Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5l9e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 HIS 63.A NE2 no hydrogen 3.211 N/A GLY 5.A N ASN 10.A O no hydrogen 2.990 N/A GLY 7.A N ASN 10.A OD1 no hydrogen 2.915 N/A ASN 10.A ND2 HIS 3.A O no hydrogen 3.273 N/A HIS 14.A N GLY 11.A O no hydrogen 2.860 N/A TRP 15.A N PRO 12.A O no hydrogen 3.194 N/A TRP 15.A NE1 ASN 10.A O no hydrogen 2.997 N/A LYS 17.A N HIS 14.A O no hydrogen 3.201 N/A ALA 22.A N PHE 19.A O no hydrogen 3.087 N/A LYS 23.A N PRO 20.A O no hydrogen 3.261 N/A GLY 24.A N ILE 21.A O no hydrogen 2.691 N/A ARG 26.A N GLU 203.A OE2 no hydrogen 2.800 N/A ARG 26.A NH2 PRO 136.A O no hydrogen 3.445 N/A ARG 26.A NH2 GLY 194.A O no hydrogen 2.887 N/A GLN 27.A NE2 LEU 201.A O no hydrogen 3.011 N/A GLN 27.A NE2 GLU 203.A OE2 no hydrogen 3.568 N/A SER 28.A N SER 195.A OG no hydrogen 2.870 N/A SER 28.A OG TYR 192.A OH no hydrogen 2.893 N/A SER 28.A OG SER 195.A O no hydrogen 3.439 N/A ILE 32.A N THR 107.A O no hydrogen 2.805 N/A THR 34.A N ASP 109.A OD1 no hydrogen 2.941 N/A THR 34.A OG1 ASP 109.A OD1 no hydrogen 3.290 N/A THR 34.A OG1 ASP 109.A OD2 no hydrogen 3.045 N/A THR 36.A N ASP 33.A O no hydrogen 3.328 N/A THR 36.A N ASP 33.A OD2 no hydrogen 3.135 N/A THR 36.A OG1 ASP 33.A O no hydrogen 3.377 N/A THR 36.A OG1 ASP 33.A OD2 no hydrogen 2.932 N/A ALA 37.A N ASP 33.A O no hydrogen 2.977 N/A ASP 40.A N ALA 256.A O no hydrogen 2.862 N/A SER 42.A OG ASP 40.A OD1 no hydrogen 3.133 N/A SER 42.A OG ASP 40.A OD2 no hydrogen 2.756 N/A LEU 43.A N ASP 40.A O no hydrogen 3.243 N/A SER 47.A N LYS 79.A O no hydrogen 2.978 N/A SER 49.A N VAL 77.A O no hydrogen 2.998 N/A TYR 50.A OH HIS 121.A NE2 no hydrogen 2.755 N/A ALA 53.A N TYR 50.A O no hydrogen 3.199 N/A THR 54.A OG1 GLN 52.A O no hydrogen 3.097 N/A SER 55.A OG PHE 174.A O no hydrogen 2.585 N/A LEU 56.A N GLU 68.A O no hydrogen 2.750 N/A ILE 58.A N ALA 172.A O no hydrogen 2.903 N/A LEU 59.A N ASN 66.A O no hydrogen 3.013 N/A ASN 60.A N LYS 170.A O no hydrogen 3.081 N/A ASN 60.A ND2 ILE 165.A O no hydrogen 3.444 N/A ASN 60.A ND2 LYS 166.A O no hydrogen 3.201 N/A ASN 60.A ND2 ASN 228.A O no hydrogen 3.175 N/A ASN 61.A N ALA 64.A O no hydrogen 3.234 N/A GLY 62.A N ASN 60.A OD1 no hydrogen 2.705 N/A HIS 63.A N ASN 61.A OD1 no hydrogen 2.763 N/A ALA 64.A N ASN 61.A OD1 no hydrogen 2.993 N/A ASN 66.A N LEU 59.A O no hydrogen 2.893 N/A VAL 67.A N PHE 92.A O no hydrogen 3.019 N/A GLU 68.A N ARG 57.A O no hydrogen 2.848 N/A PHE 69.A N ILE 90.A O no hydrogen 2.900 N/A ASP 70.A N THR 54.A O no hydrogen 2.904 N/A SER 72.A N ASP 70.A OD1 no hydrogen 2.755 N/A SER 72.A OG ASP 70.A OD1 no hydrogen 2.604 N/A SER 72.A OG ASP 70.A OD2 no hydrogen 3.460 N/A VAL 77.A N SER 49.A O no hydrogen 2.962 N/A LEU 78.A N TYR 87.A O no hydrogen 2.825 N/A LYS 79.A N SER 47.A O no hydrogen 3.202 N/A GLY 81.A N PRO 45.A O no hydrogen 3.337 N/A LEU 83.A N GLY 80.A O no hydrogen 2.865 N/A TYR 87.A N LEU 78.A O no hydrogen 3.159 N/A TYR 87.A OH ASP 137.A O no hydrogen 2.719 N/A ARG 88.A N TRP 122.A O no hydrogen 2.982 N/A ARG 88.A NE ASP 74.A OD1 no hydrogen 2.999 N/A ARG 88.A NH1 ASP 71.A O no hydrogen 2.695 N/A LEU 89.A N ALA 76.A O no hydrogen 2.963 N/A ILE 90.A N VAL 120.A O no hydrogen 2.990 N/A PHE 92.A N VAL 67.A O no hydrogen 3.014 N/A HIS 93.A N HIS 118.A O no hydrogen 3.065 N/A HIS 93.A ND1 GLN 91.A OE1 no hydrogen 2.988 N/A HIS 95.A N GLU 116.A O no hydrogen 3.023 N/A HIS 95.A ND1 ASN 242.A O no hydrogen 3.004 N/A TRP 96.A N ASN 242.A OD1 no hydrogen 2.928 N/A TRP 96.A NE1 MET 239.A O no hydrogen 3.057 N/A SER 98.A N ASP 241.A OD1 no hydrogen 3.080 N/A SER 98.A OG ASP 241.A OD1 no hydrogen 3.299 N/A SER 98.A OG ASP 241.A OD2 no hydrogen 2.716 N/A GLN 102.A N LEU 99.A O no hydrogen 3.079 N/A GLN 102.A NE2 ASP 241.A OD1 no hydrogen 2.786 N/A SER 104.A N TYR 113.A O no hydrogen 2.977 N/A SER 104.A OG HIS 106.A O no hydrogen 2.996 N/A SER 104.A OG TYR 113.A O no hydrogen 3.561 N/A GLU 105.A N GLU 116.A OE1 no hydrogen 3.031 N/A HIS 106.A N GLU 116.A OE1 no hydrogen 2.905 N/A HIS 106.A ND1 GLU 116.A OE2 no hydrogen 2.769 N/A HIS 106.A NE2 TYR 192.A OH no hydrogen 2.961 N/A THR 107.A OG1 ASP 31.A OD1 no hydrogen 2.740 N/A VAL 108.A N LYS 111.A O no hydrogen 3.253 N/A ASP 109.A N ILE 32.A O no hydrogen 3.037 N/A LYS 110.A N ASP 31.A OD1 no hydrogen 2.865 N/A LYS 111.A N VAL 108.A O no hydrogen 3.032 N/A TYR 113.A N SER 104.A OG no hydrogen 2.909 N/A GLU 116.A N HIS 95.A O no hydrogen 2.922 N/A LEU 117.A N ILE 144.A O no hydrogen 2.718 N/A HIS 118.A N HIS 93.A O no hydrogen 2.940 N/A HIS 118.A NE2 GLU 116.A OE2 no hydrogen 2.527 N/A LEU 119.A N LEU 142.A O no hydrogen 2.848 N/A VAL 120.A N GLN 91.A O no hydrogen 2.922 N/A HIS 121.A N ALA 140.A O no hydrogen 2.868 N/A HIS 121.A ND1 ALA 140.A O no hydrogen 3.098 N/A HIS 121.A NE2 TYR 50.A OH no hydrogen 2.755 N/A TRP 122.A N ARG 88.A O no hydrogen 3.062 N/A ASN 123.A N GLY 138.A O no hydrogen 2.768 N/A ASN 123.A ND2 ASP 137.A O no hydrogen 3.446 N/A THR 124.A N THR 86.A O no hydrogen 2.882 N/A THR 124.A OG1 THR 86.A O no hydrogen 3.099 N/A LYS 125.A N ASN 123.A OD1 no hydrogen 3.026 N/A LYS 125.A NZ ASP 137.A OD2 no hydrogen 3.059 N/A TYR 126.A N ASN 123.A O no hydrogen 3.326 N/A TYR 126.A OH ASP 137.A OD1 no hydrogen 2.429 N/A GLY 127.A N THR 124.A O no hydrogen 3.270 N/A LYS 131.A N ASP 128.A OD1 no hydrogen 3.122 N/A ALA 132.A N ASP 128.A O no hydrogen 3.111 N/A VAL 133.A N PHE 129.A O no hydrogen 3.179 N/A GLN 134.A N LYS 131.A O no hydrogen 3.375 N/A GLN 135.A N ALA 132.A O no hydrogen 2.819 N/A GLY 138.A N GLN 135.A O no hydrogen 3.142 N/A LEU 139.A N CYS 204.A O no hydrogen 2.966 N/A ALA 140.A N HIS 121.A O no hydrogen 2.843 N/A VAL 141.A N THR 206.A O no hydrogen 3.278 N/A LEU 142.A N LEU 119.A O no hydrogen 2.817 N/A GLY 143.A N ILE 208.A O no hydrogen 2.749 N/A ILE 144.A N LEU 117.A O no hydrogen 2.770 N/A LEU 146.A N ALA 115.A O no hydrogen 3.184 N/A LYS 147.A N ILE 214.A O no hydrogen 2.831 N/A GLY 149.A N VAL 216.A O no hydrogen 2.752 N/A LYS 152.A N GLN 220.A OE1 no hydrogen 3.242 N/A LYS 152.A NZ LEU 183.A O no hydrogen 3.241 N/A LEU 155.A N LYS 152.A O no hydrogen 2.940 N/A GLN 156.A N PRO 153.A O no hydrogen 3.295 N/A GLN 156.A NE2 ASP 160.A OD1 no hydrogen 2.852 N/A VAL 159.A N LEU 155.A O no hydrogen 3.179 N/A ASP 160.A N GLN 156.A O no hydrogen 2.932 N/A VAL 161.A N VAL 158.A O no hydrogen 3.212 N/A LEU 162.A N VAL 159.A O no hydrogen 3.240 N/A SER 164.A N VAL 161.A O no hydrogen 3.114 N/A SER 164.A OG VAL 161.A O no hydrogen 2.585 N/A ILE 165.A N LEU 162.A O no hydrogen 3.240 N/A LYS 168.A N ASN 230.A O no hydrogen 2.804 N/A GLY 169.A N ASN 60.A O no hydrogen 2.854 N/A LYS 170.A N THR 167.A O no hydrogen 3.378 N/A LYS 170.A NZ GLU 232.A OE1 no hydrogen 2.484 N/A ALA 172.A N ILE 58.A O no hydrogen 2.817 N/A PHE 174.A N LEU 56.A O no hydrogen 2.876 N/A THR 175.A OG1 ASN 176.A OD1 no hydrogen 3.397 N/A PHE 177.A N SER 55.A OG no hydrogen 3.249 N/A ARG 180.A N ASP 178.A OD1 no hydrogen 3.296 N/A ARG 180.A NE ASP 178.A OD1 no hydrogen 3.127 N/A GLY 181.A N ASP 178.A O no hydrogen 3.049 N/A LEU 182.A N PRO 179.A O no hydrogen 3.161 N/A LEU 183.A N ARG 180.A O no hydrogen 3.336 N/A SER 186.A N GLU 212.A OE1 no hydrogen 2.604 N/A ASP 188.A N SER 186.A OG no hydrogen 3.166 N/A TYR 189.A N SER 257.A OG no hydrogen 2.860 N/A TRP 190.A N VAL 209.A O no hydrogen 3.002 N/A THR 191.A N LYS 255.A O no hydrogen 2.791 N/A THR 191.A OG1 TRP 207.A O no hydrogen 2.735 N/A TYR 192.A N TRP 207.A O no hydrogen 3.316 N/A TYR 192.A OH SER 28.A OG no hydrogen 2.893 N/A TYR 192.A OH HIS 106.A NE2 no hydrogen 2.961 N/A GLY 194.A N VAL 205.A O no hydrogen 2.772 N/A SER 195.A N SER 28.A OG no hydrogen 2.813 N/A SER 195.A OG LEU 196.A O no hydrogen 2.841 N/A LEU 196.A N LEU 202.A O no hydrogen 3.054 N/A THR 197.A OG1 GLU 105.A OE1 no hydrogen 2.599 N/A LEU 201.A N THR 198.A O no hydrogen 2.864 N/A CYS 204.A N LEU 202.A O no hydrogen 3.019 N/A CYS 204.A SG LEU 202.A O no hydrogen 3.719 N/A VAL 205.A N GLY 194.A O no hydrogen 3.393 N/A THR 206.A N LEU 139.A O no hydrogen 2.840 N/A TRP 207.A N TYR 192.A O no hydrogen 2.906 N/A TRP 207.A NE1 SER 195.A O no hydrogen 2.933 N/A ILE 208.A N VAL 141.A O no hydrogen 3.038 N/A VAL 209.A N TRP 190.A O no hydrogen 2.898 N/A LEU 210.A N GLY 143.A O no hydrogen 2.926 N/A LYS 211.A N ASP 188.A O no hydrogen 3.057 N/A ILE 214.A N PHE 145.A O no hydrogen 2.793 N/A VAL 216.A N LYS 147.A O no hydrogen 2.849 N/A SER 217.A N GLN 220.A OE1 no hydrogen 3.236 N/A GLN 220.A N SER 217.A O no hydrogen 3.077 N/A GLN 220.A N SER 217.A OG no hydrogen 3.310 N/A GLN 220.A NE2 LYS 152.A O no hydrogen 3.247 N/A GLN 220.A NE2 GLN 156.A OE1 no hydrogen 2.845 N/A VAL 221.A N SER 217.A O no hydrogen 3.244 N/A LEU 222.A N SER 218.A O no hydrogen 2.968 N/A LYS 223.A NZ ASP 163.A OD1 no hydrogen 3.014 N/A ARG 225.A N VAL 221.A O no hydrogen 3.352 N/A ARG 225.A NE GLY 97.A O no hydrogen 2.727 N/A ARG 225.A NH2 ASP 100.A OD1 no hydrogen 2.832 N/A LYS 226.A NZ LEU 222.A O no hydrogen 3.248 N/A LEU 227.A N PHE 224.A O no hydrogen 3.209 N/A ASN 228.A N LYS 166.A O no hydrogen 2.871 N/A PHE 229.A N GLU 237.A O no hydrogen 2.911 N/A ASN 230.A ND2 GLY 231.A O no hydrogen 2.697 N/A GLY 231.A N GLU 234.A OE1 no hydrogen 3.182 N/A GLU 234.A N GLY 231.A O no hydrogen 3.362 N/A GLU 237.A N ASN 230.A OD1 no hydrogen 2.707 N/A MET 239.A N LEU 227.A O no hydrogen 2.846 N/A VAL 240.A N LEU 238.A O no hydrogen 2.984 N/A ASN 242.A N TRP 96.A O no hydrogen 3.237 N/A ASN 242.A ND2 HIS 63.A O no hydrogen 3.125 N/A ARG 244.A N GLU 105.A OE2 no hydrogen 3.063 N/A ARG 244.A NH1 GLN 27.A OE1 no hydrogen 2.640 N/A ARG 244.A NH1 SER 28.A O no hydrogen 3.019 N/A ARG 244.A NH2 ALA 22.A O no hydrogen 3.357 N/A ARG 244.A NH2 GLN 27.A OE1 no hydrogen 3.253 N/A GLN 247.A N PRO 29.A O no hydrogen 2.772 N/A GLN 247.A NE2 PRO 245.A O no hydrogen 2.750 N/A ARG 252.A NE LEU 249.A O no hydrogen 2.821 N/A ARG 252.A NH1 GLN 27.A O no hydrogen 3.035 N/A ARG 252.A NH1 PRO 193.A O no hydrogen 3.029 N/A ARG 252.A NH2 GLN 27.A O no hydrogen 2.799 N/A ARG 252.A NH2 PRO 248.A O no hydrogen 3.050 N/A ARG 252.A NH2 LEU 249.A O no hydrogen 3.497 N/A LYS 255.A N THR 191.A O no hydrogen 2.950 N/A ALA 256.A N LYS 38.A O no hydrogen 3.017 N/A SER 257.A N TYR 189.A O no hydrogen 2.846 N/A SER 257.A OG TYR 189.A O no hydrogen 3.183 N/A