Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wkp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A N ILE 1.A O no hydrogen 2.915 N/A HIS 4.A NE2 ASP 73.A OD1 no hydrogen 2.820 N/A LYS 5.A N ALA 2.A O no hydrogen 3.117 N/A VAL 7.A N HIS 4.A O no hydrogen 2.903 N/A GLN 9.A N ILE 32.A O no hydrogen 2.756 N/A GLN 9.A NE2 MET 72.A O.A no hydrogen 3.076 N/A GLN 9.A NE2 MET 72.A O.B no hydrogen 2.885 N/A VAL 12.A N ASN 49.A O no hydrogen 3.315 N/A LYS 15.A N GLU 27.A O no hydrogen 3.142 N/A LYS 15.A NZ GLU 27.A OE1 no hydrogen 3.497 N/A LYS 15.A NZ GLU 27.A OE2 no hydrogen 2.848 N/A GLU 17.A N HIS 25.A O no hydrogen 3.023 N/A ARG 18.A NH1 GLY 20.A O no hydrogen 3.140 N/A ARG 18.A NH1 ASP 63.A OD1 no hydrogen 3.092 N/A ARG 18.A NH2 ASP 63.A OD2 no hydrogen 2.963 N/A VAL 19.A N ASP 23.A O no hydrogen 2.883 N/A GLY 20.A N ASP 23.A O no hydrogen 3.068 N/A ASP 23.A N GLY 20.A O no hydrogen 3.329 N/A VAL 24.A N.A THR 64.A O no hydrogen 2.941 N/A VAL 24.A N.B THR 64.A O no hydrogen 2.944 N/A HIS 25.A N GLU 17.A O no hydrogen 2.727 N/A ILE 26.A N HIS 66.A O no hydrogen 3.097 N/A GLU 27.A N LYS 15.A O no hydrogen 2.796 N/A MET 28.A N.A THR 68.A O no hydrogen 2.790 N/A MET 28.A N.B THR 68.A O no hydrogen 2.761 N/A THR 29.A N ASN 49.A OD1 no hydrogen 3.063 N/A THR 29.A OG1 GLN 31.A OE1 no hydrogen 2.718 N/A ALA 30.A N LYS 70.A O no hydrogen 2.895 N/A GLN 31.A N THR 47.A O no hydrogen 2.969 N/A GLN 31.A NE2 GLN 9.A O no hydrogen 2.884 N/A GLN 31.A NE2 ALA 10.A O no hydrogen 2.832 N/A GLN 31.A NE2 THR 33.A OG1 no hydrogen 3.132 N/A ILE 32.A N GLN 9.A OE1 no hydrogen 2.848 N/A THR 33.A N ALA 45.A O no hydrogen 3.077 N/A THR 33.A OG1 GLN 9.A O no hydrogen 2.695 N/A ASP 34.A N ASN 8.A OD1 no hydrogen 2.841 N/A ILE 35.A N TYR 43.A O no hydrogen 2.962 N/A ILE 37.A N LYS 41.A O no hydrogen 2.916 N/A LYS 39.A NZ GLU 200.A OE1 no hydrogen 3.465 N/A LYS 39.A NZ GLU 200.A OE2 no hydrogen 2.986 N/A GLY 40.A N GLU 36.A OE2 no hydrogen 2.717 N/A LYS 41.A N ASP 38.A O no hydrogen 2.759 N/A TYR 43.A N ILE 35.A O no hydrogen 3.008 N/A TYR 43.A OH ASN 129.A OD1 no hydrogen 2.575 N/A LYS 44.A NZ VAL 7.A O no hydrogen 2.683 N/A LYS 44.A NZ ASP 34.A OD1 no hydrogen 2.818 N/A LYS 44.A NZ ASP 34.A OD2 no hydrogen 3.370 N/A ALA 45.A N THR 33.A O no hydrogen 2.908 N/A TRP 46.A N ASN 129.A O no hydrogen 2.858 N/A THR 47.A N GLN 31.A O no hydrogen 2.854 N/A THR 47.A OG1 GLN 31.A O no hydrogen 2.895 N/A ASN 49.A N THR 29.A O no hydrogen 3.192 N/A ASN 49.A ND2 VAL 12.A O no hydrogen 2.898 N/A GLY 50.A N THR 47.A OG1 no hydrogen 2.867 N/A GLN 51.A N PHE 48.A O no hydrogen 3.251 N/A ALA 52.A N ASN 192.A OD1 no hydrogen 3.099 N/A GLY 54.A N HIS 132.A O no hydrogen 2.765 N/A VAL 57.A N VAL 134.A O no hydrogen 3.378 N/A VAL 59.A N ILE 136.A O no hydrogen 2.825 N/A ASN 60.A N ASP 63.A OD2 no hydrogen 2.735 N/A GLU 61.A N LYS 138.A O no hydrogen 2.975 N/A GLY 62.A N ALA 108.A O no hydrogen 2.781 N/A ASP 63.A N ASN 60.A O no hydrogen 2.894 N/A THR 64.A N HIS 22.A O no hydrogen 2.750 N/A ILE 65.A N TYR 106.A O no hydrogen 2.826 N/A HIS 66.A N VAL 24.A O.A no hydrogen 2.943 N/A HIS 66.A N VAL 24.A O.B no hydrogen 2.870 N/A HIS 66.A NE2 ASP 23.A OD2 no hydrogen 2.606 N/A PHE 67.A N PHE 104.A O no hydrogen 2.580 N/A THR 68.A N ILE 26.A O no hydrogen 2.880 N/A THR 68.A OG1 THR 103.A OG1 no hydrogen 2.853 N/A LEU 69.A N GLY 102.A O no hydrogen 3.028 N/A LYS 70.A N MET 28.A O.A no hydrogen 2.911 N/A LYS 70.A N MET 28.A O.B no hydrogen 2.969 N/A LYS 70.A NZ SER 101.A OG no hydrogen 2.631 N/A ASN 71.A N LYS 100.A O no hydrogen 2.864 N/A ASN 71.A ND2 VAL 76.A O no hydrogen 2.941 N/A ASN 71.A ND2 VAL 96.A O no hydrogen 2.963 N/A MET 72.A N.A ALA 30.A O no hydrogen 2.766 N/A MET 72.A N.B ALA 30.A O no hydrogen 2.751 N/A ASP 73.A N ASN 71.A OD1 no hydrogen 2.941 N/A VAL 75.A N ASP 73.A OD1 no hydrogen 2.804 N/A VAL 76.A N ASP 73.A OD1 no hydrogen 2.860 N/A HIS 78.A N VAL 96.A O no hydrogen 3.276 N/A HIS 78.A ND1 HIS 126.A ND1 no hydrogen 3.206 N/A HIS 78.A NE2 ASP 73.A OD2 no hydrogen 2.737 N/A SER 79.A OG THR 120.A OG1 no hydrogen 2.698 N/A ASP 81.A N HIS 117.A O no hydrogen 2.774 N/A HIS 83.A N MET 115.A O no hydrogen 2.843 N/A VAL 85.A N PHE 82.A O no hydrogen 3.278 N/A HIS 86.A N PRO 107.A O no hydrogen 3.105 N/A SER 88.A N ASP 92.A OD2 no hydrogen 2.830 N/A LYS 91.A N SER 88.A O no hydrogen 3.072 N/A ASP 92.A N SER 88.A O no hydrogen 2.787 N/A PHE 93.A N PRO 89.A O no hydrogen 3.241 N/A VAL 96.A N HIS 78.A O no hydrogen 2.820 N/A ASN 99.A N ASN 71.A O no hydrogen 2.772 N/A LYS 100.A N MET 97.A O no hydrogen 2.957 N/A GLY 102.A N LEU 69.A O no hydrogen 3.090 N/A THR 103.A OG1 THR 68.A OG1 no hydrogen 2.853 N/A PHE 104.A N PHE 67.A O no hydrogen 2.843 N/A TYR 106.A N ILE 65.A O no hydrogen 2.964 N/A ALA 108.A N ASP 63.A O no hydrogen 2.882 N/A ASN 109.A ND2.B HIS 86.A ND1 no hydrogen 3.071 N/A GLY 112.A N VAL 137.A O no hydrogen 2.964 N/A VAL 113.A N ASP 239.A O no hydrogen 3.004 N/A PHE 114.A N ILE 135.A O no hydrogen 2.879 N/A TYR 116.A N GLY 133.A O no hydrogen 2.762 N/A TYR 116.A OH PRO 55.A O no hydrogen 2.629 N/A HIS 117.A N ASP 81.A O no hydrogen 2.926 N/A HIS 117.A ND1 ALA 118.A O no hydrogen 2.890 N/A ALA 118.A N MET 131.A O no hydrogen 3.151 N/A GLY 119.A N SER 79.A OG no hydrogen 2.759 N/A THR 120.A OG1 SER 79.A OG no hydrogen 2.698 N/A THR 120.A OG1 ASP 95.A OD1 no hydrogen 2.621 N/A GLN 125.A NE2 ASN 164.A OD1 no hydrogen 2.739 N/A HIS 126.A N PRO 122.A O no hydrogen 3.306 N/A ILE 127.A N VAL 123.A O no hydrogen 2.944 N/A ALA 128.A N LEU 124.A O no hydrogen 2.990 N/A ASN 129.A N GLN 125.A O no hydrogen 3.075 N/A ASN 129.A ND2 ASN 164.A OD1 no hydrogen 2.902 N/A GLY 130.A N ILE 127.A O no hydrogen 2.792 N/A MET 131.A N HIS 126.A O no hydrogen 2.952 N/A HIS 132.A N GLY 130.A O no hydrogen 3.195 N/A GLY 133.A N TYR 116.A O no hydrogen 2.984 N/A ILE 135.A N PHE 114.A O no hydrogen 2.828 N/A ILE 136.A N VAL 57.A O no hydrogen 2.915 N/A VAL 137.A N GLY 112.A O no hydrogen 2.878 N/A LYS 138.A N VAL 59.A O no hydrogen 2.956 N/A LYS 140.A N GLU 61.A OE1 no hydrogen 2.691 N/A GLY 142.A N PRO 139.A O no hydrogen 2.866 N/A TYR 143.A N ASP 146.A OD1 no hydrogen 3.417 N/A TYR 143.A N ASP 146.A OD2 no hydrogen 2.996 N/A TYR 143.A OH GLY 240.A O no hydrogen 2.534 N/A THR 145.A OG1 TYR 237.A OH no hydrogen 2.753 N/A THR 145.A OG1 GLU 263.A OE1 no hydrogen 2.530 N/A THR 145.A OG1 GLU 263.A OE2 no hydrogen 3.127 N/A ASP 146.A N TYR 143.A O no hydrogen 2.993 N/A GLU 148.A N THR 145.A O no hydrogen 2.935 N/A VAL 149.A N ASP 146.A O no hydrogen 3.184 N/A ASP 150.A N LYS 210.A O no hydrogen 2.762 N/A ARG 151.A N LYS 210.A O no hydrogen 3.254 N/A ARG 151.A NE GLU 209.A OE2 no hydrogen 2.826 N/A ARG 151.A NH1 GLU 209.A OE1 no hydrogen 2.797 N/A TYR 153.A N ARG 212.A O no hydrogen 2.998 N/A TYR 153.A OH LEU 204.A O no hydrogen 2.702 N/A LEU 155.A N TYR 214.A O no hydrogen 2.935 N/A ILE 156.A N SER 180.A O no hydrogen 2.922 N/A GLN 157.A N ASN 216.A O no hydrogen 2.985 N/A ASN 158.A N VAL 178.A O no hydrogen 3.045 N/A ASN 158.A ND2 GLU 159.A O no hydrogen 2.918 N/A GLU 159.A N GLY 219.A O no hydrogen 2.876 N/A TRP 160.A N TYR 176.A O no hydrogen 3.009 N/A TRP 160.A NE1 GLY 193.A O no hydrogen 2.853 N/A TYR 161.A OH GLU 159.A OE2 no hydrogen 2.598 N/A LYS 162.A N ASP 168.A OD2 no hydrogen 2.992 N/A TYR 163.A OH LYS 44.A O no hydrogen 2.693 N/A ASN 164.A N TYR 43.A OH no hydrogen 3.316 N/A ASP 165.A N LYS 162.A O no hydrogen 3.298 N/A ASP 168.A N ASP 165.A OD1 no hydrogen 2.953 N/A PHE 169.A N ASP 165.A O no hydrogen 2.869 N/A GLN 170.A N MET 166.A O no hydrogen 2.992 N/A GLN 170.A NE2 MET 166.A O no hydrogen 3.092 N/A ASN 171.A N ASN 167.A O no hydrogen 3.002 N/A ASN 171.A ND2 ASN 167.A O no hydrogen 3.560 N/A ASN 171.A ND2 ASN 167.A OD1 no hydrogen 2.825 N/A GLY 172.A N ASP 168.A O no hydrogen 3.012 N/A SER 175.A N TRP 160.A O no hydrogen 3.048 N/A TYR 176.A N TRP 160.A O no hydrogen 3.186 N/A VAL 177.A N LYS 284.A O no hydrogen 3.085 N/A VAL 178.A N ASN 158.A O no hydrogen 2.948 N/A SER 180.A N ILE 156.A O no hydrogen 2.854 N/A SER 181.A N THR 191.A OG1 no hydrogen 2.903 N/A SER 181.A OG VAL 154.A O no hydrogen 2.945 N/A LYS 182.A NZ GLN 51.A OE1 no hydrogen 2.713 N/A LYS 182.A NZ PRO 53.A O no hydrogen 2.901 N/A LYS 182.A NZ THR 191.A O no hydrogen 2.559 N/A LYS 182.A NZ ASN 192.A OD1 no hydrogen 3.498 N/A ALA 183.A N ASN 190.A OD1 no hydrogen 2.872 N/A LEU 184.A N ASP 188.A OD2 no hydrogen 2.881 N/A LYS 185.A N ASP 188.A OD2 no hydrogen 3.135 N/A ASP 188.A N LYS 185.A O no hydrogen 2.956 N/A ASN 190.A ND2 GLN 51.A OE1 no hydrogen 2.963 N/A THR 191.A N SER 181.A O no hydrogen 2.755 N/A GLY 193.A N ALA 52.A O no hydrogen 2.823 N/A THR 195.A N ILE 37.A O no hydrogen 2.868 N/A THR 195.A OG1 ASP 38.A OD1 no hydrogen 2.766 N/A PHE 196.A N ASP 194.A OD1 no hydrogen 3.041 N/A THR 197.A N ASP 194.A OD1 no hydrogen 2.861 N/A THR 197.A OG1 ASP 194.A OD1 no hydrogen 3.283 N/A THR 197.A OG1 ASP 194.A OD2 no hydrogen 2.831 N/A LYS 199.A N PHE 196.A O no hydrogen 3.107 N/A LYS 199.A NZ THR 195.A O no hydrogen 2.947 N/A LYS 199.A NZ VAL 287.A O no hydrogen 2.831 N/A GLU 200.A N PHE 196.A O no hydrogen 2.976 N/A LYS 201.A N THR 197.A O no hydrogen 2.725 N/A LEU 203.A N MET 289.A O no hydrogen 2.906 N/A ALA 205.A N LYS 291.A O no hydrogen 2.839 N/A LYS 206.A N GLU 209.A OE2 no hydrogen 2.896 N/A VAL 207.A N THR 293.A O no hydrogen 3.029 N/A GLY 208.A N VAL 266.A O no hydrogen 2.705 N/A GLU 209.A N LYS 206.A O no hydrogen 3.117 N/A LYS 210.A N ASP 150.A OD2 no hydrogen 2.835 N/A LYS 210.A NZ GLU 148.A OE1 no hydrogen 3.184 N/A LYS 210.A NZ ASP 234.A OD2 no hydrogen 2.994 N/A ILE 211.A N PHE 264.A O no hydrogen 2.782 N/A ARG 212.A N ARG 151.A O no hydrogen 2.885 N/A ARG 212.A NE GLU 263.A OE2 no hydrogen 2.668 N/A ARG 212.A NH1 ASP 146.A OD1 no hydrogen 3.064 N/A ARG 212.A NH1 TYR 214.A OH no hydrogen 3.297 N/A ARG 212.A NH2 ASP 146.A OD1 no hydrogen 2.598 N/A ARG 212.A NH2 GLU 263.A OE2 no hydrogen 2.670 N/A LEU 213.A N VAL 262.A O no hydrogen 2.893 N/A TYR 214.A N TYR 153.A O no hydrogen 2.937 N/A TYR 214.A OH GLU 152.A OE1 no hydrogen 2.518 N/A ILE 215.A N ALA 260.A O no hydrogen 2.855 N/A ASN 216.A N LEU 155.A O no hydrogen 3.194 N/A ASN 216.A ND2 VAL 113.A O no hydrogen 3.191 N/A ASN 216.A ND2 SER 257.A O no hydrogen 3.137 N/A ASN 217.A N GLY 258.A O no hydrogen 2.820 N/A ASN 217.A ND2 GLU 222.A O no hydrogen 2.791 N/A ASN 217.A ND2 LEU 254.A O no hydrogen 3.531 N/A ASN 217.A ND2 PRO 255.A O no hydrogen 3.215 N/A VAL 218.A N GLN 157.A O no hydrogen 2.977 N/A GLY 219.A N ASN 217.A OD1 no hydrogen 3.220 N/A ASN 221.A N GLU 159.A OE1 no hydrogen 3.280 N/A ASN 221.A N GLU 159.A OE2 no hydrogen 2.932 N/A ASN 221.A ND2 TYR 161.A OH no hydrogen 3.003 N/A ASN 221.A ND2 PHE 169.A O no hydrogen 2.987 N/A GLU 222.A N GLU 159.A OE1 no hydrogen 2.808 N/A SER 224.A N LEU 254.A O no hydrogen 2.814 N/A SER 224.A OG GLN 157.A OE1 no hydrogen 2.844 N/A SER 225.A N THR 276.A OG1 no hydrogen 3.095 N/A SER 225.A OG GLN 278.A OE1 no hydrogen 2.720 N/A PHE 226.A N VAL 252.A O no hydrogen 3.010 N/A HIS 227.A N VAL 275.A O no hydrogen 2.984 N/A HIS 227.A ND1 GLN 250.A O no hydrogen 2.595 N/A VAL 229.A N PRO 273.A O no hydrogen 2.905 N/A THR 231.A OG1 VAL 232.A O no hydrogen 3.337 N/A THR 231.A OG1 THR 265.A O no hydrogen 2.916 N/A PHE 233.A N MET 249.A O no hydrogen 2.856 N/A ASP 235.A N GLU 263.A O no hydrogen 3.458 N/A VAL 236.A N LEU 246.A O no hydrogen 2.823 N/A TYR 237.A N VAL 261.A O no hydrogen 2.740 N/A TYR 237.A OH THR 145.A OG1 no hydrogen 2.753 N/A LEU 238.A N ASN 244.A O no hydrogen 3.052 N/A ASP 239.A N GLY 259.A O no hydrogen 2.655 N/A GLY 240.A N TYR 237.A O no hydrogen 2.926 N/A ASN 241.A N LEU 238.A O no hydrogen 3.231 N/A ASN 243.A N ASN 241.A OD1 no hydrogen 2.770 N/A ASN 243.A ND2 ASN 241.A OD1 no hydrogen 2.835 N/A ASN 244.A N ASN 241.A O no hydrogen 2.988 N/A ASN 244.A ND2 LEU 238.A O no hydrogen 3.090 N/A HIS 245.A N.A ASN 243.A O no hydrogen 3.051 N/A HIS 245.A N.B ASN 243.A O no hydrogen 3.017 N/A HIS 245.A NE2.A ASP 235.A OD1 no hydrogen 2.490 N/A HIS 245.A NE2.B ASP 235.A OD1 no hydrogen 2.961 N/A LEU 246.A N VAL 236.A O no hydrogen 2.800 N/A GLY 248.A N ASP 234.A O no hydrogen 3.281 N/A THR 251.A OG1 HIS 227.A ND1 no hydrogen 3.179 N/A VAL 252.A N PHE 226.A O no hydrogen 2.855 N/A LEU 254.A N SER 224.A O no hydrogen 2.813 N/A SER 257.A N ASN 217.A O no hydrogen 2.572 N/A SER 257.A OG ALA 256.A O no hydrogen 2.605 N/A GLY 258.A N PRO 255.A O no hydrogen 2.809 N/A GLY 259.A N ASP 239.A OD1 no hydrogen 2.909 N/A ALA 260.A N ILE 215.A O no hydrogen 2.934 N/A VAL 261.A N TYR 237.A O no hydrogen 3.018 N/A VAL 262.A N LEU 213.A O no hydrogen 2.971 N/A GLU 263.A N ASP 235.A O no hydrogen 2.922 N/A PHE 264.A N ILE 211.A O no hydrogen 3.024 N/A THR 265.A OG1 ASP 234.A OD2 no hydrogen 2.856 N/A VAL 266.A N GLU 209.A O no hydrogen 2.951 N/A ARG 268.A N TYR 272.A OH no hydrogen 3.091 N/A GLY 270.A N VAL 292.A O no hydrogen 2.973 N/A TYR 272.A N LEU 290.A O no hydrogen 2.712 N/A TYR 272.A OH ARG 268.A O no hydrogen 2.622 N/A ILE 274.A N ALA 288.A O no hydrogen 2.779 N/A VAL 275.A N HIS 227.A O no hydrogen 2.814 N/A HIS 277.A N SER 225.A O no hydrogen 2.748 N/A GLN 278.A NE2 VAL 223.A O no hydrogen 3.118 N/A HIS 281.A N ASN 280.A OD1 no hydrogen 3.029 N/A ALA 282.A N GLN 278.A O no hydrogen 3.324 N/A GLN 283.A N PHE 279.A O no hydrogen 2.811 N/A LYS 284.A N ASN 280.A O no hydrogen 3.061 N/A LYS 284.A NZ PRO 174.A O no hydrogen 2.803 N/A GLY 285.A N ALA 282.A O no hydrogen 3.156 N/A ALA 286.A N HIS 281.A O no hydrogen 3.208 N/A VAL 287.A N GLY 285.A O no hydrogen 2.991 N/A ALA 288.A N ILE 274.A O no hydrogen 2.807 N/A MET 289.A N LEU 198.A O no hydrogen 3.076 N/A LEU 290.A N TYR 272.A O no hydrogen 2.864 N/A LYS 291.A N LEU 203.A O no hydrogen 2.812 N/A VAL 292.A N GLY 270.A O no hydrogen 2.891 N/A THR 293.A N ALA 205.A O no hydrogen 2.993 N/A THR 295.A N THR 293.A OG1 no hydrogen 3.070 N/A THR 295.A OG1 GLU 294.A O.B no hydrogen 3.125 N/A