NZ ARG 272.A O no hydrogen 3.111 N/A ALA 260.A N LEU 256.A O no hydrogen 2.825 N/A LEU 261.A N THR 257.A O no hydrogen 3.044 N/A MET 262.A N ALA 258.A O no hydrogen 2.893 N/A ARG 263.A N LYS 259.A O no hydrogen 2.846 N/A GLU 264.A N ALA 260.A O no hydrogen 2.993 N/A GLY 265.A N LEU 261.A O no hydrogen 3.075 N/A GLY 266.A N ARG 263.A O no hydrogen 3.045 N/A VAL 267.A N MET 262.A O no hydrogen 2.729 N/A ILE 268.A N MET 262.A O no hydrogen 3.318 N/A ALA 269.A N SER 25.A OG no hydrogen 3.022 N/A SER 270.A OG ASP 17.A OD1 no hydrogen 3.174 N/A ARG 272.A N SER 270.A OG no hydrogen 3.320 N/A ARG 272.A NE GLU 279.A OE1 no hydrogen 2.972 N/A ARG 272.A NH1 ASP 17.A OD2 no hydrogen 3.046 N/A ARG 274.A NE GLY 19.A O no hydrogen 2.732 N/A ARG 274.A NH1 ALA 52.A O no hydrogen 2.913 N/A ARG 274.A NH1 GLU 57.A OE1 no hydrogen 2.837 N/A ARG 274.A NH1 GLU 57.A OE2 no hydrogen 3.335 N/A ARG 274.A NH2 GLY 19.A O no hydrogen 3.015 N/A ARG 274.A NH2 GLU 57.A OE2 no hydrogen 2.655 N/A MET 277.A N ARG 274.A O no hydrogen 3.089 N/A ARG 285.A N HIS 281.A O no hydrogen 2.995 N/A ARG 285.A NH1 ALA 260.A O no hydrogen 3.437 N/A ALA 286.A N PRO 282.A O no hydrogen 2.890 N/A GLU 287.A N ASP 283.A O no hydrogen 2.831 N/A LEU 288.A N THR 284.A O no hydrogen 3.146 N/A LEU 289.A N ARG 285.A O no hydrogen 3.050 N/A ALA 290.A N ALA 286.A O no hydrogen 2.951 N/A ILE 291.A N GLU 287.A O no hydrogen 3.115 N/A ALA 292.A N LEU 288.A O no hydrogen 2.992 N/A ARG 293.A N LEU 289.A O no hydrogen 2.863 N/A ARG 294.A N ILE 291.A O no hydrogen 3.016 N/A LEU 295.A N ALA 292.A O no hydrogen 2.896 N/A LEU 298.A N ASP 218.A OD1 no hydrogen 2.953 N/A LEU 300.A N PRO 297.A O no hydrogen 3.188 N/A ARG 301.A N LEU 298.A O no hydrogen 2.736 N/A ARG 301.A NE ASP 296.A O no hydrogen 3.272 N/A ARG 301.A NE ASP 296.A OD1 no hydrogen 2.935 N/A ARG 301.A NE ASP 296.A OD2 no hydrogen 3.377 N/A ARG 301.A NH2 ASP 296.A O no hydrogen 3.079 N/A TRP 302.A NE1 ASP 35.A OD1 no hydrogen 2.895 N/A HIS 304.A N TRP 302.A O no hydrogen 2.957 N/A