Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pxr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE GLU 4.A OE2 no hydrogen 2.547 N/A GLU 4.A N GLU 4.A OE1 no hydrogen 2.611 N/A TRP 5.A N ARG 2.A O no hydrogen 3.071 N/A TRP 7.A N GLU 4.A O no hydrogen 3.022 N/A LEU 8.A N GLU 4.A O no hydrogen 3.255 N/A ALA 9.A N TRP 5.A O no hydrogen 2.880 N/A LEU 10.A N ILE 6.A O no hydrogen 3.150 N/A GLY 11.A N TRP 7.A O no hydrogen 3.003 N/A THR 12.A N LEU 8.A O no hydrogen 3.042 N/A THR 12.A OG1 LEU 8.A O no hydrogen 2.771 N/A ALA 13.A N ALA 9.A O no hydrogen 3.061 N/A LEU 14.A N LEU 10.A O no hydrogen 2.961 N/A MET 15.A N GLY 11.A O no hydrogen 2.968 N/A GLY 16.A N THR 12.A O no hydrogen 2.884 N/A LEU 17.A N ALA 13.A O no hydrogen 2.979 N/A GLY 18.A N LEU 14.A O no hydrogen 3.030 N/A THR 19.A N MET 15.A O no hydrogen 2.889 N/A THR 19.A OG1 MET 15.A O no hydrogen 2.627 N/A LEU 20.A N GLY 16.A O no hydrogen 3.065 N/A TYR 21.A N LEU 17.A O no hydrogen 3.125 N/A PHE 22.A N GLY 18.A O no hydrogen 2.970 N/A LEU 23.A N THR 19.A O no hydrogen 2.895 N/A VAL 24.A N LEU 20.A O no hydrogen 2.883 N/A LYS 25.A N TYR 21.A O no hydrogen 3.002 N/A GLY 26.A N PHE 22.A O no hydrogen 2.910 N/A MET 27.A N LEU 23.A O no hydrogen 3.013 N/A GLY 28.A N LYS 25.A O no hydrogen 3.340 N/A ALA 34.A N ASP 31.A OD2 no hydrogen 2.880 N/A LYS 35.A N ASP 31.A O no hydrogen 3.011 N/A LYS 36.A N PRO 32.A O no hydrogen 3.222 N/A PHE 37.A N ASP 33.A O no hydrogen 3.436 N/A TYR 38.A N ALA 34.A O no hydrogen 3.065 N/A ALA 39.A N LYS 35.A O no hydrogen 2.810 N/A ILE 40.A N LYS 36.A O no hydrogen 3.032 N/A THR 41.A N PHE 37.A O no hydrogen 3.009 N/A THR 41.A OG1 PHE 37.A O no hydrogen 2.869 N/A THR 41.A OG1 ASP 91.A OD2 no hydrogen 2.881 N/A THR 42.A N TYR 38.A O no hydrogen 2.890 N/A THR 42.A OG1 TYR 38.A O no hydrogen 2.703 N/A LEU 43.A N ALA 39.A O no hydrogen 3.128 N/A VAL 44.A N ILE 40.A O no hydrogen 2.989 N/A ALA 45.A N THR 41.A O no hydrogen 3.263 N/A ALA 46.A N THR 42.A O no hydrogen 2.965 N/A ILE 47.A N LEU 43.A O no hydrogen 2.958 N/A ALA 48.A N VAL 44.A O no hydrogen 3.256 N/A PHE 49.A N ALA 45.A O no hydrogen 2.826 N/A THR 50.A N ALA 46.A O no hydrogen 3.062 N/A THR 50.A OG1 ILE 47.A O no hydrogen 2.829 N/A MET 51.A N ILE 47.A O no hydrogen 3.119 N/A TYR 52.A N ALA 48.A O no hydrogen 2.914 N/A TYR 52.A OH ASP 207.A OD2 no hydrogen 2.649 N/A LEU 53.A N PHE 49.A O no hydrogen 3.022 N/A SER 54.A N THR 50.A O no hydrogen 2.943 N/A SER 54.A OG THR 50.A O no hydrogen 2.962 N/A MET 55.A N MET 51.A O no hydrogen 3.055 N/A LEU 56.A N TYR 52.A O no hydrogen 2.810 N/A LEU 57.A N LEU 53.A O no hydrogen 3.034 N/A GLY 58.A N MET 55.A O no hydrogen 3.063 N/A TYR 59.A N SER 54.A O no hydrogen 2.861 N/A THR 62.A N ILE 73.A O no hydrogen 2.893 N/A VAL 64.A N ASN 71.A O no hydrogen 2.819 N/A PHE 66.A N GLU 69.A O no hydrogen 3.065 N/A GLU 69.A N PHE 66.A O no hydrogen 3.076 N/A ASN 71.A N VAL 64.A O no hydrogen 2.876 N/A ASN 71.A ND2 VAL 64.A O no hydrogen 3.273 N/A ASN 71.A ND2 PHE 66.A O no hydrogen 2.917 N/A ILE 73.A N THR 62.A O no hydrogen 2.812 N/A TYR 74.A OH GLU 4.A OE2 no hydrogen 2.614 N/A ALA 76.A N GLY 60.A O no hydrogen 3.114 N/A TYR 78.A N TRP 75.A O no hydrogen 3.168 N/A ALA 79.A N ALA 76.A O no hydrogen 3.190 N/A ASP 80.A N ALA 76.A O no hydrogen 3.194 N/A ASP 80.A N ARG 77.A O no hydrogen 3.164 N/A TRP 81.A N ARG 77.A O no hydrogen 2.894 N/A TRP 81.A NE1 ASP 207.A OD1 no hydrogen 3.203 N/A LEU 82.A N TYR 78.A O no hydrogen 2.822 N/A PHE 83.A N ASP 80.A O no hydrogen 3.163 N/A THR 84.A N ASP 80.A O no hydrogen 2.975 N/A THR 84.A OG1 ASP 80.A O no hydrogen 3.170 N/A THR 84.A OG1 ASP 80.A OD1 no hydrogen 2.904 N/A THR 85.A N TRP 81.A O no hydrogen 3.143 N/A THR 85.A OG1 TRP 81.A O no hydrogen 2.524 N/A THR 85.A OG1 ASP 110.A OD1 no hydrogen 2.617 N/A THR 85.A OG1 ASP 110.A OD2 no hydrogen 3.099 N/A LEU 88.A N THR 84.A O no hydrogen 2.997 N/A LEU 89.A N THR 85.A O no hydrogen 3.119 N/A LEU 90.A N PRO 86.A O no hydrogen 2.891 N/A ASP 91.A N LEU 87.A O no hydrogen 3.037 N/A LEU 92.A N LEU 88.A O no hydrogen 3.237 N/A ALA 93.A N LEU 89.A O no hydrogen 2.892 N/A LEU 94.A N LEU 90.A O no hydrogen 2.901 N/A LEU 95.A N ASP 91.A O no hydrogen 3.054 N/A VAL 96.A N LEU 92.A O no hydrogen 3.264 N/A ALA 98.A N ALA 93.A O no hydrogen 2.944 N/A THR 102.A OG1 ASP 99.A OD1 no hydrogen 2.773 N/A ILE 103.A N ASP 99.A O no hydrogen 3.193 N/A LEU 104.A N GLN 100.A O no hydrogen 2.996 N/A ALA 105.A N GLY 101.A O no hydrogen 3.008 N/A LEU 106.A N THR 102.A O no hydrogen 2.833 N/A VAL 107.A N ILE 103.A O no hydrogen 2.830 N/A GLY 108.A N LEU 104.A O no hydrogen 2.935 N/A ALA 109.A N ALA 105.A O no hydrogen 2.995 N/A ASP 110.A N LEU 106.A O no hydrogen 2.894 N/A GLY 111.A N VAL 107.A O no hydrogen 2.905 N/A ILE 112.A N GLY 108.A O no hydrogen 3.067 N/A MET 113.A N ALA 109.A O no hydrogen 2.872 N/A ILE 114.A N ASP 110.A O no hydrogen 3.121 N/A GLY 115.A N GLY 111.A O no hydrogen 2.908 N/A THR 116.A N ILE 112.A O no hydrogen 2.836 N/A THR 116.A OG1 ILE 112.A O no hydrogen 2.826 N/A THR 116.A OG1 MET 113.A O no hydrogen 3.517 N/A GLY 117.A N MET 113.A O no hydrogen 3.054 N/A LEU 118.A N ILE 114.A O no hydrogen 2.969 N/A VAL 119.A N GLY 115.A O no hydrogen 3.061 N/A GLY 120.A N THR 116.A O no hydrogen 2.932 N/A ALA 121.A N GLY 117.A O no hydrogen 2.985 N/A LEU 122.A N VAL 119.A O no hydrogen 3.085 N/A THR 123.A N GLY 120.A O no hydrogen 3.355 N/A THR 123.A OG1 VAL 119.A O no hydrogen 2.739 N/A TYR 126.A OH GLY 190.A O no hydrogen 2.656 N/A ARG 129.A N VAL 125.A O no hydrogen 3.184 N/A ARG 129.A N TYR 126.A O no hydrogen 3.172 N/A ARG 129.A NE GLU 189.A O no hydrogen 3.046 N/A ARG 129.A NH1 ALA 121.A O no hydrogen 3.027 N/A ARG 129.A NH1 THR 123.A O no hydrogen 2.839 N/A ARG 129.A NH2 ALA 121.A O no hydrogen 3.041 N/A ARG 129.A NH2 GLU 189.A O no hydrogen 2.927 N/A PHE 130.A N SER 127.A O no hydrogen 3.102 N/A VAL 131.A N TYR 128.A O no hydrogen 2.933 N/A TRP 132.A N TYR 128.A O no hydrogen 3.171 N/A TRP 133.A N ARG 129.A O no hydrogen 3.172 N/A TRP 133.A NE1 PRO 181.A O no hydrogen 3.005 N/A ALA 134.A N PHE 130.A O no hydrogen 3.023 N/A ILE 135.A N VAL 131.A O no hydrogen 3.179 N/A SER 136.A N TRP 132.A O no hydrogen 2.952 N/A SER 136.A OG MET 113.A O no hydrogen 2.629 N/A THR 137.A N TRP 133.A O no hydrogen 2.964 N/A THR 137.A OG1 TRP 133.A O no hydrogen 2.983 N/A ALA 138.A N ALA 134.A O no hydrogen 3.067 N/A ALA 139.A N ILE 135.A O no hydrogen 3.021 N/A MET 140.A N SER 136.A O no hydrogen 3.006 N/A LEU 141.A N THR 137.A O no hydrogen 2.886 N/A TYR 142.A N ALA 138.A O no hydrogen 3.136 N/A TYR 142.A N ALA 139.A O no hydrogen 3.167 N/A ILE 143.A N ALA 139.A O no hydrogen 3.241 N/A LEU 144.A N MET 140.A O no hydrogen 2.911 N/A TYR 145.A N LEU 141.A O no hydrogen 2.963 N/A VAL 146.A N TYR 142.A O no hydrogen 2.974 N/A LEU 147.A N ILE 143.A O no hydrogen 2.948 N/A PHE 148.A N LEU 144.A O no hydrogen 2.979 N/A PHE 149.A N TYR 145.A O no hydrogen 2.713 N/A PHE 151.A N VAL 146.A O no hydrogen 2.877 N/A THR 152.A OG1 LEU 147.A O no hydrogen 3.398 N/A THR 152.A OG1 PHE 148.A O no hydrogen 2.949 N/A LYS 154.A N GLY 150.A O no hydrogen 3.055 N/A ALA 155.A N PHE 151.A O no hydrogen 2.739 N/A GLU 156.A N SER 153.A O no hydrogen 2.729 N/A SER 157.A N LYS 154.A O no hydrogen 3.235 N/A SER 157.A OG LYS 154.A O no hydrogen 2.788 N/A MET 158.A N ALA 155.A O no hydrogen 3.372 N/A ALA 163.A N ARG 159.A O no hydrogen 2.901 N/A SER 164.A N PRO 160.A O no hydrogen 2.636 N/A THR 165.A N GLU 161.A O no hydrogen 3.033 N/A THR 165.A OG1 GLU 161.A O no hydrogen 2.934 N/A PHE 166.A N VAL 162.A O no hydrogen 2.975 N/A LYS 167.A N ALA 163.A O no hydrogen 3.182 N/A VAL 168.A N SER 164.A O no hydrogen 3.423 N/A LEU 169.A N THR 165.A O no hydrogen 3.225 N/A ARG 170.A N PHE 166.A O no hydrogen 2.670 N/A ARG 170.A NE ASN 171.A OD1 no hydrogen 3.088 N/A ARG 170.A NH1 THR 152.A OG1 no hydrogen 2.772 N/A ARG 170.A NH2 ASN 171.A OD1 no hydrogen 2.919 N/A ASN 171.A N LYS 167.A O no hydrogen 2.776 N/A VAL 172.A N VAL 168.A O no hydrogen 2.839 N/A THR 173.A N LEU 169.A O no hydrogen 2.927 N/A THR 173.A OG1 LEU 169.A O no hydrogen 2.640 N/A VAL 174.A N ARG 170.A O no hydrogen 2.859 N/A VAL 175.A N ASN 171.A O no hydrogen 3.117 N/A LEU 176.A N VAL 172.A O no hydrogen 2.996 N/A TRP 177.A N THR 173.A O no hydrogen 2.853 N/A SER 178.A N VAL 174.A O no hydrogen 3.256 N/A SER 178.A OG VAL 174.A O no hydrogen 3.093 N/A SER 178.A OG VAL 175.A O no hydrogen 2.968 N/A ALA 179.A N LEU 176.A O no hydrogen 3.016 N/A TYR 180.A N TRP 177.A O no hydrogen 3.218 N/A TYR 180.A OH ASP 207.A OD1 no hydrogen 2.739 N/A VAL 182.A N ALA 179.A O no hydrogen 3.098 N/A VAL 183.A N ALA 179.A O no hydrogen 3.095 N/A TRP 184.A N TYR 180.A O no hydrogen 3.065 N/A TRP 184.A NE1 TYR 78.A OH no hydrogen 2.967 N/A LEU 185.A N PRO 181.A O no hydrogen 3.035 N/A ILE 186.A N VAL 182.A O no hydrogen 3.070 N/A GLY 187.A N TRP 184.A O no hydrogen 3.378 N/A SER 188.A N GLU 199.A OE1 no hydrogen 2.954 N/A SER 188.A OG GLU 199.A OE1 no hydrogen 2.949 N/A GLY 190.A N GLY 187.A O no hydrogen 3.176 N/A ALA 191.A N LEU 185.A O no hydrogen 2.781 N/A GLY 192.A N GLY 187.A O no hydrogen 2.758 N/A ILE 193.A N ILE 186.A O no hydrogen 2.877 N/A VAL 194.A N ILE 186.A O no hydrogen 2.813 N/A GLU 199.A N PRO 195.A O no hydrogen 2.815 N/A THR 200.A N LEU 196.A O no hydrogen 2.882 N/A THR 200.A OG1 LEU 196.A O no hydrogen 2.740 N/A LEU 201.A N ASN 197.A O no hydrogen 3.227 N/A LEU 202.A N ILE 198.A O no hydrogen 2.941 N/A PHE 203.A N GLU 199.A O no hydrogen 2.964 N/A MET 204.A N THR 200.A O no hydrogen 2.944 N/A VAL 205.A N LEU 201.A O no hydrogen 2.999 N/A LEU 206.A N LEU 202.A O no hydrogen 3.057 N/A ASP 207.A N PHE 203.A O no hydrogen 2.726 N/A VAL 208.A N MET 204.A O no hydrogen 3.007 N/A SER 209.A N VAL 205.A O no hydrogen 3.108 N/A SER 209.A OG VAL 205.A O no hydrogen 2.773 N/A ALA 210.A N LEU 206.A O no hydrogen 2.823 N/A LYS 211.A N ASP 207.A O no hydrogen 3.031 N/A VAL 212.A N VAL 208.A O no hydrogen 2.871 N/A GLY 213.A N VAL 208.A O no hydrogen 3.059 N/A PHE 214.A N SER 209.A O no hydrogen 3.079 N/A GLY 215.A N LYS 211.A O no hydrogen 2.761 N/A LEU 216.A N VAL 212.A O no hydrogen 2.935 N/A ILE 217.A N GLY 213.A O no hydrogen 3.217 N/A LEU 218.A N PHE 214.A O no hydrogen 2.887 N/A LEU 219.A N GLY 215.A O no hydrogen 2.801 N/A ARG 220.A N LEU 216.A O no hydrogen 3.201 N/A SER 221.A N LEU 218.A O no hydrogen 3.273 N/A SER 221.A OG LEU 218.A O no hydrogen 2.561 N/A PHE 225.A N ARG 222.A O no hydrogen 3.163 N/A GLY 226.A N ASP 31.A OD2 no hydrogen 3.246 N/A