Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kxm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 HIS 58.A O no hydrogen 3.224 N/A LEU 2.A N ASP 59.A O no hydrogen 3.201 N/A ALA 6.A N THR 271.A O no hydrogen 2.826 N/A SER 7.A N GLY 127.A O no hydrogen 2.896 N/A GLU 9.A N GLU 9.A OE2 no hydrogen 2.750 N/A ARG 12.A N GLU 9.A O no hydrogen 2.997 N/A ARG 12.A NH2 ASP 16.A OD2 no hydrogen 3.009 N/A SER 13.A N ASP 16.A OD1 no hydrogen 2.785 N/A SER 13.A OG ASP 16.A OD1 no hydrogen 3.452 N/A TYR 14.A OH ILE 281.A O no hydrogen 2.920 N/A PHE 17.A N SER 13.A O no hydrogen 3.428 N/A GLN 18.A N TYR 14.A O no hydrogen 2.815 N/A LYS 19.A N GLU 15.A O no hydrogen 2.934 N/A VAL 20.A N ASP 16.A O no hydrogen 3.178 N/A TYR 21.A N PHE 17.A O no hydrogen 2.778 N/A TYR 21.A OH GLU 116.A OE1 no hydrogen 2.602 N/A ASN 22.A N GLN 18.A O no hydrogen 2.827 N/A ASN 22.A ND2 GLN 288.A OE1 no hydrogen 2.719 N/A ALA 23.A N LYS 19.A O no hydrogen 3.143 N/A ILE 24.A N VAL 20.A O no hydrogen 3.010 N/A ALA 25.A N TYR 21.A O no hydrogen 2.819 N/A LEU 26.A N ASN 22.A O no hydrogen 2.739 N/A LYS 27.A N ALA 23.A O no hydrogen 3.099 N/A LYS 27.A NZ ASP 31.A OD1 no hydrogen 2.745 N/A LEU 28.A N ILE 24.A O no hydrogen 2.869 N/A ARG 29.A N ALA 25.A O no hydrogen 3.060 N/A ARG 29.A NH1 LEU 290.A O no hydrogen 3.342 N/A ARG 29.A NH2 LEU 290.A O no hydrogen 2.718 N/A ARG 29.A NH2 LEU 290.A OXT no hydrogen 2.685 N/A GLU 30.A N LEU 26.A O no hydrogen 2.843 N/A ASP 31.A N LYS 27.A O no hydrogen 2.802 N/A ASN 36.A ND2 ASN 36.A O no hydrogen 3.141 N/A TYR 37.A N GLU 33.A O no hydrogen 2.830 N/A ILE 38.A N ASP 35.A O no hydrogen 3.108 N/A GLY 39.A N TYR 34.A O no hydrogen 2.992 N/A LEU 44.A N TYR 40.A O no hydrogen 3.085 N/A VAL 45.A N GLY 41.A O no hydrogen 3.081 N/A ARG 46.A N PRO 42.A O no hydrogen 2.905 N/A ARG 46.A NH1 ALA 81.A O no hydrogen 3.285 N/A ARG 46.A NH2 ALA 81.A O no hydrogen 2.902 N/A LEU 47.A N VAL 43.A O no hydrogen 2.702 N/A ALA 48.A N LEU 44.A O no hydrogen 2.870 N/A TRP 49.A N VAL 45.A O no hydrogen 2.999 N/A HIS 50.A N ARG 46.A O no hydrogen 2.778 N/A HIS 50.A ND1 ASN 80.A OD1 no hydrogen 2.795 N/A ILE 51.A N LEU 47.A O no hydrogen 2.915 N/A SER 52.A N ALA 48.A O no hydrogen 3.356 N/A SER 52.A N TRP 49.A O no hydrogen 3.034 N/A SER 52.A OG ALA 48.A O no hydrogen 2.941 N/A GLY 53.A N TRP 49.A O no hydrogen 2.641 N/A THR 54.A OG1 ILE 51.A O no hydrogen 3.461 N/A TRP 55.A N SER 52.A O no hydrogen 3.256 N/A TRP 55.A NE1 ASN 60.A OD1 no hydrogen 2.808 N/A ASP 56.A N THR 61.A O no hydrogen 2.837 N/A LYS 57.A N ARG 158.A O no hydrogen 3.100 N/A LYS 57.A NZ GLN 157.A O no hydrogen 2.964 N/A HIS 58.A N ASP 56.A OD1 no hydrogen 2.974 N/A HIS 58.A ND1 ASP 56.A OD1 no hydrogen 2.774 N/A ASP 59.A N ASP 56.A O no hydrogen 3.306 N/A ASN 60.A N ASP 56.A O no hydrogen 2.872 N/A ASN 60.A ND2 LEU 2.A O no hydrogen 2.626 N/A ASN 60.A ND2 GLY 269.A O no hydrogen 3.102 N/A THR 61.A N ASP 59.A OD1 no hydrogen 3.025 N/A THR 61.A OG1 ASP 59.A OD1 no hydrogen 2.477 N/A THR 61.A OG1 ASP 59.A OD2 no hydrogen 3.374 N/A GLY 63.A N THR 54.A OG1 no hydrogen 2.908 N/A SER 64.A OG LEU 266.A O no hydrogen 2.781 N/A TYR 65.A OH VAL 5.A O no hydrogen 2.824 N/A GLY 67.A N SER 64.A O no hydrogen 3.168 N/A THR 68.A OG1 GLU 74.A OE2 no hydrogen 2.806 N/A ARG 70.A N GLY 67.A O no hydrogen 3.470 N/A ARG 70.A NH1 GLY 66.A O no hydrogen 2.906 N/A ARG 70.A NH1 GLY 67.A O no hydrogen 2.909 N/A ARG 70.A NH1 THR 131.A O no hydrogen 3.523 N/A ARG 70.A NH2 THR 131.A O no hydrogen 2.824 N/A PHE 71.A N THR 68.A O no hydrogen 3.000 N/A LYS 73.A NZ THR 136.A O no hydrogen 2.956 N/A LYS 73.A NZ ASP 138.A OD1 no hydrogen 2.907 N/A PHE 75.A N PHE 71.A O no hydrogen 2.841 N/A ASN 76.A N LYS 72.A O no hydrogen 2.602 N/A ASP 77.A N GLU 74.A O no hydrogen 3.044 N/A SER 79.A N ASP 77.A OD1 no hydrogen 2.897 N/A SER 79.A OG ASP 77.A OD1 no hydrogen 3.401 N/A ASN 80.A N ASP 77.A O no hydrogen 2.740 N/A ASN 80.A ND2 GLU 74.A O no hydrogen 2.894 N/A ALA 81.A N PRO 78.A O no hydrogen 3.092 N/A GLY 82.A N GLN 84.A OE1 no hydrogen 2.954 N/A LEU 83.A N ASN 80.A O no hydrogen 3.059 N/A GLN 84.A N GLN 84.A OE1 no hydrogen 2.818 N/A ASN 85.A N GLY 82.A O no hydrogen 3.257 N/A GLY 86.A N LEU 83.A O no hydrogen 2.869 N/A PHE 87.A N LEU 83.A O no hydrogen 3.204 N/A LYS 88.A N GLN 84.A O no hydrogen 2.837 N/A PHE 89.A N ASN 85.A O no hydrogen 2.889 N/A LEU 90.A N GLY 86.A O no hydrogen 2.980 N/A GLU 91.A N LYS 88.A O no hydrogen 3.238 N/A HIS 94.A N LEU 90.A O no hydrogen 2.869 N/A HIS 94.A NE2 ILE 100.A O no hydrogen 2.659 N/A LYS 95.A N GLU 91.A O no hydrogen 2.987 N/A LYS 95.A NZ GLU 91.A O no hydrogen 3.286 N/A GLU 96.A N PRO 92.A O no hydrogen 2.961 N/A PHE 97.A N ILE 93.A O no hydrogen 2.887 N/A ILE 100.A N PHE 97.A O no hydrogen 3.239 N/A SER 101.A N GLU 9.A OE1 no hydrogen 3.189 N/A SER 101.A OG GLU 9.A OE1 no hydrogen 3.416 N/A SER 101.A OG ARG 128.A O no hydrogen 2.509 N/A SER 102.A N ASP 130.A OD2 no hydrogen 2.620 N/A SER 102.A OG ASP 130.A OD1 no hydrogen 3.065 N/A ASP 104.A N SER 101.A OG no hydrogen 3.208 N/A LEU 105.A N SER 101.A O no hydrogen 3.010 N/A PHE 106.A N SER 102.A O no hydrogen 2.760 N/A SER 107.A N GLY 103.A O no hydrogen 3.018 N/A SER 107.A OG GLY 103.A O no hydrogen 2.916 N/A SER 107.A OG ASP 104.A O no hydrogen 3.188 N/A LEU 108.A N ASP 104.A O no hydrogen 2.773 N/A GLY 109.A N LEU 105.A O no hydrogen 2.816 N/A GLY 110.A N PHE 106.A O no hydrogen 3.305 N/A VAL 111.A N SER 107.A O no hydrogen 3.104 N/A THR 112.A N LEU 108.A O no hydrogen 2.890 N/A THR 112.A OG1 LEU 108.A O no hydrogen 2.714 N/A ALA 113.A N GLY 109.A O no hydrogen 3.007 N/A VAL 114.A N GLY 110.A O no hydrogen 3.054 N/A GLN 115.A N VAL 111.A O no hydrogen 2.939 N/A GLN 115.A NE2 TYR 21.A OH no hydrogen 3.203 N/A GLN 115.A NE2 PHE 282.A O no hydrogen 2.912 N/A GLU 116.A N THR 112.A O no hydrogen 2.799 N/A MET 117.A N ALA 113.A O no hydrogen 2.899 N/A GLN 118.A N GLN 115.A O no hydrogen 3.009 N/A GLY 119.A N VAL 114.A O no hydrogen 2.948 N/A ILE 122.A N GLN 115.A OE1 no hydrogen 2.962 N/A TRP 124.A N PHE 280.A O no hydrogen 2.916 N/A TRP 124.A NE1 SER 107.A OG no hydrogen 2.986 N/A ARG 125.A NH2 PRO 277.A O no hydrogen 3.049 N/A GLY 127.A N ASP 104.A OD2 no hydrogen 2.870 N/A ARG 128.A N ASP 104.A OD1 no hydrogen 2.954 N/A ARG 128.A NE SER 64.A OG no hydrogen 2.967 N/A ARG 128.A NE LEU 266.A O no hydrogen 3.449 N/A ARG 128.A NH1 LEU 266.A O no hydrogen 2.884 N/A ARG 128.A NH2 ASP 104.A OD1 no hydrogen 2.904 N/A ARG 128.A NH2 ARG 125.A O no hydrogen 2.892 N/A THR 131.A N GLY 66.A O no hydrogen 3.003 N/A THR 131.A OG1 GLY 66.A O no hydrogen 3.523 N/A THR 131.A OG1 THR 135.A OG1 no hydrogen 2.755 N/A THR 135.A N PRO 132.A O no hydrogen 2.776 N/A THR 135.A OG1 THR 131.A OG1 no hydrogen 2.755 N/A THR 135.A OG1 PRO 132.A O no hydrogen 2.398 N/A THR 136.A N GLU 133.A O no hydrogen 3.245 N/A THR 136.A OG1 GLU 133.A O no hydrogen 2.746 N/A ARG 141.A NH1 THR 61.A OG1 no hydrogen 3.078 N/A ARG 141.A NH2 THR 54.A O no hydrogen 2.882 N/A ARG 141.A NH2 THR 61.A OG1 no hydrogen 2.839 N/A ASP 144.A N TYR 151.A OH no hydrogen 2.846 N/A LYS 147.A NZ ASP 144.A OD2 no hydrogen 2.962 N/A LYS 147.A NZ ASP 146.A OD1 no hydrogen 2.727 N/A TYR 151.A N ASP 148.A OD2 no hydrogen 3.107 N/A VAL 152.A N ASP 148.A O no hydrogen 3.083 N/A ARG 153.A N ALA 149.A O no hydrogen 2.789 N/A ARG 153.A NE ASP 163.A OD1 no hydrogen 2.708 N/A ARG 153.A NH1 ASP 163.A OD1 no hydrogen 3.395 N/A ARG 153.A NH1 ASP 163.A OD2 no hydrogen 3.150 N/A ARG 153.A NH1 ASP 237.A OD2 no hydrogen 2.968 N/A ARG 153.A NH2 ASP 237.A OD1 no hydrogen 2.948 N/A THR 154.A N GLY 150.A O no hydrogen 3.037 N/A THR 154.A OG1 GLY 150.A O no hydrogen 2.974 N/A PHE 155.A N TYR 151.A O no hydrogen 2.737 N/A PHE 156.A N VAL 152.A O no hydrogen 3.082 N/A GLN 157.A N ARG 153.A O no hydrogen 3.288 N/A GLN 157.A N THR 154.A O no hydrogen 3.156 N/A ARG 158.A N PHE 155.A O no hydrogen 3.157 N/A ARG 158.A NE TRP 55.A O no hydrogen 2.882 N/A ARG 158.A NH1 TRP 55.A O no hydrogen 2.859 N/A ARG 158.A NH1 ARG 141.A O no hydrogen 3.188 N/A ARG 158.A NH2 ARG 141.A O no hydrogen 2.953 N/A LEU 159.A N PHE 156.A O no hydrogen 2.994 N/A ASN 160.A N GLN 157.A O no hydrogen 2.952 N/A MET 161.A N PHE 156.A O no hydrogen 2.979 N/A ASN 162.A N GLU 165.A OE1 no hydrogen 2.887 N/A ARG 164.A NH1 GLU 246.A OE1 no hydrogen 2.732 N/A ARG 164.A NH1 GLU 246.A OE2 no hydrogen 3.409 N/A ARG 164.A NH1 ASP 257.A OD2 no hydrogen 3.026 N/A ARG 164.A NH2 GLU 246.A OE2 no hydrogen 2.915 N/A GLU 165.A N ASN 162.A OD1 no hydrogen 2.840 N/A VAL 166.A N ASN 162.A O no hydrogen 2.949 N/A VAL 167.A N ASP 163.A O no hydrogen 2.960 N/A ALA 168.A N ARG 164.A O no hydrogen 2.933 N/A LEU 169.A N GLU 165.A O no hydrogen 2.830 N/A MET 170.A N VAL 166.A O no hydrogen 2.942 N/A GLY 171.A N ALA 168.A O no hydrogen 3.016 N/A ALA 172.A N LEU 169.A O no hydrogen 3.076 N/A HIS 173.A N MET 170.A O no hydrogen 2.840 N/A HIS 173.A ND1 ASP 231.A OD1 no hydrogen 2.836 N/A ALA 174.A N GLY 171.A O no hydrogen 3.019 N/A LEU 175.A N ALA 172.A O no hydrogen 2.933 N/A GLY 176.A N ASN 191.A O no hydrogen 2.891 N/A LYS 177.A NZ ASP 35.A O no hydrogen 3.474 N/A LYS 177.A NZ ASP 35.A OD1 no hydrogen 3.085 N/A HIS 179.A NE2 ASP 35.A OD2 no hydrogen 2.658 N/A ASN 182.A N HIS 179.A O no hydrogen 2.689 N/A SER 183.A N HIS 179.A O no hydrogen 2.936 N/A SER 183.A OG HIS 179.A O no hydrogen 3.463 N/A GLY 184.A N LEU 180.A O no hydrogen 2.913 N/A GLU 186.A N GLN 218.A OE1 no hydrogen 2.850 N/A GLY 189.A N GLY 224.A O no hydrogen 2.911 N/A ASN 192.A ND2 ILE 38.A O no hydrogen 2.829 N/A PHE 194.A N MET 117.A O no hydrogen 2.775 N/A ASN 196.A ND2 TYR 247.A O no hydrogen 2.979 N/A GLU 197.A N THR 195.A OG1 no hydrogen 3.039 N/A TYR 199.A N ASN 196.A O no hydrogen 3.126 N/A TYR 199.A OH VAL 167.A O no hydrogen 2.611 N/A ASN 201.A N GLU 197.A O no hydrogen 2.864 N/A LEU 202.A N PHE 198.A O no hydrogen 3.132 N/A LEU 203.A N TYR 199.A O no hydrogen 3.044 N/A ASN 204.A N LEU 200.A O no hydrogen 2.697 N/A ASN 204.A N ASN 201.A O no hydrogen 3.243 N/A GLU 205.A N ASN 201.A O no hydrogen 2.889 N/A TRP 207.A NE1 LEU 202.A O no hydrogen 2.996 N/A LYS 208.A N ASP 220.A O no hydrogen 2.686 N/A LYS 208.A NZ GLU 210.A OE1 no hydrogen 3.179 N/A GLU 210.A N GLN 218.A O no hydrogen 2.931 N/A ASN 212.A N ASN 216.A O no hydrogen 2.791 N/A ASN 212.A ND2 GLY 184.A O no hydrogen 2.885 N/A ASN 212.A ND2 GLN 218.A OE1 no hydrogen 2.878 N/A ALA 214.A N ASN 212.A OD1 no hydrogen 2.768 N/A ASN 215.A N ASN 212.A O no hydrogen 2.711 N/A ASN 216.A N ASN 212.A OD1 no hydrogen 3.101 N/A GLN 218.A N GLU 210.A O no hydrogen 3.019 N/A GLN 218.A NE2 GLU 186.A O no hydrogen 3.146 N/A GLN 218.A NE2 ASP 220.A OD1 no hydrogen 2.724 N/A TRP 219.A N MET 227.A O no hydrogen 2.901 N/A ASP 220.A N LYS 208.A O no hydrogen 2.841 N/A SER 221.A N TYR 225.A O no hydrogen 2.944 N/A SER 221.A OG GLU 205.A OE1 no hydrogen 3.404 N/A SER 221.A OG SER 223.A OG no hydrogen 2.694 N/A SER 223.A OG GLU 205.A OE1 no hydrogen 2.298 N/A SER 223.A OG SER 221.A OG no hydrogen 2.694 N/A GLY 224.A N SER 221.A O no hydrogen 2.823 N/A TYR 225.A N SER 221.A OG no hydrogen 3.212 N/A MET 227.A N TRP 219.A O no hydrogen 2.664 N/A LEU 228.A N ASP 231.A OD2 no hydrogen 2.882 N/A THR 230.A N ALA 145.A O no hydrogen 3.086 N/A THR 230.A OG1 ALA 145.A O no hydrogen 3.388 N/A TYR 232.A N LEU 228.A O no hydrogen 2.903 N/A SER 233.A N PRO 229.A O no hydrogen 3.031 N/A SER 233.A OG THR 230.A O no hydrogen 3.007 N/A LEU 234.A N ASP 231.A O no hydrogen 2.979 N/A ILE 235.A N TYR 232.A O no hydrogen 2.864 N/A GLN 236.A N TYR 232.A O no hydrogen 3.265 N/A GLN 236.A N SER 233.A O no hydrogen 3.125 N/A ASP 237.A N SER 233.A O no hydrogen 3.032 N/A LYS 239.A N ASP 237.A OD2 no hydrogen 2.928 N/A TYR 240.A N ASP 237.A OD2 no hydrogen 2.992 N/A LEU 241.A N ASP 237.A O no hydrogen 2.809 N/A SER 242.A N PRO 238.A O no hydrogen 3.335 N/A SER 242.A OG PRO 238.A O no hydrogen 3.094 N/A ILE 243.A N TYR 240.A O no hydrogen 2.923 N/A VAL 244.A N TYR 240.A O no hydrogen 2.857 N/A LYS 245.A N LEU 241.A O no hydrogen 2.878 N/A GLU 246.A N SER 242.A O no hydrogen 3.084 N/A TYR 247.A N ILE 243.A O no hydrogen 2.922 N/A TYR 247.A OH ASP 257.A OD2 no hydrogen 2.429 N/A ALA 248.A N VAL 244.A O no hydrogen 2.942 N/A ASN 249.A N LYS 245.A O no hydrogen 3.247 N/A ASN 249.A N GLU 246.A O no hydrogen 3.191 N/A ASN 249.A ND2 LYS 245.A O no hydrogen 2.818 N/A ASP 250.A N TYR 247.A O no hydrogen 3.254 N/A LYS 253.A N ASP 250.A OD1 no hydrogen 3.143 N/A LYS 253.A NZ ASP 257.A OD1 no hydrogen 3.030 N/A LYS 253.A NZ ASP 257.A OD2 no hydrogen 2.974 N/A PHE 254.A N ASP 250.A O no hydrogen 3.061 N/A PHE 255.A N GLN 251.A O no hydrogen 3.008 N/A LYS 256.A N ASP 252.A O no hydrogen 2.941 N/A ASP 257.A N LYS 253.A O no hydrogen 2.880 N/A PHE 258.A N PHE 254.A O no hydrogen 2.663 N/A SER 259.A N PHE 255.A O no hydrogen 2.898 N/A SER 259.A OG LYS 121.A O no hydrogen 2.551 N/A LYS 260.A N LYS 256.A O no hydrogen 3.233 N/A LYS 260.A NZ ASP 257.A OD1 no hydrogen 2.926 N/A ALA 261.A N ASP 257.A O no hydrogen 3.011 N/A PHE 262.A N PHE 258.A O no hydrogen 2.776 N/A GLU 263.A N SER 259.A O no hydrogen 2.965 N/A LYS 264.A N LYS 260.A O no hydrogen 2.875 N/A LYS 264.A NZ ASN 160.A O no hydrogen 2.855 N/A LYS 264.A NZ GLU 165.A OE1 no hydrogen 3.213 N/A LYS 264.A NZ GLU 165.A OE2 no hydrogen 2.805 N/A LEU 265.A N ALA 261.A O no hydrogen 2.831 N/A LEU 266.A N PHE 262.A O no hydrogen 3.060 N/A GLU 267.A N LYS 264.A O no hydrogen 2.948 N/A ASN 268.A N LEU 265.A O no hydrogen 3.448 N/A ASN 268.A ND2 LEU 159.A O no hydrogen 3.148 N/A ILE 270.A N GLU 267.A O no hydrogen 3.087 N/A THR 271.A N HIS 4.A O no hydrogen 2.773 N/A ALA 276.A N PRO 273.A O no hydrogen 2.903 N/A PHE 280.A N TRP 124.A O no hydrogen 2.706 N/A THR 284.A N GLU 287.A OE2 no hydrogen 2.837 N/A LEU 285.A N GLU 116.A OE1 no hydrogen 3.167 N/A GLU 287.A N THR 284.A OG1 no hydrogen 2.885 N/A GLN 288.A N THR 284.A O no hydrogen 3.094 N/A GLN 288.A N LEU 285.A O no hydrogen 2.897 N/A GLN 288.A NE2 ASN 22.A OD1 no hydrogen 3.000 N/A GLY 289.A N GLU 286.A O no hydrogen 3.266 N/A LEU 290.A N LEU 285.A O no hydrogen 2.903 N/A