Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2f1k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N HIS 24.A ND1 no hydrogen 2.959 N/A LYS 2.A NZ THR 57.A OG1 no hydrogen 2.796 N/A ILE 3.A N TYR 25.A O no hydrogen 2.893 N/A GLY 4.A N ILE 60.A O no hydrogen 2.822 N/A VAL 5.A N ILE 27.A O no hydrogen 2.917 N/A VAL 6.A N PHE 62.A O no hydrogen 2.909 N/A GLY 7.A N VAL 29.A O no hydrogen 2.762 N/A LEU 8.A N SER 30.A OG no hydrogen 3.040 N/A ALA 13.A N GLY 9.A O no hydrogen 2.876 N/A SER 14.A N LEU 10.A O no hydrogen 3.186 N/A SER 14.A OG LEU 10.A O no hydrogen 2.753 N/A LEU 15.A N ILE 11.A O no hydrogen 2.839 N/A ALA 16.A N GLY 12.A O no hydrogen 2.932 N/A GLY 17.A N ALA 13.A O no hydrogen 3.019 N/A ASP 18.A N SER 14.A O no hydrogen 3.016 N/A LEU 19.A N LEU 15.A O no hydrogen 2.869 N/A ARG 20.A N ALA 16.A O no hydrogen 2.837 N/A ARG 20.A NE ASP 46.A OD2 no hydrogen 2.795 N/A ARG 20.A NH1 GLN 43.A O no hydrogen 3.402 N/A ARG 20.A NH2 ASP 46.A OD1 no hydrogen 2.808 N/A ARG 21.A N GLY 17.A O no hydrogen 3.091 N/A ARG 21.A NE.A ASP 18.A OD1 no hydrogen 3.216 N/A ARG 21.A NH1.B ASP 18.A OD1 no hydrogen 2.787 N/A ARG 21.A NH2.A ASP 18.A OD1 no hydrogen 2.923 N/A ARG 21.A NH2.A ASN 127.A OD1 no hydrogen 2.558 N/A ARG 22.A N LEU 19.A O no hydrogen 3.035 N/A GLY 23.A N ARG 20.A O no hydrogen 2.869 N/A HIS 24.A N LEU 19.A O no hydrogen 3.430 N/A TYR 25.A N MET 1.A O no hydrogen 2.870 N/A TYR 25.A OH GLU 47.A OE1 no hydrogen 2.618 N/A LEU 26.A N ASP 46.A OD2 no hydrogen 2.849 N/A ILE 27.A N ILE 3.A O no hydrogen 2.921 N/A GLY 28.A N GLU 47.A O no hydrogen 2.854 N/A VAL 29.A N VAL 5.A O no hydrogen 2.843 N/A SER 30.A N GLY 49.A O no hydrogen 3.141 N/A GLN 33.A NE2 GLU 37.A OE2 no hydrogen 3.457 N/A CYS 36.A N GLN 32.A O no hydrogen 3.191 N/A CYS 36.A SG GLN 32.A O no hydrogen 3.581 N/A GLU 37.A N GLN 33.A O no hydrogen 3.061 N/A LYS 38.A N SER 34.A O no hydrogen 2.853 N/A LYS 38.A NZ ASP 122.A OD2 no hydrogen 3.046 N/A ALA 39.A N THR 35.A O no hydrogen 2.923 N/A VAL 40.A N CYS 36.A O no hydrogen 3.175 N/A GLU 41.A N GLU 37.A O no hydrogen 2.871 N/A ARG 42.A N LYS 38.A O no hydrogen 2.793 N/A ARG 42.A NH1 ASP 122.A OD2 no hydrogen 2.819 N/A GLN 43.A N VAL 40.A O no hydrogen 3.043 N/A LEU 44.A N ALA 39.A O no hydrogen 2.897 N/A VAL 45.A N ALA 39.A O no hydrogen 3.390 N/A ASP 46.A N LEU 26.A O no hydrogen 2.813 N/A GLU 47.A N LEU 26.A O no hydrogen 3.223 N/A GLY 49.A N GLY 28.A O no hydrogen 3.003 N/A GLN 50.A NE2 ARG 31.A O no hydrogen 2.765 N/A SER 53.A N ASP 51.A OD1 no hydrogen 2.956 N/A LEU 54.A N ASP 51.A O no hydrogen 3.170 N/A LEU 55.A N LEU 52.A O no hydrogen 3.016 N/A GLN 56.A N SER 53.A O no hydrogen 3.204 N/A GLN 56.A NE2 HIS 80.A ND1 no hydrogen 3.076 N/A ALA 58.A N LEU 55.A O no hydrogen 3.129 N/A LYS 59.A N LYS 2.A O no hydrogen 2.972 N/A LYS 59.A NZ.A THR 84.A O no hydrogen 2.752 N/A LYS 59.A NZ.A THR 84.A OG1 no hydrogen 2.942 N/A ILE 61.A N ILE 86.A O no hydrogen 2.869 N/A PHE 62.A N GLY 4.A O no hydrogen 2.843 N/A LEU 63.A N THR 88.A O no hydrogen 2.755 N/A CYS 64.A N VAL 6.A O no hydrogen 2.690 N/A THR 65.A OG1 PRO 66.A O no hydrogen 3.194 N/A GLN 68.A N GLN 68.A OE1 no hydrogen 2.747 N/A LEU 69.A N PRO 66.A O no hydrogen 2.901 N/A ILE 70.A N ILE 67.A O no hydrogen 3.155 N/A THR 73.A N LEU 69.A O no hydrogen 2.981 N/A THR 73.A OG1 LEU 69.A O no hydrogen 2.636 N/A LEU 74.A N ILE 70.A O no hydrogen 2.915 N/A GLU 75.A N LEU 71.A O no hydrogen 2.903 N/A LYS 76.A N PRO 72.A O no hydrogen 3.172 N/A LYS 76.A NZ PRO 72.A O no hydrogen 2.796 N/A LEU 77.A N THR 73.A O no hydrogen 2.886 N/A ILE 78.A N LEU 74.A O no hydrogen 2.995 N/A HIS 80.A N LEU 77.A O no hydrogen 2.833 N/A LEU 81.A N ILE 78.A O no hydrogen 3.114 N/A ALA 85.A N SER 82.A O no hydrogen 2.981 N/A ILE 86.A N LYS 59.A O no hydrogen 2.820 N/A THR 88.A N ILE 61.A O no hydrogen 3.015 N/A THR 88.A OG1 ILE 109.A O no hydrogen 2.660 N/A VAL 90.A N LEU 63.A O no hydrogen 3.118 N/A ALA 91.A N ASP 89.A OD2 no hydrogen 3.096 N/A LYS 94.A N ASP 169.A OD1 no hydrogen 2.781 N/A LYS 94.A NZ ASP 89.A OD1 no hydrogen 3.308 N/A LYS 94.A NZ ASP 89.A OD2 no hydrogen 2.733 N/A LYS 94.A NZ ALA 91.A O no hydrogen 2.807 N/A LYS 94.A NZ VAL 93.A O no hydrogen 2.885 N/A LYS 94.A NZ GLY 111.A O no hydrogen 2.913 N/A THR 95.A N ASP 169.A OD2 no hydrogen 2.791 N/A THR 95.A OG1 ASP 169.A OD2 no hydrogen 2.913 N/A ILE 97.A N LYS 94.A O no hydrogen 3.091 N/A ALA 98.A N LYS 94.A O no hydrogen 2.756 N/A ALA 101.A N ILE 97.A O no hydrogen 2.863 N/A SER 102.A N ALA 98.A O no hydrogen 2.876 N/A SER 102.A OG ALA 98.A O no hydrogen 3.283 N/A SER 102.A OG GLU 99.A O no hydrogen 2.469 N/A SER 102.A OG GLU 99.A OE2 no hydrogen 3.247 N/A GLN 103.A N GLU 99.A O no hydrogen 3.309 N/A GLN 103.A NE2 SER 102.A OG no hydrogen 3.264 N/A GLN 103.A NE2 GLU 140.A OE2 no hydrogen 3.118 N/A LEU 104.A N PRO 100.A O no hydrogen 3.310 N/A LEU 104.A N ALA 101.A O no hydrogen 3.023 N/A TRP 105.A N ALA 101.A O no hydrogen 2.803 N/A TRP 105.A NE1 ALA 85.A O no hydrogen 3.011 N/A PHE 108.A N TRP 105.A O no hydrogen 3.006 N/A ILE 109.A N VAL 87.A O no hydrogen 3.027 N/A GLY 110.A N THR 137.A O no hydrogen 2.989 N/A GLY 111.A N ASP 89.A OD1 no hydrogen 2.880 N/A HIS 112.A N VAL 135.A O no hydrogen 2.904 N/A HIS 112.A ND1 HIS 168.A NE2 no hydrogen 2.761 N/A THR 116.A OG1 GLY 115.A O no hydrogen 2.461 N/A GLY 123.A N GLY 120.A O no hydrogen 2.872 N/A ALA 124.A N ILE 121.A O no hydrogen 2.980 N/A GLU 125.A N SER 14.A OG no hydrogen 3.128 N/A ASN 127.A N ASP 18.A OD1 no hydrogen 2.929 N/A VAL 130.A N ASN 127.A O no hydrogen 3.359 N/A ASN 131.A N GLY 157.A O no hydrogen 2.727 N/A ALA 132.A N PHE 129.A O no hydrogen 2.962 N/A TYR 134.A N LYS 159.A O no hydrogen 2.810 N/A VAL 135.A N HIS 112.A O no hydrogen 2.939 N/A LEU 136.A N TYR 161.A O no hydrogen 2.820 N/A THR 137.A N GLY 110.A O no hydrogen 2.793 N/A THR 137.A OG1 THR 137.A O no hydrogen 2.634 N/A THR 139.A N THR 142.A OG1 no hydrogen 2.946 N/A THR 139.A OG1 PHE 108.A O no hydrogen 2.625 N/A THR 142.A N THR 139.A O no hydrogen 3.097 N/A THR 142.A OG1 GLY 107.A O no hydrogen 3.200 N/A THR 142.A OG1 THR 139.A O no hydrogen 3.367 N/A GLU 145.A N ASP 143.A OD1 no hydrogen 2.753 N/A LEU 147.A N ASP 143.A O no hydrogen 2.971 N/A ALA 148.A N PRO 144.A O no hydrogen 2.983 N/A ARG 150.A N LEU 147.A O no hydrogen 2.901 N/A ARG 150.A NH2 GLU 154.A OE2 no hydrogen 2.986 N/A SER 151.A N ALA 148.A O no hydrogen 2.832 N/A VAL 152.A N LEU 149.A O no hydrogen 3.098 N/A LEU 153.A N LEU 149.A O no hydrogen 3.080 N/A GLU 154.A N ARG 150.A O no hydrogen 2.879 N/A LEU 156.A N LEU 153.A O no hydrogen 2.847 N/A GLY 157.A N GLU 154.A O no hydrogen 2.951 N/A LYS 159.A N ALA 132.A O no hydrogen 2.834 N/A LYS 159.A NZ.A ILE 160.A O no hydrogen 2.722 N/A TYR 161.A N TYR 134.A O no hydrogen 3.039 N/A CYS 163.A N LEU 136.A O no hydrogen 3.128 N/A CYS 163.A SG THR 164.A O no hydrogen 3.531 N/A ASP 167.A N THR 164.A OG1 no hydrogen 3.028 N/A HIS 168.A N THR 164.A O no hydrogen 2.950 N/A HIS 168.A ND1 ASP 169.A OD1 no hydrogen 2.770 N/A HIS 168.A NE2 HIS 112.A ND1 no hydrogen 2.761 N/A ASP 169.A N PRO 165.A O no hydrogen 2.934 N/A GLN 170.A N ALA 166.A O no hydrogen 2.956 N/A GLN 170.A NE2 GLN 170.A O no hydrogen 3.269 N/A GLN 170.A NE2 ALA 234.A O no hydrogen 3.335 N/A ALA 171.A N ASP 167.A O no hydrogen 2.961 N/A VAL 172.A N HIS 168.A O no hydrogen 2.895 N/A ALA 173.A N ASP 169.A O no hydrogen 2.966 N/A TRP 174.A N GLN 170.A O no hydrogen 3.056 N/A ILE 175.A N ALA 171.A O no hydrogen 3.116 N/A SER 176.A N VAL 172.A O no hydrogen 2.890 N/A HIS 177.A N VAL 172.A O no hydrogen 2.968 N/A LEU 178.A N ALA 173.A O no hydrogen 2.745 N/A VAL 180.A N SER 176.A O no hydrogen 3.257 N/A MET 181.A N HIS 177.A O no hydrogen 3.218 N/A VAL 182.A N LEU 178.A O no hydrogen 2.875 N/A SER 183.A N PRO 179.A O no hydrogen 2.917 N/A SER 183.A OG THR 213.A O no hydrogen 2.721 N/A ALA 184.A N VAL 180.A O no hydrogen 2.864 N/A ALA 185.A N MET 181.A O no hydrogen 2.983 N/A LEU 186.A N VAL 182.A O no hydrogen 3.186 N/A ILE 187.A N SER 183.A O no hydrogen 3.156 N/A GLN 188.A N ALA 184.A O no hydrogen 2.953 N/A ALA 189.A N ALA 185.A O no hydrogen 2.948 N/A CYS 190.A N LEU 186.A O no hydrogen 3.009 N/A CYS 190.A SG LEU 186.A O no hydrogen 3.421 N/A ALA 191.A N ILE 187.A O no hydrogen 2.879 N/A GLY 192.A N GLN 188.A O no hydrogen 3.043 N/A GLY 192.A N ALA 189.A O no hydrogen 3.232 N/A GLU 193.A N CYS 190.A O no hydrogen 3.175 N/A ASP 195.A N GLU 193.A OE2 no hydrogen 2.839 N/A ILE 198.A N ASP 195.A OD2 no hydrogen 2.952 N/A LEU 199.A N ASP 195.A O no hydrogen 2.970 N/A LYS 200.A N GLY 196.A O no hydrogen 3.032 N/A LEU 201.A N ASP 197.A O no hydrogen 2.987 N/A ALA 202.A N ILE 198.A O no hydrogen 2.856 N/A GLN 203.A N LEU 199.A O no hydrogen 3.000 N/A ASN 204.A N LYS 200.A O no hydrogen 2.881 N/A LEU 205.A N LEU 201.A O no hydrogen 2.841 N/A ALA 206.A N ALA 202.A O no hydrogen 2.999 N/A SER 207.A OG.B LEU 205.A O no hydrogen 2.824 N/A ARG 211.A N SER 207.A O no hydrogen 2.876 N/A ASP 212.A N SER 208.A O no hydrogen 2.854 N/A THR 213.A N GLY 209.A O no hydrogen 3.080 N/A THR 213.A OG1 GLY 209.A O no hydrogen 2.726 N/A SER 214.A N PHE 210.A O no hydrogen 2.879 N/A SER 214.A OG PHE 210.A O no hydrogen 2.694 N/A SER 214.A OG ARG 211.A O no hydrogen 3.326 N/A ARG 215.A NH1 ASP 212.A OD1 no hydrogen 3.511 N/A ARG 215.A NH2 ASP 212.A OD1 no hydrogen 2.892 N/A GLY 217.A N SER 183.A OG no hydrogen 2.819 N/A GLY 218.A N ARG 215.A O no hydrogen 3.132 N/A GLY 219.A N VAL 216.A O no hydrogen 3.368 N/A LEU 223.A N ASN 220.A OD1 no hydrogen 3.200 N/A GLY 224.A N ASN 220.A O no hydrogen 3.344 N/A THR 225.A N PRO 221.A O no hydrogen 3.108 N/A THR 225.A OG1.A PRO 221.A O no hydrogen 3.320 N/A THR 225.A OG1.A GLU 222.A O no hydrogen 2.804 N/A THR 225.A OG1.B PRO 221.A O no hydrogen 2.755 N/A MET 226.A N GLU 222.A O no hydrogen 2.956 N/A MET 227.A N.A LEU 223.A O no hydrogen 3.030 N/A MET 227.A N.B LEU 223.A O no hydrogen 2.951 N/A ALA 228.A N GLY 224.A O no hydrogen 3.092 N/A THR 229.A N THR 225.A O no hydrogen 2.904 N/A THR 229.A OG1 THR 225.A O no hydrogen 2.727 N/A TYR 230.A N MET 226.A O no hydrogen 2.948 N/A ASN 231.A N MET 227.A O.A no hydrogen 2.934 N/A ASN 231.A N MET 227.A O.B no hydrogen 2.844 N/A ASN 231.A ND2 ASP 169.A O no hydrogen 3.129 N/A ASN 231.A ND2 HIS 177.A ND1 no hydrogen 2.970 N/A LEU 235.A N ASN 231.A O no hydrogen 2.965 N/A LEU 236.A N GLN 232.A O no hydrogen 2.847 N/A LYS 237.A N ARG 233.A O no hydrogen 3.038 N/A LYS 237.A NZ ASP 241.A OD2 no hydrogen 2.661 N/A SER 238.A N ALA 234.A O no hydrogen 3.020 N/A SER 238.A OG ALA 234.A O no hydrogen 3.239 N/A LEU 239.A N LEU 235.A O no hydrogen 2.829 N/A GLN 240.A N LEU 236.A O no hydrogen 2.886 N/A ASP 241.A N LYS 237.A O no hydrogen 3.031 N/A TYR 242.A N SER 238.A O no hydrogen 2.782 N/A ARG 243.A N.A LEU 239.A O no hydrogen 2.887 N/A ARG 243.A N.B LEU 239.A O no hydrogen 2.869 N/A ARG 243.A NH1.B GLN 240.A OE1 no hydrogen 2.736 N/A GLN 244.A N GLN 240.A O no hydrogen 3.129 N/A HIS 245.A N ASP 241.A O no hydrogen 3.122 N/A LEU 246.A N TYR 242.A O no hydrogen 2.802 N/A ASP 247.A N ARG 243.A O.A no hydrogen 2.778 N/A ASP 247.A N ARG 243.A O.B no hydrogen 2.869 N/A GLN 248.A N GLN 244.A O no hydrogen 3.074 N/A LEU 249.A N HIS 245.A O no hydrogen 3.045 N/A ILE 250.A N LEU 246.A O no hydrogen 2.927 N/A THR 251.A N ASP 247.A O no hydrogen 2.945 N/A THR 251.A OG1 ASP 247.A O no hydrogen 3.075 N/A LEU 252.A N GLN 248.A O no hydrogen 3.036 N/A ILE 253.A N LEU 249.A O no hydrogen 3.000 N/A SER 254.A N ILE 250.A O no hydrogen 2.783 N/A SER 254.A OG.A ILE 250.A O no hydrogen 3.001 N/A SER 254.A OG.B ILE 250.A O no hydrogen 2.612 N/A SER 254.A OG.B THR 251.A O no hydrogen 2.841 N/A ASN 255.A N THR 251.A O no hydrogen 2.955 N/A ASN 255.A ND2 THR 251.A O no hydrogen 2.886 N/A GLN 256.A N ILE 253.A O no hydrogen 3.034 N/A GLN 257.A N.A LEU 252.A O no hydrogen 2.856 N/A GLN 257.A N.B LEU 252.A O no hydrogen 2.860 N/A GLN 257.A NE2.A ASN 255.A O no hydrogen 2.943 N/A GLU 260.A N GLU 260.A OE1 no hydrogen 2.746 N/A LEU 261.A N GLN 257.A O.A no hydrogen 2.962 N/A LEU 261.A N GLN 257.A O.B no hydrogen 3.052 N/A HIS 262.A N TRP 258.A O no hydrogen 2.916 N/A ARG 263.A N PRO 259.A O no hydrogen 2.999 N/A LEU 264.A N GLU 260.A O no hydrogen 3.026 N/A LEU 265.A N LEU 261.A O no hydrogen 2.909 N/A GLN 266.A N HIS 262.A O no hydrogen 2.859 N/A GLN 267.A N ARG 263.A O no hydrogen 3.042 N/A GLN 267.A NE2 ASP 271.A OD1 no hydrogen 3.133 N/A GLN 267.A NE2 ASP 271.A OD2 no hydrogen 3.480 N/A THR 268.A N LEU 264.A O no hydrogen 2.984 N/A THR 268.A OG1 LEU 265.A O no hydrogen 3.074 N/A ASN 269.A N LEU 265.A O no hydrogen 3.001 N/A GLY 270.A N GLN 266.A O no hydrogen 3.207 N/A ASP 271.A N GLN 267.A O no hydrogen 2.851 N/A ARG 272.A N THR 268.A O no hydrogen 3.051 N/A ASP 273.A N GLY 270.A O no hydrogen 3.182 N/A TYR 275.A N ARG 272.A O no hydrogen 2.938 N/A VAL 276.A N ASP 273.A O no hydrogen 3.270 N/A