Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7jie_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG TYR 236.A OH no hydrogen 2.696 N/A THR 9.A N GLU 12.A OE1 no hydrogen 2.917 N/A THR 9.A OG1 GLU 12.A OE1 no hydrogen 2.884 N/A GLU 12.A N THR 9.A O no hydrogen 3.160 N/A MET 13.A N VAL 10.A O no hydrogen 2.973 N/A THR 14.A N GLU 232.A OE1 no hydrogen 2.823 N/A THR 14.A OG1 GLU 232.A OE2 no hydrogen 2.810 N/A ASN 15.A N ILE 20.A O no hydrogen 2.811 N/A ASN 15.A ND2 SER 212.A OG no hydrogen 2.743 N/A ASN 15.A ND2 LEU 225.A O no hydrogen 3.253 N/A SER 16.A OG LEU 229.A O no hydrogen 2.685 N/A ARG 17.A N ASN 15.A OD1 no hydrogen 2.953 N/A ARG 17.A NE ASP 101.A OD1 no hydrogen 2.975 N/A ARG 17.A NE ASP 101.A OD2 no hydrogen 3.164 N/A ARG 17.A NH1 ASP 226.A O no hydrogen 2.739 N/A ARG 17.A NH2 ASP 101.A O no hydrogen 3.530 N/A ARG 17.A NH2 ASP 101.A OD1 no hydrogen 3.016 N/A ARG 17.A NH2 GLN 178.A O no hydrogen 2.646 N/A ILE 20.A N PHE 18.A O no hydrogen 2.667 N/A LEU 22.A N MET 13.A O no hydrogen 2.797 N/A GLU 23.A N ARG 211.A O no hydrogen 2.969 N/A LYS 24.A N ARG 211.A O no hydrogen 3.250 N/A LYS 24.A NZ GLU 23.A OE2 no hydrogen 3.548 N/A PHE 26.A N PHE 209.A O no hydrogen 2.947 N/A THR 27.A N HIS 281.A O no hydrogen 3.115 N/A THR 27.A OG1 LEU 207.A O no hydrogen 2.723 N/A GLN 36.A NE2 ALA 195.A O no hydrogen 2.845 N/A GLN 38.A N ASP 101.A OD2 no hydrogen 2.892 N/A GLN 38.A NE2 GLN 36.A O no hydrogen 3.149 N/A GLN 38.A NE2 ALA 195.A O no hydrogen 3.184 N/A ASN 39.A N ASP 101.A OD2 no hydrogen 2.959 N/A ASN 39.A ND2 THR 99.A O no hydrogen 2.775 N/A ARG 41.A N THR 52.A OG1 no hydrogen 2.694 N/A ARG 41.A NH1 PRO 37.A O no hydrogen 2.881 N/A ARG 41.A NH1 PRO 196.A O no hydrogen 2.953 N/A ARG 41.A NH2 PRO 196.A O no hydrogen 2.677 N/A CYS 42.A SG THR 43.A O no hydrogen 3.452 N/A CYS 42.A SG VAL 47.A O no hydrogen 3.750 N/A CYS 42.A SG VAL 234.A O no hydrogen 3.957 N/A THR 43.A N VAL 47.A O no hydrogen 2.980 N/A THR 43.A OG1 ASP 45.A OD1 no hydrogen 2.363 N/A THR 44.A N LYS 269.A O no hydrogen 3.018 N/A GLY 46.A N THR 43.A O no hydrogen 2.805 N/A VAL 47.A N THR 43.A OG1 no hydrogen 2.950 N/A LEU 49.A N ARG 41.A O no hydrogen 2.927 N/A THR 51.A N GLN 38.A O no hydrogen 2.982 N/A THR 51.A OG1 ASN 39.A OD1 no hydrogen 3.023 N/A THR 52.A N LEU 49.A O no hydrogen 2.959 N/A THR 52.A OG1 GLN 38.A O no hydrogen 2.961 N/A THR 52.A OG1 ARG 41.A O no hydrogen 3.278 N/A THR 52.A OG1 LEU 49.A O no hydrogen 3.146 N/A GLN 53.A NE2 SER 55.A O no hydrogen 2.610 N/A SER 55.A N GLN 53.A OE1 no hydrogen 3.062 N/A ASN 58.A N SER 55.A O no hydrogen 3.420 N/A ASN 58.A ND2 GLN 53.A OE1 no hydrogen 3.094 N/A ILE 59.A N PRO 56.A O no hydrogen 3.287 N/A CYS 60.A N GLY 98.A O no hydrogen 2.763 N/A CYS 60.A SG ARG 17.A O no hydrogen 3.998 N/A THR 61.A N ASN 58.A O no hydrogen 3.513 N/A THR 61.A OG1 ASN 58.A O no hydrogen 2.945 N/A PHE 62.A N PHE 159.A O no hydrogen 3.383 N/A GLY 64.A N THR 157.A O no hydrogen 2.963 N/A ASP 65.A N ASN 78.A O no hydrogen 3.346 N/A THR 67.A N THR 76.A O no hydrogen 2.713 N/A HIS 68.A NE2 SER 72.A O no hydrogen 2.532 N/A ILE 69.A N ASN 74.A O no hydrogen 2.961 N/A SER 72.A OG ILE 69.A O no hydrogen 2.721 N/A ASN 74.A N SER 72.A OG no hydrogen 3.256 N/A TYR 75.A N PHE 143.A O no hydrogen 2.819 N/A THR 76.A N THR 67.A O no hydrogen 2.742 N/A MET 77.A N VAL 141.A O no hydrogen 2.694 N/A ASN 78.A N ASP 65.A O no hydrogen 2.740 N/A ASN 78.A ND2 ASP 65.A O no hydrogen 3.567 N/A ASN 78.A ND2 ASP 65.A OD2 no hydrogen 2.753 N/A ASN 78.A ND2 THR 67.A OG1 no hydrogen 3.341 N/A LEU 79.A N GLY 139.A O no hydrogen 2.868 N/A ALA 80.A N ARG 63.A O no hydrogen 2.796 N/A SER 81.A N ASN 85.A O no hydrogen 2.766 N/A SER 81.A OG ASN 85.A O no hydrogen 3.370 N/A ASN 83.A N SER 81.A OG no hydrogen 3.229 N/A TRP 84.A N SER 81.A O no hydrogen 2.801 N/A ASN 85.A N SER 81.A OG no hydrogen 3.080 N/A TYR 87.A OH LYS 137.A O no hydrogen 2.560 N/A THR 90.A N ASP 88.A OD1 no hydrogen 3.053 N/A THR 90.A OG1 ASP 88.A OD1 no hydrogen 2.672 N/A THR 90.A OG1 ASP 88.A OD2 no hydrogen 3.235 N/A ILE 93.A N GLU 91.A O no hydrogen 2.768 N/A GLY 98.A N THR 51.A O no hydrogen 2.760 N/A THR 99.A N PRO 96.A O no hydrogen 3.019 N/A THR 99.A OG1 PRO 96.A O no hydrogen 2.607 N/A VAL 103.A N VAL 180.A O no hydrogen 2.944 N/A GLY 104.A N THR 129.A OG1 no hydrogen 2.882 N/A LYS 105.A NZ GLU 175.A OE2 no hydrogen 2.896 N/A ILE 106.A N VAL 127.A O no hydrogen 2.948 N/A GLN 107.A N GLY 163.A O no hydrogen 2.705 N/A GLY 108.A N ALA 125.A O no hydrogen 2.807 N/A VAL 109.A N THR 160.A O no hydrogen 2.966 N/A LEU 110.A N HIS 123.A O no hydrogen 2.828 N/A THR 111.A N LYS 158.A O no hydrogen 2.753 N/A THR 111.A OG1 LYS 158.A O no hydrogen 3.422 N/A GLN 112.A N ARG 121.A O no hydrogen 2.947 N/A GLN 112.A NE2 GLU 152.A O no hydrogen 2.946 N/A GLN 112.A NE2 THR 157.A OG1 no hydrogen 2.863 N/A THR 113.A N ASN 156.A O no hydrogen 3.254 N/A THR 114.A N SER 119.A O no hydrogen 2.739 N/A THR 114.A OG1 SER 119.A OG no hydrogen 3.320 N/A THR 114.A OG1 GLU 152.A OE1 no hydrogen 2.602 N/A THR 114.A OG1 GLU 152.A OE2 no hydrogen 3.337 N/A ARG 115.A N GLN 155.A OE1 no hydrogen 2.724 N/A ARG 115.A NH1 ASN 154.A O no hydrogen 3.276 N/A ARG 115.A NH2 ASN 154.A O no hydrogen 3.134 N/A ARG 115.A NH2 ASN 156.A OD1 no hydrogen 3.469 N/A GLY 118.A N THR 114.A O no hydrogen 2.865 N/A SER 119.A N ASP 117.A OD1 no hydrogen 2.977 N/A SER 119.A OG ASP 117.A OD1 no hydrogen 2.707 N/A SER 119.A OG ASP 117.A OD2 no hydrogen 3.333 N/A ARG 121.A N GLN 112.A O no hydrogen 3.102 N/A ARG 121.A NH1 GLN 112.A OE1 no hydrogen 3.130 N/A ARG 121.A NH1 THR 114.A OG1 no hydrogen 2.915 N/A ARG 121.A NH2 THR 114.A OG1 no hydrogen 2.946 N/A ARG 121.A NH2 SER 119.A OG no hydrogen 3.006 N/A HIS 123.A N LEU 110.A O no hydrogen 2.948 N/A HIS 123.A NE2 ASP 150.A OD2 no hydrogen 2.845 N/A ALA 125.A N GLY 108.A O no hydrogen 3.028 N/A THR 126.A N GLU 144.A O no hydrogen 2.843 N/A VAL 127.A N ILE 106.A O no hydrogen 2.954 N/A TYR 128.A OH GLU 144.A OE1 no hydrogen 2.554 N/A THR 129.A N GLY 104.A O no hydrogen 2.994 N/A THR 129.A OG1 PHE 102.A O no hydrogen 2.640 N/A THR 129.A OG1 GLY 104.A O no hydrogen 3.174 N/A SER 131.A N TYR 128.A O no hydrogen 3.160 N/A SER 131.A OG ASP 133.A OD2 no hydrogen 3.021 N/A ASP 133.A N SER 131.A OG no hydrogen 2.786 N/A PHE 134.A N SER 131.A O no hydrogen 3.112 N/A ALA 135.A N ARG 140.A O no hydrogen 3.099 N/A LYS 137.A N TYR 184.A O no hydrogen 2.893 N/A LYS 137.A NZ PRO 89.A O no hydrogen 3.122 N/A LYS 137.A NZ ILE 93.A O no hydrogen 2.719 N/A LEU 138.A N ALA 135.A O no hydrogen 2.874 N/A GLY 139.A N PRO 136.A O no hydrogen 2.935 N/A ARG 140.A N ALA 135.A O no hydrogen 3.239 N/A VAL 141.A N MET 77.A O no hydrogen 3.049 N/A PHE 143.A N TYR 75.A O no hydrogen 2.834 N/A GLU 144.A N THR 126.A O no hydrogen 2.878 N/A THR 145.A N ARG 73.A O no hydrogen 2.916 N/A THR 145.A OG1 ARG 73.A O no hydrogen 2.660 N/A THR 147.A N THR 145.A OG1 no hydrogen 3.184 N/A ARG 149.A N THR 147.A OG1 no hydrogen 2.972 N/A ASP 150.A N THR 147.A OG1 no hydrogen 3.065 N/A GLU 152.A N GLN 112.A OE1 no hydrogen 2.957 N/A THR 157.A N GLY 64.A O no hydrogen 2.664 N/A THR 157.A OG1 GLN 155.A O no hydrogen 2.866 N/A LYS 158.A N THR 111.A O no hydrogen 2.746 N/A PHE 159.A N PHE 62.A O no hydrogen 2.856 N/A THR 160.A N VAL 109.A O no hydrogen 2.888 N/A VAL 162.A N GLN 107.A O no hydrogen 2.961 N/A GLY 163.A N GLN 107.A O no hydrogen 3.054 N/A VAL 164.A N PRO 215.A O no hydrogen 2.906 N/A ILE 165.A N LYS 105.A O no hydrogen 3.152 N/A GLN 166.A N SER 218.A O no hydrogen 3.000 N/A GLN 166.A NE2 THR 170.A O no hydrogen 3.402 N/A GLN 166.A NE2 THR 171.A O no hydrogen 3.158 N/A ASP 167.A N GLU 175.A OE2 no hydrogen 3.432 N/A GLY 169.A N ASP 167.A OD1 no hydrogen 2.966 N/A THR 170.A N ASP 167.A O no hydrogen 3.084 N/A THR 170.A OG1 ASP 167.A O no hydrogen 2.922 N/A ARG 173.A N TYR 220.A O no hydrogen 2.770 N/A ASN 174.A N THR 171.A O no hydrogen 3.179 N/A ASN 174.A ND2 THR 170.A OG1 no hydrogen 2.848 N/A GLN 177.A N VAL 103.A O no hydrogen 2.920 N/A GLN 178.A NE2 ASP 226.A OD2 no hydrogen 2.876 N/A VAL 180.A N GLN 177.A O no hydrogen 3.150 N/A TYR 184.A N ASN 191.A OD1 no hydrogen 2.955 N/A GLY 186.A N SER 183.A O no hydrogen 3.135 N/A ARG 187.A N SER 183.A OG no hydrogen 2.687 N/A ASN 188.A N SER 185.A O no hydrogen 3.150 N/A ASN 188.A ND2 SER 185.A O no hydrogen 2.736 N/A ASN 191.A ND2 PRO 182.A O no hydrogen 2.825 N/A ALA 195.A N GLN 38.A OE1 no hydrogen 2.711 N/A VAL 198.A N VAL 35.A O no hydrogen 2.793 N/A GLU 205.A N PHE 202.A O no hydrogen 3.010 N/A GLN 206.A N VAL 275.A O no hydrogen 2.713 N/A GLN 206.A NE2 THR 27.A OG1 no hydrogen 3.173 N/A GLN 206.A NE2 GLY 279.A O no hydrogen 2.979 N/A LEU 208.A N VAL 273.A O no hydrogen 2.788 N/A PHE 209.A N PHE 26.A O no hydrogen 2.665 N/A PHE 210.A N CYS 227.A O no hydrogen 2.971 N/A ARG 211.A N LYS 24.A O no hydrogen 2.954 N/A ARG 211.A NE ASP 226.A OD1 no hydrogen 2.684 N/A ARG 211.A NH2 ASP 226.A OD1 no hydrogen 3.368 N/A ARG 211.A NH2 ASP 226.A OD2 no hydrogen 2.888 N/A SER 212.A N LEU 225.A O no hydrogen 2.843 N/A SER 212.A OG PRO 21.A O no hydrogen 2.829 N/A THR 213.A N GLU 23.A OE1 no hydrogen 2.691 N/A THR 213.A OG1 GLU 23.A OE1 no hydrogen 3.322 N/A THR 213.A OG1 GLU 23.A OE2 no hydrogen 2.469 N/A MET 214.A N MET 223.A O no hydrogen 2.691 N/A CYS 217.A N VAL 164.A O no hydrogen 2.955 N/A TYR 220.A N GLN 166.A OE1 no hydrogen 2.693 N/A ASN 222.A N GLU 175.A O no hydrogen 2.873 N/A ASP 224.A N ASN 222.A OD1 no hydrogen 3.174 N/A LEU 225.A N SER 212.A O no hydrogen 2.992 N/A ASP 226.A N GLN 178.A OE1 no hydrogen 2.805 N/A CYS 227.A N PHE 210.A O no hydrogen 2.915 N/A CYS 227.A SG PHE 210.A O no hydrogen 3.439 N/A CYS 227.A SG LEU 229.A O no hydrogen 3.261 N/A GLN 231.A N THR 14.A O no hydrogen 2.979 N/A GLN 231.A NE2 GLN 53.A O no hydrogen 2.792 N/A GLN 231.A NE2 LEU 54.A O no hydrogen 2.928 N/A GLU 232.A N GLU 232.A OE1 no hydrogen 2.627 N/A VAL 234.A N PRO 230.A O no hydrogen 3.223 N/A GLN 235.A N GLN 231.A O no hydrogen 2.819 N/A GLN 235.A NE2 LEU 54.A O no hydrogen 2.976 N/A TYR 236.A N GLU 232.A O no hydrogen 2.791 N/A TYR 236.A OH SER 4.A OG no hydrogen 2.696 N/A PHE 237.A N TRP 233.A O no hydrogen 2.788 N/A TYR 238.A N VAL 234.A O no hydrogen 3.026 N/A GLN 239.A N GLN 235.A O no hydrogen 3.097 N/A GLU 240.A N TYR 236.A O no hydrogen 2.768 N/A ALA 241.A N PHE 237.A O no hydrogen 2.817 N/A SER 246.A OG VAL 248.A O no hydrogen 2.936 N/A SER 246.A OG VAL 297.A O no hydrogen 2.762 N/A VAL 248.A N SER 246.A OG no hydrogen 2.924 N/A ALA 249.A N LEU 267.A O no hydrogen 2.931 N/A LEU 250.A N SER 295.A O no hydrogen 2.775 N/A LEU 251.A N CYS 265.A O no hydrogen 2.822 N/A ARG 252.A N ARG 292.A O no hydrogen 2.869 N/A ARG 252.A NE GLU 264.A OE2 no hydrogen 2.807 N/A ARG 252.A NH1 ASP 294.A OD2 no hydrogen 2.526 N/A ARG 252.A NH2 GLU 264.A OE2 no hydrogen 3.098 N/A PHE 253.A N PHE 263.A O no hydrogen 2.861 N/A VAL 254.A N TYR 290.A O no hydrogen 2.956 N/A ASN 255.A N ARG 260.A O no hydrogen 3.024 N/A ASP 257.A N ASN 255.A OD1 no hydrogen 2.837 N/A THR 258.A N ASN 255.A OD1 no hydrogen 3.284 N/A GLY 259.A N ASN 255.A O no hydrogen 2.731 N/A ARG 260.A N THR 258.A OG1 no hydrogen 3.295 N/A ARG 260.A NE VAL 261.A O no hydrogen 3.174 N/A LEU 262.A N PHE 253.A O no hydrogen 2.952 N/A CYS 265.A N LEU 251.A O no hydrogen 2.810 N/A LYS 266.A N THR 274.A O no hydrogen 2.970 N/A LYS 266.A NZ GLU 205.A OE2 no hydrogen 2.565 N/A LYS 266.A NZ TYR 301.A O no hydrogen 2.751 N/A LEU 267.A N ALA 249.A O no hydrogen 2.777 N/A HIS 268.A N TYR 272.A O no hydrogen 2.696 N/A HIS 268.A NE2 THR 274.A OG1 no hydrogen 2.760 N/A LYS 269.A N ASP 247.A O no hydrogen 2.730 N/A GLY 271.A N HIS 268.A O no hydrogen 2.844 N/A THR 274.A N LYS 266.A O no hydrogen 2.989 N/A THR 274.A OG1 GLU 205.A OE1 no hydrogen 2.817 N/A THR 274.A OG1 HIS 268.A NE2 no hydrogen 2.760 N/A VAL 275.A N GLN 206.A O no hydrogen 2.756 N/A HIS 277.A N GLY 204.A O no hydrogen 3.008 N/A HIS 277.A ND1 MET 306.A O no hydrogen 3.114 N/A GLY 279.A N GLN 206.A OE1 no hydrogen 2.747 N/A HIS 281.A N THR 27.A O no hydrogen 2.964 N/A LEU 283.A N LEU 25.A O no hydrogen 2.877 N/A ASN 288.A ND2 ASN 255.A OD1 no hydrogen 2.929 N/A ASN 288.A ND2 ASP 257.A OD2 no hydrogen 2.671 N/A GLY 289.A N PRO 286.A O no hydrogen 2.881 N/A TYR 290.A N VAL 254.A O no hydrogen 3.063 N/A ARG 292.A N ARG 252.A O no hydrogen 2.906 N/A ARG 292.A NE ASP 294.A OD1 no hydrogen 2.818 N/A ARG 292.A NH2 ASP 294.A OD1 no hydrogen 3.409 N/A ARG 292.A NH2 ASP 294.A OD2 no hydrogen 3.081 N/A ASP 294.A N LEU 250.A O no hydrogen 3.000 N/A VAL 297.A N VAL 248.A O no hydrogen 2.958 N/A PHE 300.A N ASN 298.A OD1 no hydrogen 2.805 N/A ALA 304.A N GLU 264.A OE1 no hydrogen 2.640 N/A MET 306.A N ALA 276.A O no hydrogen 2.949 N/A