Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nuq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLN 78.A O no hydrogen 3.326 N/A ASP 9.A N TYR 5.A O no hydrogen 3.040 N/A LEU 10.A N THR 6.A O no hydrogen 3.053 N/A ALA 11.A N ALA 7.A O no hydrogen 3.090 N/A THR 12.A N SER 8.A O no hydrogen 2.890 N/A THR 12.A OG1 SER 8.A O no hydrogen 2.565 N/A TYR 13.A N ASP 9.A O no hydrogen 2.907 N/A GLN 14.A N LEU 10.A O no hydrogen 2.806 N/A ASN 15.A N ALA 11.A O no hydrogen 2.702 N/A GLU 16.A N THR 12.A O no hydrogen 2.869 N/A VAL 17.A N TYR 13.A O no hydrogen 2.929 N/A ASN 18.A N GLN 14.A O no hydrogen 2.787 N/A GLU 19.A N ASN 15.A O no hydrogen 3.023 N/A GLN 20.A N GLU 16.A O no hydrogen 2.902 N/A GLN 20.A NE2 ASN 24.A OD1 no hydrogen 2.972 N/A ILE 21.A N VAL 17.A O no hydrogen 2.853 N/A ALA 22.A N ASN 18.A O no hydrogen 2.963 N/A LYS 23.A N GLU 19.A O no hydrogen 3.006 N/A ASN 24.A N GLN 20.A O no hydrogen 2.830 N/A ASN 24.A ND2 ASP 123.A O no hydrogen 2.968 N/A ASN 24.A ND2 SER 124.A O no hydrogen 3.280 N/A LYS 25.A N ILE 21.A O no hydrogen 2.948 N/A LYS 25.A NZ GLU 29.A OE2 no hydrogen 2.590 N/A ALA 26.A N ALA 22.A O no hydrogen 2.917 N/A HIS 27.A N LYS 23.A O no hydrogen 2.912 N/A LEU 28.A N ASN 24.A O no hydrogen 3.183 N/A GLU 29.A N LYS 25.A O no hydrogen 2.974 N/A SER 30.A N ALA 26.A O no hydrogen 3.167 N/A SER 30.A N HIS 27.A O no hydrogen 3.032 N/A SER 30.A OG HIS 27.A O no hydrogen 2.629 N/A LEU 31.A N LEU 28.A O no hydrogen 3.059 N/A HIS 33.A ND1 PRO 34.A O no hydrogen 2.850 N/A SER 36.A N HIS 33.A O no hydrogen 3.059 N/A SER 36.A OG HIS 33.A O no hydrogen 2.675 N/A LYS 48.A N ASP 151.A OD2 no hydrogen 2.789 N/A LYS 48.A NZ ASN 46.A OD1 no hydrogen 2.933 N/A LYS 48.A NZ ASN 214.A OD1 no hydrogen 3.286 N/A VAL 49.A N ASN 214.A O no hydrogen 3.074 N/A PHE 50.A N LYS 152.A O no hydrogen 2.950 N/A PHE 51.A N TYR 216.A O no hydrogen 2.767 N/A PHE 52.A N TRP 154.A O no hydrogen 2.867 N/A ASP 53.A N ILE 218.A O no hydrogen 3.085 N/A ASN 56.A ND2 TYR 96.A O no hydrogen 2.920 N/A CYS 57.A N ILE 54.A O no hydrogen 3.021 N/A CYS 57.A SG.A ASP 53.A OD2 no hydrogen 3.178 N/A CYS 57.A SG.A ASP 55.A O no hydrogen 3.943 N/A CYS 57.A SG.A ASP 220.A OD1 no hydrogen 3.348 N/A CYS 57.A SG.B ASP 53.A O no hydrogen 3.422 N/A LEU 58.A N ILE 54.A O no hydrogen 2.865 N/A TYR 59.A OH ASP 55.A OD1 no hydrogen 2.531 N/A SER 61.A N GLU 241.A OE1 no hydrogen 2.795 N/A SER 61.A N GLU 241.A OE2 no hydrogen 3.319 N/A SER 61.A OG ASN 56.A OD1 no hydrogen 3.257 N/A ILE 65.A N SER 62.A OG no hydrogen 2.965 N/A HIS 66.A N SER 62.A O no hydrogen 2.998 N/A HIS 66.A ND1 ASP 67.A OD1 no hydrogen 2.906 N/A ASP 67.A N THR 63.A O no hydrogen 2.683 N/A LEU 68.A N ARG 64.A O no hydrogen 2.820 N/A MET 69.A N ILE 65.A O no hydrogen 2.706 N/A GLN 70.A N HIS 66.A O no hydrogen 2.803 N/A GLN 71.A N ASP 67.A O no hydrogen 3.003 N/A SER 72.A N LEU 68.A O no hydrogen 2.987 N/A SER 72.A OG.A LEU 120.A O no hydrogen 3.477 N/A SER 72.A OG.A VAL 121.A O no hydrogen 2.859 N/A SER 72.A OG.B LEU 68.A O no hydrogen 3.339 N/A ILE 73.A N MET 69.A O no hydrogen 2.819 N/A LEU 74.A N GLN 70.A O no hydrogen 2.775 N/A ARG 75.A N GLN 71.A O no hydrogen 3.038 N/A ARG 75.A NH1 GLU 16.A OE1 no hydrogen 2.923 N/A ARG 75.A NH2 GLU 16.A OE2 no hydrogen 2.144 N/A PHE 76.A N SER 72.A O no hydrogen 2.995 N/A PHE 77.A N ILE 73.A O no hydrogen 2.693 N/A GLN 78.A N LEU 74.A O no hydrogen 3.032 N/A THR 79.A N PHE 76.A O no hydrogen 3.072 N/A THR 79.A OG1 ARG 75.A O no hydrogen 2.973 N/A THR 79.A OG1 PHE 76.A O no hydrogen 3.054 N/A THR 79.A OG1 HIS 80.A ND1 no hydrogen 3.028 N/A HIS 80.A N PHE 77.A O no hydrogen 3.349 N/A HIS 80.A ND1 PHE 76.A O no hydrogen 2.730 N/A HIS 80.A NE2 GLU 116.A OE2 no hydrogen 2.598 N/A LYS 82.A NZ HIS 110.A O no hydrogen 3.530 N/A LEU 83.A N HIS 80.A O no hydrogen 3.421 N/A SER 84.A N ASP 87.A OD2 no hydrogen 2.901 N/A ASP 87.A N SER 84.A OG no hydrogen 2.997 N/A ALA 88.A N SER 84.A O no hydrogen 3.092 N/A HIS 89.A N PRO 85.A O no hydrogen 2.841 N/A VAL 90.A N GLU 86.A O no hydrogen 2.867 N/A LEU 91.A N ASP 87.A O no hydrogen 2.940 N/A ASN 92.A N ALA 88.A O no hydrogen 2.854 N/A ASN 93.A N HIS 89.A O no hydrogen 3.254 N/A ASN 93.A N VAL 90.A O no hydrogen 3.040 N/A ASN 93.A ND2 HIS 89.A NE2 no hydrogen 3.362 N/A SER 94.A N LEU 91.A O no hydrogen 3.128 N/A SER 94.A OG VAL 90.A O no hydrogen 2.836 N/A TYR 95.A N LEU 91.A O no hydrogen 2.819 N/A TYR 95.A OH ASP 122.A OD2 no hydrogen 2.738 N/A TYR 95.A OH TYR 185.A OH no hydrogen 2.863 N/A LYS 97.A N SER 94.A O no hydrogen 3.052 N/A GLU 98.A N.A SER 94.A O no hydrogen 2.765 N/A GLU 98.A N.B SER 94.A O no hydrogen 2.762 N/A TYR 99.A N TYR 95.A O no hydrogen 2.816 N/A GLY 100.A N ASN 158.A O no hydrogen 2.828 N/A LEU 101.A N GLU 98.A O.A no hydrogen 3.053 N/A LEU 101.A N GLU 98.A O.B no hydrogen 3.044 N/A ALA 102.A N TYR 99.A O no hydrogen 2.860 N/A ILE 103.A N GLY 100.A O no hydrogen 3.205 N/A ARG 104.A N LEU 101.A O no hydrogen 3.308 N/A ARG 104.A NE LEU 191.A O no hydrogen 2.831 N/A VAL 107.A N ILE 103.A O no hydrogen 2.818 N/A MET 108.A N ARG 104.A O no hydrogen 2.912 N/A PHE 109.A N GLY 105.A O no hydrogen 3.057 N/A HIS 110.A N VAL 107.A O no hydrogen 2.979 N/A HIS 110.A NE2 ASP 189.A OD2 no hydrogen 2.803 N/A LYS 111.A N.A LEU 106.A O no hydrogen 2.783 N/A LYS 111.A N.B LEU 106.A O no hydrogen 2.806 N/A LYS 111.A NZ.A ASP 87.A OD2 no hydrogen 2.776 N/A VAL 112.A N LEU 106.A O no hydrogen 3.276 N/A GLU 116.A N ASN 113.A OD1 no hydrogen 2.909 N/A TYR 117.A N ASN 113.A O no hydrogen 2.904 N/A ASN 118.A N ALA 114.A O no hydrogen 2.851 N/A ARG 119.A N LEU 115.A O no hydrogen 2.987 N/A ARG 119.A NH2 ASN 18.A OD1 no hydrogen 2.869 N/A LEU 120.A N GLU 116.A O no hydrogen 2.946 N/A VAL 121.A N TYR 117.A O no hydrogen 2.865 N/A ASP 122.A N ASN 118.A O no hydrogen 2.979 N/A ASP 123.A N ASN 118.A O no hydrogen 2.765 N/A SER 124.A N ARG 119.A O no hydrogen 3.219 N/A SER 124.A OG LEU 120.A O no hydrogen 2.603 N/A LEU 125.A N ASP 122.A O no hydrogen 2.961 N/A LEU 127.A N LEU 125.A O no hydrogen 2.874 N/A GLN 128.A N GLN 128.A OE1 no hydrogen 2.815 N/A GLN 128.A NE2 ASN 24.A OD1 no hydrogen 3.000 N/A ASP 129.A N PRO 126.A O no hydrogen 2.853 N/A ILE 130.A N LEU 127.A O no hydrogen 2.990 N/A LEU 131.A N LEU 127.A O no hydrogen 2.843 N/A LYS 132.A NZ.B ASP 129.A O no hydrogen 3.569 N/A ASP 134.A N LEU 171.A O no hydrogen 3.122 N/A LEU 137.A N ASP 134.A OD1 no hydrogen 3.090 N/A ARG 138.A N ASP 134.A O no hydrogen 2.947 N/A ARG 138.A NH1 GLY 172.A O no hydrogen 2.967 N/A ARG 138.A NH1 ASP 175.A OD1 no hydrogen 2.678 N/A ARG 138.A NH2 ASP 175.A OD1 no hydrogen 3.414 N/A ARG 138.A NH2 ASP 175.A OD2 no hydrogen 2.895 N/A ASN 139.A N ILE 135.A O no hydrogen 2.871 N/A MET 140.A N PRO 136.A O no hydrogen 2.947 N/A LEU 141.A N LEU 137.A O no hydrogen 2.892 N/A LEU 142.A N ARG 138.A O no hydrogen 2.847 N/A ARG 143.A N ASN 139.A O no hydrogen 2.957 N/A LEU 144.A N MET 140.A O no hydrogen 3.052 N/A ARG 145.A N LEU 141.A O no hydrogen 2.859 N/A ARG 145.A NH1 LEU 176.A O no hydrogen 2.882 N/A ARG 145.A NH1 ASP 178.A OD1 no hydrogen 3.547 N/A ARG 145.A NH1 ASP 178.A OD2 no hydrogen 2.841 N/A ARG 145.A NH2 ASP 178.A OD1 no hydrogen 2.946 N/A GLN 146.A N LEU 142.A O no hydrogen 2.969 N/A SER 147.A N LEU 144.A O no hydrogen 3.310 N/A SER 147.A OG LEU 144.A O no hydrogen 3.189 N/A SER 147.A OG LEU 267.A O no hydrogen 2.758 N/A LYS 149.A N SER 147.A OG no hydrogen 3.269 N/A ASP 151.A N LYS 48.A O no hydrogen 2.879 N/A LYS 152.A N LYS 48.A O no hydrogen 3.179 N/A LYS 152.A NZ SER 207.A O no hydrogen 2.734 N/A LEU 153.A N.A ASP 178.A OD2 no hydrogen 2.886 N/A LEU 153.A N.B ASP 178.A OD2 no hydrogen 2.884 N/A TRP 154.A N PHE 50.A O no hydrogen 2.891 N/A TRP 154.A NE1 THR 181.A OG1 no hydrogen 2.923 N/A LEU 155.A N GLY 179.A O no hydrogen 2.965 N/A PHE 156.A N PHE 52.A O no hydrogen 2.807 N/A THR 157.A N THR 181.A O no hydrogen 2.899 N/A ASN 158.A ND2 GLU 98.A O.A no hydrogen 3.250 N/A ASN 158.A ND2 GLU 98.A O.B no hydrogen 3.247 N/A ASN 158.A ND2 LYS 194.A O no hydrogen 2.974 N/A ALA 159.A N THR 157.A OG1 no hydrogen 3.069 N/A TYR 160.A OH SER 186.A OG.B no hydrogen 2.590 N/A LYS 161.A NZ ASP 43.A OD2 no hydrogen 2.985 N/A HIS 163.A ND1 ASP 122.A OD1 no hydrogen 2.645 N/A HIS 163.A NE2 ASP 55.A OD1 no hydrogen 2.628 N/A ALA 164.A N TYR 160.A O no hydrogen 3.149 N/A ILE 165.A N LYS 161.A O no hydrogen 2.804 N/A ARG 166.A N ASN 162.A O no hydrogen 2.878 N/A ARG 166.A NH1 LEU 125.A O no hydrogen 2.843 N/A ARG 166.A NH2 LEU 125.A O no hydrogen 2.801 N/A CYS 167.A N HIS 163.A O no hydrogen 3.019 N/A CYS 167.A SG HIS 163.A NE2 no hydrogen 3.618 N/A CYS 167.A SG HIS 163.A O no hydrogen 3.393 N/A LEU 168.A N ALA 164.A O no hydrogen 3.111 N/A ARG 169.A N ILE 165.A O no hydrogen 3.001 N/A ARG 169.A NE SER 36.A O no hydrogen 2.788 N/A ARG 169.A NH1 SER 36.A O no hydrogen 3.451 N/A LEU 170.A N ARG 166.A O no hydrogen 2.907 N/A LEU 171.A N CYS 167.A O no hydrogen 2.995 N/A GLY 172.A N ARG 169.A O no hydrogen 3.085 N/A ILE 173.A N LEU 168.A O no hydrogen 3.030 N/A ALA 174.A N GLY 35.A O no hydrogen 3.036 N/A LEU 176.A N ILE 173.A O no hydrogen 3.141 N/A ASP 178.A N LEU 153.A O.A no hydrogen 2.804 N/A ASP 178.A N LEU 153.A O.B no hydrogen 2.824 N/A THR 181.A N LEU 155.A O no hydrogen 2.799 N/A THR 181.A OG1 GLU 206.A OE1 no hydrogen 2.739 N/A TYR 182.A OH ASP 43.A OD1 no hydrogen 2.539 N/A TYR 182.A OH ASP 43.A OD2 no hydrogen 3.311 N/A CYS 183.A N ALA 159.A O no hydrogen 2.998 N/A CYS 183.A SG VAL 192.A O no hydrogen 3.443 N/A TYR 185.A OH TYR 95.A OH no hydrogen 2.863 N/A SER 186.A N ASP 184.A OD1 no hydrogen 2.948 N/A SER 186.A OG.A ASP 184.A OD1 no hydrogen 2.585 N/A SER 186.A OG.A ASP 184.A OD2 no hydrogen 3.266 N/A SER 186.A OG.B ASP 184.A OD1 no hydrogen 3.032 N/A THR 188.A OG1 THR 190.A O no hydrogen 3.486 N/A THR 190.A N THR 188.A OG1 no hydrogen 2.986 N/A THR 190.A OG1 ASP 189.A OD1 no hydrogen 3.208 N/A CYS 193.A SG.A LYS 194.A O no hydrogen 3.992 N/A LYS 194.A N ASN 158.A OD1 no hydrogen 2.753 N/A LYS 194.A NZ ASP 53.A OD1 no hydrogen 3.115 N/A LYS 194.A NZ PHE 156.A O no hydrogen 2.695 N/A LYS 194.A NZ ASP 219.A OD2 no hydrogen 2.807 N/A HIS 196.A N CYS 193.A O no hydrogen 2.961 N/A LYS 198.A NZ GLU 201.A OE1.A no hydrogen 3.254 N/A LYS 198.A NZ GLU 201.A OE1.B no hydrogen 3.320 N/A LYS 198.A NZ GLU 201.A OE2.B no hydrogen 3.505 N/A ALA 199.A N HIS 196.A O no hydrogen 3.030 N/A GLU 201.A N.A VAL 197.A O no hydrogen 2.971 N/A GLU 201.A N.B VAL 197.A O no hydrogen 2.932 N/A LYS 202.A N LYS 198.A O no hydrogen 3.011 N/A LYS 202.A NZ TYR 182.A O no hydrogen 3.042 N/A ALA 203.A N ALA 199.A O no hydrogen 3.031 N/A MET 204.A N PHE 200.A O no hydrogen 2.886 N/A LYS 205.A N GLU 201.A O.A no hydrogen 2.965 N/A LYS 205.A N GLU 201.A O.B no hydrogen 2.936 N/A GLU 206.A N LYS 202.A O no hydrogen 2.850 N/A SER 207.A N ALA 203.A O no hydrogen 2.992 N/A SER 207.A OG ALA 203.A O no hydrogen 2.867 N/A SER 207.A OG MET 204.A O no hydrogen 3.112 N/A GLY 208.A N MET 204.A O no hydrogen 3.038 N/A LEU 209.A N MET 204.A O no hydrogen 3.154 N/A LEU 209.A N SER 207.A OG no hydrogen 3.321 N/A ASN 214.A N ARG 211.A O no hydrogen 3.074 N/A ASN 214.A ND2 LEU 47.A O no hydrogen 3.606 N/A ALA 215.A N TYR 212.A O no hydrogen 2.873 N/A TYR 216.A N VAL 49.A O no hydrogen 2.905 N/A PHE 217.A N THR 235.A O no hydrogen 3.072 N/A ILE 218.A N PHE 51.A O no hydrogen 3.113 N/A ASP 219.A N ILE 237.A O no hydrogen 3.097 N/A SER 221.A N ASP 219.A OD1 no hydrogen 2.835 N/A LYS 223.A NZ GLU 226.A OE1 no hydrogen 2.946 N/A ASN 224.A N SER 221.A OG no hydrogen 3.222 N/A ASN 224.A ND2 ASP 219.A OD1 no hydrogen 3.436 N/A ASN 224.A ND2 ASP 219.A OD2 no hydrogen 3.042 N/A ILE 225.A N SER 221.A O no hydrogen 2.998 N/A GLU 226.A N GLY 222.A O no hydrogen 2.885 N/A THR 227.A N LYS 223.A O no hydrogen 3.076 N/A THR 227.A OG1 PRO 195.A O no hydrogen 2.730 N/A THR 227.A OG1 LYS 223.A O no hydrogen 3.382 N/A GLY 228.A N ASN 224.A O no hydrogen 3.125 N/A ILE 229.A N ILE 225.A O no hydrogen 2.946 N/A LYS 230.A N GLU 226.A O no hydrogen 2.955 N/A LEU 231.A N THR 227.A O no hydrogen 2.925 N/A GLY 232.A N ILE 229.A O no hydrogen 2.983 N/A MET 233.A N GLY 228.A O no hydrogen 3.067 N/A LYS 234.A N ALA 215.A O no hydrogen 2.884 N/A ILE 237.A N PHE 217.A O no hydrogen 2.731 N/A HIS 238.A N ILE 252.A O no hydrogen 2.678 N/A HIS 238.A ND1 THR 247.A OG1 no hydrogen 2.765 N/A HIS 238.A NE2 ASP 220.A O no hydrogen 3.017 N/A LEU 239.A N.A ASP 219.A O no hydrogen 2.924 N/A LEU 239.A N.B ASP 219.A O no hydrogen 2.915 N/A VAL 240.A N ILE 254.A O no hydrogen 2.756 N/A THR 247.A OG1 HIS 238.A ND1 no hydrogen 2.765 N/A ALA 251.A N PRO 248.A O no hydrogen 3.183 N/A ILE 252.A N CYS 236.A O no hydrogen 2.974 N/A ILE 254.A N HIS 238.A O no hydrogen 3.122 N/A SER 255.A N GLU 259.A OE1 no hydrogen 3.015 N/A SER 255.A OG GLU 259.A OE2 no hydrogen 2.935 N/A LEU 258.A N ASP 256.A OD1 no hydrogen 2.841 N/A GLU 259.A N ASP 256.A O no hydrogen 2.857 N/A LEU 260.A N ILE 257.A O no hydrogen 3.041 N/A HIS 262.A N GLU 259.A O no hydrogen 2.819 N/A VAL 263.A N LEU 260.A O no hydrogen 3.060 N/A VAL 264.A N LEU 260.A O no hydrogen 3.096 N/A LEU 267.A N VAL 264.A O no hydrogen 2.972 N/A PHE 268.A N SER 265.A O no hydrogen 2.962 N/A