Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5t91_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ASN 1.A OD1 no hydrogen 3.107 N/A SER 4.A N ASN 1.A O no hydrogen 3.140 N/A ASP 6.A N SER 4.A OG no hydrogen 3.353 N/A ARG 7.A N SER 4.A O no hydrogen 2.986 N/A ARG 7.A NH2 ASP 37.A OD1 no hydrogen 3.314 N/A LEU 9.A N THR 241.A O no hydrogen 3.005 N/A THR 10.A N ASP 37.A OD2 no hydrogen 2.809 N/A VAL 11.A N VAL 243.A O no hydrogen 2.964 N/A ALA 12.A N PHE 38.A O no hydrogen 2.880 N/A HIS 13.A N THR 245.A O no hydrogen 2.789 N/A HIS 13.A ND1 ASN 246.A OD1 no hydrogen 2.909 N/A ARG 14.A N GLU 40.A OE1 no hydrogen 2.905 N/A ARG 14.A NH1 GLU 22.A OE1 no hydrogen 2.967 N/A ARG 14.A NH1 GLU 22.A OE2 no hydrogen 3.517 N/A GLY 15.A N ALA 12.A O no hydrogen 2.919 N/A ALA 16.A N SER 27.A O no hydrogen 3.037 N/A SER 17.A OG HIS 13.A O no hydrogen 2.671 N/A GLY 18.A N ASN 246.A O no hydrogen 2.867 N/A TYR 19.A N ALA 16.A O no hydrogen 2.993 N/A TYR 19.A OH ASP 249.A OD1 no hydrogen 2.782 N/A VAL 20.A N ALA 16.A O no hydrogen 3.040 N/A HIS 23.A N ARG 14.A O no hydrogen 3.087 N/A HIS 23.A ND1 TYR 28.A OH no hydrogen 2.766 N/A HIS 23.A NE2 ASP 42.A OD2 no hydrogen 2.854 N/A THR 24.A OG1 PRO 21.A O no hydrogen 2.799 N/A SER 27.A N THR 24.A OG1 no hydrogen 3.173 N/A SER 27.A OG ARG 14.A O no hydrogen 2.846 N/A TYR 28.A N THR 24.A O no hydrogen 3.126 N/A TYR 28.A OH HIS 23.A ND1 no hydrogen 2.766 N/A GLU 29.A N ILE 25.A O no hydrogen 2.858 N/A THR 30.A N LEU 26.A O no hydrogen 2.900 N/A THR 30.A OG1 LEU 26.A O no hydrogen 2.794 N/A ALA 31.A N SER 27.A O no hydrogen 2.942 N/A GLN 32.A N TYR 28.A O no hydrogen 2.894 N/A GLN 32.A NE2 HIS 116.A O no hydrogen 3.013 N/A LYS 33.A N GLU 29.A O no hydrogen 2.943 N/A MET 34.A N THR 30.A O no hydrogen 2.950 N/A LYS 35.A N GLN 32.A O no hydrogen 2.985 N/A ALA 36.A N ALA 31.A O no hydrogen 3.066 N/A ASP 37.A N THR 10.A O no hydrogen 2.971 N/A PHE 38.A N THR 10.A O no hydrogen 3.090 N/A ILE 39.A N ASN 118.A O no hydrogen 2.923 N/A GLU 40.A N ALA 12.A O no hydrogen 3.107 N/A LEU 41.A N TYR 120.A O no hydrogen 2.845 N/A GLN 44.A N ILE 52.A O no hydrogen 2.924 N/A GLN 44.A NE2 MET 54.A O no hydrogen 3.007 N/A THR 46.A N LYS 50.A O no hydrogen 2.822 N/A THR 46.A OG1 ASP 48.A OD1 no hydrogen 2.646 N/A THR 46.A OG1 LYS 50.A O no hydrogen 3.469 N/A LYS 47.A N HIS 72.A O no hydrogen 2.799 N/A ASP 48.A N ASP 48.A OD1 no hydrogen 2.651 N/A GLY 49.A N THR 46.A O no hydrogen 2.931 N/A LYS 50.A N THR 46.A OG1 no hydrogen 2.902 N/A ILE 52.A N GLN 44.A O no hydrogen 2.893 N/A VAL 53.A N PRO 104.A O no hydrogen 2.975 N/A MET 54.A N ASP 42.A O no hydrogen 2.999 N/A HIS 55.A ND1 ASP 42.A OD2 no hydrogen 2.867 N/A LEU 59.A N GLY 67.A O no hydrogen 2.732 N/A ARG 61.A NE ASP 56.A OD2 no hydrogen 2.806 N/A ARG 61.A NH1 GLU 22.A OE1 no hydrogen 2.965 N/A ARG 61.A NH2 GLU 22.A OE1 no hydrogen 3.457 N/A ARG 61.A NH2 GLU 22.A OE2 no hydrogen 2.887 N/A ARG 61.A NH2 ASP 56.A OD2 no hydrogen 3.561 N/A THR 63.A N LEU 59.A O no hydrogen 3.160 N/A THR 63.A OG1 LEU 59.A O no hydrogen 2.740 N/A ASN 64.A N ASP 81.A O no hydrogen 3.313 N/A GLY 65.A N THR 63.A OG1 no hydrogen 2.837 N/A GLY 67.A N ASP 60.A OD1 no hydrogen 2.802 N/A VAL 69.A N GLU 57.A O no hydrogen 2.895 N/A ASP 71.A N TRP 68.A O no hydrogen 3.004 N/A HIS 72.A N VAL 69.A O no hydrogen 2.927 N/A HIS 72.A ND1 TRP 68.A O no hydrogen 3.000 N/A LEU 74.A N ASP 48.A OD1 no hydrogen 2.987 N/A ASP 76.A N THR 73.A OG1 no hydrogen 3.290 N/A ILE 77.A N THR 73.A O no hydrogen 3.080 N/A LYS 78.A N LEU 74.A O no hydrogen 2.828 N/A LYS 78.A NZ VAL 103.A O no hydrogen 2.730 N/A LYS 78.A NZ GLU 108.A OE1 no hydrogen 2.819 N/A LYS 78.A NZ GLU 108.A OE2 no hydrogen 3.497 N/A LYS 79.A N ASP 76.A O no hydrogen 3.126 N/A LEU 80.A N ILE 77.A O no hydrogen 3.019 N/A ASP 81.A N ASN 64.A OD1 no hydrogen 2.842 N/A ALA 82.A N LEU 101.A O no hydrogen 2.636 N/A GLY 83.A N ASP 81.A OD1 no hydrogen 2.967 N/A SER 84.A N ASP 81.A OD1 no hydrogen 3.089 N/A SER 84.A OG ASP 81.A OD2 no hydrogen 2.651 N/A TRP 85.A NE1 ALA 82.A O no hydrogen 3.135 N/A PHE 86.A N GLY 83.A O no hydrogen 3.131 N/A ASN 87.A ND2 LYS 95.A O no hydrogen 2.871 N/A GLU 88.A N SER 84.A O no hydrogen 3.107 N/A ALA 89.A N TRP 85.A O no hydrogen 2.874 N/A TYR 90.A N PHE 86.A O no hydrogen 2.864 N/A GLU 92.A N GLU 92.A OE1 no hydrogen 2.600 N/A LYS 93.A N TYR 90.A O no hydrogen 2.789 N/A LYS 93.A NZ GLY 18.A O no hydrogen 2.906 N/A LYS 93.A NZ TYR 247.A OH no hydrogen 2.797 N/A ALA 94.A N PRO 91.A O no hydrogen 3.365 N/A LYS 95.A N ASN 87.A OD1 no hydrogen 3.125 N/A GLN 97.A N GLN 97.A OE1 no hydrogen 3.247 N/A TYR 98.A N LYS 95.A O no hydrogen 3.026 N/A TYR 98.A OH TYR 19.A O no hydrogen 2.582 N/A VAL 99.A N PRO 96.A O no hydrogen 3.138 N/A GLY 100.A N ASP 81.A OD1 no hydrogen 2.974 N/A LEU 101.A N TYR 98.A O no hydrogen 3.453 N/A LYS 102.A NZ LYS 78.A O no hydrogen 3.241 N/A THR 105.A N GLU 108.A OE1 no hydrogen 2.996 N/A LEU 106.A N LEU 51.A O no hydrogen 3.074 N/A GLU 108.A N THR 105.A OG1 no hydrogen 3.001 N/A VAL 109.A N THR 105.A O no hydrogen 3.187 N/A LEU 110.A N LEU 106.A O no hydrogen 2.968 N/A ASP 111.A N GLU 107.A O no hydrogen 2.877 N/A ARG 112.A N GLU 108.A O no hydrogen 2.888 N/A ARG 112.A NE GLU 29.A OE2 no hydrogen 2.835 N/A ARG 112.A NH1 ARG 112.A O no hydrogen 2.967 N/A ARG 112.A NH2 GLU 29.A OE2 no hydrogen 3.150 N/A PHE 113.A N VAL 109.A O no hydrogen 3.035 N/A GLY 114.A N LEU 110.A O no hydrogen 2.855 N/A HIS 116.A N PHE 113.A O no hydrogen 2.853 N/A ASN 118.A ND2 ASP 37.A O no hydrogen 2.962 N/A TYR 119.A N GLN 149.A O no hydrogen 2.908 N/A TYR 119.A OH GLY 114.A O no hydrogen 2.676 N/A TYR 120.A N ILE 39.A O no hydrogen 2.810 N/A TYR 120.A OH HIS 222.A ND1 no hydrogen 2.793 N/A ILE 121.A N ILE 151.A O no hydrogen 2.876 N/A GLU 122.A N LEU 41.A O no hydrogen 2.889 N/A THR 123.A N GLN 153.A O no hydrogen 2.952 N/A THR 123.A OG1 SER 159.A OG no hydrogen 2.842 N/A LYS 124.A NZ GLU 122.A OE1 no hydrogen 3.366 N/A SER 125.A OG ASP 127.A OD1 no hydrogen 2.802 N/A SER 125.A OG THR 128.A OG1 no hydrogen 2.890 N/A THR 128.A N SER 125.A O no hydrogen 2.932 N/A THR 128.A OG1 SER 125.A O no hydrogen 3.349 N/A THR 128.A OG1 SER 125.A OG no hydrogen 2.890 N/A TYR 129.A OH GLN 44.A OE1 no hydrogen 2.706 N/A MET 132.A N TYR 129.A O no hydrogen 2.929 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 3.079 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.723 N/A LYS 135.A N GLY 131.A O no hydrogen 3.020 N/A LYS 135.A NZ GLY 49.A O no hydrogen 2.938 N/A LEU 136.A N MET 132.A O no hydrogen 2.876 N/A ILE 137.A N GLU 133.A O no hydrogen 2.893 N/A ALA 138.A N GLU 134.A O no hydrogen 2.931 N/A SER 139.A N LYS 135.A O no hydrogen 2.900 N/A SER 139.A OG LYS 135.A O no hydrogen 3.251 N/A LEU 140.A N LEU 136.A O no hydrogen 2.916 N/A GLN 141.A N ILE 137.A O no hydrogen 2.903 N/A LYS 142.A N ALA 138.A O no hydrogen 2.930 N/A LYS 142.A NZ GLU 107.A OE1 no hydrogen 3.429 N/A LYS 142.A NZ GLU 107.A OE2 no hydrogen 3.080 N/A HIS 143.A N SER 139.A O no hydrogen 3.300 N/A HIS 143.A N LEU 140.A O no hydrogen 3.253 N/A HIS 143.A NE2 GLU 107.A OE1 no hydrogen 2.784 N/A LYS 144.A N GLN 141.A O no hydrogen 2.934 N/A LEU 145.A N LEU 140.A O no hydrogen 2.900 N/A ILE 151.A N TYR 119.A O no hydrogen 2.879 N/A ILE 152.A N PRO 171.A O no hydrogen 2.933 N/A GLN 153.A N ILE 121.A O no hydrogen 2.880 N/A GLN 153.A NE2 GLU 40.A OE2 no hydrogen 2.775 N/A SER 154.A N VAL 173.A O no hydrogen 3.093 N/A SER 154.A OG THR 123.A O no hydrogen 2.862 N/A SER 154.A OG SER 156.A O no hydrogen 3.556 N/A SER 156.A N SER 154.A OG no hydrogen 2.912 N/A SER 159.A N SER 156.A OG no hydrogen 3.246 N/A SER 159.A OG THR 123.A OG1 no hydrogen 2.842 N/A SER 159.A OG LYS 124.A O no hydrogen 3.195 N/A SER 159.A OG GLU 133.A OE2 no hydrogen 2.774 N/A LEU 160.A N SER 156.A O no hydrogen 3.258 N/A VAL 161.A N LYS 157.A O no hydrogen 2.897 N/A LYS 162.A N GLU 158.A O no hydrogen 2.914 N/A LYS 162.A NZ GLU 133.A OE1 no hydrogen 2.733 N/A LYS 162.A NZ GLU 134.A OE1 no hydrogen 3.076 N/A LYS 162.A NZ GLU 134.A OE2 no hydrogen 3.066 N/A VAL 163.A N SER 159.A O no hydrogen 2.892 N/A HIS 164.A N LEU 160.A O no hydrogen 2.874 N/A GLN 165.A N VAL 161.A O no hydrogen 2.938 N/A LEU 166.A N LYS 162.A O no hydrogen 2.910 N/A GLN 167.A N VAL 163.A O no hydrogen 2.669 N/A LEU 170.A N GLN 167.A O no hydrogen 2.868 N/A THR 172.A OG1 TYR 195.A O no hydrogen 2.750 N/A VAL 173.A N ILE 152.A O no hydrogen 2.813 N/A GLN 174.A N GLY 198.A O no hydrogen 3.120 N/A GLN 174.A NE2 PHE 155.A O no hydrogen 3.024 N/A GLN 174.A NE2 LEU 175.A O no hydrogen 3.052 N/A LEU 175.A N SER 154.A O no hydrogen 2.891 N/A LEU 176.A N GLY 200.A O no hydrogen 2.897 N/A GLU 177.A N GLN 180.A OE1 no hydrogen 2.902 N/A LYS 179.A NZ GLU 177.A OE1 no hydrogen 3.301 N/A MET 181.A N GLU 177.A O no hydrogen 3.046 N/A ALA 182.A N ALA 178.A O no hydrogen 2.902 N/A SER 183.A N GLN 180.A O no hydrogen 3.331 N/A SER 183.A OG LYS 179.A O no hydrogen 2.922 N/A MET 184.A N MET 181.A O no hydrogen 3.187 N/A ALA 188.A N THR 185.A OG1 no hydrogen 3.340 N/A LEU 189.A N THR 185.A O no hydrogen 3.141 N/A GLU 190.A N ASP 186.A O no hydrogen 2.899 N/A GLU 191.A N ALA 187.A O no hydrogen 2.914 N/A ILE 192.A N ALA 188.A O no hydrogen 2.903 N/A LYS 193.A N LEU 189.A O no hydrogen 2.915 N/A LYS 193.A NZ HIS 217.A O no hydrogen 2.836 N/A THR 194.A N GLU 191.A O no hydrogen 3.089 N/A THR 194.A OG1 GLU 191.A O no hydrogen 2.593 N/A THR 194.A OG1 GLU 191.A OE1 no hydrogen 3.369 N/A TYR 195.A N ILE 192.A O no hydrogen 3.143 N/A TYR 195.A OH GLN 174.A OE1 no hydrogen 2.698 N/A ALA 196.A N ILE 192.A O no hydrogen 2.808 N/A VAL 197.A N THR 172.A O no hydrogen 2.824 N/A ALA 199.A N LEU 220.A O no hydrogen 2.872 N/A GLY 200.A N GLN 174.A O no hydrogen 2.891 N/A ASP 202.A N LEU 176.A O no hydrogen 3.013 N/A TYR 203.A N TYR 224.A O no hydrogen 2.818 N/A LYS 204.A N ASP 202.A OD1 no hydrogen 3.032 N/A ALA 205.A N ASP 202.A O no hydrogen 3.148 N/A LEU 206.A N TYR 203.A O no hydrogen 3.120 N/A ASN 207.A N ASN 210.A OD1 no hydrogen 2.999 N/A GLN 208.A NE2 GLN 208.A O no hydrogen 2.816 N/A GLN 208.A NE2 TRP 238.A O no hydrogen 2.898 N/A ASN 210.A N ASN 207.A OD1 no hydrogen 3.060 N/A ASN 210.A ND2 ALA 205.A O no hydrogen 3.077 N/A VAL 211.A N ASN 207.A O no hydrogen 3.133 N/A ARG 212.A N GLN 208.A O no hydrogen 2.938 N/A MET 213.A N GLU 209.A O no hydrogen 2.895 N/A ILE 214.A N ASN 210.A O no hydrogen 2.906 N/A ARG 215.A N VAL 211.A O no hydrogen 2.938 N/A ARG 215.A NH2 LEU 219.A O no hydrogen 2.853 N/A SER 216.A N ARG 212.A O no hydrogen 2.907 N/A SER 216.A N MET 213.A O no hydrogen 3.123 N/A SER 216.A OG MET 213.A O no hydrogen 2.447 N/A HIS 217.A N ILE 214.A O no hydrogen 3.138 N/A HIS 217.A NE2 ASP 186.A OD1 no hydrogen 3.099 N/A GLY 218.A N ARG 215.A O no hydrogen 3.024 N/A LEU 220.A N VAL 197.A O no hydrogen 2.865 N/A LEU 221.A N THR 241.A OG1 no hydrogen 2.864 N/A HIS 222.A N ALA 199.A O no hydrogen 3.001 N/A HIS 222.A ND1 TYR 120.A OH no hydrogen 2.793 N/A TYR 224.A N PRO 201.A O no hydrogen 3.046 N/A TYR 224.A OH LEU 176.A O no hydrogen 3.165 N/A VAL 226.A N PHE 244.A O no hydrogen 2.794 N/A MET 232.A N ASN 228.A O no hydrogen 3.003 N/A HIS 233.A N GLU 229.A O no hydrogen 2.940 N/A HIS 233.A ND1 TYR 258.A OH no hydrogen 2.599 N/A ARG 234.A N ALA 230.A O no hydrogen 2.975 N/A ARG 234.A NH1 ASP 231.A OD1 no hydrogen 3.266 N/A ARG 234.A NH2 ASP 231.A OD1 no hydrogen 2.624 N/A LEU 235.A N ASP 231.A O no hydrogen 2.907 N/A LEU 236.A N MET 232.A O no hydrogen 2.940 N/A ASP 237.A N HIS 233.A O no hydrogen 2.902 N/A TRP 238.A N ARG 234.A O no hydrogen 2.933 N/A GLY 239.A N LEU 235.A O no hydrogen 2.998 N/A VAL 240.A N LEU 235.A O no hydrogen 3.123 N/A THR 241.A N LEU 221.A O no hydrogen 2.890 N/A THR 241.A OG1 LEU 221.A O no hydrogen 3.345 N/A VAL 243.A N LEU 9.A O no hydrogen 3.069 N/A PHE 244.A N PRO 223.A O no hydrogen 2.966 N/A THR 245.A N VAL 11.A O no hydrogen 2.907 N/A THR 245.A OG1 VAL 226.A O no hydrogen 2.741 N/A THR 245.A OG1 ASN 227.A OD1 no hydrogen 3.531 N/A ASN 246.A N ASN 227.A OD1 no hydrogen 2.829 N/A TYR 247.A N THR 245.A OG1 no hydrogen 2.912 N/A LEU 250.A N ASP 249.A OD1 no hydrogen 2.837 N/A PHE 251.A N TYR 247.A O no hydrogen 3.240 N/A HIS 252.A N PRO 248.A O no hydrogen 2.909 N/A LYS 253.A N ASP 249.A O no hydrogen 2.963 N/A LYS 253.A NZ GLU 229.A OE2 no hydrogen 3.440 N/A VAL 254.A N LEU 250.A O no hydrogen 2.920 N/A LYS 255.A N PHE 251.A O no hydrogen 2.889 N/A LYS 255.A NZ ILE 8.A O no hydrogen 2.806 N/A LYS 255.A NZ THR 10.A OG1 no hydrogen 2.991 N/A GLY 257.A N VAL 254.A O no hydrogen 3.138 N/A TYR 258.A N LYS 255.A O no hydrogen 3.021 N/A TYR 258.A OH HIS 233.A ND1 no hydrogen 2.599 N/A