Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3epp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N ILE 1.A O no hydrogen 3.406 N/A ASN 6.A N TYR 3.A O no hydrogen 3.205 N/A PHE 7.A N TYR 3.A O no hydrogen 2.920 N/A ASN 8.A N LEU 4.A O no hydrogen 2.797 N/A ASN 9.A N ARG 5.A O no hydrogen 2.941 N/A TRP 10.A N ASN 6.A O no hydrogen 2.894 N/A TRP 10.A NE1 ASN 231.A O no hydrogen 2.741 N/A MET 11.A N PHE 7.A O no hydrogen 2.963 N/A LYS 12.A N ASN 8.A O no hydrogen 3.066 N/A LYS 12.A NZ ASP 41.A OD2 no hydrogen 2.796 N/A SER 13.A N ASN 9.A O no hydrogen 2.907 N/A SER 13.A OG ASN 9.A O no hydrogen 2.462 N/A VAL 14.A N TRP 10.A O no hydrogen 3.054 N/A LEU 15.A N MET 11.A O no hydrogen 3.076 N/A ILE 16.A N LYS 12.A O no hydrogen 2.861 N/A GLY 17.A N SER 13.A O no hydrogen 2.969 N/A GLU 18.A N VAL 14.A O no hydrogen 3.143 N/A PHE 19.A N LEU 15.A O no hydrogen 3.450 N/A LEU 20.A N ILE 16.A O no hydrogen 3.011 N/A GLU 21.A N GLY 17.A O no hydrogen 3.015 N/A LYS 22.A N GLU 18.A O no hydrogen 2.956 N/A VAL 23.A N PHE 19.A O no hydrogen 2.885 N/A ARG 24.A N LEU 20.A O no hydrogen 2.986 N/A ARG 24.A NH1 GLY 48.A O no hydrogen 2.717 N/A ARG 24.A NH2 GLY 48.A O no hydrogen 2.779 N/A GLN 25.A N GLU 21.A O no hydrogen 3.209 N/A GLN 25.A N LYS 22.A O no hydrogen 3.389 N/A LYS 26.A N VAL 23.A O no hydrogen 3.225 N/A ILE 29.A N ASN 51.A OD1 no hydrogen 2.855 N/A THR 30.A N ASP 107.A OD2 no hydrogen 2.780 N/A THR 30.A OG1 ASP 28.A O no hydrogen 3.324 N/A VAL 31.A N LYS 52.A O no hydrogen 2.940 N/A LEU 32.A N ILE 108.A O no hydrogen 2.887 N/A ASP 33.A N VAL 54.A O no hydrogen 2.805 N/A LEU 34.A N SER 110.A O no hydrogen 3.053 N/A GLY 35.A N THR 56.A O no hydrogen 2.756 N/A CYS 36.A N THR 56.A O no hydrogen 3.141 N/A CYS 36.A SG GLY 37.A O no hydrogen 3.466 N/A CYS 36.A SG THR 56.A O no hydrogen 3.667 N/A GLY 37.A N ASP 57.A OD2 no hydrogen 2.797 N/A GLY 39.A N CYS 36.A O no hydrogen 3.355 N/A LEU 42.A N GLY 39.A O no hydrogen 3.247 N/A LYS 44.A NZ ASN 9.A OD1 no hydrogen 2.844 N/A LYS 44.A NZ ASP 41.A OD2 no hydrogen 2.817 N/A TRP 45.A N ASP 41.A O no hydrogen 3.306 N/A LYS 46.A N LEU 42.A O no hydrogen 2.947 N/A LYS 47.A N LEU 43.A O no hydrogen 2.799 N/A GLY 48.A N LYS 44.A O no hydrogen 2.977 N/A ARG 49.A N LYS 46.A O no hydrogen 3.171 N/A ILE 50.A N TRP 45.A O no hydrogen 3.335 N/A ASN 51.A N ILE 29.A O no hydrogen 2.966 N/A ASN 51.A ND2 TYR 79.A OH no hydrogen 2.989 N/A LYS 52.A N ILE 29.A O no hydrogen 3.061 N/A LEU 53.A N SER 82.A O no hydrogen 3.025 N/A VAL 54.A N VAL 31.A O no hydrogen 2.826 N/A CYS 55.A N GLU 84.A O no hydrogen 2.913 N/A THR 56.A N ASP 33.A O no hydrogen 2.985 N/A THR 56.A OG1 ILE 86.A O no hydrogen 2.598 N/A ASP 57.A N ILE 86.A O no hydrogen 3.207 N/A ALA 59.A N ASP 57.A OD1 no hydrogen 3.005 N/A SER 62.A N ALA 59.A O no hydrogen 3.173 N/A VAL 63.A N ALA 59.A O no hydrogen 3.145 N/A LYS 64.A N ASP 60.A O no hydrogen 3.018 N/A GLN 65.A N VAL 61.A O no hydrogen 3.132 N/A GLN 65.A NE2 VAL 61.A O no hydrogen 3.126 N/A CYS 66.A N SER 62.A O no hydrogen 2.654 N/A GLN 67.A N VAL 63.A O no hydrogen 2.755 N/A GLN 68.A N LYS 64.A O no hydrogen 2.961 N/A ARG 69.A N GLN 65.A O no hydrogen 3.020 N/A TYR 70.A N CYS 66.A O no hydrogen 3.017 N/A TYR 70.A OH PHE 81.A O no hydrogen 2.498 N/A GLU 71.A N GLN 67.A O no hydrogen 2.960 N/A ASP 72.A N GLN 68.A O no hydrogen 2.841 N/A MET 73.A N ARG 69.A O no hydrogen 3.017 N/A LYS 74.A N TYR 70.A O no hydrogen 3.042 N/A ASN 75.A N GLU 71.A O no hydrogen 2.808 N/A ARG 76.A N ASP 72.A O no hydrogen 2.950 N/A SER 82.A N ASN 51.A O no hydrogen 3.038 N/A SER 82.A OG ASN 51.A O no hydrogen 3.503 N/A GLU 84.A N LEU 53.A O no hydrogen 3.020 N/A ILE 86.A N CYS 55.A O no hydrogen 2.943 N/A THR 87.A OG1 ASP 60.A OD1 no hydrogen 2.568 N/A ALA 88.A N ASP 57.A O no hydrogen 3.089 N/A ASP 89.A N GLU 93.A OE1 no hydrogen 3.002 N/A SER 91.A N ASP 89.A OD1 no hydrogen 2.989 N/A SER 91.A OG ASP 89.A OD1 no hydrogen 2.699 N/A LYS 92.A N ASP 89.A O no hydrogen 3.063 N/A GLU 93.A N ASP 89.A O no hydrogen 2.727 N/A LEU 95.A N ASN 131.A OD1 no hydrogen 3.033 N/A ASP 97.A N LEU 94.A O no hydrogen 2.993 N/A LYS 98.A N LEU 95.A O no hydrogen 2.786 N/A LYS 98.A NZ GLU 93.A OE2 no hydrogen 3.270 N/A PHE 99.A N LEU 95.A O no hydrogen 2.882 N/A ARG 100.A N GLU 84.A OE2 no hydrogen 3.057 N/A GLN 103.A N ASP 101.A OD1 no hydrogen 3.331 N/A MET 104.A N ASP 101.A O no hydrogen 3.157 N/A CYS 105.A SG GLN 103.A O no hydrogen 3.810 N/A PHE 106.A N ARG 135.A O no hydrogen 3.044 N/A ASP 107.A N THR 30.A O no hydrogen 2.620 N/A ILE 108.A N THR 30.A O no hydrogen 3.476 N/A CYS 109.A N TYR 141.A O no hydrogen 2.734 N/A CYS 109.A SG LEU 32.A O no hydrogen 3.755 N/A SER 110.A N LEU 32.A O no hydrogen 2.798 N/A SER 110.A OG GLN 112.A OE1 no hydrogen 2.721 N/A CYS 111.A N ILE 143.A O no hydrogen 2.768 N/A CYS 111.A SG LEU 34.A O no hydrogen 3.939 N/A PHE 113.A N THR 145.A O no hydrogen 2.886 N/A PHE 113.A N THR 145.A OG1 no hydrogen 2.878 N/A HIS 116.A ND1 THR 146.A OG1 no hydrogen 2.834 N/A TYR 117.A N VAL 114.A O no hydrogen 3.125 N/A SER 118.A N CYS 115.A O no hydrogen 2.965 N/A SER 118.A OG CYS 115.A O no hydrogen 2.784 N/A SER 121.A OG GLN 124.A OE1 no hydrogen 2.507 N/A GLU 123.A N GLU 123.A OE1 no hydrogen 3.084 N/A GLN 124.A N SER 121.A OG no hydrogen 3.386 N/A GLN 124.A NE2 GLU 120.A OE1 no hydrogen 3.234 N/A ALA 125.A N SER 121.A O no hydrogen 2.916 N/A ASP 126.A N TYR 122.A O no hydrogen 2.817 N/A MET 127.A N GLU 123.A O no hydrogen 2.992 N/A MET 128.A N GLN 124.A O no hydrogen 3.032 N/A LEU 129.A N ALA 125.A O no hydrogen 3.340 N/A ARG 130.A N ASP 126.A O no hydrogen 2.964 N/A ARG 130.A NE GLU 134.A OE1 no hydrogen 2.930 N/A ARG 130.A NH1 GLU 134.A OE2 no hydrogen 3.374 N/A ASN 131.A N MET 127.A O no hydrogen 3.038 N/A ASN 131.A ND2 SER 90.A O no hydrogen 2.875 N/A ASN 131.A ND2 GLU 93.A O no hydrogen 2.714 N/A ALA 132.A N MET 128.A O no hydrogen 3.215 N/A CYS 133.A N ARG 130.A O no hydrogen 3.105 N/A GLU 134.A N ARG 130.A O no hydrogen 2.746 N/A ARG 135.A NE MET 104.A O no hydrogen 2.899 N/A ARG 135.A NH2 MET 104.A O no hydrogen 3.552 N/A LEU 136.A N CYS 133.A O no hydrogen 3.069 N/A SER 137.A N PHE 106.A O no hydrogen 2.962 N/A GLY 139.A N LYS 263.A O no hydrogen 2.849 N/A GLY 140.A N SER 137.A O no hydrogen 2.792 N/A TYR 141.A N ASP 107.A O no hydrogen 2.913 N/A PHE 142.A N PHE 261.A O no hydrogen 2.899 N/A ILE 143.A N CYS 109.A O no hydrogen 2.983 N/A GLY 144.A N PHE 259.A O no hydrogen 3.075 N/A THR 146.A N LEU 257.A O no hydrogen 3.215 N/A THR 146.A OG1 HIS 116.A ND1 no hydrogen 2.834 N/A ASN 148.A N ILE 255.A O no hydrogen 2.734 N/A PHE 150.A N ASN 148.A OD1 no hydrogen 3.172 N/A LEU 152.A N ASN 148.A O no hydrogen 3.306 N/A ILE 153.A N SER 149.A O no hydrogen 3.235 N/A ARG 154.A N PHE 150.A O no hydrogen 3.043 N/A ARG 155.A N GLU 151.A O no hydrogen 3.185 N/A ARG 155.A NE GLU 151.A OE1 no hydrogen 2.635 N/A ARG 155.A NH1 TYR 169.A OH no hydrogen 2.642 N/A ARG 155.A NH1 GLU 251.A O no hydrogen 2.815 N/A ARG 155.A NH2 GLU 151.A OE1 no hydrogen 3.197 N/A ARG 155.A NH2 GLU 251.A O no hydrogen 3.161 N/A ARG 155.A NH2 SER 254.A OG no hydrogen 2.730 N/A LEU 156.A N LEU 152.A O no hydrogen 2.814 N/A GLU 157.A N ILE 153.A O no hydrogen 2.828 N/A ALA 158.A N ARG 154.A O no hydrogen 3.099 N/A SER 159.A N LEU 156.A O no hydrogen 3.166 N/A SER 159.A OG SER 163.A O no hydrogen 2.632 N/A THR 161.A N SER 159.A OG no hydrogen 3.135 N/A THR 161.A OG1 SER 163.A O no hydrogen 3.461 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 2.712 N/A SER 163.A N THR 161.A OG1 no hydrogen 3.305 N/A PHE 164.A N VAL 171.A O no hydrogen 3.007 N/A ASN 166.A N TYR 169.A O no hydrogen 3.175 N/A ASN 166.A ND2 SER 248.A O no hydrogen 2.944 N/A ASN 166.A ND2 GLU 251.A OE1 no hydrogen 2.992 N/A GLU 167.A N GLU 167.A OE1 no hydrogen 2.691 N/A ILE 168.A N ASN 166.A OD1 no hydrogen 2.898 N/A TYR 169.A N ASN 166.A OD1 no hydrogen 3.082 N/A VAL 171.A N PHE 164.A O no hydrogen 2.851 N/A LYS 172.A N ASP 187.A O no hydrogen 2.951 N/A PHE 173.A N GLU 162.A O no hydrogen 2.883 N/A GLN 174.A N LYS 185.A O no hydrogen 2.947 N/A LYS 176.A NZ LEU 156.A O no hydrogen 2.554 N/A LYS 176.A NZ THR 161.A O no hydrogen 3.369 N/A GLY 177.A N TYR 179.A OH no hydrogen 3.185 N/A GLY 183.A N PHE 119.A O no hydrogen 2.989 N/A CYS 184.A SG ASP 178.A O no hydrogen 3.850 N/A TYR 186.A N GLU 193.A O no hydrogen 3.094 N/A TYR 186.A OH GLU 193.A OE1 no hydrogen 2.445 N/A ASP 187.A N LYS 172.A O no hydrogen 2.816 N/A ASN 189.A N THR 170.A O no hydrogen 2.968 N/A GLU 193.A N TYR 186.A O no hydrogen 2.914 N/A PHE 194.A N HIS 116.A O no hydrogen 3.163 N/A LEU 195.A N CYS 184.A O no hydrogen 2.953 N/A LEU 201.A N TYR 197.A O no hydrogen 3.031 N/A ASN 202.A N PHE 198.A O no hydrogen 2.850 N/A GLU 203.A N PRO 199.A O no hydrogen 2.990 N/A MET 204.A N LEU 200.A O no hydrogen 2.966 N/A ALA 205.A N LEU 201.A O no hydrogen 3.014 N/A LYS 206.A N GLU 203.A O no hydrogen 3.222 N/A LYS 206.A NZ GLU 203.A OE1 no hydrogen 2.925 N/A LYS 206.A NZ GLU 203.A OE2 no hydrogen 3.060 N/A LYS 207.A N MET 204.A O no hydrogen 3.328 N/A LYS 207.A NZ ASP 126.A OD1 no hydrogen 2.784 N/A LYS 207.A NZ TYR 208.A OH no hydrogen 3.481 N/A TYR 208.A N ALA 205.A O no hydrogen 3.182 N/A TYR 208.A OH ASP 126.A O no hydrogen 3.305 N/A TYR 208.A OH ASP 126.A OD1 no hydrogen 3.209 N/A TYR 208.A OH ASP 126.A OD2 no hydrogen 2.725 N/A ASN 209.A N LYS 206.A O no hydrogen 3.189 N/A ASN 209.A ND2 GLN 265.A O no hydrogen 3.254 N/A MET 210.A N ALA 205.A O no hydrogen 3.307 N/A LYS 211.A N GLU 262.A O no hydrogen 2.982 N/A VAL 213.A N ALA 260.A O no hydrogen 2.697 N/A TYR 214.A N ALA 260.A O no hydrogen 3.209 N/A TYR 214.A OH GLU 18.A OE1 no hydrogen 2.848 N/A LYS 216.A N VAL 258.A O no hydrogen 3.021 N/A THR 217.A N GLU 220.A OE2 no hydrogen 2.940 N/A PHE 218.A N TYR 256.A O no hydrogen 3.075 N/A GLU 220.A N THR 217.A OG1 no hydrogen 3.193 N/A PHE 221.A N THR 217.A O no hydrogen 2.924 N/A TYR 222.A N PHE 218.A O no hydrogen 2.753 N/A TYR 222.A OH THR 244.A OG1 no hydrogen 3.362 N/A GLU 223.A N LEU 219.A O no hydrogen 3.092 N/A GLU 224.A N GLU 220.A O no hydrogen 3.139 N/A LYS 225.A N PHE 221.A O no hydrogen 2.901 N/A LYS 225.A NZ GLU 18.A OE1 no hydrogen 2.537 N/A ILE 226.A N TYR 222.A O no hydrogen 2.785 N/A LYS 227.A N GLU 224.A O no hydrogen 3.280 N/A ASN 228.A N LYS 225.A O no hydrogen 3.330 N/A GLU 230.A N ASN 228.A OD1 no hydrogen 2.787 N/A ASN 231.A ND2 LYS 225.A O no hydrogen 3.072 N/A LYS 232.A N ASN 228.A O no hydrogen 3.003 N/A LYS 232.A NZ ASN 229.A OD1 no hydrogen 3.515 N/A MET 233.A N ASN 229.A O no hydrogen 2.822 N/A LEU 234.A N GLU 230.A O no hydrogen 3.243 N/A LEU 235.A N ASN 231.A O no hydrogen 3.175 N/A LYS 236.A N LYS 232.A O no hydrogen 2.984 N/A ARG 237.A N MET 233.A O no hydrogen 3.077 N/A MET 238.A N LEU 234.A O no hydrogen 2.904 N/A GLN 239.A N LEU 235.A O no hydrogen 3.033 N/A THR 244.A OG1 TYR 222.A OH no hydrogen 3.362 N/A LEU 245.A N GLY 243.A O no hydrogen 2.742 N/A SER 246.A N GLU 249.A OE1 no hydrogen 3.186 N/A SER 248.A OG GLU 167.A OE1 no hydrogen 3.043 N/A SER 248.A OG GLU 167.A OE2 no hydrogen 3.158 N/A TRP 250.A N SER 246.A O no hydrogen 3.015 N/A TRP 250.A NE1 GLY 243.A O no hydrogen 3.062 N/A GLU 251.A N LYS 247.A O no hydrogen 3.070 N/A ALA 252.A N SER 248.A O no hydrogen 3.061 N/A THR 253.A N GLU 249.A O no hydrogen 2.794 N/A SER 254.A N TRP 250.A O no hydrogen 2.731 N/A SER 254.A OG TRP 250.A O no hydrogen 2.705 N/A SER 254.A OG GLU 251.A O no hydrogen 3.161 N/A TYR 256.A N THR 253.A O no hydrogen 3.306 N/A LEU 257.A N THR 146.A O no hydrogen 2.896 N/A VAL 258.A N LYS 216.A O no hydrogen 2.749 N/A PHE 259.A N GLY 144.A O no hydrogen 3.005 N/A ALA 260.A N TYR 214.A O no hydrogen 2.768 N/A PHE 261.A N PHE 142.A O no hydrogen 2.769 N/A GLU 262.A N LYS 211.A O no hydrogen 2.923 N/A LYS 263.A N GLY 140.A O no hydrogen 2.981 N/A LYS 263.A NZ CYS 133.A O no hydrogen 3.009 N/A LYS 263.A NZ TYR 208.A O no hydrogen 2.846 N/A GLN 264.A N ASN 209.A O no hydrogen 2.869 N/A GLN 264.A NE2 GLU 262.A O no hydrogen 2.755 N/A