Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pxp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE ALA 50.A O no hydrogen 3.057 N/A ARG 3.A NH1 ALA 78.A O no hydrogen 3.097 N/A ARG 3.A NH2 ALA 50.A O no hydrogen 2.992 N/A PHE 6.A N GLU 2.A O no hydrogen 2.939 N/A GLY 7.A N ARG 3.A O no hydrogen 2.896 N/A LYS 8.A N ALA 4.A O no hydrogen 3.039 N/A LEU 9.A N ALA 5.A O no hydrogen 3.053 N/A VAL 10.A N PHE 6.A O no hydrogen 3.043 N/A GLN 11.A N GLY 7.A O no hydrogen 3.110 N/A ALA 12.A N LYS 8.A O no hydrogen 3.075 N/A LEU 13.A N LEU 9.A O no hydrogen 2.896 N/A ARG 14.A N VAL 10.A O no hydrogen 2.889 N/A ARG 14.A NE GLU 45.A OE1 no hydrogen 3.419 N/A ARG 14.A NE GLU 45.A OE2 no hydrogen 2.724 N/A ARG 14.A NH1 TRP 25.A O no hydrogen 2.825 N/A ARG 14.A NH2 GLU 45.A OE1 no hydrogen 2.779 N/A ARG 15.A N GLN 11.A O no hydrogen 3.002 N/A GLU 16.A N LEU 13.A O no hydrogen 3.238 N/A HIS 17.A N ARG 14.A O no hydrogen 3.087 N/A HIS 17.A NE2 LEU 64.A O no hydrogen 2.902 N/A ARG 18.A NH1 ARG 15.A O no hydrogen 2.829 N/A ARG 18.A NH1 HIS 17.A O no hydrogen 3.092 N/A ASP 19.A N ARG 23.A O no hydrogen 2.879 N/A GLU 20.A N GLU 20.A OE1 no hydrogen 2.913 N/A LYS 21.A N ASP 19.A OD1 no hydrogen 2.788 N/A GLY 22.A N ASP 19.A O no hydrogen 2.968 N/A ARG 23.A N ASP 19.A OD1 no hydrogen 2.964 N/A TRP 25.A N HIS 17.A O no hydrogen 3.196 N/A THR 26.A OG1 GLU 28.A OE1 no hydrogen 3.494 N/A GLN 27.A NE2 GLU 45.A OE1 no hydrogen 2.733 N/A GLU 28.A N GLU 28.A OE1 no hydrogen 2.815 N/A VAL 29.A N THR 26.A OG1 no hydrogen 3.278 N/A LEU 30.A N THR 26.A O no hydrogen 3.036 N/A ALA 31.A N GLN 27.A O no hydrogen 2.803 N/A GLU 32.A N GLU 28.A O no hydrogen 2.934 N/A ARG 33.A N VAL 29.A O no hydrogen 2.932 N/A ARG 33.A NH1 GLU 32.A OE1 no hydrogen 2.650 N/A ARG 33.A NH2 GLU 20.A OE1 no hydrogen 3.173 N/A THR 34.A N LEU 30.A O no hydrogen 3.038 N/A THR 34.A N ALA 31.A O no hydrogen 3.294 N/A THR 34.A OG1 LEU 30.A O no hydrogen 2.819 N/A THR 34.A OG1 ALA 31.A O no hydrogen 3.097 N/A GLN 35.A N GLU 32.A O no hydrogen 3.288 N/A GLN 35.A NE2.A ARG 33.A O no hydrogen 3.374 N/A LEU 36.A N ALA 31.A O no hydrogen 3.002 N/A LYS 38.A NZ GLN 27.A OE1 no hydrogen 3.493 N/A THR 40.A N PRO 37.A O no hydrogen 3.057 N/A ILE 41.A N PRO 37.A O no hydrogen 3.378 N/A GLU 42.A N LYS 38.A O no hydrogen 2.821 N/A ARG 43.A N ARG 39.A O no hydrogen 2.879 N/A ILE 44.A N THR 40.A O no hydrogen 2.930 N/A GLU 45.A N ILE 41.A O no hydrogen 2.908 N/A ASN 46.A N GLU 42.A O no hydrogen 3.007 N/A GLY 47.A N ILE 44.A O no hydrogen 3.211 N/A SER 48.A N ARG 43.A O no hydrogen 2.892 N/A SER 48.A OG ARG 43.A O no hydrogen 3.467 N/A SER 48.A OG ASN 46.A OD1.B no hydrogen 2.537 N/A ILE 56.A N ASP 53.A OD1 no hydrogen 3.273 N/A LEU 57.A N ASP 53.A O no hydrogen 3.156 N/A LEU 58.A N ALA 54.A O no hydrogen 2.872 N/A ARG 59.A N ASP 55.A O no hydrogen 2.903 N/A ARG 59.A NH1 THR 34.A O no hydrogen 3.073 N/A LEU 60.A N ILE 56.A O no hydrogen 2.898 N/A ALA 61.A N LEU 57.A O no hydrogen 2.915 N/A ASP 62.A N LEU 58.A O no hydrogen 2.922 N/A ALA 63.A N ARG 59.A O no hydrogen 2.898 N/A LEU 64.A N LEU 60.A O no hydrogen 2.874 N/A GLU 65.A N ASP 62.A O no hydrogen 3.309 N/A LEU 66.A N ALA 61.A O no hydrogen 3.378 N/A THR 67.A N GLU 70.A OE1 no hydrogen 2.976 N/A GLU 70.A N THR 67.A OG1 no hydrogen 3.144 N/A ARG 71.A N THR 67.A O no hydrogen 2.840 N/A ARG 71.A NH1 ASP 62.A OD1 no hydrogen 2.684 N/A ARG 71.A NH2 ASP 62.A OD1 no hydrogen 3.121 N/A ARG 72.A N ILE 68.A O no hydrogen 3.265 N/A ARG 72.A NH1 ASP 211.A OD2 no hydrogen 2.882 N/A ARG 72.A NH2 SER 213.A OG no hydrogen 3.302 N/A GLU 73.A N GLY 69.A O no hydrogen 3.325 N/A PHE 74.A N GLU 70.A O no hydrogen 2.791 N/A PHE 75.A N ARG 71.A O no hydrogen 2.848 N/A PHE 76.A N ARG 72.A O no hydrogen 3.114 N/A ALA 77.A N GLU 73.A O no hydrogen 2.941 N/A ALA 78.A N PHE 74.A O no hydrogen 3.212 N/A ALA 78.A N PHE 75.A O no hydrogen 3.159 N/A THR 79.A N PHE 75.A O no hydrogen 2.799 N/A THR 79.A OG1 PHE 75.A O no hydrogen 2.983 N/A GLY 80.A N PHE 76.A O no hydrogen 2.765 N/A SER 92.A N GLU 95.A OE1 no hydrogen 3.202 N/A SER 92.A OG GLU 95.A OE1 no hydrogen 3.330 N/A GLU 95.A N SER 92.A OG no hydrogen 3.254 N/A SER 96.A N SER 92.A O no hydrogen 2.894 N/A SER 96.A OG SER 92.A O no hydrogen 2.863 N/A LEU 97.A N PRO 93.A O no hydrogen 3.095 N/A GLN 98.A N GLU 94.A O no hydrogen 3.025 N/A GLN 98.A NE2 ASP 102.A OD1 no hydrogen 2.806 N/A TYR 99.A N GLU 95.A O no hydrogen 3.031 N/A LEU 100.A N SER 96.A O no hydrogen 3.220 N/A ILE 101.A N LEU 97.A O no hydrogen 2.875 N/A ASP 102.A N GLN 98.A O no hydrogen 2.800 N/A ARG 104.A N ILE 101.A O no hydrogen 2.904 N/A ASN 105.A ND2 ASP 102.A O no hydrogen 2.667 N/A ALA 109.A N ASN 122.A OD1 no hydrogen 3.252 N/A PHE 110.A N HIS 246.A O no hydrogen 2.941 N/A VAL 111.A N ALA 120.A O no hydrogen 2.834 N/A THR 112.A N SER 245.A O no hydrogen 2.958 N/A THR 112.A OG1 HIS 246.A NE2 no hydrogen 2.705 N/A ASP 113.A N ASN 117.A O no hydrogen 3.186 N/A TYR 115.A N ASP 113.A OD1 no hydrogen 2.996 N/A TYR 115.A OH ASP 183.A OD2 no hydrogen 2.478 N/A VAL 116.A N ASP 113.A O no hydrogen 2.981 N/A ASN 117.A N ASP 113.A OD1 no hydrogen 3.037 N/A ASN 117.A ND2 TYR 185.A OH no hydrogen 2.930 N/A ILE 118.A N TYR 144.A O no hydrogen 2.758 N/A ILE 119.A N VAL 111.A O no hydrogen 2.787 N/A ALA 121.A N ILE 271.A O no hydrogen 3.041 N/A ASN 122.A N ALA 109.A O no hydrogen 3.111 N/A ASN 122.A ND2 ILE 103.A O no hydrogen 3.147 N/A ASN 122.A ND2 VAL 107.A O no hydrogen 3.035 N/A THR 124.A N ASN 122.A O no hydrogen 3.224 N/A THR 124.A N ASN 122.A OD1 no hydrogen 3.141 N/A THR 124.A OG1 ALA 109.A O no hydrogen 3.081 N/A THR 124.A OG1 ASN 122.A OD1 no hydrogen 2.875 N/A ARG 126.A NE LEU 262.A O no hydrogen 3.080 N/A ARG 126.A NH2 LEU 262.A O no hydrogen 3.203 N/A PHE 127.A N ILE 123.A O no hydrogen 2.806 N/A PHE 128.A N THR 124.A O no hydrogen 2.989 N/A ILE 130.A N ILE 125.A O no hydrogen 3.374 N/A LEU 133.A N PRO 131.A O no hydrogen 3.059 N/A THR 136.A N GLU 132.A O no hydrogen 3.048 N/A THR 136.A OG1 GLU 132.A O no hydrogen 3.172 N/A ALA 137.A N ILE 134.A O no hydrogen 3.350 N/A LEU 139.A N THR 136.A O no hydrogen 3.293 N/A LEU 140.A N ALA 137.A O no hydrogen 3.296 N/A HIS 142.A N HIS 142.A ND1 no hydrogen 2.918 N/A HIS 142.A NE2 TYR 195.A OH no hydrogen 2.777 N/A GLY 143.A N LEU 140.A O no hydrogen 3.025 N/A ASN 145.A N HIS 142.A O no hydrogen 3.130 N/A ASN 145.A ND2 TYR 115.A O no hydrogen 2.904 N/A ASN 145.A ND2 ASN 117.A OD1 no hydrogen 2.927 N/A LEU 146.A N VAL 116.A O no hydrogen 3.002 N/A ARG 147.A NE GLU 153.A OE2 no hydrogen 3.310 N/A ARG 147.A NH1 GLY 143.A O no hydrogen 2.862 N/A VAL 148.A N ASN 145.A O no hydrogen 3.404 N/A VAL 149.A N LEU 146.A O no hydrogen 3.104 N/A GLY 151.A N ARG 147.A O no hydrogen 2.828 N/A GLU 153.A N GLU 153.A OE1 no hydrogen 2.746 N/A TYR 154.A OH PHE 128.A O no hydrogen 2.723 N/A VAL 160.A N PHE 156.A O no hydrogen 3.245 N/A GLY 161.A N ARG 157.A O no hydrogen 2.901 N/A ALA 167.A N TRP 163.A O no hydrogen 2.767 N/A ARG 168.A N ASP 164.A O no hydrogen 2.917 N/A ARG 168.A NE GLU 208.A OE1 no hydrogen 3.128 N/A ARG 168.A NH1 ASP 164.A OD2.A no hydrogen 2.737 N/A HIS 169.A N GLU 165.A O no hydrogen 2.999 N/A HIS 169.A ND1 THR 212.A OG1 no hydrogen 2.912 N/A ASN 170.A N VAL 166.A O no hydrogen 2.972 N/A ASN 170.A ND2 VAL 166.A O no hydrogen 2.886 N/A GLN 171.A NE2 GLU 210.A O no hydrogen 3.215 N/A LEU 172.A N HIS 169.A O no hydrogen 2.999 N/A PHE 173.A N ASN 170.A O no hydrogen 2.979 N/A ARG 174.A NE GLU 70.A OE1 no hydrogen 3.276 N/A ARG 174.A NE GLU 70.A OE2 no hydrogen 2.772 N/A ARG 174.A NH2 GLU 70.A OE1 no hydrogen 2.695 N/A ARG 174.A NH2 GLU 70.A OE2 no hydrogen 3.408 N/A ALA 175.A N GLN 171.A O no hydrogen 3.017 N/A ILE 176.A N LEU 172.A O no hydrogen 2.896 N/A SER 177.A N PHE 173.A O no hydrogen 3.045 N/A SER 177.A OG PHE 173.A O no hydrogen 2.788 N/A SER 177.A OG ARG 174.A O no hydrogen 3.460 N/A ARG 179.A NH2 GLY 1.A O no hydrogen 2.733 N/A VAL 180.A N SER 177.A O no hydrogen 2.909 N/A ARG 181.A N LEU 178.A O no hydrogen 3.481 N/A ARG 181.A NE GLU 16.A OE2 no hydrogen 2.937 N/A ARG 181.A NH1 GLU 70.A OE2 no hydrogen 2.677 N/A ARG 181.A NH2 GLU 16.A OE1 no hydrogen 2.935 N/A ARG 181.A NH2 GLU 70.A OE2 no hydrogen 2.762 N/A ASP 183.A N VAL 180.A O no hydrogen 3.121 N/A TYR 185.A OH PRO 141.A O no hydrogen 2.606 N/A VAL 187.A N ASP 183.A O no hydrogen 3.032 N/A GLU 188.A N GLY 184.A O no hydrogen 3.078 N/A LEU 189.A N TYR 185.A O no hydrogen 2.837 N/A LEU 190.A N PHE 186.A O no hydrogen 2.757 N/A ASP 191.A N VAL 187.A O no hydrogen 3.123 N/A ASN 192.A N GLU 188.A O no hydrogen 3.206 N/A ASN 192.A ND2 GLU 188.A O no hydrogen 2.825 N/A LEU 193.A N LEU 189.A O no hydrogen 3.007 N/A TYR 195.A N LEU 193.A O no hydrogen 3.021 N/A TYR 195.A OH HIS 142.A NE2 no hydrogen 2.777 N/A TYR 195.A OH GLU 153.A OE2 no hydrogen 2.940 N/A LYS 199.A N TYR 195.A O no hydrogen 3.073 N/A ARG 200.A N ARG 196.A O no hydrogen 3.105 N/A ARG 200.A NE GLU 197.A OE1 no hydrogen 2.954 N/A ARG 200.A NE GLU 197.A OE2 no hydrogen 3.256 N/A ARG 200.A NH2 GLU 197.A OE2 no hydrogen 2.840 N/A PHE 201.A N GLU 197.A O no hydrogen 3.190 N/A TRP 202.A N PHE 198.A O no hydrogen 2.875 N/A GLU 203.A N LYS 199.A O no hydrogen 2.970 N/A ALA 205.A N TRP 202.A O no hydrogen 3.381 N/A LEU 207.A N ARG 204.A O no hydrogen 3.035 N/A GLU 208.A N ALA 205.A O no hydrogen 3.314 N/A THR 212.A N GLN 171.A OE1 no hydrogen 2.697 N/A THR 212.A OG1 HIS 169.A ND1 no hydrogen 2.912 N/A THR 212.A OG1 GLN 171.A OE1 no hydrogen 3.189 N/A SER 213.A N ASP 211.A OD1 no hydrogen 3.195 N/A SER 213.A OG ASP 211.A OD1 no hydrogen 2.589 N/A SER 213.A OG ASP 211.A OD2 no hydrogen 3.224 N/A GLU 215.A N THR 212.A O no hydrogen 3.008 N/A PHE 217.A N SER 233.A O no hydrogen 3.210 N/A TRP 218.A NE1 SER 230.A OG no hydrogen 2.904 N/A TYR 219.A N TYR 231.A O no hydrogen 2.734 N/A TYR 221.A N LEU 229.A O no hydrogen 3.313 N/A TYR 221.A OH TYR 231.A OH no hydrogen 2.865 N/A HIS 223.A N GLY 227.A O no hydrogen 2.687 N/A VAL 225.A N HIS 223.A ND1 no hydrogen 3.116 N/A TYR 226.A N HIS 223.A ND1 no hydrogen 3.155 N/A TYR 226.A OH PHE 127.A O no hydrogen 2.899 N/A GLY 227.A N HIS 223.A O no hydrogen 3.087 N/A LEU 229.A N TYR 221.A O no hydrogen 2.971 N/A SER 230.A N THR 255.A OG1 no hydrogen 2.907 N/A TYR 231.A N TYR 219.A O no hydrogen 2.976 N/A TYR 231.A OH TYR 221.A OH no hydrogen 2.865 N/A VAL 232.A N ILE 249.A O no hydrogen 2.966 N/A SER 233.A N PHE 217.A O no hydrogen 2.944 N/A SER 234.A N THR 247.A O no hydrogen 2.921 N/A ARG 235.A NH1 GLN 237.A OE1 no hydrogen 2.950 N/A ARG 235.A NH1 SER 245.A OG no hydrogen 2.665 N/A ARG 235.A NH2 GLN 237.A OE1 no hydrogen 3.361 N/A ILE 238.A N LEU 244.A O no hydrogen 2.799 N/A THR 240.A OG1 GLY 242.A O no hydrogen 2.708 N/A LEU 244.A N ILE 238.A O no hydrogen 2.962 N/A SER 245.A N THR 112.A O no hydrogen 2.810 N/A HIS 246.A NE2 THR 112.A OG1 no hydrogen 2.705 N/A THR 247.A N SER 234.A O no hydrogen 2.957 N/A TYR 248.A N PRO 108.A O no hydrogen 2.998 N/A ILE 249.A N VAL 232.A O no hydrogen 2.863 N/A LEU 251.A N SER 230.A O no hydrogen 2.752 N/A SER 252.A OG THR 255.A OG1 no hydrogen 2.723 N/A THR 255.A N SER 252.A OG no hydrogen 3.242 N/A THR 255.A OG1 SER 230.A O no hydrogen 3.273 N/A THR 255.A OG1 SER 252.A OG no hydrogen 2.723 N/A THR 256.A N SER 252.A O no hydrogen 2.918 N/A THR 256.A OG1 SER 252.A O no hydrogen 3.128 N/A ASP 257.A N PRO 253.A O no hydrogen 2.909 N/A LEU 258.A N ALA 254.A O no hydrogen 2.958 N/A PHE 259.A N THR 255.A O no hydrogen 2.958 N/A ALA 260.A N THR 256.A O no hydrogen 2.944 N/A LYS 261.A N ASP 257.A O no hydrogen 2.950 N/A LEU 262.A N LEU 258.A O no hydrogen 2.986 N/A SER 263.A N PHE 259.A O no hydrogen 2.940 N/A SER 263.A OG PHE 259.A O no hydrogen 3.359 N/A SER 263.A OG ALA 260.A O no hydrogen 2.800 N/A THR 264.A N ALA 260.A O no hydrogen 3.192 N/A THR 264.A OG1 ALA 260.A O no hydrogen 3.044 N/A VAL 265.A N LYS 261.A O no hydrogen 3.299 N/A GLN 268.A NE2 ASN 105.A O no hydrogen 3.673 N/A GLN 268.A NE2 ASN 106.A OD1 no hydrogen 2.803 N/A ILE 271.A N ALA 121.A O no hydrogen 2.752 N/A LEU 273.A N ILE 119.A O no hydrogen 2.820 N/A ALA 274.A N ILE 118.A O no hydrogen 2.878 N/A SER 279.A OG GLY 281.A O no hydrogen 3.550 N/A ASN 280.A ND2 GLU 94.A OE2 no hydrogen 3.493 N/A