Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kjd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N THR 1.A O no hydrogen 3.235 N/A TYR 5.A N GLU 2.A O no hydrogen 3.005 N/A PHE 6.A N GLU 2.A O no hydrogen 2.894 N/A GLN 7.A N ASN 3.A O no hydrogen 3.062 N/A ARG 12.A N ASP 10.A OD1 no hydrogen 2.804 N/A ARG 12.A NE ASP 174.A OD2 no hydrogen 3.004 N/A ARG 12.A NH1 LEU 143.A O no hydrogen 2.878 N/A ARG 12.A NH1 ASP 174.A OD1 no hydrogen 2.861 N/A VAL 13.A N ASP 10.A O no hydrogen 3.029 N/A GLN 14.A N ASP 10.A O no hydrogen 3.018 N/A GLN 14.A NE2 MET 9.A O no hydrogen 2.689 N/A GLU 15.A N LEU 11.A O no hydrogen 2.983 N/A LEU 16.A N ARG 12.A O no hydrogen 3.101 N/A ILE 17.A N VAL 13.A O no hydrogen 2.880 N/A LYS 18.A N GLN 14.A O no hydrogen 2.868 N/A LEU 19.A N GLU 15.A O no hydrogen 2.963 N/A ILE 20.A N LEU 16.A O no hydrogen 3.011 N/A CYS 21.A N ILE 17.A O no hydrogen 2.959 N/A CYS 21.A SG ILE 17.A O no hydrogen 3.348 N/A ASN 22.A N LEU 19.A O no hydrogen 3.428 N/A ALA 25.A N ASN 22.A OD1 no hydrogen 2.971 N/A MET 26.A N ASN 22.A O no hydrogen 3.337 N/A GLU 27.A N VAL 23.A O no hydrogen 3.014 N/A GLU 28.A N GLN 24.A O no hydrogen 3.026 N/A MET 29.A N ALA 25.A O no hydrogen 2.783 N/A MET 30.A N MET 26.A O no hydrogen 2.971 N/A MET 31.A N GLU 27.A O no hydrogen 2.963 N/A GLU 32.A N GLU 28.A O no hydrogen 3.047 N/A MET 33.A N MET 29.A O no hydrogen 3.088 N/A LYS 34.A N MET 31.A O no hydrogen 2.955 N/A LYS 34.A NZ ASP 87.A O no hydrogen 3.446 N/A TYR 35.A N MET 30.A O no hydrogen 2.982 N/A TYR 35.A OH ALA 40.A O no hydrogen 2.924 N/A ASN 36.A N PRO 85.A O no hydrogen 2.807 N/A ASN 36.A ND2 HIS 86.A O no hydrogen 3.688 N/A THR 37.A N TYR 35.A O no hydrogen 3.162 N/A LYS 38.A N ASN 36.A OD1 no hydrogen 3.199 N/A LYS 39.A N ASN 36.A OD1 no hydrogen 3.007 N/A ALA 40.A N ASN 36.A O no hydrogen 3.001 N/A LYS 44.A N PRO 41.A O no hydrogen 3.074 N/A LEU 45.A N LEU 42.A O no hydrogen 3.099 N/A THR 46.A N GLN 49.A OE1 no hydrogen 3.085 N/A GLN 49.A N THR 46.A OG1 no hydrogen 3.170 N/A ILE 50.A N THR 46.A O no hydrogen 3.243 N/A LYS 51.A N VAL 47.A O no hydrogen 2.882 N/A ALA 52.A N ALA 48.A O no hydrogen 2.895 N/A GLY 53.A N GLN 49.A O no hydrogen 2.910 N/A TYR 54.A N ILE 50.A O no hydrogen 2.935 N/A GLN 55.A N LYS 51.A O no hydrogen 3.088 N/A GLN 55.A NE2 GLU 220.A OE1 no hydrogen 3.167 N/A SER 56.A N ALA 52.A O no hydrogen 3.024 N/A SER 56.A OG ALA 52.A O no hydrogen 3.364 N/A SER 56.A OG GLU 79.A OE2 no hydrogen 2.646 N/A LEU 57.A N GLY 53.A O no hydrogen 3.029 N/A LYS 58.A N TYR 54.A O no hydrogen 2.864 N/A LYS 58.A NZ ASP 62.A OD1 no hydrogen 3.548 N/A LYS 59.A N GLN 55.A O no hydrogen 3.124 N/A LYS 59.A NZ GLU 79.A OE1 no hydrogen 3.058 N/A ILE 60.A N SER 56.A O no hydrogen 2.995 N/A GLU 61.A N LEU 57.A O no hydrogen 2.887 N/A ASP 62.A N LYS 58.A O no hydrogen 2.933 N/A CYS 63.A N LYS 59.A O no hydrogen 3.138 N/A CYS 63.A SG LYS 59.A O no hydrogen 3.400 N/A ILE 64.A N ILE 60.A O no hydrogen 2.871 N/A ARG 65.A N GLU 61.A O no hydrogen 2.865 N/A ALA 66.A N ASP 62.A O no hydrogen 3.048 N/A GLY 67.A N ILE 64.A O no hydrogen 3.198 N/A GLN 68.A N CYS 63.A O no hydrogen 2.925 N/A ARG 71.A NE GLU 75.A OE2 no hydrogen 2.868 N/A ARG 71.A NH2 GLU 75.A OE2 no hydrogen 3.413 N/A MET 74.A N GLY 70.A O no hydrogen 3.076 N/A GLU 75.A N ARG 71.A O no hydrogen 2.815 N/A ALA 76.A N ALA 72.A O no hydrogen 3.028 N/A CYS 77.A N LEU 73.A O no hydrogen 2.887 N/A CYS 77.A SG LEU 73.A O no hydrogen 3.541 N/A ASN 78.A N MET 74.A O no hydrogen 2.867 N/A GLU 79.A N GLU 75.A O no hydrogen 2.926 N/A PHE 80.A N ALA 76.A O no hydrogen 2.849 N/A TYR 81.A N CYS 77.A O no hydrogen 2.917 N/A TYR 81.A OH PRO 94.A O no hydrogen 2.685 N/A THR 82.A N ASN 78.A O no hydrogen 2.874 N/A THR 82.A OG1 ASN 78.A O no hydrogen 2.713 N/A ARG 83.A N GLU 79.A O no hydrogen 2.955 N/A ARG 83.A NH1 ALA 52.A O no hydrogen 3.014 N/A ILE 84.A N PHE 80.A O no hydrogen 2.866 N/A HIS 86.A ND1 ILE 84.A O no hydrogen 2.734 N/A ASP 87.A N LYS 34.A O no hydrogen 2.826 N/A GLY 89.A N ASP 87.A OD1 no hydrogen 2.929 N/A ARG 91.A N PHE 88.A O no hydrogen 3.054 N/A ARG 97.A N GLU 101.A OE1 no hydrogen 3.237 N/A THR 98.A N GLU 101.A OE1 no hydrogen 3.083 N/A GLN 99.A NE2 THR 224.A O no hydrogen 2.752 N/A LEU 102.A N THR 98.A O no hydrogen 2.845 N/A SER 103.A N GLN 99.A O no hydrogen 2.831 N/A GLU 104.A N LYS 100.A O no hydrogen 2.955 N/A LYS 105.A N GLU 101.A O no hydrogen 3.267 N/A LYS 105.A NZ HIS 86.A NE2 no hydrogen 3.044 N/A ILE 106.A N LEU 102.A O no hydrogen 2.902 N/A GLN 107.A N SER 103.A O no hydrogen 2.881 N/A GLN 107.A NE2 SER 103.A OG no hydrogen 3.331 N/A LEU 108.A N GLU 104.A O no hydrogen 3.033 N/A LEU 109.A N LYS 105.A O no hydrogen 2.999 N/A GLU 110.A N ILE 106.A O no hydrogen 2.824 N/A ALA 111.A N GLN 107.A O no hydrogen 2.972 N/A LEU 112.A N LEU 108.A O no hydrogen 2.954 N/A GLY 113.A N LEU 109.A O no hydrogen 2.919 N/A ASP 114.A N GLU 110.A O no hydrogen 3.153 N/A ILE 115.A N ALA 111.A O no hydrogen 2.872 N/A GLU 116.A N LEU 112.A O no hydrogen 2.849 N/A ILE 117.A N GLY 113.A O no hydrogen 3.297 N/A ALA 118.A N ASP 114.A O no hydrogen 2.919 N/A ILE 119.A N ILE 115.A O no hydrogen 2.899 N/A LYS 120.A N GLU 116.A O no hydrogen 3.299 N/A LYS 120.A NZ GLU 116.A OE2 no hydrogen 2.584 N/A LEU 121.A N ILE 117.A O no hydrogen 3.002 N/A VAL 122.A N ALA 118.A O no hydrogen 2.913 N/A LYS 123.A N LYS 120.A O no hydrogen 3.368 N/A GLU 126.A N SER 124.A OG no hydrogen 3.087 N/A LEU 129.A N HIS 127.A ND1 no hydrogen 3.003 N/A GLN 131.A N HIS 127.A O no hydrogen 3.082 N/A HIS 132.A N PRO 128.A O no hydrogen 2.891 N/A TYR 133.A N LEU 129.A O no hydrogen 3.081 N/A ARG 134.A N ASP 130.A O no hydrogen 3.015 N/A ARG 134.A NE GLU 126.A OE1 no hydrogen 3.080 N/A ARG 134.A NH1 GLU 126.A OE2 no hydrogen 2.583 N/A ASN 135.A N GLN 131.A O no hydrogen 3.056 N/A LEU 136.A N HIS 132.A O no hydrogen 3.151 N/A LEU 136.A N TYR 133.A O no hydrogen 3.221 N/A HIS 137.A N ARG 134.A O no hydrogen 2.967 N/A HIS 137.A ND1 ASN 135.A O no hydrogen 3.133 N/A CYS 138.A SG ALA 139.A O no hydrogen 3.924 N/A ALA 139.A N GLU 179.A O no hydrogen 2.967 N/A LEU 140.A N TYR 133.A OH no hydrogen 3.000 N/A ARG 141.A N GLU 177.A O no hydrogen 2.980 N/A ARG 141.A NH1 GLU 177.A OE1 no hydrogen 2.758 N/A ARG 141.A NH1 GLU 179.A OE2 no hydrogen 2.872 N/A ARG 141.A NH2 GLU 179.A OE2 no hydrogen 3.007 N/A LEU 143.A N LEU 175.A O no hydrogen 2.903 N/A HIS 145.A NE2 ASP 174.A OD1 no hydrogen 3.105 N/A GLU 146.A N ASP 144.A OD1 no hydrogen 3.070 N/A SER 147.A N ASP 144.A O no hydrogen 2.999 N/A SER 147.A OG ASP 144.A O no hydrogen 2.757 N/A PHE 150.A N SER 147.A OG no hydrogen 3.163 N/A LYS 151.A N SER 147.A O no hydrogen 3.182 N/A VAL 152.A N TYR 148.A O no hydrogen 2.991 N/A ILE 153.A N GLU 149.A O no hydrogen 2.922 N/A SER 154.A N PHE 150.A O no hydrogen 2.882 N/A SER 154.A OG PHE 150.A O no hydrogen 2.728 N/A GLN 155.A N LYS 151.A O no hydrogen 3.051 N/A TYR 156.A N VAL 152.A O no hydrogen 2.865 N/A TYR 156.A OH LEU 196.A O no hydrogen 2.692 N/A LEU 157.A N ILE 153.A O no hydrogen 2.779 N/A GLN 158.A N SER 154.A O no hydrogen 3.015 N/A GLN 158.A NE2 MET 170.A O no hydrogen 2.717 N/A SER 159.A N GLN 155.A O no hydrogen 2.843 N/A SER 159.A OG GLN 155.A O no hydrogen 2.710 N/A THR 160.A N TYR 156.A O no hydrogen 3.112 N/A THR 160.A OG1 TYR 156.A O no hydrogen 2.721 N/A HIS 161.A N GLN 158.A O no hydrogen 3.161 N/A HIS 161.A NE2 HIS 165.A O no hydrogen 2.887 N/A ALA 162.A N SER 239.A OG no hydrogen 2.827 N/A THR 164.A N TYR 327.A OH no hydrogen 3.397 N/A THR 164.A OG1 TYR 327.A OH no hydrogen 2.630 N/A HIS 165.A N ALA 162.A O no hydrogen 3.166 N/A HIS 165.A ND1 SER 239.A OG no hydrogen 2.627 N/A TYR 168.A OH ASN 243.A OD1 no hydrogen 2.718 N/A THR 169.A N ASN 349.A O no hydrogen 3.130 N/A THR 171.A N GLN 347.A O no hydrogen 2.783 N/A LEU 173.A N LYS 345.A O no hydrogen 2.804 N/A ASP 174.A N LYS 345.A O no hydrogen 3.362 N/A LEU 175.A N ASP 174.A OD1 no hydrogen 3.040 N/A PHE 176.A N LEU 343.A O no hydrogen 2.959 N/A GLU 177.A N ARG 141.A O no hydrogen 2.813 N/A VAL 178.A N ARG 341.A O no hydrogen 2.789 N/A GLU 179.A N ALA 139.A O no hydrogen 3.092 N/A LYS 180.A NZ LEU 136.A O no hydrogen 2.880 N/A LYS 180.A NZ HIS 137.A O no hydrogen 2.886 N/A LYS 180.A NZ LEU 210.A O no hydrogen 3.445 N/A LYS 180.A NZ SER 211.A O no hydrogen 2.643 N/A ASP 181.A N HIS 137.A O no hydrogen 3.473 N/A GLU 183.A N LYS 180.A O no hydrogen 3.260 N/A ALA 186.A N GLY 182.A O no hydrogen 3.030 N/A PHE 187.A N LYS 184.A O no hydrogen 3.425 N/A ARG 188.A N ASN 336.A O no hydrogen 2.794 N/A ARG 188.A NE ASP 190.A OD1 no hydrogen 2.859 N/A ARG 188.A NH2 ASP 190.A OD2 no hydrogen 2.898 N/A GLU 189.A N PHE 187.A O no hydrogen 2.853 N/A LEU 191.A N ARG 188.A O no hydrogen 3.269 N/A HIS 192.A NE2 GLN 265.A OE1 no hydrogen 2.857 N/A ASN 193.A ND2 GLY 264.A O no hydrogen 3.212 N/A ARG 194.A NH2 GLU 189.A O no hydrogen 2.981 N/A MET 195.A N VAL 261.A O no hydrogen 3.036 N/A LEU 196.A N THR 306.A O no hydrogen 2.957 N/A LEU 197.A N SER 259.A O no hydrogen 2.860 N/A TRP 198.A N ALA 235.A O no hydrogen 3.030 N/A HIS 199.A N LEU 257.A O no hydrogen 2.832 N/A HIS 199.A ND1 TYR 233.A O no hydrogen 2.963 N/A SER 204.A OG ASN 205.A OD1 no hydrogen 2.865 N/A ASN 205.A N ARG 202.A O no hydrogen 2.957 N/A ASN 205.A ND2 SER 201.A OG no hydrogen 3.128 N/A ILE 209.A N ASN 205.A O no hydrogen 3.006 N/A LEU 210.A N TRP 206.A O no hydrogen 2.879 N/A SER 211.A N VAL 207.A O no hydrogen 2.936 N/A SER 211.A OG VAL 207.A O no hydrogen 2.654 N/A SER 211.A OG GLY 208.A O no hydrogen 3.405 N/A SER 211.A OG HIS 212.A ND1 no hydrogen 3.034 N/A HIS 212.A N GLY 208.A O no hydrogen 2.800 N/A HIS 212.A ND1 SER 211.A OG no hydrogen 3.034 N/A ARG 215.A NE GLY 213.A O no hydrogen 2.890 N/A ARG 215.A NH1 ASP 114.A OD1 no hydrogen 2.827 N/A ARG 215.A NH2 ASP 114.A OD1 no hydrogen 3.076 N/A ARG 215.A NH2 GLY 213.A O no hydrogen 3.404 N/A GLU 220.A N HIS 218.A ND1 no hydrogen 2.987 N/A ALA 221.A N HIS 218.A O no hydrogen 3.035 N/A THR 224.A N GLU 61.A OE2 no hydrogen 2.981 N/A THR 224.A OG1 GLU 61.A OE2 no hydrogen 2.311 N/A GLY 225.A N PRO 222.A O no hydrogen 3.072 N/A TYR 226.A N ILE 223.A O no hydrogen 2.909 N/A TYR 226.A OH GLU 110.A OE2 no hydrogen 2.364 N/A PHE 228.A N TYR 233.A OH no hydrogen 2.865 N/A GLY 229.A N TYR 226.A O no hydrogen 3.139 N/A LYS 230.A NZ HIS 218.A O no hydrogen 2.995 N/A LYS 230.A NZ ALA 221.A O no hydrogen 2.795 N/A GLY 231.A N GLY 229.A O no hydrogen 2.999 N/A ILE 232.A N VAL 332.A O no hydrogen 2.687 N/A TYR 233.A OH GLY 229.A O no hydrogen 2.689 N/A PHE 234.A N TYR 330.A O no hydrogen 2.872 N/A ALA 235.A N TRP 198.A O no hydrogen 3.067 N/A SER 238.A N THR 160.A OG1 no hydrogen 3.036 N/A SER 238.A OG LEU 157.A O no hydrogen 2.713 N/A SER 239.A OG HIS 165.A ND1 no hydrogen 2.627 N/A LYS 240.A NZ TYR 327.A O no hydrogen 2.966 N/A LYS 240.A NZ ASN 328.A O no hydrogen 3.014 N/A LYS 240.A NZ GLU 329.A OE2 no hydrogen 2.827 N/A ALA 242.A N SER 238.A O no hydrogen 2.922 N/A ASN 243.A N SER 239.A O no hydrogen 2.978 N/A TYR 244.A N SER 241.A O no hydrogen 2.925 N/A CYS 245.A N ALA 242.A O no hydrogen 2.915 N/A CYS 245.A SG SER 201.A O no hydrogen 3.950 N/A CYS 245.A SG LEU 255.A O no hydrogen 3.151 N/A PHE 246.A N ASN 243.A O no hydrogen 3.054 N/A SER 248.A N LYS 251.A O no hydrogen 2.982 N/A LYS 251.A N SER 248.A OG no hydrogen 3.251 N/A LYS 251.A NZ GLU 28.A OE1 no hydrogen 3.560 N/A ASN 252.A ND2 PHE 348.A O no hydrogen 3.240 N/A GLY 254.A N VAL 346.A O no hydrogen 2.997 N/A LEU 256.A N LEU 344.A O no hydrogen 2.988 N/A LEU 257.A N HIS 199.A O no hydrogen 2.987 N/A LEU 258.A N TYR 342.A O no hydrogen 2.913 N/A SER 259.A N LEU 197.A O no hydrogen 2.960 N/A GLU 260.A N ARG 339.A O no hydrogen 2.835 N/A VAL 261.A N MET 195.A O no hydrogen 2.770 N/A ALA 262.A N GLN 337.A O no hydrogen 2.907 N/A LEU 263.A N ASN 193.A O no hydrogen 3.359 N/A GLY 264.A N HIS 192.A O no hydrogen 2.867 N/A GLN 265.A N HIS 284.A ND1 no hydrogen 3.098 N/A CYS 266.A SG SER 285.A OG no hydrogen 3.332 N/A ASN 267.A N SER 285.A O no hydrogen 2.686 N/A LEU 269.A N LYS 287.A O no hydrogen 2.780 N/A ASN 273.A N MET 227.A O no hydrogen 2.892 N/A LYS 275.A N ASN 273.A OD1 no hydrogen 2.904 N/A ALA 276.A N ASN 273.A O no hydrogen 2.818 N/A GLY 278.A N LYS 275.A O no hydrogen 2.985 N/A LEU 279.A N ALA 276.A O no hydrogen 2.941 N/A LEU 280.A N GLU 277.A O no hydrogen 3.366 N/A LYS 283.A N LEU 280.A O no hydrogen 3.091 N/A LYS 283.A NZ ASN 267.A OD1 no hydrogen 3.488 N/A HIS 284.A N GLN 265.A O no hydrogen 2.887 N/A SER 285.A N GLN 265.A O no hydrogen 3.298 N/A SER 285.A OG LEU 263.A O no hydrogen 2.803 N/A THR 286.A N ILE 331.A O no hydrogen 3.029 N/A THR 286.A OG1 TYR 333.A OH no hydrogen 2.740 N/A LYS 287.A N ASN 267.A O no hydrogen 2.897 N/A GLY 288.A N GLU 329.A O no hydrogen 2.903 N/A LEU 289.A N LEU 269.A O no hydrogen 2.831 N/A GLY 290.A N ASN 328.A OD1 no hydrogen 2.943 N/A LYS 291.A N LEU 325.A O no hydrogen 2.869 N/A MET 292.A N ASN 326.A O no hydrogen 3.097 N/A ALA 293.A N SER 313.A O no hydrogen 3.012 N/A HIS 298.A N SER 295.A O no hydrogen 3.046 N/A PHE 299.A N SER 296.A O no hydrogen 3.026 N/A VAL 300.A N VAL 307.A O no hydrogen 3.193 N/A LEU 302.A N SER 305.A O no hydrogen 2.798 N/A SER 305.A N LEU 302.A O no hydrogen 3.124 N/A THR 306.A N ARG 194.A O no hydrogen 2.927 N/A VAL 307.A N VAL 300.A O no hydrogen 2.738 N/A LEU 309.A N VAL 307.A O no hydrogen 3.049 N/A GLY 310.A N SER 159.A OG no hydrogen 3.070 N/A SER 313.A N ALA 293.A O no hydrogen 2.933 N/A THR 315.A N LYS 291.A O no hydrogen 2.861 N/A THR 315.A OG1 GLY 290.A O no hydrogen 2.659 N/A THR 315.A OG1 LYS 291.A O no hydrogen 2.878 N/A ASN 319.A N THR 324.A OG1 no hydrogen 3.326 N/A ASN 319.A ND2 GLU 271.A OE1 no hydrogen 3.299 N/A ASN 319.A ND2 TYR 323.A O no hydrogen 3.432 N/A TYR 327.A OH THR 164.A OG1 no hydrogen 2.630 N/A ASN 328.A ND2 ASP 236.A OD2 no hydrogen 3.025 N/A GLU 329.A N GLY 288.A O no hydrogen 3.055 N/A TYR 330.A N PHE 234.A O no hydrogen 2.896 N/A TYR 330.A OH ASP 236.A OD2 no hydrogen 2.750 N/A ILE 331.A N THR 286.A O no hydrogen 2.879 N/A VAL 332.A N ILE 232.A O no hydrogen 3.158 N/A TYR 333.A OH PHE 228.A O no hydrogen 2.532 N/A TYR 333.A OH THR 286.A OG1 no hydrogen 2.740 N/A ASN 336.A N ASN 334.A OD1 no hydrogen 2.941 N/A GLN 337.A N ASN 334.A O no hydrogen 3.011 N/A GLN 337.A NE2 ALA 262.A O no hydrogen 2.889 N/A GLN 337.A NE2 HIS 284.A O no hydrogen 2.937 N/A VAL 338.A N PRO 335.A O no hydrogen 3.036 N/A ARG 339.A N GLU 260.A O no hydrogen 2.948 N/A MET 340.A N GLU 183.A OE1 no hydrogen 2.803 N/A ARG 341.A N LEU 258.A O no hydrogen 2.996 N/A TYR 342.A N LEU 258.A O no hydrogen 3.131 N/A LEU 343.A N PHE 176.A O no hydrogen 2.869 N/A LEU 344.A N LEU 256.A O no hydrogen 2.728 N/A LYS 345.A N ASP 174.A O no hydrogen 2.895 N/A VAL 346.A N GLY 254.A O no hydrogen 2.847 N/A GLN 347.A N THR 171.A O no hydrogen 2.782 N/A GLN 347.A NE2 ASN 349.A OD1 no hydrogen 2.658 N/A PHE 348.A N ASN 252.A O no hydrogen 2.819 N/A ASN 349.A N THR 169.A O no hydrogen 2.678 N/A ASN 349.A ND2 THR 169.A OG1 no hydrogen 2.999 N/A ASN 349.A ND2 THR 171.A OG1 no hydrogen 3.019 N/A