Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6f3i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N LEU 64.A O no hydrogen 3.286 N/A PHE 4.A N PHE 66.A O no hydrogen 2.934 N/A SER 5.A OG GLU 8.A OE2 no hydrogen 3.402 N/A LEU 9.A N PHE 6.A O no hydrogen 3.261 N/A LYS 10.A N TYR 7.A O no hydrogen 2.957 N/A ASN 11.A N TYR 7.A O no hydrogen 3.504 N/A THR 13.A OG1 LEU 9.A O no hydrogen 3.230 N/A THR 13.A OG1 LYS 10.A O no hydrogen 2.725 N/A ASN 14.A N ASN 11.A O no hydrogen 3.153 N/A ASN 14.A ND2 ASP 17.A OD2 no hydrogen 3.501 N/A ASN 15.A N LYS 10.A O no hydrogen 2.947 N/A PHE 16.A N THR 13.A OG1 no hydrogen 3.276 N/A ASP 17.A N THR 13.A O no hydrogen 3.106 N/A ARG 19.A N ASP 17.A O no hydrogen 3.203 N/A ASN 21.A N ASP 17.A O no hydrogen 2.932 N/A ASN 21.A ND2 LYS 29.A O no hydrogen 3.347 N/A LYS 22.A NZ GLU 25.A OE2 no hydrogen 3.524 N/A MET 23.A N VAL 27.A O no hydrogen 2.797 N/A GLY 24.A N VAL 27.A O no hydrogen 3.313 N/A VAL 26.A N LYS 39.A O no hydrogen 2.924 N/A VAL 27.A N GLY 24.A O no hydrogen 2.801 N/A TYR 28.A N VAL 37.A O no hydrogen 2.799 N/A TYR 28.A OH GLU 18.A OE2 no hydrogen 3.105 N/A LYS 29.A N ASN 21.A O no hydrogen 2.752 N/A VAL 32.A N THR 33.A O no hydrogen 2.874 N/A THR 33.A OG1 VAL 32.A O no hydrogen 3.109 N/A VAL 35.A N GLY 30.A O no hydrogen 2.923 N/A ALA 36.A N TYR 71.A O no hydrogen 2.755 N/A VAL 37.A N TYR 28.A O no hydrogen 2.937 N/A LYS 38.A N LEU 69.A O no hydrogen 2.770 N/A LYS 39.A N VAL 26.A O no hydrogen 2.795 N/A LYS 42.A NZ ASP 46.A OD1 no hydrogen 3.521 N/A PHE 45.A N LEU 41.A O no hydrogen 3.187 N/A ASP 46.A N LYS 42.A O no hydrogen 3.283 N/A GLN 47.A N GLN 43.A O no hydrogen 3.333 N/A GLU 48.A N GLN 44.A O no hydrogen 3.278 N/A ILE 49.A N PHE 45.A O no hydrogen 3.449 N/A LYS 50.A N ASP 46.A O no hydrogen 3.116 N/A VAL 51.A N GLN 47.A O no hydrogen 2.964 N/A MET 52.A N GLU 48.A O no hydrogen 3.179 N/A ALA 53.A N ILE 49.A O no hydrogen 3.063 N/A CYS 55.A N VAL 51.A O no hydrogen 2.809 N/A CYS 55.A SG VAL 51.A O no hydrogen 3.389 N/A CYS 55.A SG HIS 116.A ND1 no hydrogen 3.924 N/A GLN 56.A NE2 ALA 53.A O no hydrogen 3.174 N/A ASN 59.A N HIS 57.A ND1 no hydrogen 3.048 N/A ASN 59.A ND2 ALA 134.A O no hydrogen 2.844 N/A LEU 60.A N HIS 57.A O no hydrogen 3.180 N/A VAL 61.A N ILE 136.A O no hydrogen 2.935 N/A LEU 64.A N VAL 70.A O no hydrogen 2.788 N/A GLY 65.A N VAL 70.A O no hydrogen 3.331 N/A PHE 66.A N HIS 2.A O no hydrogen 3.240 N/A SER 67.A OG PHE 4.A O no hydrogen 3.243 N/A LEU 69.A N LYS 38.A O no hydrogen 2.890 N/A VAL 70.A N GLY 65.A O no hydrogen 3.304 N/A TYR 71.A N ALA 36.A O no hydrogen 2.818 N/A VAL 72.A N GLU 62.A O no hydrogen 3.267 N/A TYR 73.A N THR 34.A O no hydrogen 2.977 N/A ASN 76.A N LEU 128.A O no hydrogen 3.033 N/A ASN 76.A ND2 ASP 129.A O no hydrogen 2.815 N/A GLY 77.A N MET 74.A O no hydrogen 3.284 N/A LEU 79.A N ILE 126.A O no hydrogen 2.782 N/A LEU 80.A N SER 123.A O no hydrogen 3.168 N/A ASP 81.A N SER 78.A OG no hydrogen 3.217 N/A ARG 82.A N SER 78.A O no hydrogen 3.144 N/A ARG 82.A NE THR 89.A OG1 no hydrogen 2.847 N/A ARG 82.A NH1 LEU 86.A O no hydrogen 2.874 N/A ARG 82.A NH1 THR 89.A OG1 no hydrogen 3.186 N/A ARG 82.A NH2 ASN 76.A O no hydrogen 2.904 N/A LEU 83.A N LEU 79.A O no hydrogen 2.891 N/A SER 84.A N LEU 80.A O no hydrogen 3.190 N/A SER 84.A OG LEU 80.A O no hydrogen 3.386 N/A SER 84.A OG ASP 81.A O no hydrogen 3.280 N/A CYS 85.A N ARG 82.A O no hydrogen 3.293 N/A LEU 86.A N ASP 81.A O no hydrogen 2.897 N/A GLY 88.A N CYS 85.A O no hydrogen 3.312 N/A THR 89.A OG1 LEU 86.A O no hydrogen 3.209 N/A TRP 94.A N ASP 220.A OD1 no hydrogen 2.780 N/A TRP 94.A NE1 SER 225.A OG no hydrogen 2.735 N/A HIS 95.A N ASP 220.A OD2 no hydrogen 3.130 N/A MET 96.A N SER 93.A OG no hydrogen 3.251 N/A ARG 97.A N SER 93.A O no hydrogen 2.945 N/A ARG 97.A NE LEU 92.A O no hydrogen 2.794 N/A ARG 97.A NH1 ILE 180.A O no hydrogen 2.770 N/A ARG 97.A NH1 ASP 215.A OD2 no hydrogen 2.782 N/A ARG 97.A NH2 LEU 92.A O no hydrogen 2.875 N/A ARG 97.A NH2 ASP 215.A OD2 no hydrogen 2.880 N/A CYS 98.A N TRP 94.A O no hydrogen 2.943 N/A CYS 98.A SG TRP 94.A O no hydrogen 3.539 N/A LYS 99.A N HIS 95.A O no hydrogen 3.324 N/A ILE 100.A N MET 96.A O no hydrogen 2.932 N/A ALA 101.A N ARG 97.A O no hydrogen 2.927 N/A GLN 102.A N CYS 98.A O no hydrogen 3.017 N/A GLN 102.A NE2 LEU 254.A O no hydrogen 2.821 N/A GLN 102.A NE2 THR 258.A OG1 no hydrogen 2.794 N/A GLY 103.A N LYS 99.A O no hydrogen 2.825 N/A ALA 104.A N ILE 100.A O no hydrogen 2.869 N/A ALA 105.A N ALA 101.A O no hydrogen 3.113 N/A ASN 106.A N GLN 102.A O no hydrogen 3.051 N/A GLY 107.A N GLY 103.A O no hydrogen 3.042 N/A ILE 108.A N ALA 104.A O no hydrogen 3.036 N/A ASN 109.A N ALA 105.A O no hydrogen 2.829 N/A ASN 109.A ND2 GLU 113.A OE2 no hydrogen 3.055 N/A PHE 110.A N ASN 106.A O no hydrogen 3.128 N/A LEU 111.A N GLY 107.A O no hydrogen 3.216 N/A HIS 112.A N ILE 108.A O no hydrogen 2.902 N/A HIS 112.A NE2 ASP 169.A OD2 no hydrogen 2.878 N/A GLU 113.A N ASN 109.A O no hydrogen 2.824 N/A ASN 114.A N PHE 110.A O no hydrogen 3.271 N/A ASN 114.A ND2 PHE 110.A O no hydrogen 2.808 N/A HIS 115.A N HIS 112.A O no hydrogen 3.065 N/A HIS 116.A N LEU 111.A O no hydrogen 2.873 N/A ILE 117.A N ARG 143.A O no hydrogen 2.796 N/A HIS 118.A N ASP 169.A OD2 no hydrogen 2.795 N/A HIS 118.A NE2 SER 137.A O no hydrogen 2.771 N/A ARG 119.A N ASP 169.A OD1 no hydrogen 2.973 N/A ARG 119.A NE LEU 141.A O no hydrogen 2.792 N/A ARG 119.A NH2 LEU 141.A O no hydrogen 3.074 N/A ASP 120.A N HIS 118.A ND1 no hydrogen 2.980 N/A LYS 122.A NZ THR 151.A OG1 no hydrogen 2.817 N/A SER 123.A OG TYR 154.A OH no hydrogen 3.080 N/A SER 123.A OG GLU 179.A OE1 no hydrogen 2.892 N/A SER 123.A OG GLU 179.A OE2 no hydrogen 2.860 N/A ASN 125.A N LYS 122.A O no hydrogen 3.000 N/A ASN 125.A ND2 ASP 120.A O no hydrogen 2.816 N/A ASN 125.A ND2 ASP 120.A OD2 no hydrogen 3.455 N/A ILE 126.A N SER 123.A O no hydrogen 3.390 N/A LEU 127.A N LYS 135.A O no hydrogen 2.753 N/A LEU 128.A N GLY 77.A O no hydrogen 2.848 N/A ASP 129.A N THR 133.A O no hydrogen 3.363 N/A ALA 131.A N ASP 129.A OD1 no hydrogen 3.024 N/A PHE 132.A N ASP 129.A O no hydrogen 2.902 N/A THR 133.A N ASP 129.A OD1 no hydrogen 2.897 N/A LYS 135.A N LEU 127.A O no hydrogen 2.768 N/A LYS 135.A NZ GLU 58.A O no hydrogen 2.793 N/A ILE 136.A N ASN 59.A O no hydrogen 2.823 N/A SER 137.A N ASN 125.A O no hydrogen 2.883 N/A SER 137.A OG ASN 125.A O no hydrogen 2.920 N/A PHE 139.A N GLU 48.A OE1 no hydrogen 3.190 N/A ARG 143.A N ILE 117.A O no hydrogen 2.905 N/A THR 151.A OG1 ASP 120.A OD1 no hydrogen 3.282 N/A TYR 154.A N THR 151.A O no hydrogen 3.034 N/A TYR 154.A OH SER 123.A OG no hydrogen 3.080 N/A TYR 154.A OH GLU 179.A OE1 no hydrogen 2.742 N/A TYR 154.A OH GLU 179.A OE2 no hydrogen 3.287 N/A MET 155.A N THR 152.A O no hydrogen 3.273 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 3.083 N/A ALA 159.A N ALA 156.A O no hydrogen 3.036 N/A LEU 160.A N ALA 156.A O no hydrogen 3.212 N/A ARG 161.A N PRO 157.A O no hydrogen 3.237 N/A GLY 162.A N ALA 159.A O no hydrogen 3.235 N/A GLU 163.A N GLU 158.A O no hydrogen 2.983 N/A ILE 164.A N VAL 145.A O no hydrogen 2.774 N/A LYS 167.A N THR 165.A OG1 no hydrogen 3.362 N/A LYS 167.A NZ ASN 242.A OD1 no hydrogen 3.119 N/A SER 168.A N THR 165.A O no hydrogen 2.967 N/A SER 168.A OG GLU 158.A OE2 no hydrogen 2.742 N/A SER 168.A OG THR 165.A O no hydrogen 3.446 N/A ASP 169.A N PRO 166.A O no hydrogen 3.175 N/A TYR 171.A N LYS 167.A O no hydrogen 3.402 N/A SER 172.A N SER 168.A O no hydrogen 3.126 N/A SER 172.A OG TYR 154.A O no hydrogen 2.876 N/A SER 172.A OG SER 168.A O no hydrogen 3.163 N/A PHE 173.A N ASP 169.A O no hydrogen 2.971 N/A GLY 174.A N ILE 170.A O no hydrogen 3.019 N/A VAL 175.A N TYR 171.A O no hydrogen 3.245 N/A VAL 175.A N SER 172.A O no hydrogen 3.123 N/A VAL 176.A N SER 172.A O no hydrogen 3.198 N/A LEU 177.A N PHE 173.A O no hydrogen 2.944 N/A LEU 178.A N GLY 174.A O no hydrogen 3.245 N/A GLU 179.A N VAL 175.A O no hydrogen 3.061 N/A ILE 180.A N VAL 176.A O no hydrogen 2.952 N/A ILE 181.A N LEU 177.A O no hydrogen 3.123 N/A THR 182.A N LEU 178.A O no hydrogen 2.996 N/A THR 182.A OG1 LEU 178.A O no hydrogen 2.734 N/A GLY 183.A N GLU 179.A O no hydrogen 2.739 N/A LEU 184.A N THR 182.A OG1 no hydrogen 3.111 N/A ASP 188.A N GLN 194.A O no hydrogen 2.950 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.780 N/A ARG 191.A NE PRO 193.A O no hydrogen 3.074 N/A ARG 191.A NH1 PRO 185.A O no hydrogen 2.939 N/A ARG 191.A NH2 PRO 185.A O no hydrogen 3.058 N/A ARG 191.A NH2 GLN 194.A O no hydrogen 2.974 N/A GLN 194.A NE2 ARG 191.A O no hydrogen 3.539 N/A LEU 196.A N ALA 186.A O no hydrogen 2.855 N/A ASP 198.A N LEU 195.A O no hydrogen 3.332 N/A ILE 199.A N LEU 196.A O no hydrogen 2.853 N/A LYS 200.A N LEU 197.A O no hydrogen 3.399 N/A LYS 200.A NZ GLU 204.A OE1 no hydrogen 3.006 N/A LYS 200.A NZ GLU 204.A OE2 no hydrogen 3.529 N/A GLU 201.A N ASP 198.A O no hydrogen 3.248 N/A GLU 202.A N ASP 198.A O no hydrogen 3.429 N/A ILE 203.A N ILE 199.A O no hydrogen 2.991 N/A GLU 204.A N LYS 200.A O no hydrogen 3.065 N/A ASP 205.A N GLU 201.A O no hydrogen 2.920 N/A GLU 206.A N ILE 203.A O no hydrogen 3.018 N/A GLU 207.A N GLU 202.A O no hydrogen 2.849 N/A LYS 208.A N GLU 202.A O no hydrogen 3.268 N/A LYS 208.A NZ GLU 202.A OE1 no hydrogen 3.052 N/A LYS 208.A NZ GLU 207.A OE1 no hydrogen 3.006 N/A THR 209.A OG1 ASP 212.A OD1 no hydrogen 2.725 N/A TYR 213.A N ILE 210.A O no hydrogen 2.885 N/A TYR 213.A OH GLU 202.A OE2 no hydrogen 2.743 N/A ASP 215.A N ILE 181.A O no hydrogen 2.856 N/A LYS 217.A N ASP 215.A OD1 no hydrogen 3.132 N/A LYS 217.A NZ ASP 215.A OD1 no hydrogen 2.980 N/A SER 225.A N ASP 222.A OD2 no hydrogen 3.065 N/A SER 225.A OG ASP 222.A O no hydrogen 3.341 N/A SER 225.A OG ASP 222.A OD1 no hydrogen 2.640 N/A SER 225.A OG ASP 222.A OD2 no hydrogen 3.230 N/A VAL 226.A N ASP 222.A O no hydrogen 3.119 N/A GLU 227.A N SER 223.A O no hydrogen 2.886 N/A ALA 228.A N THR 224.A O no hydrogen 3.112 N/A MET 229.A N SER 225.A O no hydrogen 2.961 N/A TYR 230.A N VAL 226.A O no hydrogen 2.986 N/A SER 231.A N GLU 227.A O no hydrogen 2.923 N/A VAL 232.A N ALA 228.A O no hydrogen 3.258 N/A ALA 233.A N MET 229.A O no hydrogen 2.917 N/A SER 234.A N TYR 230.A O no hydrogen 2.789 N/A GLN 235.A N SER 231.A O no hydrogen 3.046 N/A CYS 236.A N VAL 232.A O no hydrogen 2.972 N/A CYS 236.A SG VAL 232.A O no hydrogen 3.299 N/A LEU 237.A N ALA 233.A O no hydrogen 2.999 N/A LYS 241.A NZ ASN 242.A OD1 no hydrogen 3.114 N/A LYS 243.A N LYS 240.A O no hydrogen 2.964 N/A ARG 244.A N LYS 241.A O no hydrogen 3.350 N/A ARG 244.A NE HIS 238.A O no hydrogen 2.725 N/A ARG 244.A NH1 GLU 158.A OE1 no hydrogen 3.324 N/A ARG 244.A NH1 GLU 158.A OE2 no hydrogen 2.787 N/A ARG 244.A NH1 LYS 167.A O no hydrogen 2.882 N/A ARG 244.A NH2 GLU 158.A OE1 no hydrogen 2.873 N/A ARG 244.A NH2 HIS 238.A O no hydrogen 3.152 N/A LYS 248.A NZ GLU 113.A OE2 no hydrogen 3.142 N/A LYS 248.A NZ GLN 251.A OE1 no hydrogen 3.386 N/A LYS 249.A N ASP 246.A O no hydrogen 3.160 N/A LYS 249.A N ASP 246.A OD1 no hydrogen 3.088 N/A LYS 249.A NZ GLN 252.A OE1 no hydrogen 2.991 N/A VAL 250.A N ASP 246.A O no hydrogen 3.136 N/A GLN 251.A N ILE 247.A O no hydrogen 2.812 N/A GLN 251.A NE2 ASN 106.A OD1 no hydrogen 2.812 N/A GLN 252.A N LYS 248.A O no hydrogen 2.995 N/A LEU 253.A N LYS 249.A O no hydrogen 2.826 N/A LEU 254.A N VAL 250.A O no hydrogen 2.913 N/A GLN 255.A N GLN 251.A O no hydrogen 3.268 N/A GLU 256.A N GLN 252.A O no hydrogen 3.215 N/A THR 258.A N GLN 255.A O no hydrogen 3.194 N/A THR 258.A OG1 GLN 255.A O no hydrogen 3.161 N/A