Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ec9_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A NE1 GLU 139.A OE1 no hydrogen 3.176 N/A PHE 6.A N LEU 181.A O no hydrogen 2.755 N/A THR 7.A N GLN 10.A OE1 no hydrogen 2.835 N/A THR 7.A OG1 GLN 10.A OE1 no hydrogen 3.158 N/A GLN 10.A N THR 7.A OG1 no hydrogen 2.922 N/A LEU 11.A N THR 7.A O no hydrogen 2.920 N/A GLU 12.A N ARG 8.A O no hydrogen 2.791 N/A ASN 13.A N GLU 9.A O no hydrogen 3.188 N/A ASN 13.A ND2 GLU 9.A O no hydrogen 3.113 N/A SER 14.A OG GLU 26.A OE1 no hydrogen 2.570 N/A SER 14.A OG GLU 26.A OE2 no hydrogen 2.883 N/A ARG 17.A N SER 14.A OG no hydrogen 3.129 N/A ARG 17.A NE GLU 12.A OE2 no hydrogen 3.337 N/A ARG 17.A NH2 VAL 21.A O no hydrogen 2.736 N/A ARG 17.A NH2 GLU 26.A OE1 no hydrogen 2.772 N/A ARG 18.A N SER 14.A O no hydrogen 3.123 N/A PHE 19.A N SER 16.A O no hydrogen 2.999 N/A GLY 20.A N ARG 17.A O no hydrogen 2.906 N/A VAL 21.A N SER 16.A O no hydrogen 3.218 N/A GLU 26.A N ASP 22.A O no hydrogen 3.019 N/A LEU 27.A N PRO 23.A O no hydrogen 2.947 N/A SER 28.A N ASP 24.A O no hydrogen 2.919 N/A TYR 29.A N LYS 25.A O no hydrogen 2.850 N/A ARG 30.A N GLU 26.A O no hydrogen 2.938 N/A ARG 30.A NH1 HIS 59.A ND1 no hydrogen 3.196 N/A ARG 30.A NH1 HIS 59.A O no hydrogen 3.020 N/A ARG 30.A NH2 GLU 26.A OE2 no hydrogen 3.242 N/A GLN 31.A N LEU 27.A O no hydrogen 2.945 N/A GLN 31.A NE2 LEU 176.A O no hydrogen 3.391 N/A GLN 32.A N SER 28.A O no hydrogen 2.933 N/A GLN 32.A NE2 SER 28.A OG no hydrogen 3.191 N/A ALA 33.A N TYR 29.A O no hydrogen 2.986 N/A ALA 34.A N ARG 30.A O no hydrogen 2.955 N/A ASN 35.A N GLN 31.A O no hydrogen 2.893 N/A LEU 36.A N GLN 32.A O no hydrogen 2.929 N/A LEU 37.A N ALA 33.A O no hydrogen 2.868 N/A GLN 38.A N ALA 34.A O no hydrogen 2.846 N/A GLN 38.A NE2 GLN 42.A OE1 no hydrogen 3.102 N/A GLN 38.A NE2 GLN 48.A OE1 no hydrogen 2.902 N/A ASP 39.A N ASN 35.A O no hydrogen 2.938 N/A MET 40.A N LEU 36.A O no hydrogen 2.923 N/A GLY 41.A N LEU 37.A O no hydrogen 2.769 N/A GLN 42.A N GLN 38.A O no hydrogen 2.850 N/A ARG 43.A N ASP 39.A O no hydrogen 3.016 N/A ARG 43.A NE ASP 39.A OD1 no hydrogen 2.953 N/A ARG 43.A NH2 ASP 39.A OD1 no hydrogen 3.304 N/A ARG 43.A NH2 ASP 39.A OD2 no hydrogen 2.997 N/A LEU 44.A N MET 40.A O no hydrogen 2.866 N/A ASN 45.A N GLN 42.A O no hydrogen 3.117 N/A VAL 46.A N GLY 41.A O no hydrogen 3.122 N/A SER 47.A N GLN 89.A OE1 no hydrogen 2.840 N/A SER 47.A OG THR 50.A OG1 no hydrogen 3.299 N/A SER 47.A OG GLN 89.A OE1 no hydrogen 3.195 N/A GLN 48.A NE2 GLN 38.A OE1 no hydrogen 3.021 N/A GLN 48.A NE2 GLN 48.A O no hydrogen 3.297 N/A GLN 48.A NE2 ASN 52.A OD1 no hydrogen 2.895 N/A THR 50.A N SER 47.A OG no hydrogen 3.195 N/A THR 50.A OG1 SER 47.A OG no hydrogen 3.299 N/A THR 50.A OG1 GLN 89.A OE1 no hydrogen 2.672 N/A ILE 51.A N SER 47.A O no hydrogen 3.145 N/A ASN 52.A N GLN 48.A O no hydrogen 2.806 N/A THR 53.A N LEU 49.A O no hydrogen 2.803 N/A THR 53.A OG1 LEU 49.A O no hydrogen 3.246 N/A THR 53.A OG1 GLU 87.A OE2 no hydrogen 2.863 N/A THR 53.A OG1 HIS 144.A NE2 no hydrogen 3.117 N/A ALA 54.A N THR 50.A O no hydrogen 2.905 N/A ILE 55.A N ILE 51.A O no hydrogen 2.818 N/A VAL 56.A N ASN 52.A O no hydrogen 2.923 N/A TYR 57.A N THR 53.A O no hydrogen 2.914 N/A TYR 57.A OH LEU 140.A O no hydrogen 2.752 N/A MET 58.A N ALA 54.A O no hydrogen 2.905 N/A HIS 59.A N ILE 55.A O no hydrogen 2.857 N/A HIS 59.A NE2 LEU 174.A O no hydrogen 3.120 N/A ARG 60.A N VAL 56.A O no hydrogen 2.933 N/A PHE 61.A N TYR 57.A O no hydrogen 2.834 N/A TYR 62.A N MET 58.A O no hydrogen 2.998 N/A TYR 62.A OH PHE 70.A O no hydrogen 2.614 N/A MET 63.A N ARG 60.A O no hydrogen 2.935 N/A ILE 64.A N PHE 61.A O no hydrogen 3.337 N/A GLN 65.A N PHE 61.A O no hydrogen 3.021 N/A GLN 65.A NE2 THR 135.A OG1 no hydrogen 3.169 N/A SER 66.A OG THR 68.A OG1 no hydrogen 2.890 N/A PHE 67.A N SER 16.A OG no hydrogen 2.976 N/A THR 68.A N SER 66.A OG no hydrogen 3.154 N/A THR 68.A OG1 SER 66.A OG no hydrogen 2.890 N/A ARG 69.A N SER 66.A O no hydrogen 2.955 N/A PHE 70.A N SER 66.A O no hydrogen 2.844 N/A SER 74.A N PRO 71.A O no hydrogen 2.939 N/A VAL 75.A N PRO 71.A O no hydrogen 3.111 N/A ALA 76.A N GLY 72.A O no hydrogen 2.891 N/A ALA 79.A N VAL 75.A O no hydrogen 2.870 N/A LEU 80.A N ALA 76.A O no hydrogen 2.862 N/A PHE 81.A N PRO 77.A O no hydrogen 2.871 N/A LEU 82.A N ALA 78.A O no hydrogen 2.903 N/A ALA 83.A N ALA 79.A O no hydrogen 2.852 N/A ALA 84.A N LEU 80.A O no hydrogen 2.764 N/A LYS 85.A N PHE 81.A O no hydrogen 3.022 N/A LYS 85.A NZ GLU 129.A OE2 no hydrogen 3.017 N/A VAL 86.A N LEU 82.A O no hydrogen 2.859 N/A GLU 87.A N ALA 83.A O no hydrogen 2.865 N/A GLY 88.A N LYS 85.A O no hydrogen 3.252 N/A GLN 89.A N ALA 84.A O no hydrogen 2.845 N/A LYS 91.A NZ LEU 44.A O no hydrogen 2.672 N/A VAL 96.A N LYS 92.A O no hydrogen 3.004 N/A ILE 97.A N LEU 93.A O no hydrogen 2.940 N/A LYS 98.A N GLU 94.A O no hydrogen 2.791 N/A VAL 99.A N HIS 95.A O no hydrogen 2.998 N/A ALA 100.A N VAL 96.A O no hydrogen 2.821 N/A HIS 101.A N ILE 97.A O no hydrogen 2.874 N/A THR 102.A N LYS 98.A O no hydrogen 2.974 N/A CYS 103.A N VAL 99.A O no hydrogen 2.931 N/A CYS 103.A SG ASP 39.A OD2 no hydrogen 3.321 N/A CYS 103.A SG VAL 99.A O no hydrogen 3.393 N/A LEU 104.A N ALA 100.A O no hydrogen 2.949 N/A HIS 105.A N HIS 101.A O no hydrogen 2.832 N/A GLU 108.A N HIS 105.A O no hydrogen 2.943 N/A ARG 114.A N ASP 112.A OD1 no hydrogen 3.322 N/A SER 115.A N ASP 112.A O no hydrogen 2.762 N/A SER 115.A OG ASP 112.A O no hydrogen 2.398 N/A TYR 118.A N SER 115.A OG no hydrogen 3.430 N/A LEU 119.A N SER 115.A O no hydrogen 3.131 N/A GLN 120.A N GLU 116.A O no hydrogen 2.934 N/A GLN 120.A NE2 ASP 124.A OD1 no hydrogen 2.887 N/A GLN 121.A N ALA 117.A O no hydrogen 2.938 N/A VAL 122.A N TYR 118.A O no hydrogen 2.986 N/A GLN 123.A N LEU 119.A O no hydrogen 3.043 N/A ASP 124.A N GLN 120.A O no hydrogen 2.829 N/A LEU 125.A N GLN 121.A O no hydrogen 2.954 N/A VAL 126.A N VAL 122.A O no hydrogen 3.103 N/A ILE 127.A N GLN 123.A O no hydrogen 2.953 N/A LEU 128.A N ASP 124.A O no hydrogen 2.883 N/A GLU 129.A N LEU 125.A O no hydrogen 2.902 N/A SER 130.A N VAL 126.A O no hydrogen 3.050 N/A ILE 131.A N ILE 127.A O no hydrogen 2.983 N/A ILE 132.A N LEU 128.A O no hydrogen 2.826 N/A LEU 133.A N GLU 129.A O no hydrogen 2.926 N/A GLN 134.A N SER 130.A O no hydrogen 2.949 N/A THR 135.A N ILE 131.A O no hydrogen 2.874 N/A THR 135.A OG1 ILE 131.A O no hydrogen 2.873 N/A LEU 136.A N ILE 132.A O no hydrogen 2.942 N/A GLY 137.A N GLN 134.A O no hydrogen 3.341 N/A PHE 138.A N LEU 133.A O no hydrogen 2.907 N/A GLU 139.A N LEU 136.A O no hydrogen 3.141 N/A HIS 144.A NE2 THR 53.A OG1 no hydrogen 3.117 N/A HIS 146.A NE2 THR 171.A OG1 no hydrogen 3.037 N/A THR 147.A N HIS 144.A O no hydrogen 3.353 N/A HIS 148.A N PRO 145.A O no hydrogen 2.810 N/A HIS 148.A NE2 ASP 143.A OD2 no hydrogen 3.017 N/A VAL 149.A N PRO 145.A O no hydrogen 3.040 N/A VAL 150.A N HIS 146.A O no hydrogen 3.154 N/A CYS 152.A N HIS 148.A O no hydrogen 3.036 N/A THR 153.A N VAL 149.A O no hydrogen 2.935 N/A THR 153.A OG1 VAL 150.A O no hydrogen 2.971 N/A LEU 155.A N LYS 151.A O no hydrogen 3.249 N/A VAL 156.A N THR 153.A O no hydrogen 2.770 N/A ARG 157.A N GLN 154.A O no hydrogen 2.820 N/A ALA 158.A N THR 153.A O no hydrogen 3.357 N/A ALA 163.A N SER 159.A O no hydrogen 3.238 N/A GLN 164.A N LYS 160.A O no hydrogen 2.821 N/A THR 165.A N ASP 161.A O no hydrogen 2.865 N/A THR 165.A OG1 ASP 161.A O no hydrogen 3.188 N/A SER 166.A N LEU 162.A O no hydrogen 2.807 N/A SER 166.A OG LEU 162.A O no hydrogen 3.132 N/A TYR 167.A N ALA 163.A O no hydrogen 3.013 N/A PHE 168.A N GLN 164.A O no hydrogen 3.004 N/A MET 169.A N THR 165.A O no hydrogen 2.846 N/A ALA 170.A N SER 166.A O no hydrogen 2.884 N/A THR 171.A N TYR 167.A O no hydrogen 2.881 N/A THR 171.A OG1 HIS 146.A NE2 no hydrogen 3.037 N/A THR 171.A OG1 TYR 167.A O no hydrogen 3.189 N/A ASN 172.A N PHE 168.A O no hydrogen 2.941 N/A ASN 172.A ND2 PHE 168.A O no hydrogen 2.918 N/A SER 173.A N MET 169.A O no hydrogen 2.727 N/A SER 173.A OG ALA 170.A O no hydrogen 2.984 N/A LEU 174.A N ALA 170.A O no hydrogen 2.964 N/A HIS 175.A N THR 171.A O no hydrogen 2.997 N/A HIS 175.A ND1 THR 171.A O no hydrogen 3.016 N/A LEU 176.A N ASN 172.A O no hydrogen 2.828 N/A THR 177.A N SER 173.A O no hydrogen 3.317 N/A THR 177.A OG1 SER 173.A O no hydrogen 2.804 N/A PHE 179.A N THR 177.A OG1 no hydrogen 3.063 N/A LEU 181.A N THR 178.A O no hydrogen 2.898 N/A GLN 182.A N PHE 179.A O no hydrogen 2.985 N/A GLN 182.A NE2 THR 178.A O no hydrogen 3.629 N/A GLN 182.A NE2 THR 178.A OG1 no hydrogen 3.076 N/A TYR 183.A N PHE 179.A O no hydrogen 2.752 N/A VAL 188.A N THR 184.A O no hydrogen 3.048 N/A ALA 189.A N PRO 185.A O no hydrogen 2.820 N/A CYS 190.A N PRO 186.A O no hydrogen 2.975 N/A CYS 190.A SG PRO 186.A O no hydrogen 3.544 N/A VAL 191.A N VAL 187.A O no hydrogen 2.900 N/A CYS 192.A N VAL 188.A O no hydrogen 2.882 N/A CYS 192.A SG VAL 188.A O no hydrogen 3.446 N/A ILE 193.A N ALA 189.A O no hydrogen 2.974 N/A HIS 194.A N CYS 190.A O no hydrogen 2.902 N/A HIS 194.A NE2 ASP 227.A OD1 no hydrogen 2.891 N/A LEU 195.A N VAL 191.A O no hydrogen 2.932 N/A ALA 196.A N CYS 192.A O no hydrogen 2.872 N/A CYS 197.A N ILE 193.A O no hydrogen 2.857 N/A CYS 197.A SG ILE 193.A O no hydrogen 3.484 N/A LYS 198.A N HIS 194.A O no hydrogen 2.990 N/A LYS 198.A NZ ASP 227.A OD1 no hydrogen 3.357 N/A TRP 199.A N LEU 195.A O no hydrogen 2.835 N/A TRP 199.A NE1 ILE 247.A O no hydrogen 2.936 N/A SER 200.A N ALA 196.A O no hydrogen 2.969 N/A SER 200.A N CYS 197.A O no hydrogen 3.186 N/A SER 200.A OG ALA 196.A O no hydrogen 2.790 N/A ASN 201.A N LYS 198.A O no hydrogen 3.267 N/A TRP 202.A N CYS 197.A O no hydrogen 2.900 N/A SER 207.A N LYS 211.A O no hydrogen 3.219 N/A SER 207.A OG TYR 216.A OH no hydrogen 3.246 N/A THR 208.A OG1 ASP 209.A OD1 no hydrogen 2.793 N/A GLU 215.A N HIS 212.A O no hydrogen 3.128 N/A TYR 216.A N TRP 213.A O no hydrogen 2.957 N/A TYR 216.A OH SER 207.A OG no hydrogen 3.246 N/A VAL 217.A N TRP 214.A O no hydrogen 2.976 N/A ASP 218.A N TRP 214.A O no hydrogen 3.158 N/A THR 220.A N ASP 218.A OD2 no hydrogen 2.848 N/A THR 220.A OG1 ASP 218.A OD2 no hydrogen 2.842 N/A VAL 221.A N ASP 218.A O no hydrogen 3.410 N/A LEU 225.A N THR 222.A OG1 no hydrogen 3.216 N/A LEU 226.A N THR 222.A O no hydrogen 2.935 N/A ASP 227.A N LEU 223.A O no hydrogen 2.827 N/A GLU 228.A N GLU 224.A O no hydrogen 2.917 N/A LEU 229.A N LEU 225.A O no hydrogen 2.792 N/A THR 230.A N LEU 226.A O no hydrogen 2.882 N/A THR 230.A OG1 LEU 226.A O no hydrogen 2.824 N/A THR 230.A OG1 ASP 227.A O no hydrogen 3.201 N/A HIS 231.A N ASP 227.A O no hydrogen 2.974 N/A GLU 232.A N GLU 228.A O no hydrogen 2.975 N/A LEU 233.A N LEU 229.A O no hydrogen 2.859 N/A LEU 234.A N THR 230.A O no hydrogen 2.832 N/A GLN 235.A N HIS 231.A O no hydrogen 2.816 N/A ILE 236.A N GLU 232.A O no hydrogen 3.046 N/A LEU 237.A N LEU 233.A O no hydrogen 2.900 N/A GLU 238.A N LEU 234.A O no hydrogen 2.935 N/A LYS 239.A N ILE 236.A O no hydrogen 2.977 N/A THR 240.A N LEU 237.A O no hydrogen 3.091 N/A THR 240.A OG1 ILE 236.A O no hydrogen 3.003 N/A ARG 243.A N THR 240.A O no hydrogen 3.116 N/A ARG 243.A NH1 ASN 172.A OD1 no hydrogen 3.112 N/A ARG 246.A N ARG 243.A O no hydrogen 3.324 N/A ILE 247.A N LEU 244.A O no hydrogen 2.812 N/A TRP 248.A N LYS 245.A O no hydrogen 3.147 N/A ARG 251.A N ASN 249.A OD1 no hydrogen 3.206 N/A ARG 251.A NH1 ASN 249.A OD1 no hydrogen 2.746 N/A