Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4k4i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A N ASN 2.A OD1 no hydrogen 2.992 N/A HIS 6.A NE2 GLY 71.A O no hydrogen 3.129 N/A THR 8.A N ASN 4.A O no hydrogen 3.016 N/A THR 8.A OG1 ASN 4.A O no hydrogen 3.277 N/A THR 8.A OG1 LEU 5.A O no hydrogen 2.767 N/A GLU 9.A N LEU 5.A O no hydrogen 3.297 N/A LEU 11.A N ILE 7.A O no hydrogen 3.225 N/A GLU 12.A N THR 8.A O no hydrogen 2.708 N/A VAL 13.A N GLU 9.A O no hydrogen 3.231 N/A LEU 14.A N LYS 10.A O no hydrogen 3.174 N/A ALA 15.A N LEU 11.A O no hydrogen 2.750 N/A LYS 16.A N GLU 12.A O no hydrogen 2.790 N/A ALA 17.A N VAL 13.A O no hydrogen 3.117 N/A TYR 18.A N LEU 14.A O no hydrogen 3.317 N/A SER 19.A N ALA 15.A O no hydrogen 2.994 N/A VAL 20.A N LYS 16.A O no hydrogen 3.022 N/A GLY 22.A N SER 19.A O no hydrogen 2.878 N/A ASP 23.A N TYR 18.A O no hydrogen 2.895 N/A ARG 26.A NH1 ASP 23.A OD2 no hydrogen 2.567 N/A ALA 27.A N ASP 23.A O no hydrogen 3.030 N/A LEU 28.A N LYS 24.A O no hydrogen 2.672 N/A GLY 29.A N TRP 25.A O no hydrogen 2.925 N/A TYR 30.A N ARG 26.A O no hydrogen 3.098 N/A ALA 31.A N ALA 27.A O no hydrogen 3.041 N/A LYS 32.A N LEU 28.A O no hydrogen 3.126 N/A ALA 33.A N GLY 29.A O no hydrogen 3.078 N/A ILE 34.A N TYR 30.A O no hydrogen 2.864 N/A ASN 35.A N ALA 31.A O no hydrogen 3.012 N/A ALA 36.A N LYS 32.A O no hydrogen 2.923 N/A LEU 37.A N ALA 33.A O no hydrogen 2.982 N/A LYS 38.A N ILE 34.A O no hydrogen 3.061 N/A LYS 38.A NZ GLU 12.A OE2 no hydrogen 3.287 N/A SER 39.A N ASN 35.A O no hydrogen 2.915 N/A SER 39.A N ALA 36.A O no hydrogen 3.061 N/A SER 39.A OG ASN 35.A O no hydrogen 3.039 N/A PHE 40.A N LEU 37.A O no hydrogen 3.285 N/A LYS 42.A NZ PRO 43.A O no hydrogen 2.940 N/A LYS 42.A NZ THR 45.A OG1 no hydrogen 2.841 N/A LYS 42.A NZ GLU 49.A OE2 no hydrogen 2.372 N/A THR 45.A N GLU 49.A OE1 no hydrogen 2.748 N/A THR 45.A OG1 GLU 49.A OE1 no hydrogen 3.098 N/A GLU 49.A N SER 46.A OG no hydrogen 3.064 N/A ALA 50.A N SER 46.A O no hydrogen 3.241 N/A CYS 51.A N TYR 47.A O no hydrogen 2.943 N/A CYS 51.A SG TYR 47.A O no hydrogen 3.749 N/A SER 52.A N GLN 48.A O no hydrogen 3.068 N/A SER 52.A OG GLU 49.A O no hydrogen 2.519 N/A ILE 53.A N ALA 50.A O no hydrogen 2.984 N/A ILE 56.A N ILE 53.A O no hydrogen 2.995 N/A LYS 58.A NZ GLU 62.A OE2 no hydrogen 2.663 N/A ALA 61.A N GLY 57.A O no hydrogen 2.777 N/A GLU 62.A N LYS 58.A O no hydrogen 2.823 N/A LYS 63.A N ARG 59.A O no hydrogen 3.255 N/A LYS 63.A NZ TYR 30.A OH no hydrogen 3.520 N/A ILE 64.A N MET 60.A O no hydrogen 2.753 N/A ILE 65.A N ALA 61.A O no hydrogen 2.762 N/A GLU 66.A N GLU 62.A O no hydrogen 2.901 N/A ILE 67.A N LYS 63.A O no hydrogen 2.994 N/A LEU 68.A N ILE 64.A O no hydrogen 3.038 N/A GLU 69.A N ILE 65.A O no hydrogen 2.616 N/A SER 70.A N GLU 66.A O no hydrogen 2.873 N/A SER 70.A OG GLU 66.A O no hydrogen 2.702 N/A SER 70.A OG HIS 72.A O no hydrogen 3.444 N/A GLY 71.A N ILE 67.A O no hydrogen 2.558 N/A ARG 74.A N GLU 66.A OE2 no hydrogen 3.035 N/A ARG 74.A NH1 GLU 66.A OE1 no hydrogen 3.037 N/A LYS 75.A NZ TYR 18.A OH no hydrogen 3.171 N/A LEU 76.A N LEU 73.A O no hydrogen 3.142 N/A ASP 77.A N ARG 74.A O no hydrogen 2.999 N/A HIS 78.A N LYS 75.A O no hydrogen 2.901 N/A SER 80.A OG SER 82.A OG no hydrogen 3.006 N/A SER 82.A N SER 80.A OG no hydrogen 3.388 N/A SER 82.A OG SER 80.A OG no hydrogen 3.006 N/A VAL 83.A N SER 80.A O no hydrogen 3.331 N/A LEU 86.A N SER 82.A O no hydrogen 2.872 N/A GLU 87.A N VAL 83.A O no hydrogen 2.816 N/A LEU 88.A N PRO 84.A O no hydrogen 2.962 N/A PHE 89.A N VAL 85.A O no hydrogen 2.926 N/A SER 90.A N LEU 86.A O no hydrogen 3.099 N/A ASN 91.A N GLU 87.A O no hydrogen 3.003 N/A ASN 91.A N LEU 88.A O no hydrogen 3.252 N/A ILE 92.A N PHE 89.A O no hydrogen 2.875 N/A ALA 95.A N ILE 92.A O no hydrogen 2.845 N/A THR 99.A N GLY 96.A O no hydrogen 3.204 N/A ALA 100.A N GLY 96.A O no hydrogen 2.944 N/A GLN 101.A N THR 97.A O no hydrogen 2.904 N/A MET 102.A N LYS 98.A O no hydrogen 3.022 N/A TRP 103.A N THR 99.A O no hydrogen 2.942 N/A TYR 104.A N ALA 100.A O no hydrogen 3.094 N/A GLN 105.A N GLN 101.A O no hydrogen 3.081 N/A GLY 107.A N TYR 104.A O no hydrogen 2.962 N/A PHE 108.A N TRP 103.A O no hydrogen 3.098 N/A ARG 109.A N ASP 113.A OD2 no hydrogen 3.008 N/A ARG 109.A NH1 TYR 104.A O no hydrogen 2.655 N/A ARG 109.A NH1 PHE 108.A O no hydrogen 2.879 N/A SER 110.A N ASP 113.A OD2 no hydrogen 3.195 N/A SER 110.A OG ASP 113.A OD2 no hydrogen 2.662 N/A ASP 113.A N SER 110.A OG no hydrogen 2.929 N/A ILE 114.A N SER 110.A O no hydrogen 3.339 N/A ARG 115.A N LEU 111.A O no hydrogen 2.750 N/A SER 116.A N GLU 112.A O no hydrogen 2.833 N/A SER 116.A OG GLU 112.A O no hydrogen 2.854 N/A GLN 117.A N ASP 113.A O no hydrogen 2.873 N/A ALA 118.A N ILE 114.A O no hydrogen 3.018 N/A GLN 124.A N THR 121.A OG1 no hydrogen 3.185 N/A ALA 125.A N THR 121.A O no hydrogen 2.922 N/A ILE 126.A N THR 122.A O no hydrogen 3.327 N/A GLY 127.A N GLN 123.A O no hydrogen 2.866 N/A LEU 128.A N GLN 124.A O no hydrogen 2.652 N/A LYS 129.A N ALA 125.A O no hydrogen 3.026 N/A LYS 129.A NZ ASP 210.A OD1 no hydrogen 3.004 N/A HIS 130.A N ILE 126.A O no hydrogen 3.153 N/A HIS 130.A NE2 ASP 210.A OD2 no hydrogen 3.068 N/A TYR 131.A N LEU 128.A O no hydrogen 3.084 N/A TYR 131.A OH LEU 88.A O no hydrogen 3.384 N/A PHE 134.A N HIS 130.A O no hydrogen 2.886 N/A LEU 135.A N TYR 131.A O no hydrogen 3.156 N/A GLU 136.A N SER 132.A O no hydrogen 3.316 N/A GLU 136.A N ASP 133.A O no hydrogen 3.221 N/A ARG 137.A NE THR 175.A OG1 no hydrogen 2.790 N/A ARG 137.A NH2 THR 175.A O no hydrogen 2.922 N/A MET 138.A N CYS 176.A O no hydrogen 2.909 N/A ARG 140.A N ALA 174.A O no hydrogen 2.748 N/A ARG 140.A NH1 TYR 169.A O no hydrogen 2.898 N/A ARG 140.A NH1 LYS 173.A O no hydrogen 3.011 N/A ARG 140.A NH2 TYR 169.A O no hydrogen 3.395 N/A GLU 141.A N GLU 141.A OE1 no hydrogen 2.826 N/A ALA 143.A N PRO 139.A O no hydrogen 3.428 N/A THR 144.A N ARG 140.A O no hydrogen 3.093 N/A THR 144.A OG1 ARG 140.A O no hydrogen 3.163 N/A THR 144.A OG1 TYR 169.A OH no hydrogen 2.706 N/A GLU 145.A N GLU 141.A O no hydrogen 3.308 N/A ILE 146.A N GLU 142.A O no hydrogen 2.892 N/A GLU 147.A N ALA 143.A O no hydrogen 3.023 N/A GLN 148.A N THR 144.A O no hydrogen 2.967 N/A THR 149.A N GLU 145.A O no hydrogen 2.923 N/A THR 149.A OG1 GLU 145.A O no hydrogen 2.416 N/A VAL 150.A N ILE 146.A O no hydrogen 3.118 N/A GLN 151.A N GLU 147.A O no hydrogen 2.910 N/A LYS 152.A N GLN 148.A O no hydrogen 2.883 N/A ALA 153.A N THR 149.A O no hydrogen 3.153 N/A ALA 154.A N VAL 150.A O no hydrogen 2.910 N/A GLN 155.A N GLN 151.A O no hydrogen 2.732 N/A ALA 156.A N LYS 152.A O no hydrogen 2.905 N/A PHE 157.A N ALA 154.A O no hydrogen 2.744 N/A ASN 158.A N ALA 154.A O no hydrogen 3.146 N/A GLY 160.A N ASN 158.A OD1 no hydrogen 2.716 N/A LEU 161.A N ASN 158.A O no hydrogen 3.018 N/A LEU 162.A N THR 184.A O no hydrogen 2.886 N/A VAL 164.A N LEU 182.A O no hydrogen 2.911 N/A CYS 166.A N ASP 180.A O no hydrogen 2.747 N/A CYS 166.A SG VAL 164.A O no hydrogen 3.629 N/A GLY 167.A N PHE 257.A O no hydrogen 2.847 N/A TYR 169.A OH THR 144.A OG1 no hydrogen 2.706 N/A ARG 170.A N CYS 166.A O no hydrogen 3.238 N/A ARG 170.A NH1 THR 258.A OG1 no hydrogen 2.684 N/A ARG 170.A NH1 GLU 307.A OE1 no hydrogen 3.546 N/A ARG 170.A NH1 GLU 307.A OE2 no hydrogen 3.104 N/A ARG 170.A NH2 GLU 307.A OE1 no hydrogen 3.098 N/A ARG 171.A N GLY 167.A O no hydrogen 3.105 N/A ARG 171.A NH1 THR 258.A O no hydrogen 2.779 N/A GLY 172.A N TYR 169.A O no hydrogen 2.992 N/A LYS 173.A N SER 168.A O no hydrogen 3.074 N/A CYS 176.A N MET 138.A O no hydrogen 2.794 N/A CYS 176.A SG SER 168.A OG no hydrogen 3.506 N/A VAL 179.A N ARG 239.A O no hydrogen 3.192 N/A VAL 181.A N ASP 241.A O no hydrogen 2.693 N/A LEU 182.A N VAL 164.A O no hydrogen 2.884 N/A ILE 183.A N ILE 243.A O no hydrogen 2.806 N/A THR 184.A N LEU 162.A O no hydrogen 2.878 N/A THR 184.A OG1 VAL 245.A O no hydrogen 2.739 N/A ASP 187.A N HIS 185.A ND1 no hydrogen 3.214 N/A GLY 188.A N HIS 185.A O no hydrogen 3.271 N/A ARG 189.A N ASP 187.A OD1 no hydrogen 2.576 N/A SER 190.A N ASP 187.A OD1 no hydrogen 2.863 N/A SER 190.A OG ASP 187.A OD1 no hydrogen 3.161 N/A SER 190.A OG ASP 187.A OD2 no hydrogen 2.406 N/A ARG 192.A N ARG 189.A O no hydrogen 3.136 N/A LEU 198.A N ILE 194.A O no hydrogen 2.851 N/A LEU 199.A N PHE 195.A O no hydrogen 2.954 N/A ASP 200.A N SER 196.A O no hydrogen 3.237 N/A SER 201.A N ARG 197.A O no hydrogen 2.837 N/A SER 201.A OG.A ARG 197.A O no hydrogen 3.106 N/A SER 201.A OG.A LEU 198.A O no hydrogen 2.675 N/A LEU 202.A N LEU 198.A O no hydrogen 2.882 N/A ARG 203.A N LEU 199.A O no hydrogen 2.843 N/A ARG 203.A NH1 GLU 216.A OE1 no hydrogen 3.050 N/A ARG 203.A NH2 ASP 211.A OD2 no hydrogen 2.781 N/A ARG 203.A NH2 GLU 216.A OE1 no hydrogen 3.253 N/A ARG 203.A NH2 GLU 216.A OE2 no hydrogen 2.960 N/A GLN 204.A N ASP 200.A O no hydrogen 3.110 N/A GLN 204.A N SER 201.A O no hydrogen 3.161 N/A GLU 205.A N SER 201.A O no hydrogen 3.474 N/A GLY 206.A N ARG 203.A O no hydrogen 3.048 N/A LEU 208.A N LEU 202.A O no hydrogen 3.270 N/A THR 209.A N VAL 227.A O no hydrogen 2.903 N/A THR 209.A OG1 ASP 210.A OD2 no hydrogen 3.195 N/A THR 209.A OG1 VAL 227.A O no hydrogen 3.398 N/A LEU 212.A N LEU 225.A O no hydrogen 2.886 N/A VAL 213.A N LEU 225.A O no hydrogen 2.973 N/A SER 214.A OG GLU 216.A OE2 no hydrogen 2.565 N/A ASN 218.A N GLN 215.A O no hydrogen 3.138 N/A GLN 220.A N ASN 218.A OD1 no hydrogen 2.782 N/A GLN 221.A N ASN 218.A O no hydrogen 2.969 N/A GLN 221.A NE2 SER 214.A OG no hydrogen 3.093 N/A GLN 221.A NE2 LYS 223.A O no hydrogen 3.088 N/A TYR 224.A N ILE 242.A O no hydrogen 2.871 N/A TYR 224.A OH ASP 211.A OD1 no hydrogen 2.547 N/A LEU 225.A N VAL 213.A O no hydrogen 2.866 N/A GLY 226.A N LEU 240.A O no hydrogen 2.830 N/A VAL 227.A N ASP 210.A O no hydrogen 3.005 N/A CYS 228.A N ARG 238.A O no hydrogen 2.802 N/A CYS 228.A SG ARG 238.A O no hydrogen 3.829 N/A ARG 229.A N PHE 207.A O no hydrogen 2.930 N/A ARG 235.A NH2 GLU 145.A OE2 no hydrogen 2.901 N/A ARG 236.A NH1 ASP 133.A OD1 no hydrogen 2.773 N/A HIS 237.A N ASP 133.A OD2 no hydrogen 2.883 N/A HIS 237.A ND1 ASP 133.A OD2 no hydrogen 3.236 N/A ARG 238.A N CYS 228.A O no hydrogen 2.722 N/A ARG 238.A NE GLU 142.A OE2 no hydrogen 2.804 N/A ARG 238.A NH2 GLU 142.A OE1 no hydrogen 2.449 N/A ARG 238.A NH2 GLU 142.A OE2 no hydrogen 3.238 N/A ARG 239.A NH1 GLY 226.A O no hydrogen 2.905 N/A ARG 239.A NH1 LEU 240.A O no hydrogen 3.081 N/A ARG 239.A NH1 ASP 241.A OD1 no hydrogen 2.784 N/A ARG 239.A NH2 ASP 241.A OD1 no hydrogen 2.734 N/A ARG 239.A NH2 ASP 241.A OD2 no hydrogen 3.522 N/A LEU 240.A N GLY 226.A O no hydrogen 2.970 N/A ASP 241.A N VAL 179.A O no hydrogen 2.893 N/A ILE 242.A N TYR 224.A O no hydrogen 2.806 N/A ILE 243.A N VAL 181.A O no hydrogen 2.901 N/A VAL 244.A N GLN 222.A O no hydrogen 3.255 N/A VAL 245.A N ILE 183.A O no hydrogen 2.946 N/A GLU 249.A N PRO 246.A O no hydrogen 2.761 N/A PHE 250.A N TYR 247.A O no hydrogen 2.930 N/A CYS 252.A SG THR 304.A OG1 no hydrogen 3.611 N/A ALA 253.A N GLU 249.A O no hydrogen 2.925 N/A LEU 254.A N PHE 250.A O no hydrogen 2.768 N/A LEU 255.A N ALA 251.A O no hydrogen 2.986 N/A TYR 256.A N CYS 252.A O no hydrogen 3.093 N/A PHE 257.A N ALA 253.A O no hydrogen 2.895 N/A THR 258.A N LEU 254.A O no hydrogen 2.833 N/A THR 258.A OG1 LEU 254.A O no hydrogen 2.740 N/A GLY 259.A N LEU 255.A O no hydrogen 3.130 N/A GLY 259.A N TYR 256.A O no hydrogen 3.148 N/A SER 260.A N ARG 324.A O no hydrogen 3.072 N/A SER 260.A OG ARG 324.A O no hydrogen 3.254 N/A SER 260.A OG ASP 325.A O no hydrogen 2.706 N/A PHE 263.A N SER 260.A OG no hydrogen 3.066 N/A ASN 264.A N SER 260.A O no hydrogen 2.752 N/A ASN 264.A ND2 TYR 256.A O no hydrogen 2.905 N/A ARG 265.A N ALA 261.A O no hydrogen 2.937 N/A SER 266.A N HIS 262.A O no hydrogen 3.124 N/A SER 266.A OG HIS 262.A O no hydrogen 3.253 N/A SER 266.A OG GLU 328.A OE1 no hydrogen 2.975 N/A SER 266.A OG GLU 328.A OE2 no hydrogen 3.514 N/A MET 267.A N PHE 263.A O no hydrogen 2.955 N/A ARG 268.A N ASN 264.A O no hydrogen 2.946 N/A ARG 268.A NH1 GLU 280.A OE1 no hydrogen 3.187 N/A ARG 268.A NH2 GLU 280.A OE1 no hydrogen 3.244 N/A ALA 269.A N ARG 265.A O no hydrogen 2.766 N/A LEU 270.A N SER 266.A O no hydrogen 2.850 N/A ALA 271.A N MET 267.A O no hydrogen 2.991 N/A LYS 272.A N ARG 268.A O no hydrogen 3.112 N/A THR 273.A N ALA 269.A O no hydrogen 3.203 N/A THR 273.A OG1 LEU 270.A O no hydrogen 2.440 N/A LYS 274.A N LEU 270.A O no hydrogen 3.237 N/A LYS 274.A N ALA 271.A O no hydrogen 3.058 N/A GLY 275.A N LYS 272.A O no hydrogen 3.130 N/A MET 276.A N ALA 271.A O no hydrogen 2.829 N/A SER 277.A N SER 284.A O no hydrogen 2.609 N/A SER 279.A N ALA 282.A O no hydrogen 2.819 N/A GLU 280.A N GLU 280.A OE1 no hydrogen 3.046 N/A HIS 281.A N SER 279.A OG no hydrogen 2.997 N/A HIS 281.A ND1 GLU 249.A OE1 no hydrogen 2.818 N/A ALA 282.A N SER 279.A OG no hydrogen 3.286 N/A SER 284.A N SER 277.A O no hydrogen 2.840 N/A VAL 287.A N GLY 297.A O no hydrogen 3.353 N/A ASN 290.A N GLY 293.A O no hydrogen 3.095 N/A ASN 290.A ND2 CYS 294.A O no hydrogen 3.085 N/A LYS 295.A NZ ARG 289.A O no hydrogen 3.113 N/A LYS 295.A NZ ASN 290.A OD1 no hydrogen 3.148 N/A LEU 302.A N LEU 283.A O no hydrogen 2.798 N/A THR 304.A OG1 THR 304.A O no hydrogen 2.645 N/A THR 306.A N ASP 309.A OD2 no hydrogen 2.866 N/A THR 306.A OG1 ASP 309.A OD2 no hydrogen 2.977 N/A ASP 309.A N THR 306.A O no hydrogen 3.114 N/A PHE 311.A N GLU 307.A O no hydrogen 3.184 N/A ARG 312.A N LYS 308.A O no hydrogen 2.891 N/A ARG 312.A NH2 ASP 309.A OD1 no hydrogen 2.439 N/A LEU 313.A N ASP 309.A O no hydrogen 2.969 N/A LEU 314.A N PHE 311.A O no hydrogen 2.911 N/A GLY 315.A N ARG 312.A O no hydrogen 2.785 N/A LEU 316.A N PHE 311.A O no hydrogen 2.861 N/A TYR 318.A OH GLU 307.A OE1 no hydrogen 3.320 N/A ARG 319.A NH1 GLU 323.A O no hydrogen 2.880 N/A ARG 319.A NH1 TRP 326.A O no hydrogen 3.188 N/A ARG 319.A NH2 LEU 327.A O no hydrogen 2.870 N/A GLU 323.A N GLU 320.A O no hydrogen 2.709 N/A ARG 324.A N PRO 321.A O no hydrogen 3.090 N/A ARG 324.A NE ARG 319.A O no hydrogen 2.878 N/A ARG 324.A NH1 GLU 307.A OE2 no hydrogen 2.894 N/A ARG 324.A NH2 GLU 307.A OE1 no hydrogen 3.054 N/A ARG 324.A NH2 GLU 307.A OE2 no hydrogen 3.478 N/A ARG 324.A NH2 ARG 319.A O no hydrogen 2.893 N/A