Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k3o_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NH2 ASP 204.A OD2 no hydrogen 3.161 N/A ASP 7.A N CYS 209.A O no hydrogen 3.157 N/A VAL 12.A N SER 9.A O no hydrogen 3.062 N/A ILE 13.A N SER 9.A O no hydrogen 2.944 N/A LEU 14.A N PRO 34.A O no hydrogen 3.112 N/A THR 17.A N GLN 20.A OE1 no hydrogen 2.809 N/A LEU 21.A N GLY 18.A O no hydrogen 3.230 N/A GLU 24.A N GLU 24.A OE1 no hydrogen 2.683 N/A PHE 25.A N THR 22.A OG1 no hydrogen 3.221 N/A LEU 26.A N THR 22.A O no hydrogen 3.078 N/A GLU 27.A N VAL 23.A O no hydrogen 2.724 N/A GLU 28.A N GLU 24.A O no hydrogen 2.915 N/A ASN 29.A N LEU 26.A O no hydrogen 3.185 N/A PHE 31.A N LEU 26.A O no hydrogen 3.219 N/A PHE 31.A N ASN 29.A OD1 no hydrogen 2.629 N/A SER 32.A OG ASN 29.A O no hydrogen 3.283 N/A ILE 35.A N PHE 221.A O no hydrogen 2.871 N/A LEU 36.A N LEU 14.A O no hydrogen 2.808 N/A VAL 37.A N THR 219.A O no hydrogen 2.825 N/A LEU 43.A N LYS 40.A O no hydrogen 3.046 N/A THR 46.A N GLU 114.A O no hydrogen 3.181 N/A SER 49.A OG SER 51.A OG no hydrogen 3.018 N/A SER 51.A N SER 49.A OG no hydrogen 2.980 N/A SER 51.A OG SER 49.A OG no hydrogen 3.018 N/A PHE 52.A N SER 49.A O no hydrogen 2.807 N/A ARG 55.A N TYR 89.A OH no hydrogen 3.411 N/A VAL 57.A N THR 53.A O no hydrogen 3.250 N/A GLU 58.A N VAL 54.A O no hydrogen 3.207 N/A TYR 60.A N ASP 56.A O no hydrogen 3.185 N/A VAL 61.A N VAL 57.A O no hydrogen 3.047 N/A GLY 62.A N GLU 58.A O no hydrogen 2.955 N/A ILE 66.A N MET 79.A O no hydrogen 3.017 N/A VAL 68.A N CYS 77.A O no hydrogen 2.849 N/A ILE 69.A N ASN 98.A O no hydrogen 2.780 N/A ASP 70.A N ALA 75.A O no hydrogen 2.796 N/A VAL 71.A N VAL 96.A O no hydrogen 3.015 N/A GLN 74.A N VAL 71.A O no hydrogen 2.954 N/A ALA 75.A N ASP 70.A O no hydrogen 3.115 N/A CYS 77.A N VAL 68.A O no hydrogen 2.997 N/A CYS 77.A SG VAL 68.A O no hydrogen 3.842 N/A MET 79.A N ILE 66.A O no hydrogen 3.221 N/A LEU 81.A N LYS 64.A O no hydrogen 3.170 N/A PHE 84.A N LYS 80.A O no hydrogen 3.182 N/A VAL 85.A N LEU 81.A O no hydrogen 2.809 N/A LYS 86.A N GLY 82.A O no hydrogen 3.003 N/A TYR 87.A N ASP 83.A O no hydrogen 2.978 N/A TYR 87.A OH LYS 95.A O no hydrogen 2.545 N/A TYR 88.A N PHE 84.A O no hydrogen 2.715 N/A TYR 88.A OH CYS 236.A O no hydrogen 3.320 N/A TYR 89.A N VAL 85.A O no hydrogen 3.083 N/A SER 90.A N TYR 87.A O no hydrogen 3.184 N/A LYS 92.A N SER 90.A OG no hydrogen 3.155 N/A ARG 93.A NH1 ASP 235.A OD1 no hydrogen 3.035 N/A ARG 93.A NH1 ASP 235.A OD2 no hydrogen 3.227 N/A ARG 93.A NH2 TYR 88.A O no hydrogen 2.618 N/A ARG 93.A NH2 ASP 235.A OD2 no hydrogen 2.589 N/A VAL 96.A N THR 72.A OG1 no hydrogen 3.369 N/A LEU 97.A N TYR 87.A OH no hydrogen 2.746 N/A ASN 98.A N ILE 69.A O no hydrogen 2.853 N/A VAL 99.A N MET 146.A O no hydrogen 3.039 N/A PHE 104.A N LYS 142.A O no hydrogen 2.948 N/A SER 105.A N GLU 103.A OE2 no hydrogen 2.441 N/A SER 105.A OG GLU 103.A OE2 no hydrogen 2.637 N/A THR 107.A N PHE 104.A O no hydrogen 3.107 N/A THR 107.A OG1 PHE 104.A O no hydrogen 2.768 N/A SER 110.A N THR 107.A O no hydrogen 3.229 N/A SER 110.A OG SER 105.A O no hydrogen 3.018 N/A LEU 112.A N LEU 109.A O no hydrogen 2.978 N/A GLU 114.A N THR 46.A O no hydrogen 2.780 N/A LYS 117.A N LEU 43.A O no hydrogen 2.863 N/A ARG 120.A N PRO 116.A O no hydrogen 3.366 N/A LYS 121.A N LYS 117.A O no hydrogen 3.045 N/A LEU 122.A N ILE 118.A O no hydrogen 3.017 N/A SER 123.A N VAL 119.A O no hydrogen 2.794 N/A TRP 124.A N LEU 244.A O no hydrogen 2.950 N/A TRP 124.A NE1 SER 246.A OG no hydrogen 2.794 N/A GLU 126.A N SER 123.A OG no hydrogen 3.151 N/A ASN 127.A N SER 123.A O no hydrogen 3.151 N/A ASN 127.A ND2 ARG 120.A O no hydrogen 2.799 N/A ASN 127.A ND2 SER 123.A O no hydrogen 2.818 N/A LEU 128.A N TRP 124.A O no hydrogen 2.705 N/A TRP 129.A N VAL 125.A O no hydrogen 3.204 N/A CYS 133.A SG PHE 135.A O no hydrogen 3.806 N/A GLN 141.A NE2 PRO 138.A O no hydrogen 3.344 N/A LYS 142.A N GLU 103.A OE1 no hydrogen 3.416 N/A LYS 142.A NZ SER 110.A O no hydrogen 2.795 N/A LYS 142.A NZ SER 110.A OG no hydrogen 3.131 N/A LYS 142.A NZ VAL 113.A O no hydrogen 2.934 N/A TYR 143.A N GLY 240.A O no hydrogen 2.700 N/A CYS 144.A N LEU 102.A O no hydrogen 2.904 N/A LEU 145.A N ALA 238.A O no hydrogen 2.793 N/A MET 146.A N VAL 99.A O no hydrogen 2.880 N/A SER 147.A N CYS 236.A O no hydrogen 3.000 N/A SER 147.A OG ASN 98.A OD1 no hydrogen 2.788 N/A ARG 149.A N ASP 235.A OD1 no hydrogen 2.718 N/A ASP 150.A N THR 232.A O no hydrogen 2.712 N/A SER 151.A N VAL 148.A O no hydrogen 3.071 N/A SER 151.A OG VAL 148.A O no hydrogen 3.194 N/A TYR 152.A OH ASP 154.A OD1 no hydrogen 2.954 N/A THR 153.A N VAL 230.A O no hydrogen 2.959 N/A PHE 155.A N ASP 154.A OD1 no hydrogen 2.901 N/A HIS 156.A N HIS 228.A O no hydrogen 3.071 N/A HIS 156.A ND1 ASP 154.A O no hydrogen 3.006 N/A GLY 160.A N GLU 259.A OE1 no hydrogen 3.402 N/A GLY 160.A N GLU 259.A OE2 no hydrogen 3.205 N/A GLY 161.A N ASP 158.A O no hydrogen 3.230 N/A THR 162.A N PHE 159.A O no hydrogen 3.047 N/A THR 162.A OG1 PHE 159.A O no hydrogen 2.800 N/A THR 162.A OG1 ASN 242.A OD1 no hydrogen 2.956 N/A SER 163.A N PHE 243.A O no hydrogen 2.894 N/A SER 163.A OG HIS 245.A NE2 no hydrogen 2.887 N/A VAL 164.A N ILE 222.A O no hydrogen 3.020 N/A TRP 165.A N GLY 241.A O no hydrogen 3.226 N/A TYR 166.A N LEU 220.A O no hydrogen 2.830 N/A HIS 167.A N PHE 239.A O no hydrogen 2.704 N/A HIS 167.A ND1 THR 219.A OG1 no hydrogen 2.692 N/A VAL 168.A N GLN 218.A O no hydrogen 3.212 N/A LEU 169.A N LEU 237.A O no hydrogen 2.905 N/A LYS 170.A N LEU 237.A O no hydrogen 3.138 N/A LYS 173.A N VAL 214.A O no hydrogen 3.041 N/A LYS 173.A NZ SER 147.A OG no hydrogen 2.686 N/A LYS 173.A NZ THR 232.A OG1 no hydrogen 2.998 N/A ILE 174.A N LEU 231.A O no hydrogen 2.750 N/A PHE 175.A N CYS 212.A O no hydrogen 2.758 N/A TYR 176.A N ALA 229.A O no hydrogen 2.809 N/A LEU 177.A N TYR 210.A O no hydrogen 2.659 N/A ILE 178.A N ILE 227.A O no hydrogen 2.772 N/A THR 181.A N ARG 179.A O no hydrogen 2.947 N/A ASN 184.A N THR 181.A OG1 no hydrogen 3.188 N/A ASN 184.A ND2 ARG 179.A O no hydrogen 2.738 N/A LEU 185.A N THR 181.A O no hydrogen 2.832 N/A THR 186.A N ASN 182.A O no hydrogen 2.902 N/A THR 186.A OG1 ASN 182.A O no hydrogen 2.911 N/A LEU 187.A N ALA 183.A O no hydrogen 2.952 N/A PHE 188.A N ASN 184.A O no hydrogen 2.792 N/A GLU 189.A N LEU 185.A O no hydrogen 2.949 N/A CYS 190.A N THR 186.A O no hydrogen 2.958 N/A TRP 191.A N LEU 187.A O no hydrogen 2.798 N/A TRP 191.A NE1 MET 200.A O no hydrogen 3.186 N/A SER 192.A N PHE 188.A O no hydrogen 2.684 N/A SER 193.A N GLU 189.A O no hydrogen 3.047 N/A SER 193.A OG GLU 189.A O no hydrogen 2.857 N/A SER 194.A OG SER 195.A O no hydrogen 3.148 N/A GLU 199.A N ASN 196.A O no hydrogen 3.202 N/A MET 200.A N GLN 197.A O no hydrogen 3.492 N/A ASP 204.A N PHE 201.A O no hydrogen 2.953 N/A GLN 205.A N PHE 202.A O no hydrogen 2.953 N/A CYS 209.A N ASP 7.A OD2 no hydrogen 2.902 N/A TYR 210.A N LEU 177.A O no hydrogen 2.881 N/A CYS 212.A N PHE 175.A O no hydrogen 2.705 N/A CYS 212.A SG SER 213.A O no hydrogen 3.854 N/A SER 213.A OG GLU 172.A OE2 no hydrogen 2.512 N/A VAL 214.A N LYS 173.A O no hydrogen 2.657 N/A LYS 215.A N GLN 218.A OE1 no hydrogen 3.070 N/A LYS 215.A NZ GLU 172.A OE2 no hydrogen 3.509 N/A LYS 215.A NZ SER 213.A OG no hydrogen 2.770 N/A GLY 217.A N VAL 168.A O no hydrogen 2.789 N/A GLN 218.A N LYS 215.A O no hydrogen 3.017 N/A THR 219.A N VAL 37.A O no hydrogen 3.012 N/A THR 219.A OG1 HIS 167.A ND1 no hydrogen 2.692 N/A LEU 220.A N TYR 166.A O no hydrogen 2.853 N/A PHE 221.A N ILE 35.A O no hydrogen 2.772 N/A ILE 222.A N VAL 164.A O no hydrogen 2.834 N/A THR 224.A OG1 SER 163.A OG no hydrogen 3.216 N/A TRP 226.A NE1 SER 32.A O no hydrogen 2.740 N/A ILE 227.A N ILE 178.A O no hydrogen 3.009 N/A HIS 228.A N HIS 156.A O no hydrogen 2.950 N/A HIS 228.A ND1 TRP 226.A O no hydrogen 3.053 N/A ALA 229.A N TYR 176.A O no hydrogen 2.974 N/A VAL 230.A N THR 153.A O no hydrogen 2.912 N/A LEU 231.A N ILE 174.A O no hydrogen 2.863 N/A THR 232.A N SER 151.A O no hydrogen 2.912 N/A CYS 236.A N SER 147.A O no hydrogen 2.716 N/A CYS 236.A SG LYS 170.A O no hydrogen 3.293 N/A LEU 237.A N LYS 170.A O no hydrogen 2.899 N/A ALA 238.A N LEU 145.A O no hydrogen 2.873 N/A PHE 239.A N HIS 167.A O no hydrogen 2.888 N/A GLY 240.A N TYR 143.A O no hydrogen 3.063 N/A GLY 241.A N TRP 165.A O no hydrogen 3.177 N/A ASN 242.A N VAL 140.A O no hydrogen 2.767 N/A PHE 243.A N SER 163.A O no hydrogen 2.998 N/A HIS 245.A N GLN 252.A OE1 no hydrogen 2.834 N/A HIS 245.A NE2 SER 163.A OG no hydrogen 2.887 N/A LEU 247.A N HIS 245.A ND1 no hydrogen 3.256 N/A MET 251.A N ASN 248.A OD1 no hydrogen 3.241 N/A GLN 252.A N ASN 248.A O no hydrogen 3.250 N/A GLN 252.A NE2 HIS 245.A O no hydrogen 3.125 N/A LEU 253.A N ILE 249.A O no hydrogen 2.960 N/A LYS 254.A N GLU 250.A O no hydrogen 2.804 N/A LYS 254.A NZ ASN 182.A OD1 no hydrogen 3.525 N/A ALA 255.A N MET 251.A O no hydrogen 2.884 N/A TYR 256.A N GLN 252.A O no hydrogen 2.971 N/A TYR 256.A OH GLU 270.A OE2 no hydrogen 2.390 N/A GLU 257.A N LEU 253.A O no hydrogen 2.799 N/A ILE 258.A N LYS 254.A O no hydrogen 3.098 N/A ILE 258.A N ALA 255.A O no hydrogen 3.233 N/A GLU 259.A N ALA 255.A O no hydrogen 3.107 N/A LYS 260.A N TYR 256.A O no hydrogen 3.079 N/A ARG 261.A N GLU 257.A O no hydrogen 3.172 N/A ARG 261.A NE GLU 189.A OE1 no hydrogen 3.258 N/A ARG 261.A NE GLU 189.A OE2 no hydrogen 2.680 N/A ARG 261.A NH2 GLU 189.A OE1 no hydrogen 2.770 N/A LEU 262.A N ILE 258.A O no hydrogen 2.973 N/A ASN 268.A ND2 GLU 136.A O no hydrogen 3.196 N/A THR 271.A OG1 ASN 268.A OD1 no hydrogen 3.560 N/A THR 271.A OG1 GLU 324.A O no hydrogen 2.790 N/A ILE 272.A N ASN 268.A O no hydrogen 3.152 N/A CYS 273.A N PHE 269.A O no hydrogen 3.099 N/A CYS 273.A SG PHE 269.A O no hydrogen 3.481 N/A TRP 274.A N GLU 270.A O no hydrogen 2.942 N/A TYR 275.A N THR 271.A O no hydrogen 3.228 N/A VAL 276.A N ILE 272.A O no hydrogen 2.795 N/A GLY 277.A N CYS 273.A O no hydrogen 2.761 N/A LYS 278.A N TRP 274.A O no hydrogen 3.159 N/A HIS 279.A N TYR 275.A O no hydrogen 3.118 N/A ILE 280.A N VAL 276.A O no hydrogen 2.788 N/A LEU 281.A N GLY 277.A O no hydrogen 2.948 N/A ASP 282.A N LYS 278.A O no hydrogen 3.146 N/A ILE 283.A N HIS 279.A O no hydrogen 2.991 N/A PHE 284.A N ILE 280.A O no hydrogen 2.937 N/A ARG 285.A N LEU 281.A O no hydrogen 2.910 N/A GLY 286.A N ASP 282.A O no hydrogen 2.810 N/A LEU 287.A N ILE 283.A O no hydrogen 2.997 N/A ARG 288.A N PHE 284.A O no hydrogen 3.047 N/A ARG 288.A NE GLU 341.A OE1 no hydrogen 3.036 N/A ARG 288.A NH2 GLU 341.A OE2 no hydrogen 2.933 N/A GLU 289.A N ARG 285.A O no hydrogen 3.140 N/A ASN 290.A N GLY 286.A O no hydrogen 3.029 N/A ASN 290.A ND2 GLY 286.A O no hydrogen 3.089 N/A ARG 291.A N ARG 288.A O no hydrogen 2.866 N/A ARG 292.A N LEU 287.A O no hydrogen 2.692 N/A TYR 297.A OH GLU 27.A OE2 no hydrogen 2.789 N/A LEU 298.A N ALA 295.A O no hydrogen 3.038 N/A VAL 299.A N ALA 295.A O no hydrogen 3.320 N/A HIS 300.A N SER 296.A O no hydrogen 3.042 N/A GLY 301.A N TYR 297.A O no hydrogen 2.836 N/A GLY 302.A N LEU 298.A O no hydrogen 2.832 N/A LYS 303.A N VAL 299.A O no hydrogen 3.017 N/A LYS 303.A NZ GLU 346.A OE1 no hydrogen 2.610 N/A LYS 303.A NZ GLU 346.A OE2 no hydrogen 3.567 N/A ALA 304.A N HIS 300.A O no hydrogen 3.042 N/A LEU 305.A N GLY 301.A O no hydrogen 2.858 N/A ASN 306.A N GLY 302.A O no hydrogen 2.820 N/A ASN 306.A ND2 ILE 335.A O no hydrogen 3.115 N/A LEU 307.A N LYS 303.A O no hydrogen 3.007 N/A ALA 308.A N ALA 304.A O no hydrogen 3.103 N/A PHE 309.A N LEU 305.A O no hydrogen 2.967 N/A ARG 310.A N ASN 306.A O no hydrogen 3.118 N/A ALA 311.A N LEU 307.A O no hydrogen 3.062 N/A TRP 312.A N ALA 308.A O no hydrogen 2.840 N/A THR 313.A N PHE 309.A O no hydrogen 3.250 N/A THR 313.A N ARG 310.A O no hydrogen 3.354 N/A THR 313.A OG1 PHE 309.A O no hydrogen 2.682 N/A ARG 314.A N ARG 310.A O no hydrogen 3.074 N/A ALA 317.A N ARG 314.A O no hydrogen 3.037 N/A LEU 318.A N ARG 314.A O no hydrogen 3.013 N/A ASP 320.A N ALA 317.A O no hydrogen 2.968 N/A HIS 321.A N LEU 318.A O no hydrogen 2.908 N/A HIS 321.A ND1 GLU 270.A OE1 no hydrogen 2.714 N/A HIS 321.A ND1 GLU 270.A OE2 no hydrogen 3.030 N/A GLU 322.A N LEU 318.A O no hydrogen 2.756 N/A GLU 324.A N HIS 321.A O no hydrogen 3.109 N/A ILE 325.A N GLU 322.A O no hydrogen 3.186 N/A VAL 329.A N PRO 326.A O no hydrogen 3.125 N/A LEU 334.A N ARG 330.A O no hydrogen 2.859 N/A ILE 335.A N THR 331.A O no hydrogen 3.029 N/A LYS 336.A N VAL 332.A O no hydrogen 2.981 N/A ASP 337.A N GLN 333.A O no hydrogen 2.881 N/A LEU 338.A N LEU 334.A O no hydrogen 2.824 N/A ALA 339.A N ILE 335.A O no hydrogen 3.087 N/A ARG 340.A N LYS 336.A O no hydrogen 3.065 N/A ARG 340.A NH2 GLU 341.A OE2 no hydrogen 3.557 N/A GLU 341.A N ASP 337.A O no hydrogen 3.052 N/A ILE 342.A N LEU 338.A O no hydrogen 3.051 N/A ARG 343.A N ALA 339.A O no hydrogen 2.993 N/A LEU 344.A N ARG 340.A O no hydrogen 3.022 N/A VAL 345.A N GLU 341.A O no hydrogen 3.287 N/A GLU 346.A N ILE 342.A O no hydrogen 3.157 N/A ASP 347.A N ARG 343.A O no hydrogen 2.822 N/A GLN 350.A N ASP 347.A O no hydrogen 3.091 N/A