Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2jgy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N TYR 245.A OH no hydrogen 3.111 N/A GLY 7.A N GLN 27.A OE1 no hydrogen 2.923 N/A ALA 8.A N SER 5.A OG no hydrogen 3.063 N/A ARG 9.A N SER 5.A O no hydrogen 3.007 N/A ARG 9.A NE PRO 189.A O no hydrogen 2.894 N/A ARG 9.A NH1 ASP 216.A OD1 no hydrogen 2.806 N/A ARG 9.A NH2 PRO 189.A O no hydrogen 3.149 N/A ARG 9.A NH2 ASP 216.A OD2 no hydrogen 3.034 N/A ALA 10.A N PHE 6.A O no hydrogen 2.953 N/A GLU 11.A N ALA 8.A O no hydrogen 3.120 N/A LEU 12.A N ARG 9.A O no hydrogen 3.105 N/A ARG 14.A NE GLU 190.A OE2 no hydrogen 3.063 N/A ARG 14.A NH2 GLU 190.A OE1 no hydrogen 3.344 N/A ARG 14.A NH2 GLU 190.A OE2 no hydrogen 3.049 N/A ILE 15.A N LEU 12.A O no hydrogen 3.169 N/A VAL 18.A N HIS 16.A ND1 no hydrogen 2.981 N/A SER 20.A N HIS 16.A O no hydrogen 2.845 N/A SER 20.A OG ALA 10.A O no hydrogen 2.901 N/A LYS 21.A N PRO 17.A O no hydrogen 2.994 N/A LEU 22.A N VAL 18.A O no hydrogen 3.018 N/A LEU 23.A N ALA 19.A O no hydrogen 2.846 N/A ARG 24.A N.A SER 20.A O no hydrogen 2.919 N/A ARG 24.A N.B SER 20.A O no hydrogen 2.905 N/A ARG 24.A NE.A SER 20.A OG no hydrogen 3.180 N/A ARG 24.A NH2.B GLU 11.A OE2 no hydrogen 3.251 N/A LEU 25.A N LYS 21.A O no hydrogen 3.055 N/A MET 26.A N LEU 22.A O no hydrogen 2.950 N/A GLN 27.A N LEU 23.A O no hydrogen 3.019 N/A LYS 28.A N ARG 24.A O.A no hydrogen 2.917 N/A LYS 28.A N ARG 24.A O.B no hydrogen 2.907 N/A LYS 28.A NZ GLU 85.A OE1 no hydrogen 2.621 N/A LYS 28.A NZ GLU 85.A OE2 no hydrogen 3.479 N/A LYS 29.A N LEU 25.A O no hydrogen 2.931 N/A LYS 29.A NZ GLY 53.A O no hydrogen 2.814 N/A LYS 29.A NZ ILE 56.A O no hydrogen 2.728 N/A LYS 29.A NZ HIS 84.A O no hydrogen 2.738 N/A LYS 29.A NZ GLU 85.A O no hydrogen 2.746 N/A THR 31.A N MET 26.A O no hydrogen 3.214 N/A THR 31.A OG1 SER 55.A O no hydrogen 2.607 N/A LEU 33.A N THR 31.A OG1 no hydrogen 3.160 N/A CYS 34.A N ILE 218.A O no hydrogen 2.885 N/A LEU 35.A N MET 58.A O no hydrogen 3.001 N/A SER 36.A N VAL 220.A O no hydrogen 2.901 N/A ALA 37.A N LYS 60.A O no hydrogen 2.863 N/A VAL 39.A N ALA 37.A O no hydrogen 3.059 N/A SER 40.A N GLU 44.A OE2 no hydrogen 3.185 N/A LEU 41.A N GLU 44.A OE2 no hydrogen 3.084 N/A ALA 42.A N ASP 68.A OD1 no hydrogen 2.764 N/A ARG 43.A NH1 GLN 47.A OE1 no hydrogen 2.768 N/A LEU 45.A N LEU 41.A O no hydrogen 3.108 N/A LEU 46.A N ALA 42.A O no hydrogen 2.896 N/A GLN 47.A N ARG 43.A O no hydrogen 2.931 N/A LEU 48.A N GLU 44.A O no hydrogen 3.029 N/A ALA 49.A N LEU 45.A O no hydrogen 3.052 N/A ASP 50.A N LEU 46.A O no hydrogen 2.926 N/A ALA 51.A N GLN 47.A O no hydrogen 2.989 N/A LEU 52.A N LEU 48.A O no hydrogen 2.887 N/A GLY 53.A N ALA 49.A O no hydrogen 2.888 N/A SER 55.A N LEU 52.A O no hydrogen 2.858 N/A SER 55.A OG GLU 235.A OE2 no hydrogen 2.657 N/A ILE 56.A N GLY 53.A O no hydrogen 3.290 N/A CYS 57.A N LEU 33.A O no hydrogen 2.871 N/A CYS 57.A SG LEU 33.A O no hydrogen 3.470 N/A LEU 59.A N LEU 87.A O.A no hydrogen 2.887 N/A LEU 59.A N LEU 87.A O.B no hydrogen 2.902 N/A LYS 60.A N LEU 35.A O no hydrogen 2.766 N/A LYS 60.A NZ ASP 91.A OD2 no hydrogen 2.792 N/A THR 61.A N PHE 89.A O no hydrogen 2.742 N/A THR 61.A OG1 PHE 89.A O no hydrogen 3.511 N/A THR 61.A OG1 GLU 90.A OE1 no hydrogen 2.781 N/A VAL 63.A N GLU 90.A OE1 no hydrogen 2.867 N/A ILE 65.A N HIS 62.A O no hydrogen 3.115 N/A LEU 66.A N VAL 63.A O no hydrogen 3.152 N/A ASN 67.A N SER 40.A O no hydrogen 2.760 N/A PHE 69.A N LEU 66.A O no hydrogen 3.261 N/A VAL 73.A N THR 70.A OG1 no hydrogen 3.088 N/A MET 74.A N.A THR 70.A O no hydrogen 3.354 N/A MET 74.A N.B THR 70.A O no hydrogen 3.366 N/A LYS 75.A N LEU 71.A O no hydrogen 2.925 N/A GLU 76.A N ASP 72.A O no hydrogen 3.069 N/A LEU 77.A N VAL 73.A O no hydrogen 2.981 N/A ILE 78.A N MET 74.A O.A no hydrogen 2.880 N/A ILE 78.A N MET 74.A O.B no hydrogen 2.940 N/A THR 79.A N LYS 75.A O no hydrogen 3.040 N/A THR 79.A OG1 LYS 75.A O no hydrogen 3.241 N/A LEU 80.A N GLU 76.A O no hydrogen 3.164 N/A ALA 81.A N LEU 77.A O no hydrogen 2.832 N/A LYS 82.A N ILE 78.A O no hydrogen 2.906 N/A CYS 83.A N THR 79.A O no hydrogen 2.835 N/A CYS 83.A SG THR 79.A O no hydrogen 3.167 N/A HIS 84.A N LEU 80.A O no hydrogen 2.849 N/A HIS 84.A NE2 ASP 50.A OD1 no hydrogen 2.796 N/A PHE 86.A N ALA 81.A O no hydrogen 2.950 N/A LEU 87.A N.A CYS 57.A O no hydrogen 2.996 N/A LEU 87.A N.B CYS 57.A O no hydrogen 3.016 N/A ILE 88.A N ASP 117.A OD2 no hydrogen 2.761 N/A PHE 89.A N LEU 59.A O no hydrogen 2.882 N/A GLU 90.A N LEU 118.A O no hydrogen 2.943 N/A ASP 91.A N THR 61.A O no hydrogen 2.921 N/A ARG 92.A NH1 ARG 92.A O no hydrogen 2.848 N/A LYS 93.A N ASN 120.A OD1 no hydrogen 2.881 N/A LYS 93.A NZ ASP 91.A OD1 no hydrogen 2.693 N/A PHE 94.A N ASN 120.A O no hydrogen 3.095 N/A ILE 97.A N ASP 96.A OD1 no hydrogen 2.681 N/A THR 100.A N ILE 97.A O no hydrogen 3.116 N/A VAL 101.A N ILE 97.A O no hydrogen 3.110 N/A LYS 102.A N GLY 98.A O no hydrogen 3.087 N/A LYS 102.A NZ GLU 106.A OE1 no hydrogen 3.114 N/A LYS 103.A NZ ASN 99.A O no hydrogen 3.080 N/A GLN 104.A N THR 100.A O no hydrogen 3.001 N/A TYR 105.A N VAL 101.A O no hydrogen 2.877 N/A GLU 106.A N LYS 102.A O no hydrogen 3.052 N/A GLY 107.A N LYS 103.A O no hydrogen 2.768 N/A LYS 111.A N GLY 107.A O no hydrogen 3.156 N/A LYS 111.A NZ GLY 108.A O no hydrogen 2.774 N/A ALA 113.A N TYR 105.A O no hydrogen 2.857 N/A SER 114.A N LYS 111.A O no hydrogen 2.953 N/A SER 114.A OG LYS 111.A O no hydrogen 2.703 N/A TRP 115.A N ILE 112.A O no hydrogen 3.035 N/A TRP 115.A NE1 PHE 110.A O no hydrogen 2.869 N/A ALA 116.A N ILE 112.A O no hydrogen 2.937 N/A LEU 118.A N ILE 88.A O no hydrogen 3.008 N/A VAL 119.A N GLY 143.A O no hydrogen 3.332 N/A ASN 120.A ND2 ASP 91.A OD1 no hydrogen 2.798 N/A ALA 121.A N LEU 145.A O no hydrogen 2.926 N/A HIS 122.A N PHE 94.A O no hydrogen 2.891 N/A GLY 126.A N VAL 123.A O no hydrogen 2.877 N/A VAL 129.A N GLY 126.A O no hydrogen 3.230 N/A LYS 131.A N SER 127.A O no hydrogen 2.902 N/A LYS 131.A NZ HIS 172.A NE2 no hydrogen 2.942 N/A GLY 132.A N GLY 128.A O no hydrogen 2.932 N/A LEU 133.A N VAL 129.A O no hydrogen 3.274 N/A GLN 134.A N VAL 130.A O no hydrogen 2.826 N/A GLU 135.A N LYS 131.A O no hydrogen 3.066 N/A VAL 136.A N LEU 133.A O no hydrogen 3.099 N/A GLY 137.A N LEU 133.A O no hydrogen 2.807 N/A LEU 138.A N GLN 134.A O no hydrogen 2.869 N/A LEU 140.A N GLY 137.A O no hydrogen 3.025 N/A HIS 141.A N LEU 138.A O no hydrogen 2.981 N/A ARG 142.A N GLY 137.A O no hydrogen 2.972 N/A ARG 142.A NE ALA 113.A O no hydrogen 3.023 N/A ARG 142.A NH2 ALA 113.A O no hydrogen 2.986 N/A GLY 143.A N ASP 117.A O no hydrogen 3.069 N/A CYS 144.A N PHE 175.A O no hydrogen 2.886 N/A CYS 144.A SG VAL 119.A O no hydrogen 3.832 N/A CYS 144.A SG LEU 145.A O no hydrogen 3.788 N/A LEU 145.A N VAL 119.A O no hydrogen 2.849 N/A LEU 146.A N GLY 178.A O no hydrogen 3.003 N/A ILE 147.A N ALA 121.A O no hydrogen 2.999 N/A ALA 148.A N ILE 180.A O.A no hydrogen 2.943 N/A ALA 148.A N ILE 180.A O.B no hydrogen 2.877 N/A SER 155.A N SER 152.A O no hydrogen 3.079 N/A ALA 157.A N SER 155.A OG no hydrogen 3.148 N/A TYR 161.A N THR 158.A O no hydrogen 2.888 N/A THR 162.A OG1 ALA 148.A O no hydrogen 2.655 N/A ARG 163.A N GLY 159.A O no hydrogen 3.183 N/A ARG 163.A NH2 ASP 160.A OD1 no hydrogen 2.943 N/A ALA 164.A N ASP 160.A O no hydrogen 2.849 N/A ALA 165.A N TYR 161.A O no hydrogen 2.961 N/A VAL 166.A N THR 162.A O no hydrogen 3.107 N/A ARG 167.A N ARG 163.A O no hydrogen 2.981 N/A MET 168.A N.A ALA 164.A O no hydrogen 2.983 N/A MET 168.A N.B ALA 164.A O no hydrogen 2.988 N/A ALA 169.A N ALA 165.A O no hydrogen 3.021 N/A GLU 170.A N VAL 166.A O no hydrogen 3.008 N/A GLU 171.A N ARG 167.A O no hydrogen 2.996 N/A HIS 172.A N ALA 169.A O no hydrogen 3.168 N/A HIS 172.A ND1 MET 168.A O.A no hydrogen 2.891 N/A HIS 172.A ND1 MET 168.A O.B no hydrogen 2.846 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.811 N/A PHE 175.A N HIS 172.A O no hydrogen 2.894 N/A VAL 176.A N HIS 172.A O no hydrogen 2.797 N/A VAL 177.A N CYS 144.A O no hydrogen 2.852 N/A PHE 179.A N LEU 192.A O no hydrogen 2.869 N/A ILE 180.A N.A LEU 146.A O no hydrogen 2.934 N/A ILE 180.A N.B LEU 146.A O no hydrogen 2.911 N/A SER 181.A N LEU 194.A O no hydrogen 2.942 N/A SER 181.A OG SER 183.A O.A no hydrogen 2.624 N/A SER 181.A OG SER 183.A O.B no hydrogen 2.588 N/A GLY 182.A N GLU 149.A OE1 no hydrogen 3.038 N/A SER 183.A N.A GLU 149.A OE1 no hydrogen 3.307 N/A SER 183.A N.B GLU 149.A OE1 no hydrogen 3.278 N/A ARG 184.A NE GLY 214.A O no hydrogen 2.929 N/A ARG 184.A NH1 GLU 3.A OE2 no hydrogen 3.482 N/A ARG 184.A NH2 GLU 3.A OE1 no hydrogen 3.543 N/A ARG 184.A NH2 GLU 3.A OE2 no hydrogen 3.523 N/A ARG 184.A NH2 GLY 214.A O no hydrogen 3.361 N/A LYS 188.A N SER 186.A OG no hydrogen 3.081 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.816 N/A PHE 191.A N LYS 188.A O no hydrogen 3.291 N/A LEU 192.A N VAL 177.A O no hydrogen 2.892 N/A HIS 193.A N ASP 216.A OD2 no hydrogen 2.942 N/A LEU 194.A N PHE 179.A O no hydrogen 2.920 N/A THR 195.A N ILE 217.A O no hydrogen 2.901 N/A THR 195.A OG1 SER 181.A O no hydrogen 2.617 N/A THR 195.A OG1 SER 215.A OG no hydrogen 2.707 N/A GLY 197.A N ILE 219.A O no hydrogen 2.840 N/A VAL 198.A N ASN 204.A O no hydrogen 2.887 N/A LEU 200.A N GLY 221.A O no hydrogen 3.003 N/A GLN 207.A N GLN 207.A OE1 no hydrogen 2.867 N/A GLU 208.A N SER 205.A OG no hydrogen 3.271 N/A VAL 209.A N SER 205.A O no hydrogen 2.942 N/A ILE 210.A N PRO 206.A O no hydrogen 2.843 N/A LYS 212.A N GLN 207.A O no hydrogen 3.094 N/A LYS 212.A N GLU 208.A O no hydrogen 3.163 N/A ARG 213.A N GLU 208.A O no hydrogen 2.787 N/A SER 215.A N VAL 209.A O no hydrogen 3.065 N/A SER 215.A OG THR 195.A OG1 no hydrogen 2.707 N/A SER 215.A OG VAL 209.A O no hydrogen 3.506 N/A ASP 216.A N HIS 193.A O no hydrogen 2.842 N/A ILE 217.A N HIS 193.A O no hydrogen 2.947 N/A ILE 218.A N ASN 32.A O no hydrogen 2.907 N/A ILE 219.A N THR 195.A O no hydrogen 2.828 N/A VAL 220.A N CYS 34.A O no hydrogen 2.834 N/A ARG 222.A NH2 ASP 38.A O no hydrogen 3.170 N/A ASP 229.A N SER 226.A OG no hydrogen 3.027 N/A ARG 230.A N SER 226.A O no hydrogen 2.756 N/A ARG 230.A NE ARG 222.A O no hydrogen 2.822 N/A ARG 230.A NH2 GLY 223.A O no hydrogen 2.943 N/A LEU 231.A N ALA 227.A O no hydrogen 2.924 N/A GLU 232.A N ALA 228.A O no hydrogen 3.211 N/A ALA 233.A N ASP 229.A O no hydrogen 2.860 N/A ALA 234.A N ARG 230.A O no hydrogen 2.894 N/A GLU 235.A N LEU 231.A O no hydrogen 3.307 N/A MET 236.A N GLU 232.A O no hydrogen 3.064 N/A TYR 237.A N ALA 233.A O no hydrogen 2.794 N/A TYR 237.A OH VAL 198.A O no hydrogen 2.760 N/A ARG 238.A N ALA 234.A O no hydrogen 2.823 N/A ARG 238.A NE GLU 235.A OE1 no hydrogen 3.419 N/A ARG 238.A NE GLU 235.A OE2 no hydrogen 3.214 N/A ARG 238.A NH1 GLU 30.A O no hydrogen 2.807 N/A ARG 238.A NH2 GLU 235.A OE1 no hydrogen 3.010 N/A LYS 239.A N GLU 235.A O no hydrogen 3.042 N/A ALA 240.A N MET 236.A O no hydrogen 3.020 N/A ALA 241.A N TYR 237.A O no hydrogen 2.915 N/A TRP 242.A N ARG 238.A O no hydrogen 2.851 N/A GLU 243.A N LYS 239.A O no hydrogen 2.899 N/A ALA 244.A N ALA 240.A O no hydrogen 3.015 N/A TYR 245.A N ALA 241.A O no hydrogen 2.929 N/A LEU 246.A N TRP 242.A O no hydrogen 2.816 N/A SER 247.A N GLU 243.A O no hydrogen 2.905 N/A SER 247.A OG ALA 244.A O no hydrogen 2.601 N/A ARG 248.A N TYR 245.A O no hydrogen 3.143 N/A ARG 248.A NH1 ILE 210.A O no hydrogen 2.968 N/A ARG 248.A NH1 SER 215.A O no hydrogen 2.718 N/A ARG 248.A NH2 ASP 216.A OD1 no hydrogen 3.042 N/A LEU 249.A N LEU 246.A O no hydrogen 3.042 N/A