Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bqy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE.A TYR 38.A O no hydrogen 2.756 N/A ARG 2.A NH1.A TYR 38.A O no hydrogen 3.407 N/A THR 5.A N ASP 1.A O no hydrogen 3.016 N/A THR 5.A OG1 ASP 1.A O no hydrogen 2.696 N/A VAL 6.A N ARG 2.A O no hydrogen 2.906 N/A GLN 7.A N ALA 3.A O no hydrogen 3.013 N/A GLN 7.A NE2 GLN 7.A O no hydrogen 3.179 N/A GLN 7.A NE2 ASP 11.A OD1 no hydrogen 3.351 N/A THR 8.A N ARG 4.A O no hydrogen 2.951 N/A THR 8.A OG1 ARG 4.A O no hydrogen 3.006 N/A ALA 9.A N THR 5.A O no hydrogen 2.954 N/A LEU 10.A N VAL 6.A O no hydrogen 2.929 N/A ASP 11.A N GLN 7.A O no hydrogen 2.918 N/A LEU 12.A N THR 8.A O no hydrogen 2.871 N/A LEU 13.A N ALA 9.A O no hydrogen 2.862 N/A ASN 14.A N LEU 10.A O no hydrogen 3.146 N/A GLU 15.A N ASP 11.A O no hydrogen 3.094 N/A SER 16.A N LEU 12.A O no hydrogen 3.010 N/A SER 16.A OG THR 20.A OG1 no hydrogen 2.927 N/A GLY 17.A N LEU 13.A O no hydrogen 2.831 N/A LEU 18.A N ASP 87.A OD2 no hydrogen 2.669 N/A THR 20.A N GLY 17.A O no hydrogen 3.386 N/A THR 20.A OG1 SER 16.A O no hydrogen 3.270 N/A THR 20.A OG1 SER 16.A OG no hydrogen 2.927 N/A THR 20.A OG1 GLY 17.A O no hydrogen 3.248 N/A LEU 21.A N LEU 18.A O no hydrogen 3.144 N/A ARG 24.A N THR 22.A OG1 no hydrogen 2.718 N/A ARG 24.A NH2 ARG 24.A O no hydrogen 3.230 N/A LEU 25.A N THR 22.A O no hydrogen 2.857 N/A GLN 27.A N ARG 23.A O no hydrogen 2.837 N/A ALA 28.A N ARG 24.A O no hydrogen 2.955 N/A VAL 30.A N ALA 26.A O no hydrogen 3.068 N/A ALA 34.A N GLN 31.A O no hydrogen 2.888 N/A TYR 36.A N ALA 32.A O no hydrogen 3.220 N/A ARG 37.A N ALA 34.A O no hydrogen 3.104 N/A TYR 38.A N LEU 35.A O no hydrogen 3.031 N/A PHE 39.A N LEU 35.A O no hydrogen 2.870 N/A LYS 42.A NZ LEU 21.A O no hydrogen 3.353 N/A GLN 43.A NE2.B THR 47.A OG1 no hydrogen 3.256 N/A ASP 44.A N ALA 41.A O no hydrogen 3.041 N/A LEU 45.A N ALA 41.A O no hydrogen 3.366 N/A LEU 46.A N LYS 42.A O no hydrogen 2.866 N/A THR 47.A N GLN 43.A O no hydrogen 2.859 N/A THR 47.A OG1 GLN 43.A O no hydrogen 2.860 N/A THR 47.A OG1 THR 95.A OG1 no hydrogen 3.285 N/A ALA 48.A N ASP 44.A O no hydrogen 3.019 N/A GLU 50.A N THR 47.A O no hydrogen 3.005 N/A HIS 51.A N ALA 48.A O no hydrogen 2.960 N/A ASP 53.A N HIS 51.A O no hydrogen 3.136 N/A VAL 55.A N VAL 52.A O no hydrogen 3.043 N/A ASP 57.A N GLY 54.A O no hydrogen 3.097 N/A ALA 58.A N VAL 55.A O no hydrogen 3.007 N/A GLY 60.A N ASP 57.A O no hydrogen 3.113 N/A ALA 61.A N ASP 64.A OD2.A no hydrogen 2.872 N/A ASP 64.A N ALA 61.A O no hydrogen 3.010 N/A ASP 66.A N GLU 69.A OE1.B no hydrogen 3.034 N/A SER 68.A N ASP 66.A OD2 no hydrogen 3.347 N/A SER 68.A OG ASP 66.A OD1 no hydrogen 3.023 N/A SER 68.A OG ASP 66.A OD2 no hydrogen 2.652 N/A GLU 69.A N ASP 66.A OD1 no hydrogen 2.905 N/A ARG 70.A N ASP 66.A O no hydrogen 2.980 N/A ARG 70.A NE ALA 59.A O no hydrogen 2.897 N/A ARG 70.A NH2 GLY 60.A O no hydrogen 3.074 N/A THR 71.A N TRP 67.A O no hydrogen 2.893 N/A THR 71.A OG1 TRP 67.A O no hydrogen 2.758 N/A ALA 72.A N SER 68.A O no hydrogen 2.878 N/A ARG 73.A N GLU 69.A O no hydrogen 2.908 N/A ARG 73.A NE ALA 58.A O no hydrogen 2.838 N/A ARG 73.A NH1 ASP 64.A O no hydrogen 2.892 N/A ARG 73.A NH2 ALA 59.A O no hydrogen 2.753 N/A ARG 73.A NH2 ASP 64.A O no hydrogen 2.732 N/A LEU 74.A N ARG 70.A O no hydrogen 3.120 N/A ALA 75.A N THR 71.A O no hydrogen 3.105 N/A ARG 76.A N ALA 72.A O no hydrogen 2.858 N/A ARG 76.A NE GLU 187.A OE1 no hydrogen 3.270 N/A ARG 76.A NE GLU 187.A OE2 no hydrogen 2.626 N/A ARG 76.A NH1 GLU 69.A OE2.A no hydrogen 2.979 N/A ARG 76.A NH2 GLU 187.A OE1 no hydrogen 2.881 N/A ALA 77.A N ARG 73.A O no hydrogen 2.901 N/A LEU 78.A N LEU 74.A O no hydrogen 2.982 N/A ARG 79.A N ALA 75.A O no hydrogen 2.989 N/A ARG 79.A NE HIS 137.A NE2 no hydrogen 3.290 N/A ARG 79.A NE GLU 141.A OE1 no hydrogen 3.288 N/A ARG 79.A NH2 GLU 141.A OE1 no hydrogen 2.881 N/A ARG 79.A NH2 THR 183.A OG1 no hydrogen 3.260 N/A ALA 80.A N ARG 76.A O no hydrogen 2.861 N/A ALA 81.A N ALA 77.A O no hydrogen 2.918 N/A LEU 82.A N LEU 78.A O no hydrogen 3.059 N/A LEU 83.A N ARG 79.A O no hydrogen 2.880 N/A ALA 84.A N ALA 80.A O no hydrogen 3.036 N/A HIS 85.A N LEU 82.A O no hydrogen 3.414 N/A ARG 86.A N ASN 14.A OD1 no hydrogen 2.969 N/A GLY 88.A N HIS 85.A O no hydrogen 2.873 N/A ALA 89.A N GLN 142.A OE1 no hydrogen 2.943 N/A ARG 90.A NH2 ASP 19.A OD1 no hydrogen 2.766 N/A VAL 91.A N ASP 87.A O no hydrogen 3.174 N/A PHE 92.A N GLY 88.A O no hydrogen 2.949 N/A ALA 93.A N ALA 89.A O no hydrogen 2.755 N/A GLY 94.A N ARG 90.A O no hydrogen 3.080 N/A THR 95.A N PHE 92.A O no hydrogen 3.240 N/A THR 95.A OG1 THR 47.A OG1 no hydrogen 3.285 N/A THR 95.A OG1 ALA 97.A O no hydrogen 3.403 N/A HIS 96.A N THR 47.A OG1 no hydrogen 3.020 N/A ASN 101.A N GLU 50.A OE2 no hydrogen 2.624 N/A ASN 101.A ND2 GLU 50.A O no hydrogen 2.819 N/A LEU 103.A N GLY 99.A O no hydrogen 2.830 N/A ARG 104.A N PRO 100.A O no hydrogen 2.804 N/A ARG 104.A NH2.A ASN 101.A OD1 no hydrogen 2.593 N/A ARG 104.A NH2.B ASP 57.A OD1 no hydrogen 2.483 N/A PHE 105.A N ASN 101.A O no hydrogen 3.171 N/A ALA 106.A N THR 102.A O no hydrogen 2.913 N/A ASP 107.A N LEU 103.A O no hydrogen 2.818 N/A GLY 108.A N ARG 104.A O no hydrogen 2.868 N/A LEU 109.A N PHE 105.A O no hydrogen 2.938 N/A VAL 110.A N ALA 106.A O no hydrogen 2.994 N/A GLY 111.A N ASP 107.A O no hydrogen 2.836 N/A VAL 112.A N GLY 108.A O no hydrogen 2.913 N/A LEU 113.A N LEU 109.A O no hydrogen 3.320 N/A ARG 114.A N VAL 110.A O no hydrogen 2.859 N/A ARG 114.A NE ASP 120.A OD1 no hydrogen 2.726 N/A ARG 114.A NH2 ASP 120.A OD1 no hydrogen 2.889 N/A GLU 115.A N GLY 111.A O no hydrogen 2.903 N/A ALA 116.A N LEU 113.A O no hydrogen 3.036 N/A GLY 117.A N ARG 114.A O no hydrogen 3.065 N/A PHE 118.A N LEU 113.A O no hydrogen 2.985 N/A ALA 123.A N GLY 119.A O no hydrogen 2.938 N/A ALA 124.A N ASP 120.A O no hydrogen 3.007 N/A ARG 125.A N GLY 121.A O no hydrogen 2.927 N/A ARG 125.A NH2 ASP 122.A OD1 no hydrogen 2.847 N/A ALA 126.A N ASP 122.A O no hydrogen 2.826 N/A LEU 127.A N ALA 123.A O no hydrogen 3.116 N/A TYR 128.A N ALA 124.A O no hydrogen 3.403 N/A SER 129.A N ARG 125.A O no hydrogen 2.985 N/A SER 129.A OG ARG 125.A O no hydrogen 3.076 N/A VAL 130.A N ALA 126.A O no hydrogen 2.847 N/A ALA 131.A N LEU 127.A O no hydrogen 2.881 N/A ASN 132.A N TYR 128.A O no hydrogen 2.794 N/A PHE 133.A N SER 129.A O no hydrogen 2.922 N/A THR 134.A N VAL 130.A O no hydrogen 2.871 N/A THR 134.A OG1 VAL 130.A O no hydrogen 2.708 N/A VAL 135.A N ALA 131.A O no hydrogen 2.901 N/A GLY 136.A N ASN 132.A O no hydrogen 2.931 N/A HIS 137.A N PHE 133.A O no hydrogen 2.802 N/A HIS 137.A NE2 GLU 141.A OE1 no hydrogen 3.056 N/A THR 138.A N THR 134.A O no hydrogen 2.966 N/A THR 138.A OG1 THR 134.A O no hydrogen 2.721 N/A LEU 139.A N VAL 135.A O no hydrogen 2.832 N/A GLU 140.A N GLY 136.A O no hydrogen 3.137 N/A GLU 141.A N HIS 137.A O no hydrogen 2.849 N/A GLN 142.A N THR 138.A O no hydrogen 2.838 N/A GLN 142.A NE2 LEU 82.A O no hydrogen 2.993 N/A GLN 142.A NE2 HIS 85.A O no hydrogen 2.926 N/A ALA 143.A N LEU 139.A O no hydrogen 2.920 N/A ALA 144.A N GLU 140.A O no hydrogen 3.153 N/A LEU 145.A N GLU 141.A O no hydrogen 3.166 N/A LEU 145.A N GLN 142.A O no hydrogen 3.235 N/A THR 146.A N GLN 142.A O no hydrogen 3.094 N/A THR 146.A OG1 GLN 142.A O no hydrogen 2.725 N/A THR 146.A OG1 ALA 143.A O no hydrogen 3.484 N/A GLY 149.A N THR 146.A O no hydrogen 2.655 N/A GLY 150.A N ASP 154.A OD2 no hydrogen 2.745 N/A ALA 156.A N ASP 154.A OD1 no hydrogen 3.070 N/A LEU 158.A N ASP 154.A O no hydrogen 2.956 N/A ARG 159.A N GLU 155.A O no hydrogen 3.371 N/A ARG 159.A NH2 THR 178.A OG1 no hydrogen 2.649 N/A ALA 161.A N THR 157.A O no hydrogen 3.374 N/A VAL 162.A N LEU 158.A O no hydrogen 3.125 N/A THR 166.A N ALA 163.A O no hydrogen 3.265 N/A TYR 167.A N ALA 163.A O no hydrogen 2.875 N/A ALA 171.A N TYR 167.A O no hydrogen 2.799 N/A ALA 172.A N PRO 168.A O no hydrogen 2.846 N/A THR 173.A N HIS 169.A O no hydrogen 3.187 N/A THR 173.A OG1 HIS 169.A O no hydrogen 2.880 N/A LEU 174.A N ALA 171.A O no hydrogen 3.308 N/A VAL 176.A N THR 173.A O no hydrogen 2.890 N/A LEU 177.A N THR 173.A O no hydrogen 3.113 N/A THR 178.A N LEU 174.A O no hydrogen 3.020 N/A THR 178.A OG1 LEU 174.A O no hydrogen 2.755 N/A SER 179.A N VAL 176.A O no hydrogen 3.174 N/A ASP 181.A N SER 179.A OG no hydrogen 3.409 N/A ALA 184.A N ASP 181.A OD1 no hydrogen 3.019 N/A HIS 185.A N ASP 181.A O no hydrogen 3.220 N/A PHE 186.A N PHE 182.A O no hydrogen 2.878 N/A GLU 187.A N THR 183.A O no hydrogen 2.905 N/A PHE 188.A N ALA 184.A O no hydrogen 3.005 N/A GLY 189.A N HIS 185.A O no hydrogen 3.068 N/A LEU 190.A N PHE 186.A O no hydrogen 2.912 N/A ARG 191.A N.A GLU 187.A O no hydrogen 2.828 N/A ARG 191.A N.B GLU 187.A O no hydrogen 2.844 N/A LEU 192.A N PHE 188.A O no hydrogen 2.945 N/A LEU 193.A N GLY 189.A O no hydrogen 3.082 N/A LEU 194.A N LEU 190.A O no hydrogen 2.909 N/A ASP 195.A N ARG 191.A O.A no hydrogen 2.829 N/A ASP 195.A N ARG 191.A O.B no hydrogen 2.884 N/A GLY 196.A N LEU 192.A O no hydrogen 2.852 N/A LEU 197.A N LEU 193.A O no hydrogen 2.824 N/A ARG 198.A N LEU 194.A O no hydrogen 2.867 N/A ARG 198.A NH2.B ASP 66.A OD2 no hydrogen 3.012 N/A ARG 198.A NH2.B SER 68.A OG no hydrogen 3.183 N/A ALA 199.A N ASP 195.A O no hydrogen 2.963 N/A VAL 200.A N GLY 196.A O no hydrogen 3.002 N/A ARG 201.A N LEU 197.A O no hydrogen 2.874 N/A ARG 201.A NH1 ALA 116.A O no hydrogen 2.737 N/A