Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4o4e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 12.A N MET 61.A O no hydrogen 2.865 N/A LYS 14.A N ILE 59.A O no hydrogen 2.912 N/A LYS 14.A NZ GLU 21.A OE1 no hydrogen 2.712 N/A LYS 14.A NZ GLU 21.A OE2 no hydrogen 3.077 N/A LYS 14.A NZ ASP 207.A OD1 no hydrogen 3.485 N/A CYS 16.A N GLU 57.A O no hydrogen 2.779 N/A HIS 19.A ND1 ASP 23.A OD2 no hydrogen 2.465 N/A ARG 20.A N SER 18.A OG no hydrogen 3.234 N/A ARG 20.A NE GLU 86.A OE1 no hydrogen 3.020 N/A ARG 20.A NH1 ASN 211.A O no hydrogen 2.907 N/A ARG 20.A NH1 GLU 217.A OE1 no hydrogen 3.247 N/A ARG 20.A NH1 GLU 217.A OE2 no hydrogen 2.889 N/A ARG 20.A NH2 GLU 86.A OE2 no hydrogen 3.024 N/A ARG 20.A NH2 GLU 217.A OE1 no hydrogen 2.944 N/A ARG 22.A NE ASP 23.A OD1 no hydrogen 3.219 N/A ARG 22.A NH1 GLU 57.A OE2 no hydrogen 2.800 N/A ARG 22.A NH2 ASP 23.A OD1 no hydrogen 3.350 N/A ASP 23.A N HIS 19.A O no hydrogen 2.860 N/A PHE 24.A N ARG 20.A O no hydrogen 3.005 N/A TYR 25.A N GLU 21.A O no hydrogen 3.054 N/A LEU 26.A N ARG 22.A O no hydrogen 3.015 N/A HIS 27.A N ASP 23.A O no hydrogen 3.044 N/A HIS 27.A N PHE 24.A O no hydrogen 2.992 N/A HIS 27.A ND1 TYR 179.A OH no hydrogen 3.072 N/A ILE 28.A N PHE 24.A O no hydrogen 2.971 N/A LYS 29.A NZ ASP 30.A OD1 no hydrogen 3.381 N/A LYS 29.A NZ ASP 30.A OD2 no hydrogen 3.200 N/A ASP 31.A N.A ILE 28.A O no hydrogen 2.919 N/A ASP 31.A N.B ILE 28.A O no hydrogen 2.925 N/A GLU 33.A N ASP 31.A OD1.A no hydrogen 2.745 N/A TRP 34.A N ASP 31.A O.A no hydrogen 2.761 N/A TRP 34.A N ASP 31.A O.B no hydrogen 2.798 N/A THR 35.A N ASP 31.A O.A no hydrogen 3.173 N/A THR 35.A N ASP 31.A O.B no hydrogen 3.163 N/A THR 35.A OG1 ASP 31.A O.A no hydrogen 3.424 N/A THR 35.A OG1 ASP 31.A O.B no hydrogen 3.383 N/A GLY 36.A N LYS 32.A O no hydrogen 2.960 N/A THR 37.A OG1 GLU 33.A O no hydrogen 2.508 N/A LYS 42.A N GLU 62.A OE1 no hydrogen 2.798 N/A LYS 42.A NZ TYR 44.A OH no hydrogen 3.442 N/A TYR 44.A N ARG 60.A O no hydrogen 2.793 N/A GLU 47.A N PHE 58.A O no hydrogen 2.860 N/A HIS 49.A N LEU 56.A O no hydrogen 3.035 N/A HIS 49.A NE2 GLU 47.A OE1 no hydrogen 2.695 N/A PHE 51.A N GLY 54.A O no hydrogen 3.026 N/A GLY 54.A N PHE 51.A O no hydrogen 3.073 N/A LEU 56.A N HIS 49.A O no hydrogen 2.946 N/A PHE 58.A N GLU 47.A O no hydrogen 2.864 N/A ILE 59.A N LYS 14.A O no hydrogen 2.782 N/A ARG 60.A N GLY 45.A O no hydrogen 2.962 N/A ARG 60.A NE GLU 47.A OE1 no hydrogen 3.200 N/A ARG 60.A NE GLU 47.A OE2 no hydrogen 2.880 N/A ARG 60.A NH2 GLU 47.A OE1 no hydrogen 3.084 N/A MET 61.A N LEU 12.A O no hydrogen 3.029 N/A GLU 62.A N LYS 42.A O no hydrogen 2.980 N/A ASN 63.A N GLN 10.A O no hydrogen 2.946 N/A ASN 63.A ND2 GLY 9.A O no hydrogen 2.728 N/A MET 65.A N ASN 63.A OD1 no hydrogen 3.043 N/A TYR 66.A N ASN 63.A O no hydrogen 3.225 N/A TYR 68.A N MET 65.A O no hydrogen 3.051 N/A LYS 69.A N ASP 191.A OD2 no hydrogen 2.824 N/A ARG 70.A N ASP 191.A OD1 no hydrogen 3.081 N/A PHE 72.A N TYR 190.A O no hydrogen 2.760 N/A VAL 73.A N GLU 115.A O no hydrogen 3.047 N/A LEU 74.A N PHE 188.A O no hydrogen 2.882 N/A ASP 75.A N GLY 113.A O no hydrogen 2.999 N/A LEU 76.A N VAL 186.A O no hydrogen 3.004 N/A LYS 77.A N ARG 110.A O no hydrogen 2.926 N/A ILE 78.A N SER 184.A O no hydrogen 2.993 N/A GLY 79.A N GLY 108.A O no hydrogen 2.729 N/A THR 80.A N ASP 223.A O no hydrogen 2.836 N/A THR 80.A OG1 ASP 223.A O no hydrogen 3.394 N/A GLN 81.A NE2 TRP 83.A O no hydrogen 2.759 N/A THR 82.A N ASP 99.A OD2 no hydrogen 2.898 N/A THR 82.A OG1 ASP 99.A OD1 no hydrogen 2.618 N/A THR 82.A OG1 ASP 99.A OD2 no hydrogen 3.485 N/A ASP 84.A N THR 87.A OG1 no hydrogen 2.917 N/A GLU 86.A N ASP 84.A OD1 no hydrogen 2.806 N/A THR 87.A N ASP 84.A O no hydrogen 3.101 N/A THR 87.A OG1 ASP 84.A O no hydrogen 3.329 N/A THR 87.A OG1 ASP 84.A OD1 no hydrogen 3.532 N/A LYS 91.A N ALA 88.A O no hydrogen 3.011 N/A MET 92.A N SER 89.A O no hydrogen 3.163 N/A ARG 95.A N LYS 91.A O no hydrogen 3.045 N/A LEU 96.A N MET 92.A O no hydrogen 2.916 N/A VAL 97.A N LYS 93.A O no hydrogen 3.002 N/A VAL 98.A N LYS 94.A O no hydrogen 2.920 N/A ASP 99.A N ARG 95.A O no hydrogen 2.932 N/A SER 100.A N LEU 96.A O no hydrogen 3.143 N/A SER 100.A OG.A LEU 96.A O no hydrogen 3.030 N/A SER 100.A OG.A VAL 97.A O no hydrogen 2.934 N/A THR 101.A N VAL 97.A O no hydrogen 2.835 N/A THR 101.A OG1 VAL 97.A O no hydrogen 2.725 N/A SER 102.A N VAL 98.A O no hydrogen 2.989 N/A SER 102.A OG VAL 98.A O no hydrogen 2.781 N/A SER 102.A OG ASP 99.A O no hydrogen 3.336 N/A SER 102.A OG THR 104.A OG1 no hydrogen 3.237 N/A THR 103.A OG1 VAL 109.A O no hydrogen 2.638 N/A THR 104.A N SER 102.A OG no hydrogen 3.172 N/A THR 104.A OG1 SER 102.A OG no hydrogen 3.237 N/A THR 105.A N ASP 99.A O no hydrogen 3.222 N/A THR 105.A OG1 ASP 99.A O no hydrogen 3.506 N/A SER 106.A OG THR 103.A O no hydrogen 3.446 N/A LEU 107.A N THR 103.A O no hydrogen 2.752 N/A GLY 108.A N THR 104.A O no hydrogen 2.836 N/A ARG 110.A N LYS 77.A O no hydrogen 2.941 N/A ARG 110.A NH1 ASP 99.A OD1 no hydrogen 3.001 N/A ARG 110.A NH1 THR 104.A OG1 no hydrogen 2.728 N/A SER 112.A N ASP 75.A O no hydrogen 2.800 N/A MET 114.A N TYR 126.A O no hydrogen 3.098 N/A GLU 115.A N VAL 73.A O no hydrogen 2.833 N/A ARG 116.A N ILE 124.A O no hydrogen 2.939 N/A ARG 116.A NE LEU 147.A O no hydrogen 2.951 N/A ARG 116.A NE ASN 150.A O no hydrogen 3.161 N/A ARG 116.A NH1 TYR 126.A OH no hydrogen 2.898 N/A ARG 116.A NH2 ASN 150.A O no hydrogen 2.759 N/A ASN 117.A ND2 PRO 71.A O no hydrogen 2.684 N/A ASN 117.A ND2 GLU 115.A OE2 no hydrogen 2.812 N/A GLU 121.A N GLU 121.A OE2 no hydrogen 2.657 N/A ILE 124.A N ARG 116.A O no hydrogen 2.814 N/A TYR 126.A N MET 114.A O no hydrogen 2.820 N/A ARG 128.A NH2 TYR 129.A OH no hydrogen 2.997 N/A TYR 129.A N SER 127.A OG no hydrogen 3.044 N/A LEU 130.A N SER 127.A O no hydrogen 3.097 N/A CYS 131.A N ARG 128.A O no hydrogen 3.256 N/A CYS 131.A SG ARG 128.A O no hydrogen 3.294 N/A HIS 133.A N LEU 130.A O no hydrogen 3.082 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.743 N/A VAL 135.A N LEU 130.A O no hydrogen 3.058 N/A ASN 136.A ND2 THR 132.A O no hydrogen 3.566 N/A THR 137.A N SER 140.A OG no hydrogen 3.032 N/A THR 137.A OG1 SER 140.A OG no hydrogen 3.049 N/A ARG 138.A NH1 ASP 238.A OD2 no hydrogen 2.998 N/A ARG 138.A NH2 SER 234.A OG no hydrogen 3.176 N/A ARG 138.A NH2 ASP 238.A OD2 no hydrogen 2.936 N/A SER 140.A N THR 137.A OG1 no hydrogen 3.091 N/A SER 140.A OG THR 137.A O no hydrogen 3.054 N/A SER 140.A OG THR 137.A OG1 no hydrogen 3.049 N/A LEU 141.A N THR 137.A O no hydrogen 2.910 N/A LYS 142.A N ARG 138.A O no hydrogen 2.944 N/A LYS 142.A NZ GLU 242.A OE1 no hydrogen 3.469 N/A LYS 142.A NZ GLU 242.A OE2 no hydrogen 2.777 N/A GLU 143.A N ASP 139.A O no hydrogen 3.078 N/A TYR 144.A N SER 140.A O no hydrogen 3.014 N/A ILE 145.A N LEU 141.A O no hydrogen 3.007 N/A LYS 146.A N LYS 142.A O no hydrogen 3.005 N/A LYS 146.A NZ GLU 143.A OE2 no hydrogen 3.338 N/A LYS 146.A NZ GLU 242.A OE1 no hydrogen 2.643 N/A LEU 147.A N GLU 143.A O no hydrogen 2.995 N/A PHE 148.A N TYR 144.A O no hydrogen 2.979 N/A PHE 149.A N ILE 145.A O no hydrogen 3.230 N/A ASN 150.A N LEU 147.A O no hydrogen 3.051 N/A ASP 151.A N LYS 154.A O no hydrogen 3.118 N/A GLY 152.A N ASN 150.A OD1 no hydrogen 2.911 N/A LYS 153.A N ASP 151.A OD1 no hydrogen 2.925 N/A LYS 154.A N ASP 151.A OD1 no hydrogen 2.858 N/A ARG 156.A N PHE 149.A O no hydrogen 2.760 N/A ARG 156.A NE GLU 158.A OE2 no hydrogen 2.710 N/A ARG 156.A NH1 ASP 151.A OD2 no hydrogen 2.903 N/A ARG 156.A NH1 SER 192.A O no hydrogen 2.756 N/A ARG 156.A NH2 THR 194.A O no hydrogen 2.831 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 2.874 N/A LEU 159.A N ARG 156.A O no hydrogen 3.042 N/A VAL 160.A N LYS 157.A O no hydrogen 3.327 N/A PHE 163.A N LEU 159.A O no hydrogen 3.459 N/A ILE 164.A N VAL 160.A O no hydrogen 3.064 N/A SER 165.A N PRO 161.A O no hydrogen 2.971 N/A GLN 166.A N TYR 162.A O no hydrogen 2.949 N/A GLN 166.A NE2 GLY 38.A O no hydrogen 2.778 N/A GLN 166.A NE2 CYS 203.A O no hydrogen 2.888 N/A LEU 167.A N PHE 163.A O no hydrogen 3.079 N/A ASP 168.A N ILE 164.A O no hydrogen 2.960 N/A LYS 169.A N SER 165.A O no hydrogen 3.276 N/A MET 170.A N GLN 166.A O no hydrogen 3.092 N/A ILE 171.A N LEU 167.A O no hydrogen 2.858 N/A GLU 172.A N ASP 168.A O no hydrogen 3.020 N/A VAL 173.A N LYS 169.A O no hydrogen 3.216 N/A MET 174.A N MET 170.A O no hydrogen 2.967 N/A LYS 175.A N ILE 171.A O no hydrogen 2.937 N/A LYS 175.A NZ GLU 172.A OE1 no hydrogen 3.268 N/A LYS 176.A N VAL 173.A O no hydrogen 3.247 N/A ARG 177.A N MET 174.A O no hydrogen 3.173 N/A ARG 177.A NH2 LYS 175.A O no hydrogen 2.852 N/A TYR 179.A OH HIS 27.A ND1 no hydrogen 3.072 N/A LYS 180.A N TRP 212.A O no hydrogen 3.076 N/A LYS 180.A NZ CYS 219.A O no hydrogen 2.700 N/A LYS 180.A NZ THR 220.A O no hydrogen 3.455 N/A LYS 180.A NZ VAL 221.A O no hydrogen 3.022 N/A LYS 180.A NZ GLU 222.A OE1 no hydrogen 3.089 N/A MET 181.A N ASP 223.A OD2 no hydrogen 2.982 N/A PHE 182.A N HIS 210.A O no hydrogen 3.283 N/A SER 183.A OG.A THR 82.A O no hydrogen 2.702 N/A SER 184.A OG.B ASP 207.A O no hydrogen 2.856 N/A SER 184.A OG.B ASN 211.A OD1 no hydrogen 3.442 N/A SER 185.A N ILE 206.A O no hydrogen 3.087 N/A SER 185.A OG ASP 75.A OD1 no hydrogen 2.668 N/A VAL 186.A N LEU 76.A O no hydrogen 2.876 N/A LEU 187.A N LYS 204.A O no hydrogen 2.868 N/A PHE 188.A N LEU 74.A O no hydrogen 2.834 N/A VAL 189.A N ASN 202.A O no hydrogen 2.924 N/A TYR 190.A N PHE 72.A O no hydrogen 3.017 N/A TYR 190.A OH PHE 148.A O no hydrogen 2.744 N/A ASP 191.A N LYS 200.A O no hydrogen 2.998 N/A SER 192.A N ARG 70.A O no hydrogen 3.114 N/A THR 193.A N ASP 191.A OD1 no hydrogen 3.148 N/A THR 193.A OG1 ASP 191.A OD1 no hydrogen 2.738 N/A THR 193.A OG1 ASP 191.A OD2 no hydrogen 3.274 N/A THR 194.A N ASP 191.A O no hydrogen 2.864 N/A THR 194.A OG1 THR 195.A O no hydrogen 2.793 N/A THR 195.A N ASP 198.A OD2 no hydrogen 3.020 N/A ASP 198.A N THR 195.A O no hydrogen 3.016 N/A ASP 198.A N THR 195.A OG1 no hydrogen 3.129 N/A LYS 199.A N LEU 196.A O no hydrogen 3.301 N/A LYS 200.A N THR 194.A OG1 no hydrogen 3.234 N/A LYS 200.A NZ LYS 67.A O no hydrogen 2.662 N/A LYS 200.A NZ ASP 191.A OD2 no hydrogen 2.972 N/A TYR 201.A OH LEU 196.A O no hydrogen 2.617 N/A ASN 202.A N VAL 189.A O no hydrogen 2.847 N/A CYS 203.A N ASN 202.A OD1 no hydrogen 3.275 N/A LYS 204.A N LEU 187.A O no hydrogen 3.112 N/A LYS 204.A NZ GLY 38.A O no hydrogen 2.919 N/A LYS 204.A NZ ASN 202.A OD1 no hydrogen 2.622 N/A MET 205.A N ILE 39.A O no hydrogen 2.811 N/A ILE 206.A N SER 185.A O no hydrogen 2.894 N/A PHE 208.A N GLU 21.A OE2 no hydrogen 2.877 N/A ASN 211.A N PHE 208.A O no hydrogen 3.251 N/A TRP 212.A N LYS 180.A O no hydrogen 2.790 N/A TRP 212.A NE1 ASP 84.A OD2 no hydrogen 2.839 N/A ILE 213.A N GLU 217.A OE2 no hydrogen 2.962 N/A LEU 214.A N GLU 178.A O no hydrogen 3.092 N/A GLU 216.A N.A ILE 213.A O no hydrogen 2.906 N/A GLU 216.A N.B ILE 213.A O no hydrogen 2.907 N/A GLU 217.A N ILE 213.A O no hydrogen 3.047 N/A CYS 219.A SG VAL 221.A O no hydrogen 4.031 N/A PHE 225.A N ASP 223.A OD1 no hydrogen 3.031 N/A GLY 228.A N GLY 224.A O no hydrogen 3.011 N/A LEU 229.A N PHE 225.A O no hydrogen 2.973 N/A ASN 230.A N LEU 226.A O no hydrogen 3.034 N/A ASN 230.A ND2 LEU 226.A O no hydrogen 2.815 N/A ASN 231.A N PHE 227.A O no hydrogen 3.050 N/A ASN 231.A ND2 LEU 107.A O no hydrogen 2.785 N/A LEU 232.A N GLY 228.A O no hydrogen 2.890 N/A LYS 233.A N LEU 229.A O no hydrogen 2.848 N/A LYS 233.A NZ ASP 168.A OD1 no hydrogen 2.708 N/A SER 234.A N ASN 230.A O no hydrogen 3.035 N/A ILE 235.A N ASN 231.A O no hydrogen 3.037 N/A LEU 236.A N LEU 232.A O no hydrogen 2.962 N/A GLU 237.A N LYS 233.A O no hydrogen 2.895 N/A ASP 238.A N SER 234.A O no hydrogen 3.029 N/A ILE 239.A N ILE 235.A O no hydrogen 2.991 N/A GLU 240.A N LEU 236.A O no hydrogen 2.941 N/A ASN 241.A N GLU 237.A O no hydrogen 3.024 N/A GLU 242.A N ASP 238.A O no hydrogen 2.875 N/A PHE 243.A N ILE 239.A O no hydrogen 2.826 N/A PHE 243.A N GLU 240.A O no hydrogen 3.207 N/A LYS 244.A N ASN 241.A O no hydrogen 3.297 N/A SER 245.A OG GLU 242.A O no hydrogen 2.917 N/A