Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3g3m_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N TYR 251.A OH no hydrogen 2.905 N/A GLY 6.A N GLN 26.A OE1.A no hydrogen 2.981 N/A ALA 7.A N SER 4.A OG no hydrogen 3.052 N/A ARG 8.A N SER 4.A O no hydrogen 2.914 N/A ARG 8.A NE PRO 187.A O no hydrogen 2.870 N/A ARG 8.A NH1 PRO 187.A O no hydrogen 3.167 N/A ARG 8.A NH1 ASP 222.A OD2 no hydrogen 2.985 N/A ARG 8.A NH2 ASP 222.A OD1 no hydrogen 2.826 N/A ALA 9.A N PHE 5.A O no hydrogen 2.989 N/A GLU 10.A N ALA 7.A O no hydrogen 2.921 N/A LEU 11.A N ARG 8.A O no hydrogen 3.062 N/A ILE 14.A N LEU 11.A O no hydrogen 3.073 N/A VAL 17.A N HIS 15.A ND1 no hydrogen 3.054 N/A SER 19.A N.A HIS 15.A O no hydrogen 2.906 N/A SER 19.A N.B HIS 15.A O no hydrogen 2.895 N/A SER 19.A OG.A ALA 9.A O no hydrogen 2.787 N/A SER 19.A OG.B ALA 9.A O no hydrogen 3.049 N/A SER 19.A OG.B HIS 15.A O no hydrogen 3.251 N/A LYS 20.A N PRO 16.A O no hydrogen 3.013 N/A LEU 21.A N VAL 17.A O no hydrogen 3.060 N/A LEU 22.A N ALA 18.A O no hydrogen 2.817 N/A ARG 23.A N SER 19.A O.A no hydrogen 2.982 N/A ARG 23.A N SER 19.A O.B no hydrogen 2.908 N/A LEU 24.A N LYS 20.A O no hydrogen 3.128 N/A MET 25.A N LEU 21.A O no hydrogen 2.885 N/A GLN 26.A N.A LEU 22.A O no hydrogen 3.108 N/A GLN 26.A N.B LEU 22.A O no hydrogen 3.141 N/A GLN 26.A NE2.B SER 4.A OG no hydrogen 3.393 N/A LYS 27.A N ARG 23.A O no hydrogen 2.938 N/A LYS 27.A NZ GLU 83.A OE1 no hydrogen 3.384 N/A LYS 27.A NZ GLU 83.A OE2 no hydrogen 2.726 N/A LYS 28.A N LEU 24.A O no hydrogen 2.920 N/A LYS 28.A NZ GLY 52.A O no hydrogen 2.778 N/A LYS 28.A NZ ILE 55.A O no hydrogen 2.746 N/A LYS 28.A NZ HIS 82.A O no hydrogen 2.783 N/A LYS 28.A NZ GLU 83.A O no hydrogen 2.852 N/A GLU 29.A N.A GLN 26.A O.A no hydrogen 3.381 N/A GLU 29.A N.B GLN 26.A O.A no hydrogen 3.371 N/A THR 30.A N MET 25.A O no hydrogen 3.125 N/A THR 30.A OG1 SER 54.A O no hydrogen 2.726 N/A ASN 31.A ND2 ASP 222.A O no hydrogen 2.862 N/A ASN 31.A ND2 ALA 247.A O no hydrogen 3.254 N/A LEU 32.A N THR 30.A OG1 no hydrogen 3.175 N/A CYS 33.A N ILE 224.A O no hydrogen 2.809 N/A CYS 33.A SG LEU 34.A O no hydrogen 3.984 N/A CYS 33.A SG MET 57.A O no hydrogen 3.841 N/A LEU 34.A N MET 57.A O no hydrogen 2.993 N/A SER 35.A N VAL 226.A O no hydrogen 2.819 N/A SER 35.A OG ASP 37.A OD2 no hydrogen 2.741 N/A ALA 36.A N LYS 59.A O no hydrogen 2.945 N/A ASP 37.A N SER 35.A O no hydrogen 2.811 N/A VAL 38.A N ALA 36.A O no hydrogen 3.003 N/A ALA 41.A N ASP 67.A OD1 no hydrogen 2.862 N/A LEU 44.A N LEU 40.A O.A no hydrogen 3.025 N/A LEU 44.A N LEU 40.A O.B no hydrogen 2.968 N/A LEU 45.A N ALA 41.A O no hydrogen 2.897 N/A GLN 46.A N ARG 42.A O.A no hydrogen 2.799 N/A GLN 46.A N ARG 42.A O.B no hydrogen 3.017 N/A LEU 47.A N GLU 43.A O no hydrogen 2.897 N/A ALA 48.A N LEU 44.A O no hydrogen 2.901 N/A ASP 49.A N LEU 45.A O no hydrogen 2.975 N/A ALA 50.A N GLN 46.A O no hydrogen 3.099 N/A LEU 51.A N LEU 47.A O no hydrogen 2.841 N/A SER 54.A N LEU 51.A O no hydrogen 2.816 N/A SER 54.A OG GLU 241.A OE2 no hydrogen 2.688 N/A ILE 55.A N GLY 52.A O no hydrogen 3.294 N/A CYS 56.A N LEU 32.A O no hydrogen 2.900 N/A CYS 56.A SG LEU 32.A O no hydrogen 3.536 N/A LEU 58.A N LEU 85.A O no hydrogen 2.851 N/A LYS 59.A N LEU 34.A O no hydrogen 2.764 N/A LYS 59.A NZ SER 35.A OG no hydrogen 2.950 N/A LYS 59.A NZ ASP 89.A OD2 no hydrogen 2.647 N/A THR 60.A N PHE 87.A O no hydrogen 2.802 N/A THR 60.A OG1 PHE 87.A O no hydrogen 3.488 N/A THR 60.A OG1 GLU 88.A OE1 no hydrogen 2.732 N/A VAL 62.A N.A GLU 88.A OE1 no hydrogen 2.883 N/A VAL 62.A N.B GLU 88.A OE1 no hydrogen 2.815 N/A ILE 64.A N.A HIS 61.A O no hydrogen 3.049 N/A ILE 64.A N.B HIS 61.A O no hydrogen 3.059 N/A LEU 65.A N.A VAL 62.A O.A no hydrogen 2.908 N/A LEU 65.A N.A VAL 62.A O.B no hydrogen 3.289 N/A LEU 65.A N.B VAL 62.A O.A no hydrogen 2.990 N/A LEU 65.A N.B VAL 62.A O.B no hydrogen 3.374 N/A ASN 66.A N SER 39.A O.A no hydrogen 2.771 N/A ASN 66.A N SER 39.A O.B no hydrogen 2.875 N/A PHE 68.A N LEU 65.A O.B no hydrogen 3.212 N/A VAL 72.A N THR 69.A OG1 no hydrogen 3.162 N/A LYS 74.A N.A LEU 70.A O no hydrogen 2.975 N/A LYS 74.A N.B LEU 70.A O no hydrogen 3.010 N/A LYS 74.A NZ.A ASP 71.A OD1.B no hydrogen 2.063 N/A GLU 75.A N.A ASP 71.A O.A no hydrogen 3.191 N/A GLU 75.A N.A ASP 71.A O.B no hydrogen 2.984 N/A GLU 75.A N.B ASP 71.A O.A no hydrogen 3.190 N/A GLU 75.A N.B ASP 71.A O.B no hydrogen 2.998 N/A LEU 76.A N VAL 72.A O no hydrogen 2.956 N/A ILE 77.A N MET 73.A O no hydrogen 2.871 N/A THR 78.A N LYS 74.A O.A no hydrogen 3.041 N/A THR 78.A N LYS 74.A O.B no hydrogen 2.987 N/A THR 78.A OG1 LYS 74.A O.A no hydrogen 3.240 N/A THR 78.A OG1 LYS 74.A O.B no hydrogen 3.195 N/A LEU 79.A N GLU 75.A O.A no hydrogen 3.245 N/A LEU 79.A N GLU 75.A O.B no hydrogen 3.009 N/A ALA 80.A N LEU 76.A O no hydrogen 2.868 N/A LYS 81.A N ILE 77.A O no hydrogen 2.896 N/A HIS 82.A NE2 ASP 49.A OD1 no hydrogen 2.809 N/A PHE 84.A N ALA 80.A O no hydrogen 2.980 N/A LEU 85.A N CYS 56.A O no hydrogen 3.031 N/A ILE 86.A N ASP 115.A OD2 no hydrogen 2.849 N/A PHE 87.A N LEU 58.A O no hydrogen 2.937 N/A GLU 88.A N LEU 116.A O no hydrogen 2.927 N/A ASP 89.A N THR 60.A O no hydrogen 2.875 N/A ARG 90.A NH2 ARG 90.A O no hydrogen 2.897 N/A LYS 91.A N ASN 118.A OD1 no hydrogen 2.885 N/A LYS 91.A NZ ASP 89.A OD2 no hydrogen 3.378 N/A PHE 92.A N ASN 118.A O no hydrogen 3.110 N/A ILE 95.A N ASP 94.A OD1 no hydrogen 2.664 N/A THR 98.A N ILE 95.A O no hydrogen 3.031 N/A VAL 99.A N ILE 95.A O no hydrogen 3.001 N/A LYS 100.A N.A GLY 96.A O no hydrogen 3.096 N/A LYS 100.A N.B GLY 96.A O no hydrogen 3.221 N/A LYS 100.A NZ.A ASN 97.A O no hydrogen 3.205 N/A LYS 100.A NZ.B ASN 97.A O no hydrogen 2.838 N/A LYS 100.A NZ.B ASN 97.A OD1 no hydrogen 3.045 N/A GLN 102.A N THR 98.A O no hydrogen 3.023 N/A TYR 103.A N VAL 99.A O no hydrogen 2.912 N/A GLU 104.A N LYS 100.A O.A no hydrogen 3.165 N/A GLU 104.A N LYS 100.A O.B no hydrogen 2.882 N/A GLY 105.A N LYS 101.A O.A no hydrogen 2.841 N/A GLY 105.A N LYS 101.A O.B no hydrogen 2.806 N/A LYS 109.A N GLY 105.A O no hydrogen 3.175 N/A ALA 111.A N TYR 103.A O no hydrogen 2.962 N/A SER 112.A N.A LYS 109.A O no hydrogen 2.890 N/A SER 112.A N.B LYS 109.A O no hydrogen 2.901 N/A SER 112.A OG.A LYS 109.A O no hydrogen 2.677 N/A TRP 113.A N ILE 110.A O no hydrogen 3.067 N/A TRP 113.A NE1 PHE 108.A O no hydrogen 2.830 N/A ALA 114.A N ILE 110.A O no hydrogen 2.935 N/A LEU 116.A N ILE 86.A O no hydrogen 3.096 N/A VAL 117.A N GLY 141.A O no hydrogen 3.252 N/A ASN 118.A ND2 ASP 89.A OD1 no hydrogen 2.734 N/A ALA 119.A N LEU 143.A O no hydrogen 2.916 N/A HIS 120.A N PHE 92.A O no hydrogen 2.827 N/A GLY 124.A N VAL 121.A O no hydrogen 2.909 N/A VAL 127.A N GLY 124.A O no hydrogen 3.112 N/A LYS 129.A N.A SER 125.A O no hydrogen 2.980 N/A LYS 129.A N.B SER 125.A O no hydrogen 3.005 N/A LYS 129.A N.C SER 125.A O no hydrogen 3.011 N/A LYS 129.A NZ.A GLU 133.A OE2.B no hydrogen 3.509 N/A LYS 129.A NZ.B HIS 170.A NE2 no hydrogen 2.981 N/A GLY 130.A N GLY 126.A O no hydrogen 2.896 N/A LEU 131.A N VAL 127.A O no hydrogen 3.209 N/A GLN 132.A N VAL 128.A O no hydrogen 2.835 N/A GLU 133.A N.A LYS 129.A O.A no hydrogen 3.294 N/A GLU 133.A N.A LYS 129.A O.B no hydrogen 3.398 N/A GLU 133.A N.A LYS 129.A O.C no hydrogen 3.145 N/A GLU 133.A N.B LYS 129.A O.A no hydrogen 3.316 N/A GLU 133.A N.B LYS 129.A O.C no hydrogen 3.166 N/A VAL 134.A N LEU 131.A O no hydrogen 3.118 N/A GLY 135.A N LEU 131.A O no hydrogen 2.771 N/A LEU 136.A N GLN 132.A O no hydrogen 2.863 N/A HIS 139.A N.A LEU 136.A O no hydrogen 2.947 N/A HIS 139.A N.B LEU 136.A O no hydrogen 2.953 N/A HIS 139.A ND1.A PRO 137.A O no hydrogen 3.222 N/A ARG 140.A N GLY 135.A O no hydrogen 2.916 N/A ARG 140.A NE ALA 111.A O no hydrogen 2.984 N/A ARG 140.A NH1 ALA 111.A O no hydrogen 2.934 N/A GLY 141.A N ASP 115.A O no hydrogen 3.027 N/A CYS 142.A N PHE 173.A O no hydrogen 2.946 N/A CYS 142.A SG VAL 117.A O no hydrogen 3.868 N/A CYS 142.A SG LEU 143.A O no hydrogen 3.684 N/A LEU 143.A N VAL 117.A O no hydrogen 2.823 N/A LEU 144.A N GLY 176.A O no hydrogen 2.955 N/A ILE 145.A N ALA 119.A O no hydrogen 2.894 N/A ALA 146.A N ILE 178.A O no hydrogen 2.915 N/A GLU 147.A N ILE 178.A O no hydrogen 3.338 N/A SER 149.A OG GLN 207.A OE1 no hydrogen 2.672 N/A THR 151.A N GLY 206.A O no hydrogen 2.770 N/A THR 151.A OG1 GLY 206.A O no hydrogen 3.353 N/A SER 153.A N SER 150.A O no hydrogen 3.151 N/A ALA 155.A N SER 153.A OG no hydrogen 3.093 N/A THR 156.A N LEU 154.A O no hydrogen 2.960 N/A TYR 159.A N THR 156.A O no hydrogen 3.042 N/A THR 160.A N THR 156.A O no hydrogen 3.456 N/A THR 160.A OG1 ALA 146.A O no hydrogen 2.848 N/A ARG 161.A N GLY 157.A O no hydrogen 3.086 N/A ARG 161.A NE ASP 158.A OD1 no hydrogen 3.270 N/A ARG 161.A NH1 ASP 158.A OD1 no hydrogen 2.614 N/A ALA 162.A N ASP 158.A O no hydrogen 2.903 N/A ALA 163.A N TYR 159.A O no hydrogen 3.088 N/A VAL 164.A N THR 160.A O no hydrogen 3.148 N/A ARG 165.A N ARG 161.A O no hydrogen 3.037 N/A MET 166.A N.A ALA 162.A O no hydrogen 2.911 N/A MET 166.A N.B ALA 162.A O no hydrogen 2.907 N/A ALA 167.A N ALA 163.A O no hydrogen 2.946 N/A GLU 168.A N.A VAL 164.A O no hydrogen 2.963 N/A GLU 168.A N.B VAL 164.A O no hydrogen 2.961 N/A GLU 169.A N ARG 165.A O no hydrogen 3.024 N/A GLU 169.A N MET 166.A O.B no hydrogen 3.322 N/A HIS 170.A N ALA 167.A O no hydrogen 3.036 N/A HIS 170.A ND1 MET 166.A O.A no hydrogen 2.859 N/A HIS 170.A ND1 MET 166.A O.B no hydrogen 2.896 N/A GLU 172.A N.A GLU 172.A OE1.A no hydrogen 2.722 N/A GLU 172.A N.B GLU 172.A OE2.B no hydrogen 2.866 N/A PHE 173.A N HIS 170.A O no hydrogen 3.055 N/A VAL 174.A N HIS 170.A O no hydrogen 2.878 N/A VAL 175.A N CYS 142.A O no hydrogen 2.849 N/A PHE 177.A N LEU 190.A O no hydrogen 2.806 N/A ILE 178.A N LEU 144.A O no hydrogen 2.912 N/A SER 179.A N LEU 192.A O no hydrogen 3.013 N/A SER 179.A OG SER 181.A O.A no hydrogen 2.860 N/A SER 179.A OG SER 181.A O.B no hydrogen 2.605 N/A GLY 180.A N GLU 147.A OE1 no hydrogen 2.728 N/A SER 181.A OG.B GLU 147.A OE1 no hydrogen 3.291 N/A SER 181.A OG.B ARG 182.A O no hydrogen 3.542 N/A ARG 182.A N ARG 219.A O no hydrogen 2.869 N/A ARG 182.A NE GLY 220.A O no hydrogen 3.168 N/A ARG 182.A NH1 GLU 2.A OE1 no hydrogen 3.439 N/A ARG 182.A NH1 GLU 2.A OE2 no hydrogen 3.144 N/A ARG 182.A NH1 GLY 220.A O no hydrogen 3.234 N/A VAL 183.A N HIS 191.A NE2 no hydrogen 3.060 N/A SER 184.A N HIS 191.A NE2 no hydrogen 3.226 N/A SER 184.A OG GLU 168.A OE2.B no hydrogen 2.755 N/A LYS 186.A N SER 184.A OG no hydrogen 3.087 N/A GLU 188.A N.B GLU 188.A OE2.B no hydrogen 2.820 N/A PHE 189.A N LYS 186.A O no hydrogen 3.186 N/A LEU 190.A N VAL 175.A O no hydrogen 2.961 N/A HIS 191.A N ASP 222.A OD2 no hydrogen 2.868 N/A LEU 192.A N PHE 177.A O no hydrogen 2.926 N/A THR 193.A N ILE 223.A O no hydrogen 2.858 N/A THR 193.A OG1 SER 179.A O no hydrogen 2.679 N/A THR 193.A OG1 SER 221.A OG.A no hydrogen 2.767 N/A THR 193.A OG1 SER 221.A OG.B no hydrogen 2.751 N/A GLN 197.A N.A ASN 210.A O no hydrogen 3.059 N/A GLN 197.A N.B ASN 210.A O no hydrogen 3.092 N/A LEU 198.A N TYR 243.A OH no hydrogen 2.963 N/A ASP 203.A N GLN 207.A O no hydrogen 3.122 N/A LEU 205.A N ASP 203.A OD1 no hydrogen 2.809 N/A GLN 207.A N ASP 203.A OD1 no hydrogen 2.844 N/A GLN 208.A N GLN 207.A OE1 no hydrogen 3.131 N/A TYR 209.A N GLY 201.A O no hydrogen 3.062 N/A ASN 210.A N GLY 195.A O no hydrogen 2.920 N/A GLU 214.A N SER 211.A OG no hydrogen 3.156 N/A VAL 215.A N SER 211.A O no hydrogen 2.920 N/A ILE 216.A N PRO 212.A O no hydrogen 2.874 N/A GLY 217.A N GLN 213.A O no hydrogen 2.857 N/A LYS 218.A N GLN 213.A O no hydrogen 3.258 N/A LYS 218.A N GLU 214.A O no hydrogen 3.144 N/A ARG 219.A N GLU 214.A O no hydrogen 2.872 N/A ARG 219.A NE GLU 214.A OE2 no hydrogen 2.743 N/A SER 221.A N.A VAL 215.A O no hydrogen 3.055 N/A SER 221.A N.B VAL 215.A O no hydrogen 3.043 N/A SER 221.A OG.A HIS 191.A O no hydrogen 2.975 N/A SER 221.A OG.A THR 193.A OG1 no hydrogen 2.767 N/A SER 221.A OG.B THR 193.A OG1 no hydrogen 2.751 N/A SER 221.A OG.B VAL 215.A O no hydrogen 3.501 N/A ASP 222.A N HIS 191.A O no hydrogen 2.987 N/A ILE 223.A N HIS 191.A O no hydrogen 3.029 N/A ILE 224.A N ASN 31.A O no hydrogen 3.041 N/A ILE 225.A N THR 193.A O no hydrogen 2.848 N/A VAL 226.A N CYS 33.A O no hydrogen 3.017 N/A ARG 228.A NH1 ASP 203.A OD2 no hydrogen 3.007 N/A ARG 228.A NH2 ASP 203.A OD2 no hydrogen 2.867 N/A ILE 230.A N GLY 227.A O no hydrogen 2.861 N/A ILE 231.A N GLY 227.A O no hydrogen 2.818 N/A SER 232.A N ARG 228.A O no hydrogen 3.010 N/A ALA 233.A N ILE 230.A O no hydrogen 3.020 N/A ARG 236.A NH1 GLU 43.A OE2 no hydrogen 2.876 N/A ARG 236.A NH2 GLU 43.A OE2 no hydrogen 3.087 N/A ARG 236.A NH2 ILE 231.A O no hydrogen 2.853 N/A GLU 238.A N.A ASP 235.A OD1 no hydrogen 3.001 N/A GLU 238.A N.B ASP 235.A OD1 no hydrogen 2.966 N/A ALA 239.A N ASP 235.A O no hydrogen 3.040 N/A ALA 240.A N ARG 236.A O no hydrogen 2.959 N/A GLU 241.A N LEU 237.A O no hydrogen 2.948 N/A MET 242.A N.A GLU 238.A O.A no hydrogen 2.896 N/A MET 242.A N.A GLU 238.A O.B no hydrogen 2.850 N/A MET 242.A N.B GLU 238.A O.A no hydrogen 2.931 N/A MET 242.A N.B GLU 238.A O.B no hydrogen 2.886 N/A TYR 243.A N ALA 239.A O no hydrogen 2.971 N/A ARG 244.A N ALA 240.A O no hydrogen 2.787 N/A ARG 244.A NE GLU 241.A OE1 no hydrogen 3.355 N/A ARG 244.A NE GLU 241.A OE2 no hydrogen 2.900 N/A ARG 244.A NH1 GLU 241.A OE1 no hydrogen 2.886 N/A ARG 244.A NH2 GLU 29.A O.A no hydrogen 3.004 N/A ARG 244.A NH2 GLU 29.A O.B no hydrogen 2.805 N/A LYS 245.A N GLU 241.A O no hydrogen 2.894 N/A ALA 246.A N MET 242.A O.A no hydrogen 2.998 N/A ALA 246.A N MET 242.A O.B no hydrogen 3.126 N/A ALA 247.A N TYR 243.A O no hydrogen 2.972 N/A TRP 248.A N ARG 244.A O no hydrogen 2.878 N/A GLU 249.A N.A LYS 245.A O no hydrogen 3.010 N/A GLU 249.A N.B LYS 245.A O no hydrogen 3.010 N/A ALA 250.A N ALA 246.A O no hydrogen 3.113 N/A TYR 251.A N ALA 247.A O no hydrogen 3.040 N/A LEU 252.A N TRP 248.A O no hydrogen 2.921 N/A SER 253.A N.A GLU 249.A O.A no hydrogen 2.957 N/A SER 253.A N.A GLU 249.A O.B no hydrogen 2.879 N/A SER 253.A N.B GLU 249.A O.A no hydrogen 2.941 N/A SER 253.A N.B GLU 249.A O.B no hydrogen 2.864 N/A SER 253.A OG.A GLU 249.A O.A no hydrogen 2.985 N/A SER 253.A OG.A GLU 249.A O.B no hydrogen 3.066 N/A ARG 254.A N ALA 250.A O no hydrogen 3.101 N/A ARG 254.A N TYR 251.A O no hydrogen 3.204 N/A ARG 254.A NE GLU 2.A OE1 no hydrogen 3.104 N/A ARG 254.A NE GLU 2.A OE2 no hydrogen 3.385 N/A ARG 254.A NH1 ILE 216.A O no hydrogen 2.830 N/A ARG 254.A NH1 SER 221.A O.A no hydrogen 2.688 N/A ARG 254.A NH1 SER 221.A O.B no hydrogen 2.524 N/A ARG 254.A NH2 GLU 2.A OE2 no hydrogen 2.803 N/A LEU 255.A N TYR 251.A O no hydrogen 2.991 N/A GLY 256.A N LEU 252.A O no hydrogen 3.023 N/A