Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wk1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N ASP 1.A O no hydrogen 2.771 N/A LEU 6.A N SER 2.A O no hydrogen 2.915 N/A ASP 7.A N SER 3.A O no hydrogen 2.996 N/A LEU 8.A N LEU 4.A O no hydrogen 3.059 N/A MET 9.A N TYR 5.A O no hydrogen 2.842 N/A ILE 10.A N LEU 6.A O no hydrogen 3.044 N/A LYS 11.A N ASP 7.A O no hydrogen 3.344 N/A VAL 12.A N LEU 8.A O no hydrogen 2.887 N/A LEU 13.A N MET 9.A O no hydrogen 2.841 N/A ALA 14.A N ILE 10.A O no hydrogen 3.243 N/A GLY 15.A N VAL 12.A O no hydrogen 3.015 N/A THR 16.A OG1 LYS 11.A O no hydrogen 3.311 N/A VAL 17.A N LYS 11.A O no hydrogen 3.329 N/A GLU 19.A N THR 16.A O no hydrogen 3.236 N/A ASP 20.A N GLY 15.A O no hydrogen 2.909 N/A ALA 22.A N THR 26.A O no hydrogen 3.206 N/A HIS 23.A N TRP 38.A O no hydrogen 2.729 N/A GLU 25.A N HIS 23.A ND1 no hydrogen 3.095 N/A GLU 30.A N GLU 30.A OE1 no hydrogen 2.816 N/A ARG 32.A N ARG 28.A O no hydrogen 3.038 N/A ARG 32.A NE ASP 37.A OD1 no hydrogen 2.801 N/A ARG 32.A NH1 ALA 14.A O no hydrogen 2.953 N/A ARG 32.A NH1 ASP 20.A O no hydrogen 2.959 N/A ARG 32.A NH2 ASP 20.A O no hydrogen 2.852 N/A ARG 32.A NH2 ASP 37.A OD1 no hydrogen 3.514 N/A ARG 32.A NH2 ASP 37.A OD2 no hydrogen 2.859 N/A ASN 33.A N GLU 29.A O no hydrogen 2.818 N/A GLU 34.A N VAL 31.A O no hydrogen 3.278 N/A GLY 35.A N ARG 32.A O no hydrogen 3.146 N/A ARG 36.A N VAL 31.A O no hydrogen 3.028 N/A ARG 36.A NE ASP 234.A OD2 no hydrogen 2.703 N/A ARG 36.A NH2 ASP 234.A OD1 no hydrogen 3.157 N/A ARG 36.A NH2 ASP 234.A OD2 no hydrogen 3.243 N/A ALA 40.A N PRO 21.A O no hydrogen 2.826 N/A ASN 41.A N ASP 20.A OD2 no hydrogen 2.760 N/A ASN 41.A ND2 ASP 20.A OD1 no hydrogen 2.939 N/A ALA 42.A N ASP 20.A OD2 no hydrogen 2.857 N/A HIS 43.A N LEU 13.A O no hydrogen 3.032 N/A HIS 43.A ND1 TYR 144.A OH no hydrogen 2.773 N/A THR 44.A N LEU 13.A O no hydrogen 3.310 N/A ILE 46.A N THR 44.A OG1 no hydrogen 3.148 N/A ILE 48.A N ARG 32.A O no hydrogen 3.326 N/A LYS 49.A N ASN 33.A O no hydrogen 3.014 N/A LYS 49.A NZ GLU 34.A OE2 no hydrogen 3.393 N/A ARG 50.A NE ASP 232.A OD2 no hydrogen 2.726 N/A ARG 50.A NH1 ASP 203.A OD1 no hydrogen 2.825 N/A ARG 50.A NH2 GLU 34.A O no hydrogen 2.961 N/A ARG 50.A NH2 GLY 35.A O no hydrogen 3.069 N/A ARG 50.A NH2 ASP 232.A OD2 no hydrogen 3.542 N/A LEU 51.A N GLY 47.A O no hydrogen 3.017 N/A GLU 52.A N ILE 48.A O no hydrogen 2.810 N/A ASN 53.A N LYS 49.A O no hydrogen 2.977 N/A ILE 54.A N ARG 50.A O no hydrogen 3.139 N/A ARG 55.A N LEU 51.A O no hydrogen 3.034 N/A ARG 55.A NE GLU 59.A OE1 no hydrogen 3.443 N/A ARG 55.A NH1 ASP 7.A OD1 no hydrogen 2.600 N/A ARG 55.A NH2 SER 3.A OG no hydrogen 3.251 N/A GLN 56.A N GLU 52.A O no hydrogen 2.887 N/A CYS 57.A N ASN 53.A O no hydrogen 2.963 N/A CYS 57.A SG ASN 53.A O no hydrogen 3.428 N/A VAL 58.A N ILE 54.A O no hydrogen 2.862 N/A GLU 59.A N ARG 55.A O no hydrogen 2.851 N/A ASP 60.A N GLN 56.A O no hydrogen 2.951 N/A VAL 61.A N CYS 57.A O no hydrogen 3.012 N/A ILE 62.A N VAL 58.A O no hydrogen 3.009 N/A GLY 63.A N GLU 59.A O no hydrogen 2.820 N/A ASN 64.A N ASP 60.A O no hydrogen 2.907 N/A ASN 64.A ND2 ASP 60.A O no hydrogen 3.225 N/A ASN 65.A N ILE 62.A O no hydrogen 3.199 N/A VAL 66.A N VAL 61.A O no hydrogen 2.918 N/A ASP 69.A N THR 169.A O no hydrogen 2.910 N/A LEU 70.A N THR 97.A O no hydrogen 2.937 N/A VAL 71.A N VAL 172.A O no hydrogen 3.068 N/A GLU 72.A N TRP 99.A O no hydrogen 3.156 N/A THR 73.A N ARG 174.A O no hydrogen 2.945 N/A THR 73.A OG1 ARG 174.A O no hydrogen 3.433 N/A THR 73.A OG1 THR 186.A OG1 no hydrogen 3.405 N/A GLY 74.A N ALA 101.A O no hydrogen 2.868 N/A VAL 75.A N ASP 102.A OD2 no hydrogen 2.802 N/A TRP 76.A NE1 VAL 129.A O no hydrogen 2.894 N/A ARG 77.A NH1 PRO 39.A O no hydrogen 2.931 N/A ARG 77.A NH1 ALA 42.A O no hydrogen 2.864 N/A ARG 77.A NH2 ALA 40.A O no hydrogen 2.936 N/A GLY 78.A N VAL 75.A O no hydrogen 2.781 N/A GLY 79.A N HIS 43.A O no hydrogen 2.835 N/A CYS 81.A SG GLU 72.A OE1 no hydrogen 3.507 N/A ILE 82.A N GLY 78.A O no hydrogen 2.899 N/A LEU 83.A N GLY 79.A O no hydrogen 2.971 N/A MET 84.A N ALA 80.A O no hydrogen 3.058 N/A ARG 85.A N CYS 81.A O no hydrogen 3.002 N/A ARG 85.A NE ASP 148.A OD1 no hydrogen 2.961 N/A ARG 85.A NH1 ARG 85.A O no hydrogen 2.950 N/A ARG 85.A NH2 ASP 148.A OD1 no hydrogen 3.504 N/A ARG 85.A NH2 ASP 148.A OD2 no hydrogen 2.727 N/A GLY 86.A N ILE 82.A O no hydrogen 2.861 N/A ILE 87.A N LEU 83.A O no hydrogen 2.850 N/A LEU 88.A N MET 84.A O no hydrogen 3.221 N/A ARG 89.A N ARG 85.A O no hydrogen 2.998 N/A ALA 90.A N GLY 86.A O no hydrogen 2.849 N/A HIS 91.A N ILE 87.A O no hydrogen 3.175 N/A HIS 91.A N LEU 88.A O no hydrogen 3.235 N/A HIS 91.A NE2 GLU 59.A OE2 no hydrogen 2.811 N/A ASP 92.A N ARG 89.A O no hydrogen 3.052 N/A VAL 93.A N LEU 88.A O no hydrogen 2.913 N/A ARG 94.A NE ASP 92.A OD1 no hydrogen 2.892 N/A ARG 94.A NH2 ASP 92.A OD1 no hydrogen 3.298 N/A ARG 96.A NH1 VAL 66.A O no hydrogen 2.781 N/A ARG 96.A NH1 GLY 68.A O no hydrogen 2.787 N/A ARG 96.A NH2 VAL 66.A O no hydrogen 2.897 N/A THR 97.A N ASP 69.A OD1 no hydrogen 2.945 N/A VAL 98.A N GLN 150.A O no hydrogen 2.873 N/A TRP 99.A N LEU 70.A O no hydrogen 2.840 N/A TRP 99.A NE1 ASP 69.A OD2 no hydrogen 2.934 N/A VAL 100.A N ARG 152.A O no hydrogen 2.799 N/A ALA 101.A N GLU 72.A O no hydrogen 3.073 N/A ASP 102.A N LEU 154.A O no hydrogen 3.253 N/A SER 103.A OG ASP 102.A OD1 no hydrogen 3.412 N/A SER 103.A OG GLY 106.A O no hydrogen 2.746 N/A PHE 104.A N ASP 102.A OD1 no hydrogen 2.771 N/A GLN 105.A N SER 103.A OG no hydrogen 2.897 N/A ILE 107.A N ASN 127.A OD1 no hydrogen 2.861 N/A GLY 111.A N ASP 109.A OD1 no hydrogen 3.180 N/A GLY 114.A N GLY 111.A O no hydrogen 3.150 N/A TYR 115.A OH ASP 213.A OD2 no hydrogen 2.615 N/A ARG 119.A N TYR 115.A O no hydrogen 2.926 N/A ARG 119.A NH1 GLY 114.A O no hydrogen 2.872 N/A LYS 120.A N ALA 116.A O no hydrogen 3.032 N/A MET 121.A N ASP 118.A O no hydrogen 3.234 N/A ALA 122.A N ASP 118.A O no hydrogen 3.327 N/A ARG 125.A N ALA 122.A O no hydrogen 3.029 N/A ARG 126.A N LEU 123.A O no hydrogen 2.920 N/A ASN 127.A N HIS 124.A O no hydrogen 3.107 N/A ASN 127.A ND2 ILE 107.A O no hydrogen 2.896 N/A SER 128.A OG GLU 25.A OE1 no hydrogen 2.757 N/A VAL 129.A N ARG 126.A O no hydrogen 3.026 N/A LEU 130.A N ARG 126.A O no hydrogen 2.983 N/A ALA 131.A N ASN 127.A O no hydrogen 2.929 N/A GLU 136.A N SER 133.A OG no hydrogen 3.092 N/A VAL 137.A N SER 133.A O no hydrogen 3.073 N/A ARG 138.A N GLU 134.A O no hydrogen 2.829 N/A ARG 138.A NE GLU 134.A OE2 no hydrogen 2.961 N/A ARG 138.A NH2 GLU 134.A OE2 no hydrogen 3.157 N/A ARG 139.A N GLU 135.A O no hydrogen 2.917 N/A ASN 140.A N GLU 136.A O no hydrogen 2.930 N/A ASN 140.A ND2 ARG 77.A O no hydrogen 2.934 N/A PHE 141.A N VAL 137.A O no hydrogen 3.006 N/A ARG 142.A N ARG 138.A O no hydrogen 2.938 N/A ASN 143.A N ARG 139.A O no hydrogen 2.866 N/A TYR 144.A N PHE 141.A O no hydrogen 3.124 N/A TYR 144.A OH HIS 43.A ND1 no hydrogen 2.773 N/A ASP 145.A N ARG 142.A O no hydrogen 2.834 N/A LEU 146.A N PHE 141.A O no hydrogen 2.961 N/A GLU 149.A N GLU 149.A OE1 no hydrogen 2.750 N/A GLN 150.A N ASP 148.A OD1 no hydrogen 3.016 N/A GLN 150.A NE2 VAL 93.A O no hydrogen 2.867 N/A GLN 150.A NE2 ARG 96.A O no hydrogen 2.898 N/A VAL 151.A N ASP 148.A O no hydrogen 3.152 N/A ARG 152.A N VAL 98.A O no hydrogen 2.881 N/A LEU 154.A N VAL 100.A O no hydrogen 2.873 N/A GLY 156.A N ASP 102.A O no hydrogen 2.896 N/A ASP 160.A N TRP 157.A O no hydrogen 2.833 N/A THR 161.A N TRP 157.A O no hydrogen 2.977 N/A THR 161.A OG1 TRP 157.A O no hydrogen 3.372 N/A LEU 162.A N PHE 158.A O no hydrogen 2.969 N/A ALA 165.A N LEU 162.A O no hydrogen 3.320 N/A ILE 167.A N ALA 165.A O no hydrogen 2.842 N/A LEU 170.A N LYS 193.A O no hydrogen 2.850 N/A ALA 171.A N ASP 69.A O no hydrogen 2.784 N/A VAL 172.A N ASP 69.A O no hydrogen 3.462 N/A LEU 173.A N TYR 199.A O no hydrogen 2.888 N/A ARG 174.A N VAL 71.A O no hydrogen 2.907 N/A ARG 174.A NH1 GLU 72.A OE2 no hydrogen 2.894 N/A ARG 174.A NH1 ASP 176.A OD2 no hydrogen 3.138 N/A ARG 174.A NH1 ASP 203.A OD1 no hydrogen 3.460 N/A ARG 174.A NH2 ASP 203.A OD1 no hydrogen 2.738 N/A MET 175.A N ILE 201.A O no hydrogen 2.843 N/A ASP 176.A N THR 73.A O no hydrogen 2.885 N/A LEU 179.A N GLY 177.A O no hydrogen 2.854 N/A TYR 180.A N ASP 118.A OD1 no hydrogen 2.763 N/A TYR 180.A OH GLU 217.A OE1.A no hydrogen 2.428 N/A TYR 180.A OH GLU 217.A OE1.B no hydrogen 2.825 N/A GLU 181.A N ASP 118.A OD2 no hydrogen 3.000 N/A SER 182.A OG GLY 177.A O no hydrogen 3.362 N/A THR 183.A N LEU 179.A O no hydrogen 3.015 N/A THR 183.A OG1 LEU 179.A O no hydrogen 2.824 N/A TRP 184.A N TYR 180.A O no hydrogen 2.840 N/A ASP 185.A N GLU 181.A O no hydrogen 2.918 N/A THR 186.A N SER 182.A O no hydrogen 3.024 N/A THR 186.A OG1 THR 73.A OG1 no hydrogen 3.405 N/A THR 186.A OG1 SER 182.A O no hydrogen 2.888 N/A LEU 187.A N THR 183.A O no hydrogen 2.954 N/A THR 188.A N TRP 184.A O no hydrogen 2.906 N/A THR 188.A OG1 TRP 184.A O no hydrogen 3.043 N/A THR 188.A OG1 ASP 185.A O no hydrogen 3.363 N/A ASN 189.A N ASP 185.A O no hydrogen 3.284 N/A ASN 189.A ND2 ASP 185.A O no hydrogen 2.845 N/A LEU 190.A N THR 186.A O no hydrogen 2.842 N/A TYR 191.A N LEU 187.A O no hydrogen 2.963 N/A LYS 193.A N LEU 190.A O no hydrogen 2.955 N/A LYS 193.A NZ ILE 167.A O no hydrogen 3.001 N/A VAL 194.A N TYR 191.A O no hydrogen 2.938 N/A SER 195.A N LEU 170.A O no hydrogen 2.886 N/A SER 195.A OG PRO 67.A O no hydrogen 2.723 N/A SER 195.A OG LEU 170.A O no hydrogen 3.533 N/A GLY 197.A N ARG 240.A O no hydrogen 2.783 N/A GLY 198.A N SER 195.A O no hydrogen 2.883 N/A TYR 199.A N ALA 171.A O no hydrogen 2.948 N/A TYR 199.A OH ASP 60.A OD2 no hydrogen 2.545 N/A VAL 200.A N TRP 238.A O no hydrogen 2.943 N/A ILE 201.A N LEU 173.A O no hydrogen 2.871 N/A VAL 202.A N VAL 236.A O no hydrogen 2.823 N/A ASP 203.A N MET 175.A O no hydrogen 2.995 N/A TYR 205.A N ASP 234.A O no hydrogen 3.092 N/A TYR 205.A OH ASP 216.A OD1 no hydrogen 2.582 N/A TYR 205.A OH ASP 216.A OD2 no hydrogen 3.357 N/A MET 206.A N ASP 234.A O no hydrogen 2.975 N/A CYS 208.A N TYR 205.A O no hydrogen 3.515 N/A CYS 208.A SG ASP 178.A O no hydrogen 3.782 N/A CYS 211.A SG ASP 178.A O no hydrogen 3.312 N/A LYS 212.A N CYS 208.A O no hydrogen 2.880 N/A LYS 212.A NZ MET 206.A O no hydrogen 2.841 N/A ASP 213.A N PRO 209.A O no hydrogen 2.846 N/A ALA 214.A N PRO 210.A O no hydrogen 3.065 N/A VAL 215.A N CYS 211.A O no hydrogen 3.018 N/A ASP 216.A N LYS 212.A O no hydrogen 2.942 N/A GLU 217.A N ASP 213.A O no hydrogen 2.891 N/A TYR 218.A N ALA 214.A O no hydrogen 2.971 N/A ARG 219.A N VAL 215.A O no hydrogen 2.970 N/A ARG 219.A NH1 ASP 226.A O no hydrogen 2.870 N/A ARG 219.A NH2 ASP 226.A O no hydrogen 2.778 N/A ALA 220.A N ASP 216.A O no hydrogen 2.943 N/A LYS 221.A N GLU 217.A O no hydrogen 2.865 N/A PHE 222.A N TYR 218.A O no hydrogen 3.057 N/A ASP 223.A N ALA 220.A O no hydrogen 3.312 N/A ILE 224.A N ARG 219.A O no hydrogen 2.853 N/A ILE 229.A N TYR 237.A O no hydrogen 2.830 N/A ILE 231.A N GLY 235.A O no hydrogen 2.874 N/A ASP 234.A N ASP 232.A OD1 no hydrogen 2.901 N/A GLY 235.A N ASP 232.A OD1 no hydrogen 2.851 N/A VAL 236.A N VAL 202.A O no hydrogen 3.053 N/A TYR 237.A N ILE 229.A O no hydrogen 2.878 N/A TRP 238.A N VAL 200.A O no hydrogen 2.919 N/A TRP 238.A NE1 TYR 191.A OH no hydrogen 3.338 N/A GLN 239.A NE2 GLY 197.A O no hydrogen 3.013 N/A ARG 240.A N GLY 198.A O no hydrogen 2.900 N/A ARG 240.A NE.A ARG 242.A O no hydrogen 2.578 N/A ARG 240.A NE.B ARG 242.A O no hydrogen 3.131 N/A ARG 240.A NH1.A VAL 194.A O no hydrogen 2.859 N/A ARG 240.A NH1.B VAL 194.A O no hydrogen 2.813 N/A ARG 240.A NH2.A ARG 242.A O no hydrogen 3.344 N/A ARG 240.A NH2.A ARG 242.A OXT no hydrogen 2.847 N/A THR 241.A N ASP 226.A OD2 no hydrogen 2.967 N/A THR 241.A OG1 ASP 226.A OD1 no hydrogen 2.575 N/A THR 241.A OG1 ASP 226.A OD2 no hydrogen 3.512 N/A