Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4hxc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N LEU 21.A O no hydrogen 2.965 N/A VAL 5.A N LEU 19.A O no hydrogen 2.801 N/A SER 6.A OG GLU 15.A OE1 no hydrogen 2.663 N/A SER 6.A OG HIS 81.A ND1 no hydrogen 3.115 N/A TYR 7.A N ASP 17.A O no hydrogen 2.939 N/A SER 8.A N ALA 80.A O no hydrogen 2.969 N/A LYS 12.A N GLU 108.A OE1 no hydrogen 3.107 N/A LYS 12.A NZ GLU 108.A O no hydrogen 3.045 N/A LYS 12.A NZ THR 110.A OG1 no hydrogen 2.950 N/A ALA 13.A N SER 10.A O no hydrogen 2.986 N/A THR 16.A N PRO 14.A O no hydrogen 2.823 N/A THR 16.A OG1 PRO 14.A O no hydrogen 3.185 N/A SER 18.A OG VAL 5.A O no hydrogen 3.514 N/A LEU 19.A N VAL 5.A O no hydrogen 2.837 N/A LEU 21.A N THR 3.A O no hydrogen 3.021 N/A ILE 23.A N THR 1.A O no hydrogen 3.256 N/A ASP 24.A N TYR 28.A O no hydrogen 2.982 N/A GLY 27.A N ASP 24.A O no hydrogen 3.075 N/A TYR 28.A N ASP 24.A OD1 no hydrogen 2.776 N/A TYR 28.A OH GLU 87.A OE2 no hydrogen 2.824 N/A ILE 29.A N VAL 248.A O no hydrogen 2.707 N/A THR 30.A N PRO 22.A O no hydrogen 2.747 N/A ILE 31.A N ILE 246.A O no hydrogen 2.893 N/A PHE 32.A N ILE 246.A O no hydrogen 3.234 N/A LYS 35.A N ASP 33.A OD1.A no hydrogen 3.193 N/A LYS 35.A NZ ASP 33.A OD2.B no hydrogen 3.229 N/A ASP 38.A N SER 36.A OG no hydrogen 3.378 N/A TRP 40.A N LEU 37.A O no hydrogen 2.967 N/A TRP 40.A NE1 ILE 31.A O no hydrogen 2.824 N/A ARG 41.A N ILE 78.A O no hydrogen 3.033 N/A ARG 41.A NE SER 8.A O no hydrogen 3.065 N/A ARG 41.A NH1 LYS 45.A O no hydrogen 2.842 N/A ARG 41.A NH1 GLU 108.A OE2 no hydrogen 2.783 N/A ARG 41.A NH2 SER 8.A OG no hydrogen 2.902 N/A ARG 41.A NH2 GLU 108.A OE1 no hydrogen 2.779 N/A ARG 41.A NH2 GLU 108.A OE2 no hydrogen 3.445 N/A GLY 42.A N LYS 47.A O no hydrogen 2.814 N/A TYR 43.A N ASP 76.A O no hydrogen 2.860 N/A TYR 43.A OH GLN 107.A O no hydrogen 3.282 N/A TYR 43.A OH GLU 121.A O no hydrogen 2.718 N/A GLY 44.A N GLU 108.A OE2 no hydrogen 2.722 N/A LYS 45.A N GLY 42.A O no hydrogen 2.941 N/A LYS 45.A NZ GLY 72.A O no hydrogen 3.299 N/A LYS 45.A NZ GLY 74.A O no hydrogen 2.731 N/A ARG 51.A N GLU 73.A O no hydrogen 3.078 N/A ARG 51.A NH1 CYS 62.A O no hydrogen 3.280 N/A ARG 51.A NH2 GLU 73.A OE2 no hydrogen 3.554 N/A TRP 52.A N PRO 49.A O no hydrogen 3.001 N/A TRP 52.A NE1 GLY 75.A O no hydrogen 2.764 N/A ILE 53.A N LYS 60.A O no hydrogen 2.816 N/A GLU 55.A N CYS 58.A O no hydrogen 2.800 N/A CYS 58.A N GLU 55.A O no hydrogen 3.027 N/A CYS 58.A SG ASP 56.A O no hydrogen 3.860 N/A LEU 59.A N TYR 243.A O no hydrogen 2.756 N/A LYS 60.A N ILE 53.A O no hydrogen 2.741 N/A LYS 60.A NZ GLU 55.A OE2 no hydrogen 3.486 N/A PHE 61.A N VAL 241.A O no hydrogen 3.035 N/A CYS 62.A N ARG 51.A O no hydrogen 2.892 N/A CYS 62.A SG ARG 51.A O no hydrogen 3.704 N/A GLY 63.A N ASP 240.A OD1 no hydrogen 2.937 N/A THR 64.A OG1 THR 66.A OG1 no hydrogen 3.376 N/A GLY 65.A N GLY 238.A O no hydrogen 2.727 N/A THR 66.A OG1 THR 64.A OG1 no hydrogen 3.376 N/A THR 66.A OG1 GLY 69.A O no hydrogen 2.757 N/A GLY 69.A N THR 66.A O no hydrogen 3.059 N/A GLN 70.A N GLU 68.A O no hydrogen 2.984 N/A GLN 70.A NE2 ASP 76.A OD1 no hydrogen 3.178 N/A GLN 70.A NE2 ASP 76.A OD2 no hydrogen 3.085 N/A GLN 70.A NE2 ASP 236.A O no hydrogen 3.064 N/A GLY 74.A N THR 71.A O no hydrogen 3.101 N/A GLY 75.A N ASP 236.A OD2 no hydrogen 2.693 N/A LEU 77.A N VAL 234.A O no hydrogen 2.946 N/A ILE 78.A N ARG 41.A O no hydrogen 2.927 N/A PHE 79.A N ILE 232.A O no hydrogen 2.977 N/A ALA 80.A N GLY 39.A O no hydrogen 2.881 N/A HIS 81.A N PHE 79.A O no hydrogen 2.692 N/A HIS 81.A ND1 SER 6.A O no hydrogen 2.686 N/A LYS 82.A N GLU 15.A OE2 no hydrogen 2.988 N/A PHE 83.A N GLY 230.A O no hydrogen 2.807 N/A PHE 86.A N VAL 176.A O no hydrogen 2.861 N/A GLU 87.A N LYS 249.A O no hydrogen 2.801 N/A LEU 88.A N ILE 175.A O no hydrogen 2.735 N/A GLU 89.A N ARG 247.A O no hydrogen 2.985 N/A LEU 90.A N ALA 173.A O no hydrogen 3.147 N/A GLU 91.A N ARG 244.A O no hydrogen 3.140 N/A TRP 92.A N ASN 171.A O no hydrogen 2.894 N/A LYS 93.A N TRP 242.A O no hydrogen 2.865 N/A LYS 93.A NZ GLY 168.A O no hydrogen 3.027 N/A SER 95.A N ASP 240.A O no hydrogen 3.348 N/A SER 95.A OG ASP 240.A O no hydrogen 2.627 N/A GLY 97.A N ASP 134.A OD2 no hydrogen 2.648 N/A GLY 98.A N SER 95.A O no hydrogen 2.945 N/A ASN 99.A N ASP 239.A OD2 no hydrogen 3.020 N/A SER 100.A N VAL 132.A O no hydrogen 2.931 N/A SER 100.A OG GLN 235.A O no hydrogen 2.794 N/A SER 100.A OG TYR 243.A OH no hydrogen 2.632 N/A GLY 101.A N SER 100.A OG no hydrogen 2.679 N/A ILE 102.A N PHE 130.A O no hydrogen 2.889 N/A PHE 103.A N GLY 233.A O no hydrogen 2.770 N/A TYR 104.A N PRO 128.A O no hydrogen 3.356 N/A TYR 104.A OH HIS 183.A NE2 no hydrogen 2.691 N/A TYR 104.A OH TYR 193.A OH no hydrogen 2.681 N/A ALA 106.A N PHE 231.A O no hydrogen 3.057 N/A GLN 107.A N SER 126.A OG no hydrogen 3.027 N/A VAL 109.A N TYR 43.A OH no hydrogen 3.272 N/A THR 110.A OG1 GLU 118.A OE2 no hydrogen 3.448 N/A SER 111.A N VAL 119.A O no hydrogen 2.832 N/A SER 111.A OG GLU 121.A OE2 no hydrogen 2.549 N/A ASP 113.A N ASN 117.A O no hydrogen 2.920 N/A GLY 116.A N ASP 113.A O no hydrogen 3.224 N/A ASN 117.A N ASP 113.A OD1 no hydrogen 2.788 N/A ASN 117.A ND2 ASP 113.A OD2 no hydrogen 3.301 N/A VAL 119.A N SER 111.A O no hydrogen 2.768 N/A GLU 121.A N VAL 109.A O no hydrogen 2.804 N/A ILE 125.A N PRO 122.A O no hydrogen 3.214 N/A SER 126.A N ILE 123.A O no hydrogen 3.233 N/A SER 126.A OG GLN 107.A O no hydrogen 3.398 N/A SER 126.A OG ILE 123.A O no hydrogen 3.304 N/A ALA 127.A N ILE 123.A O no hydrogen 3.044 N/A PHE 130.A N ILE 102.A O no hydrogen 2.869 N/A GLN 131.A N SER 153.A O no hydrogen 3.003 N/A GLN 131.A NE2 ASP 140.A OD2 no hydrogen 3.516 N/A GLN 131.A NE2 ARG 149.A O no hydrogen 2.807 N/A VAL 132.A N SER 100.A O no hydrogen 3.276 N/A ASP 134.A N GLY 98.A O no hydrogen 2.976 N/A ASN 135.A ND2 GLN 162.A OE1 no hydrogen 2.987 N/A ALA 136.A N ASP 134.A OD1 no hydrogen 3.241 N/A ASN 137.A N ASP 134.A O no hydrogen 3.280 N/A ASN 137.A ND2 ASP 134.A OD1 no hydrogen 3.523 N/A ASN 137.A ND2 ASP 134.A OD2 no hydrogen 2.879 N/A HIS 138.A N ASP 134.A O no hydrogen 2.854 N/A ASP 140.A N HIS 138.A ND1 no hydrogen 3.086 N/A ALA 141.A N HIS 138.A O no hydrogen 3.063 N/A LYS 142.A N PRO 139.A O no hydrogen 3.013 N/A LEU 143.A N ASP 140.A O no hydrogen 2.995 N/A LYS 145.A N ASN 148.A OD1 no hydrogen 3.087 N/A ASN 148.A N LYS 145.A O no hydrogen 3.044 N/A ARG 149.A NE ASP 156.A OD1 no hydrogen 2.929 N/A ARG 149.A NH1 ASP 140.A OD1 no hydrogen 3.463 N/A ARG 149.A NH2 ASP 156.A OD1 no hydrogen 2.984 N/A GLN 150.A N ASN 147.A O no hydrogen 3.282 N/A GLN 150.A NE2 ALA 141.A O no hydrogen 2.798 N/A ALA 151.A N ASN 135.A OD1 no hydrogen 2.927 N/A ALA 152.A N GLN 131.A O no hydrogen 2.707 N/A SER 153.A N GLN 150.A O no hydrogen 3.127 N/A SER 153.A OG ASN 147.A O no hydrogen 3.387 N/A SER 153.A OG GLN 150.A O no hydrogen 2.732 N/A LEU 154.A N ILE 157.A O no hydrogen 2.856 N/A TYR 155.A N GLU 129.A O no hydrogen 2.969 N/A TYR 155.A OH ASP 140.A OD2 no hydrogen 2.961 N/A ASP 156.A N ASN 148.A O no hydrogen 2.911 N/A ALA 159.A N SER 153.A OG no hydrogen 3.271 N/A VAL 160.A N VAL 190.A O no hydrogen 2.827 N/A GLN 162.A NE2 ALA 151.A O no hydrogen 2.795 N/A ASN 163.A ND2 GLN 185.A O no hydrogen 2.856 N/A ASN 163.A ND2 GLU 188.A OE1 no hydrogen 3.347 N/A ALA 164.A N GLN 162.A OE1 no hydrogen 3.233 N/A LYS 165.A N ASN 171.A OD1 no hydrogen 2.784 N/A GLY 168.A N ILE 94.A O no hydrogen 2.943 N/A GLU 169.A N PRO 166.A O no hydrogen 3.328 N/A ASN 171.A N TRP 92.A O no hydrogen 2.843 N/A ASN 171.A ND2 LYS 165.A O no hydrogen 3.546 N/A LYS 172.A N ASN 186.A OD1 no hydrogen 2.876 N/A LYS 172.A NZ ASP 187.A OD1 no hydrogen 3.256 N/A ALA 173.A N LEU 90.A O no hydrogen 2.858 N/A LYS 174.A N GLY 184.A O no hydrogen 2.917 N/A LYS 174.A NZ ASN 189.A OD1 no hydrogen 2.728 N/A ILE 175.A N LEU 88.A O no hydrogen 2.934 N/A TYR 177.A N THR 180.A O no hydrogen 2.851 N/A TYR 177.A OH ASP 252.A O no hydrogen 2.948 N/A LYS 178.A N ASN 85.A OD1 no hydrogen 2.750 N/A LYS 178.A NZ TYR 177.A OH no hydrogen 3.288 N/A THR 180.A N TYR 177.A O no hydrogen 2.865 N/A THR 180.A OG1 HIS 194.A ND1 no hydrogen 3.263 N/A VAL 181.A N TYR 193.A O no hydrogen 2.843 N/A HIS 183.A N LEU 191.A O no hydrogen 3.092 N/A HIS 183.A ND1 ALA 152.A O no hydrogen 2.814 N/A HIS 183.A NE2 TYR 104.A OH no hydrogen 2.691 N/A GLY 184.A N LYS 174.A O no hydrogen 2.791 N/A GLN 185.A N GLU 188.A O no hydrogen 2.808 N/A GLN 185.A NE2 ALA 151.A O no hydrogen 3.649 N/A GLN 185.A NE2 GLN 162.A OE1 no hydrogen 3.373 N/A GLN 185.A NE2 ASN 163.A OD1 no hydrogen 3.137 N/A ASN 186.A N LYS 172.A O no hydrogen 3.080 N/A ASN 186.A ND2 ASN 163.A O no hydrogen 2.881 N/A ASN 186.A ND2 ASN 171.A OD1 no hydrogen 3.058 N/A GLU 188.A N GLN 185.A O no hydrogen 3.038 N/A VAL 190.A N HIS 183.A O no hydrogen 2.831 N/A TYR 193.A N VAL 181.A O no hydrogen 2.918 N/A TYR 193.A OH TYR 104.A OH no hydrogen 2.681 N/A LEU 195.A N GLY 179.A O no hydrogen 2.872 N/A TRP 196.A NE1 CYS 223.A O no hydrogen 2.887 N/A THR 197.A OG1 HIS 194.A O no hydrogen 3.045 N/A LYS 198.A NZ GLU 202.A OE1 no hydrogen 3.080 N/A TRP 200.A N THR 197.A OG1 no hydrogen 3.291 N/A TRP 200.A NE1 LEU 220.A O no hydrogen 2.804 N/A THR 201.A N THR 197.A O no hydrogen 3.100 N/A THR 201.A OG1 THR 197.A O no hydrogen 3.108 N/A THR 201.A OG1 ASN 221.A OD1 no hydrogen 2.667 N/A GLU 202.A N LYS 198.A O no hydrogen 2.977 N/A GLN 204.A N THR 201.A O no hydrogen 2.971 N/A GLN 204.A NE2 GLU 210.A OE1 no hydrogen 3.403 N/A ALA 205.A N GLU 202.A O no hydrogen 3.312 N/A SER 206.A N LEU 203.A O no hydrogen 3.200 N/A SER 206.A OG LEU 203.A O no hydrogen 2.655 N/A PHE 208.A N SER 206.A OG no hydrogen 3.201 N/A GLU 210.A N GLN 204.A OE1 no hydrogen 2.886 N/A LYS 212.A N SER 209.A OG no hydrogen 3.180 N/A TRP 213.A N SER 209.A O no hydrogen 2.936 N/A PHE 217.A N TRP 213.A O no hydrogen 2.847 N/A GLU 218.A N PRO 214.A O no hydrogen 3.095 N/A LEU 219.A N LEU 215.A O no hydrogen 3.093 N/A LEU 220.A N ALA 216.A O no hydrogen 2.945 N/A ASN 221.A N PHE 217.A O no hydrogen 2.795 N/A ASN 222.A N GLU 218.A O no hydrogen 3.288 N/A CYS 223.A SG SER 126.A O no hydrogen 3.910 N/A GLY 225.A N ASN 222.A O no hydrogen 2.999 N/A ASN 227.A ND2 GLU 229.A OE2 no hydrogen 3.242 N/A HIS 228.A N GLY 225.A O no hydrogen 3.070 N/A HIS 228.A NE2 ASN 222.A OD1 no hydrogen 3.269 N/A GLU 229.A N GLY 224.A O no hydrogen 2.984 N/A GLY 230.A N PHE 83.A O no hydrogen 2.869 N/A PHE 231.A N ALA 106.A O no hydrogen 2.916 N/A GLY 233.A N PHE 103.A O no hydrogen 2.908 N/A VAL 234.A N LEU 77.A O no hydrogen 2.824 N/A GLN 235.A N GLY 101.A O no hydrogen 2.915 N/A ASP 236.A N ASP 76.A OD1 no hydrogen 2.886 N/A GLY 238.A N ASP 236.A OD1 no hydrogen 2.893 N/A TRP 242.A N LYS 93.A O no hydrogen 2.933 N/A TRP 242.A NE1 GLU 55.A OE1 no hydrogen 2.853 N/A TYR 243.A N LEU 59.A O no hydrogen 2.827 N/A TYR 243.A OH SER 100.A OG no hydrogen 2.632 N/A ARG 244.A N GLU 91.A O no hydrogen 2.975 N/A ARG 244.A NE GLU 91.A OE1 no hydrogen 3.370 N/A ARG 244.A NH2 GLU 91.A OE2 no hydrogen 2.832 N/A ASN 245.A ND2.A GLU 91.A OE1 no hydrogen 2.817 N/A ILE 246.A N PHE 32.A O no hydrogen 3.176 N/A ARG 247.A N GLU 89.A O no hydrogen 3.017 N/A ARG 247.A NH2.A GLU 89.A OE1 no hydrogen 3.257 N/A VAL 248.A N ILE 29.A O no hydrogen 2.830 N/A LYS 249.A N GLU 87.A O no hydrogen 2.954 N/A LYS 249.A NZ ASP 26.A O no hydrogen 2.832 N/A LEU 251.A N ASN 85.A O no hydrogen 2.867 N/A