Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6xqr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N GLY 31.A O no hydrogen 3.028 N/A ASN 5.A N THR 33.A O no hydrogen 2.789 N/A SER 7.A N ASN 5.A OD1 no hydrogen 3.128 N/A SER 7.A OG ASN 5.A OD1 no hydrogen 2.516 N/A SER 7.A OG GLN 236.A OE1 no hydrogen 2.936 N/A TRP 8.A NE1 GLU 237.A OE2 no hydrogen 2.779 N/A ASN 9.A N LYS 6.A O no hydrogen 3.029 N/A ALA 10.A N SER 7.A O no hydrogen 3.069 N/A HIS 11.A N TRP 8.A O no hydrogen 2.952 N/A THR 13.A N ASN 9.A O no hydrogen 2.902 N/A THR 13.A OG1 ASN 9.A O no hydrogen 3.104 N/A GLU 14.A N ALA 10.A O no hydrogen 2.912 N/A HIS 15.A N PHE 12.A O no hydrogen 3.163 N/A LYS 16.A N THR 13.A O no hydrogen 3.013 N/A SER 17.A N PHE 12.A O no hydrogen 2.799 N/A SER 17.A OG HIS 15.A O no hydrogen 3.035 N/A VAL 20.A N ASN 214.A O no hydrogen 2.836 N/A VAL 21.A N ASN 34.A OD1 no hydrogen 2.761 N/A VAL 22.A N ALA 212.A O no hydrogen 2.905 N/A LEU 23.A N PHE 32.A O no hydrogen 2.794 N/A TRP 24.A N PHE 210.A O no hydrogen 2.745 N/A ASN 25.A N GLN 30.A O no hydrogen 2.781 N/A GLU 26.A N VAL 208.A O no hydrogen 3.175 N/A ASN 27.A N ASN 207.A OD1 no hydrogen 2.922 N/A ASN 27.A ND2 ASP 206.A O no hydrogen 2.727 N/A LYS 28.A N ASN 25.A OD1 no hydrogen 3.109 N/A GLN 29.A N GLU 26.A O no hydrogen 3.224 N/A GLN 29.A NE2 GLU 26.A O no hydrogen 2.846 N/A GLN 30.A N ASN 25.A O no hydrogen 3.279 N/A GLY 31.A N MET 1.A O no hydrogen 2.626 N/A PHE 32.A N LEU 23.A O no hydrogen 2.859 N/A THR 33.A N GLN 3.A O no hydrogen 3.072 N/A THR 33.A OG1 VAL 21.A O no hydrogen 2.934 N/A ASN 34.A ND2 ASN 9.A OD1 no hydrogen 2.956 N/A ASN 34.A ND2 GLY 19.A O no hydrogen 2.991 N/A ASN 35.A N THR 33.A OG1 no hydrogen 3.336 N/A LEU 36.A N GLU 4.A OE1 no hydrogen 2.980 N/A ARG 38.A N ASN 35.A OD1 no hydrogen 2.952 N/A ARG 38.A NE ASN 214.A OD1 no hydrogen 2.824 N/A ARG 38.A NH1 ASN 214.A OD1 no hydrogen 2.948 N/A ARG 38.A NH1 ASP 216.A OD1 no hydrogen 3.016 N/A ARG 38.A NH2 ASP 216.A OD1 no hydrogen 3.002 N/A ALA 39.A N ASN 35.A O no hydrogen 2.876 N/A ASN 40.A N LYS 37.A O no hydrogen 3.069 N/A ASN 40.A ND2 LEU 36.A O no hydrogen 3.090 N/A GLN 41.A N ARG 38.A O no hydrogen 3.081 N/A PHE 43.A N ILE 140.A O no hydrogen 2.904 N/A ALA 46.A N TRP 133.A O no hydrogen 3.019 N/A THR 48.A N PRO 45.A O no hydrogen 3.163 N/A THR 48.A OG1 PRO 45.A O no hydrogen 2.600 N/A PHE 49.A N ALA 46.A O no hydrogen 3.027 N/A ASN 52.A N PHE 49.A O no hydrogen 2.901 N/A ASN 52.A ND2 TYR 99.A O no hydrogen 3.421 N/A SER 53.A OG TYR 99.A OH no hydrogen 2.643 N/A LEU 54.A N ILE 50.A O no hydrogen 3.129 N/A ILE 55.A N PRO 51.A O no hydrogen 2.911 N/A ALA 56.A N ASN 52.A O no hydrogen 2.998 N/A LEU 57.A N SER 53.A O no hydrogen 2.935 N/A ASP 58.A N LEU 54.A O no hydrogen 2.992 N/A LEU 59.A N ILE 55.A O no hydrogen 3.058 N/A GLY 60.A N LEU 57.A O no hydrogen 3.187 N/A VAL 62.A N ALA 56.A O no hydrogen 3.061 N/A LYS 63.A N GLN 67.A OE1 no hydrogen 2.696 N/A GLU 65.A N GLU 65.A OE1 no hydrogen 2.680 N/A HIS 66.A N ASP 64.A OD2 no hydrogen 2.647 N/A PHE 69.A N HIS 85.A O no hydrogen 2.650 N/A LYS 70.A NZ ASP 84.A OD1 no hydrogen 3.005 N/A TRP 71.A N ASP 84.A OD2 no hydrogen 2.769 N/A TRP 71.A NE1 GLN 74.A O no hydrogen 2.945 N/A GLN 74.A N ASP 72.A OD1 no hydrogen 2.770 N/A ARG 76.A N ASN 82.A OD1 no hydrogen 2.850 N/A ARG 76.A NH1 ASP 72.A OD2 no hydrogen 2.536 N/A ARG 76.A NH2 ASP 72.A OD1 no hydrogen 3.117 N/A ARG 76.A NH2 ASP 72.A OD2 no hydrogen 3.387 N/A TRP 81.A N ILE 78.A O no hydrogen 2.975 N/A TRP 81.A NE1 TYR 93.A O no hydrogen 2.993 N/A ASN 82.A N ALA 79.A O no hydrogen 2.958 N/A ASN 82.A ND2 ARG 76.A O no hydrogen 3.034 N/A HIS 85.A N PHE 69.A O no hydrogen 3.116 N/A HIS 85.A ND1 THR 89.A OG1 no hydrogen 2.760 N/A HIS 85.A NE2 THR 80.A O no hydrogen 2.724 N/A ASN 86.A N THR 89.A OG1 no hydrogen 3.220 N/A THR 89.A N ASN 86.A OD1 no hydrogen 3.013 N/A THR 89.A OG1 HIS 85.A ND1 no hydrogen 2.760 N/A THR 89.A OG1 ASN 86.A O no hydrogen 3.408 N/A THR 89.A OG1 ASN 86.A OD1 no hydrogen 3.569 N/A ALA 90.A N ASN 86.A O no hydrogen 2.788 N/A MET 91.A N LEU 87.A O no hydrogen 3.012 N/A LYS 92.A N ILE 88.A O no hydrogen 2.974 N/A LYS 92.A NZ TYR 93.A OH no hydrogen 3.454 N/A TYR 93.A N THR 89.A O no hydrogen 2.987 N/A SER 94.A N MET 91.A O no hydrogen 3.129 N/A VAL 95.A N ALA 90.A O no hydrogen 2.918 N/A VAL 98.A N VAL 95.A O no hydrogen 3.175 N/A TYR 99.A OH SER 53.A OG no hydrogen 2.643 N/A GLN 100.A N VAL 96.A O no hydrogen 2.890 N/A GLN 100.A NE2 ASP 130.A O no hydrogen 2.847 N/A GLU 101.A N PRO 97.A O no hydrogen 3.173 N/A PHE 102.A N VAL 98.A O no hydrogen 3.110 N/A ALA 103.A N TYR 99.A O no hydrogen 2.958 N/A ARG 104.A N GLN 100.A O no hydrogen 3.067 N/A ARG 104.A NH1 ASP 130.A OD2 no hydrogen 2.943 N/A ARG 104.A NH2 GLU 101.A OE1 no hydrogen 2.896 N/A GLN 105.A N GLU 101.A O no hydrogen 3.025 N/A GLN 105.A NE2 GLU 101.A OE2 no hydrogen 2.635 N/A ILE 106.A N PHE 102.A O no hydrogen 2.817 N/A GLY 107.A N ALA 103.A O no hydrogen 2.907 N/A GLU 108.A N GLU 108.A OE2 no hydrogen 2.589 N/A MET 111.A N GLY 107.A O no hydrogen 2.933 N/A SER 112.A N GLU 108.A O no hydrogen 2.920 N/A LYS 113.A N ALA 109.A O no hydrogen 3.100 N/A MET 114.A N ARG 110.A O no hydrogen 3.023 N/A LEU 115.A N MET 111.A O no hydrogen 3.010 N/A HIS 116.A N SER 112.A O no hydrogen 2.938 N/A HIS 116.A ND1 GLU 123.A OE2 no hydrogen 3.276 N/A ALA 117.A N LYS 113.A O no hydrogen 2.994 N/A PHE 118.A N MET 114.A O no hydrogen 2.765 N/A ASP 119.A N HIS 116.A O no hydrogen 3.029 N/A TYR 120.A N LEU 115.A O no hydrogen 3.149 N/A ASN 122.A N ARG 139.A O no hydrogen 3.004 N/A ASN 122.A ND2 GLY 137.A O no hydrogen 2.996 N/A GLU 123.A N TYR 120.A O no hydrogen 2.934 N/A ASP 124.A N ASN 122.A OD1 no hydrogen 3.361 N/A SER 126.A N ASP 124.A OD2 no hydrogen 2.776 N/A SER 126.A OG ASP 124.A OD2 no hydrogen 3.043 N/A ASN 128.A ND2 SER 131.A OG no hydrogen 3.410 N/A SER 131.A N ASN 128.A O no hydrogen 3.212 N/A SER 131.A OG ASP 135.A OD1 no hydrogen 2.808 N/A LEU 134.A N SER 131.A O no hydrogen 2.917 N/A ASP 135.A N SER 131.A O no hydrogen 3.038 N/A GLY 136.A N PHE 132.A O no hydrogen 2.836 N/A GLY 137.A N SER 126.A O no hydrogen 2.759 N/A ARG 139.A N ASN 122.A OD1 no hydrogen 2.937 N/A ARG 139.A NH1 GLY 136.A O no hydrogen 2.865 N/A ARG 139.A NH1 ILE 138.A O no hydrogen 2.864 N/A ILE 140.A N PHE 43.A O no hydrogen 2.764 N/A SER 141.A N GLU 144.A OE1 no hydrogen 2.826 N/A SER 141.A OG THR 143.A OG1 no hydrogen 2.960 N/A THR 143.A N ALA 39.A O no hydrogen 3.123 N/A THR 143.A OG1 ASN 40.A OD1 no hydrogen 2.893 N/A THR 143.A OG1 SER 141.A OG no hydrogen 2.960 N/A GLU 144.A N SER 141.A OG no hydrogen 2.839 N/A GLN 145.A N SER 141.A O no hydrogen 2.810 N/A GLN 145.A NE2 THR 48.A OG1 no hydrogen 3.095 N/A ILE 146.A N ALA 142.A O no hydrogen 3.120 N/A SER 147.A N THR 143.A O no hydrogen 2.962 N/A PHE 148.A N GLU 144.A O no hydrogen 3.034 N/A LEU 149.A N GLN 145.A O no hydrogen 2.785 N/A ARG 150.A N ILE 146.A O no hydrogen 2.828 N/A ARG 150.A NE GLU 26.A OE2 no hydrogen 2.812 N/A ARG 150.A NH1 GLU 26.A OE1 no hydrogen 2.810 N/A ARG 150.A NH1 GLU 26.A OE2 no hydrogen 3.430 N/A LYS 151.A N SER 147.A O no hydrogen 3.484 N/A LEU 152.A N PHE 148.A O no hydrogen 3.207 N/A TYR 153.A N LEU 149.A O no hydrogen 2.861 N/A HIS 154.A N ARG 150.A O no hydrogen 3.092 N/A HIS 154.A NE2 GLU 26.A OE1 no hydrogen 2.869 N/A ASN 155.A N LEU 152.A O no hydrogen 3.090 N/A LYS 156.A N LYS 151.A O no hydrogen 2.783 N/A LYS 156.A NZ ASN 155.A O no hydrogen 3.262 N/A LEU 157.A N GLN 164.A OE1 no hydrogen 3.071 N/A SER 160.A N ASP 58.A OD2 no hydrogen 2.754 N/A SER 160.A OG SER 163.A OG no hydrogen 2.724 N/A ARG 162.A NH1 LYS 63.A O no hydrogen 2.727 N/A SER 163.A N SER 160.A OG no hydrogen 2.813 N/A SER 163.A OG ASP 58.A OD2 no hydrogen 3.520 N/A SER 163.A OG SER 160.A OG no hydrogen 2.724 N/A GLN 164.A N SER 160.A O no hydrogen 3.214 N/A GLN 164.A NE2 LEU 157.A O no hydrogen 3.424 N/A GLN 164.A NE2 VAL 159.A O no hydrogen 3.170 N/A GLN 164.A NE2 SER 160.A O no hydrogen 3.544 N/A ARG 165.A N GLU 161.A O no hydrogen 2.870 N/A ARG 165.A NE GLU 161.A OE2 no hydrogen 2.722 N/A ARG 165.A NH2 GLU 161.A OE2 no hydrogen 3.268 N/A ILE 166.A N ARG 162.A O no hydrogen 2.977 N/A VAL 167.A N SER 163.A O no hydrogen 3.132 N/A LYS 168.A N GLN 164.A O no hydrogen 3.025 N/A LYS 168.A NZ LEU 152.A O no hydrogen 3.136 N/A LYS 168.A NZ TYR 153.A O no hydrogen 2.991 N/A LYS 168.A NZ ASN 155.A OD1 no hydrogen 2.796 N/A GLN 169.A N ARG 165.A O no hydrogen 2.983 N/A ALA 170.A N ILE 166.A O no hydrogen 2.946 N/A MET 171.A N VAL 167.A O no hydrogen 2.850 N/A LEU 172.A N GLN 169.A O no hydrogen 3.111 N/A THR 173.A N ILE 181.A O no hydrogen 2.942 N/A THR 173.A OG1 MET 171.A O no hydrogen 3.010 N/A GLU 174.A N ILE 181.A O no hydrogen 3.385 N/A ASN 176.A N TYR 179.A O no hydrogen 3.118 N/A ASP 178.A N ASN 176.A OD1 no hydrogen 2.769 N/A TYR 179.A N ASN 176.A OD1 no hydrogen 3.095 N/A TYR 179.A OH GLU 174.A OE2 no hydrogen 2.433 N/A ILE 180.A N GLU 203.A O no hydrogen 3.009 N/A ILE 181.A N GLU 174.A O no hydrogen 2.841 N/A ARG 182.A N TRP 201.A O no hydrogen 3.139 N/A ARG 182.A NE GLU 203.A OE2 no hydrogen 2.790 N/A ARG 182.A NH1 LYS 168.A O no hydrogen 3.003 N/A ALA 183.A N MET 171.A O no hydrogen 2.942 N/A LYS 184.A N VAL 199.A O no hydrogen 2.809 N/A LYS 184.A NZ SER 94.A OG no hydrogen 2.824 N/A LYS 184.A NZ THR 185.A O no hydrogen 2.901 N/A GLY 186.A N TRP 197.A O no hydrogen 3.234 N/A TYR 187.A OH MET 217.A O no hydrogen 2.923 N/A SER 188.A N ILE 195.A O no hydrogen 2.829 N/A ARG 190.A NH1 ASP 135.A OD2 no hydrogen 2.994 N/A LYS 194.A N GLU 192.A OE2 no hydrogen 3.218 N/A LYS 194.A NZ GLU 192.A OE1 no hydrogen 2.787 N/A ILE 195.A N SER 188.A O no hydrogen 3.150 N/A GLY 196.A N MET 215.A O no hydrogen 2.845 N/A TRP 197.A N GLY 186.A O no hydrogen 2.721 N/A TRP 197.A NE1 LEU 44.A O no hydrogen 2.770 N/A TRP 198.A N MET 213.A O no hydrogen 2.953 N/A VAL 199.A N LYS 184.A O no hydrogen 3.204 N/A GLY 200.A N PHE 211.A O no hydrogen 2.926 N/A TRP 201.A N ARG 182.A O no hydrogen 2.836 N/A TRP 201.A NE1 GLU 203.A OE2 no hydrogen 3.047 N/A VAL 202.A N TRP 209.A O no hydrogen 2.780 N/A GLU 203.A N ILE 180.A O no hydrogen 2.654 N/A LEU 204.A N ASN 207.A O no hydrogen 2.879 N/A ASN 207.A ND2 ASN 25.A OD1 no hydrogen 2.639 N/A VAL 208.A N ASN 207.A OD1 no hydrogen 2.861 N/A TRP 209.A N VAL 202.A O no hydrogen 2.952 N/A PHE 210.A N TRP 24.A O no hydrogen 2.900 N/A PHE 211.A N GLY 200.A O no hydrogen 2.919 N/A ALA 212.A N VAL 22.A O no hydrogen 2.921 N/A MET 213.A N TRP 198.A O no hydrogen 2.945 N/A ASN 214.A N VAL 20.A O no hydrogen 3.109 N/A MET 215.A N GLY 196.A O no hydrogen 2.983 N/A ASP 216.A N GLN 18.A O no hydrogen 2.811 N/A MET 217.A N LYS 194.A O no hydrogen 2.936 N/A ASP 221.A N THR 219.A OG1 no hydrogen 3.413 N/A LEU 223.A N SER 220.A O no hydrogen 3.222 N/A LEU 225.A N GLY 222.A O no hydrogen 2.931 N/A ARG 226.A N LEU 223.A O no hydrogen 3.112 N/A ARG 226.A NE LEU 223.A O no hydrogen 2.892 N/A ARG 226.A NH2 GLY 186.A O no hydrogen 2.792 N/A GLN 227.A N GLN 227.A OE1 no hydrogen 2.794 N/A ALA 228.A N GLY 224.A O no hydrogen 2.982 N/A ILE 229.A N LEU 225.A O no hydrogen 2.836 N/A THR 230.A N ARG 226.A O no hydrogen 3.295 N/A THR 230.A OG1 ARG 226.A O no hydrogen 2.892 N/A LYS 231.A N GLN 227.A O no hydrogen 3.172 N/A LYS 231.A NZ GLU 174.A OE1 no hydrogen 2.797 N/A LYS 231.A NZ GLU 174.A OE2 no hydrogen 3.099 N/A GLU 232.A N ALA 228.A O no hydrogen 3.100 N/A VAL 233.A N ILE 229.A O no hydrogen 3.053 N/A LEU 234.A N THR 230.A O no hydrogen 2.862 N/A LYS 235.A N LYS 231.A O no hydrogen 2.704 N/A LYS 235.A NZ PRO 241.A O no hydrogen 3.518 N/A GLN 236.A N GLU 232.A O no hydrogen 2.895 N/A GLU 237.A N VAL 233.A O no hydrogen 2.946 N/A LYS 238.A N LYS 235.A O no hydrogen 3.259 N/A LYS 238.A NZ LYS 235.A O no hydrogen 3.067 N/A ILE 239.A N LEU 234.A O no hydrogen 2.957 N/A ILE 240.A N LEU 234.A O no hydrogen 3.474 N/A