Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8a6o_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N HIS 3.A ND1.C no hydrogen 2.845 N/A MET 7.A N ASP 5.A OD1 no hydrogen 2.794 N/A SER 9.A N ASP 5.A O no hydrogen 3.055 N/A SER 9.A OG ASP 5.A O no hydrogen 3.145 N/A LYS 10.A N PRO 6.A O no hydrogen 3.112 N/A LYS 10.A N MET 7.A O no hydrogen 3.224 N/A LYS 10.A NZ SER 90.A O no hydrogen 3.040 N/A LYS 10.A NZ MET 92.A O no hydrogen 3.221 N/A GLU 12.A N VAL 8.A O no hydrogen 2.960 N/A GLU 13.A N SER 9.A O no hydrogen 2.994 N/A LEU 14.A N GLY 11.A O no hydrogen 3.263 N/A PHE 15.A N GLU 12.A O no hydrogen 2.950 N/A THR 16.A OG1 GLU 13.A O no hydrogen 3.099 N/A VAL 19.A N GLY 42.A O no hydrogen 2.921 N/A ILE 21.A N GLY 40.A O no hydrogen 2.869 N/A LEU 22.A N LEU 123.A O no hydrogen 2.980 N/A VAL 23.A N GLY 38.A O no hydrogen 2.863 N/A GLU 24.A N.A ASN 125.A O no hydrogen 2.962 N/A GLU 24.A N.B ASN 125.A O no hydrogen 2.997 N/A LEU 25.A N.A VAL 36.A O no hydrogen 2.921 N/A LEU 25.A N.B VAL 36.A O no hydrogen 2.878 N/A ASP 26.A N ILE 127.A O no hydrogen 3.025 N/A GLY 27.A N PHE 34.A O no hydrogen 2.804 N/A ASP 28.A N LEU 129.A O no hydrogen 3.079 N/A VAL 29.A N HIS 32.A O no hydrogen 2.970 N/A ASN 30.A N GLY 131.A O no hydrogen 3.047 N/A ASN 30.A ND2 PHE 134.A O no hydrogen 2.863 N/A GLY 31.A N ASP 28.A OD1 no hydrogen 2.980 N/A HIS 32.A N VAL 29.A O no hydrogen 2.881 N/A LYS 33.A NZ ASP 28.A OD2 no hydrogen 2.732 N/A PHE 34.A N GLY 27.A O no hydrogen 2.962 N/A SER 35.A N THR 57.A OG1 no hydrogen 3.193 N/A SER 35.A OG ASP 26.A OD1.A no hydrogen 2.924 N/A SER 35.A OG ASP 26.A OD1.B no hydrogen 3.542 N/A VAL 36.A N LEU 25.A O.A no hydrogen 2.948 N/A VAL 36.A N LEU 25.A O.B no hydrogen 2.900 N/A SER 37.A N.A ILE 54.A O no hydrogen 2.891 N/A SER 37.A N.C ILE 54.A O no hydrogen 2.903 N/A SER 37.A OG.A GLU 24.A OE2.B no hydrogen 3.076 N/A SER 37.A OG.C GLU 24.A OE1.B no hydrogen 3.012 N/A SER 37.A OG.C GLU 24.A OE2.B no hydrogen 3.280 N/A GLY 38.A N VAL 23.A O no hydrogen 2.816 N/A GLU 39.A N LYS 52.A O no hydrogen 3.071 N/A GLY 40.A N ILE 21.A O no hydrogen 3.109 N/A GLU 41.A N THR 50.A O no hydrogen 2.948 N/A GLY 42.A N VAL 19.A O no hydrogen 2.866 N/A ASP 43.A N LYS 48.A O no hydrogen 2.733 N/A THR 45.A N ASP 43.A OD1 no hydrogen 3.233 N/A TYR 46.A N ASP 43.A O no hydrogen 3.152 N/A GLY 47.A N ALA 44.A O no hydrogen 3.128 N/A LYS 48.A N ASP 43.A O no hydrogen 3.032 N/A LEU 49.A N GLU 226.A O no hydrogen 2.873 N/A THR 50.A N GLU 41.A O no hydrogen 2.931 N/A THR 50.A OG1.A GLU 41.A O no hydrogen 3.458 N/A LEU 51.A N LEU 224.A O no hydrogen 2.943 N/A LYS 52.A N GLU 39.A O no hydrogen 2.941 N/A LYS 52.A NZ ASP 214.A OD2 no hydrogen 2.846 N/A LYS 52.A NZ GLU 217.A OE1 no hydrogen 2.647 N/A PHE 53.A N MET 222.A O no hydrogen 2.815 N/A ILE 54.A N SER 37.A O.A no hydrogen 2.761 N/A ILE 54.A N SER 37.A O.C no hydrogen 2.714 N/A CYS 55.A N ASP 220.A O no hydrogen 2.949 N/A CYS 55.A SG SER 35.A O no hydrogen 3.651 N/A CYS 55.A SG THR 57.A OG1 no hydrogen 3.547 N/A CYS 55.A SG GLY 58.A O no hydrogen 3.274 N/A THR 56.A N SER 35.A O no hydrogen 2.992 N/A THR 56.A OG1 SER 35.A O no hydrogen 3.372 N/A LEU 60.A N ASP 220.A OD2 no hydrogen 2.774 N/A TRP 64.A NE1 ASP 220.A OD1 no hydrogen 2.925 N/A THR 66.A N PRO 63.A O no hydrogen 2.956 N/A THR 66.A OG1 PRO 63.A O no hydrogen 2.746 N/A THR 66.A OG1 TYR 110.A OH no hydrogen 2.960 N/A LEU 67.A N TRP 64.A O no hydrogen 2.955 N/A VAL 68.A N PRO 65.A O no hydrogen 3.329 N/A THR 69.A OG1 HIS 185.A NE2 no hydrogen 2.718 N/A LEU 71.A N LEU 67.A O no hydrogen 2.853 N/A PHE 75.A N VAL 72.A O no hydrogen 3.219 N/A SER 76.A N LEU 73.A O no hydrogen 3.127 N/A SER 76.A OG LEU 73.A O no hydrogen 2.793 N/A ARG 77.A N VAL 228.A O no hydrogen 2.928 N/A TYR 78.A OH HIS 203.A NE2 no hydrogen 2.717 N/A HIS 81.A NE2 ILE 233.A O no hydrogen 2.688 N/A MET 82.A N PRO 79.A O no hydrogen 2.759 N/A LYS 83.A N ASP 80.A O no hydrogen 3.300 N/A LYS 83.A NZ GLU 12.A OE1 no hydrogen 2.919 N/A LYS 83.A NZ TYR 78.A O no hydrogen 2.931 N/A GLN 84.A N GLN 84.A OE1 no hydrogen 2.758 N/A HIS 85.A N MET 82.A O no hydrogen 2.851 N/A ASP 86.A N LYS 83.A O no hydrogen 3.267 N/A LYS 89.A N ASP 86.A OD1 no hydrogen 3.146 N/A LYS 89.A NZ CYS 74.A O no hydrogen 2.974 N/A LYS 89.A NZ SER 76.A O no hydrogen 2.885 N/A LYS 89.A NZ ASP 86.A OD2 no hydrogen 2.813 N/A SER 90.A N ASP 86.A O no hydrogen 3.348 N/A SER 90.A OG PHE 87.A O no hydrogen 2.891 N/A ALA 91.A N PHE 87.A O no hydrogen 3.158 N/A MET 92.A N LYS 89.A O no hydrogen 3.149 N/A GLY 95.A N ALA 91.A O no hydrogen 2.849 N/A TYR 96.A N VAL 116.A O no hydrogen 3.044 N/A VAL 97.A N THR 190.A O no hydrogen 2.839 N/A GLN 98.A N ALA 114.A O no hydrogen 2.879 N/A GLU 99.A N GLN 188.A O no hydrogen 2.912 N/A ARG 100.A N THR 112.A O no hydrogen 3.004 N/A ARG 100.A NE GLN 187.A OE1 no hydrogen 2.844 N/A ARG 100.A NH1 THR 69.A O no hydrogen 2.754 N/A ARG 100.A NH2 GLN 187.A OE1 no hydrogen 2.925 N/A THR 101.A N TYR 186.A O no hydrogen 3.080 N/A ILE 102.A N TYR 110.A O no hydrogen 2.789 N/A PHE 103.A N ASP 184.A O no hydrogen 2.848 N/A PHE 104.A N GLY 108.A O no hydrogen 2.989 N/A LYS 105.A N LEU 182.A O no hydrogen 3.045 N/A ASP 107.A N PHE 104.A O no hydrogen 2.810 N/A GLY 108.A N ASP 107.A OD1 no hydrogen 2.927 N/A ASN 109.A N ILE 132.A O no hydrogen 3.026 N/A TYR 110.A N ILE 102.A O no hydrogen 2.874 N/A TYR 110.A OH THR 66.A OG1 no hydrogen 2.960 N/A LYS 111.A N LYS 130.A O no hydrogen 2.759 N/A LYS 111.A NZ ASN 109.A OD1.A no hydrogen 3.557 N/A THR 112.A N ARG 100.A O no hydrogen 2.895 N/A ARG 113.A N GLU 128.A O no hydrogen 3.039 N/A ARG 113.A NE GLU 99.A OE2 no hydrogen 3.225 N/A ALA 114.A N GLN 98.A O no hydrogen 2.908 N/A GLU 115.A N ARG 126.A O.A no hydrogen 2.968 N/A GLU 115.A N ARG 126.A O.B no hydrogen 2.979 N/A GLU 115.A N ARG 126.A O.C no hydrogen 2.961 N/A VAL 116.A N TYR 96.A O no hydrogen 2.913 N/A LYS 117.A N VAL 124.A O no hydrogen 3.053 N/A PHE 118.A N PRO 93.A O no hydrogen 3.378 N/A GLU 119.A N THR 122.A O no hydrogen 2.889 N/A THR 122.A N GLU 119.A O no hydrogen 3.182 N/A THR 122.A OG1 ASP 121.A OD1.B no hydrogen 3.215 N/A LEU 123.A N PRO 20.A O no hydrogen 2.945 N/A VAL 124.A N LYS 117.A O no hydrogen 2.802 N/A ASN 125.A N LEU 22.A O no hydrogen 2.921 N/A ASN 125.A ND2 LEU 71.A O no hydrogen 3.003 N/A ARG 126.A N.A GLU 115.A O no hydrogen 3.010 N/A ARG 126.A N.B GLU 115.A O no hydrogen 3.035 N/A ARG 126.A N.C GLU 115.A O no hydrogen 3.010 N/A ARG 126.A NH2.A GLU 119.A OE2 no hydrogen 2.933 N/A ILE 127.A N GLU 24.A O.A no hydrogen 2.765 N/A ILE 127.A N GLU 24.A O.B no hydrogen 2.830 N/A GLU 128.A N ARG 113.A O no hydrogen 2.921 N/A LEU 129.A N ASP 26.A O no hydrogen 2.968 N/A LYS 130.A N LYS 111.A O no hydrogen 3.023 N/A GLY 131.A N ASP 28.A O no hydrogen 2.775 N/A ILE 132.A N ASN 109.A O no hydrogen 3.058 N/A PHE 134.A N ASN 30.A OD1 no hydrogen 3.164 N/A LYS 135.A N ASP 107.A OD1 no hydrogen 2.797 N/A ASP 137.A N ASP 137.A OD1 no hydrogen 2.548 N/A GLY 138.A N LYS 135.A O no hydrogen 3.043 N/A ASN 139.A ND2 GLN 181.A OE1 no hydrogen 2.969 N/A GLY 142.A N GLY 138.A O no hydrogen 2.897 N/A HIS 143.A N ILE 140.A O no hydrogen 3.108 N/A LYS 144.A N ASN 139.A O no hydrogen 3.014 N/A LYS 144.A NZ ASP 137.A O no hydrogen 3.176 N/A GLU 146.A N ASN 174.A O no hydrogen 2.911 N/A TYR 147.A OH SER 212.A O no hydrogen 2.654 N/A ASN 148.A N GLU 146.A O no hydrogen 3.059 N/A ASN 148.A ND2.A GLU 146.A OE1 no hydrogen 2.914 N/A ASN 150.A ND2 ARG 172.A O no hydrogen 2.901 N/A ASN 150.A ND2 ASN 174.A OD1 no hydrogen 3.291 N/A HIS 152.A N.A THR 207.A O no hydrogen 3.258 N/A HIS 152.A N.B THR 207.A O no hydrogen 3.101 N/A HIS 152.A N.C THR 207.A O no hydrogen 3.146 N/A VAL 154.A N.A LEU 205.A O no hydrogen 2.794 N/A VAL 154.A N.C LEU 205.A O no hydrogen 2.819 N/A ILE 156.A N HIS 203.A O no hydrogen 2.775 N/A MET 157.A N LYS 166.A O.A no hydrogen 3.092 N/A ASP 159.A N GLY 164.A O no hydrogen 2.743 N/A LYS 162.A N ASP 159.A O no hydrogen 3.208 N/A ASN 163.A N LYS 160.A O no hydrogen 3.236 N/A GLY 164.A N ASP 159.A O no hydrogen 3.066 N/A ILE 165.A N ASN 189.A O no hydrogen 3.080 N/A LYS 166.A N.A MET 157.A O no hydrogen 2.831 N/A SER 167.A N GLN 187.A O no hydrogen 3.035 N/A SER 167.A OG TYR 155.A O.A no hydrogen 2.754 N/A SER 167.A OG TYR 155.A O.B no hydrogen 2.483 N/A SER 167.A OG TYR 155.A O.C no hydrogen 2.750 N/A ASN 168.A ND2.A ASP 184.A OD1.A no hydrogen 3.304 N/A ASN 168.A ND2.A HIS 185.A O no hydrogen 2.765 N/A PHE 169.A N HIS 185.A O no hydrogen 2.983 N/A LYS 170.A NZ ASP 184.A OD1.B no hydrogen 2.689 N/A ILE 171.A N ALA 183.A O no hydrogen 2.982 N/A HIS 173.A N GLN 181.A O no hydrogen 2.837 N/A ASN 174.A ND2 GLU 146.A OE1 no hydrogen 3.485 N/A ILE 175.A N SER 179.A O no hydrogen 2.906 N/A GLU 176.A N LYS 144.A O no hydrogen 2.913 N/A GLY 178.A N ILE 175.A O no hydrogen 2.950 N/A SER 179.A N ASP 177.A OD1 no hydrogen 2.881 N/A VAL 180.A N SER 179.A OG no hydrogen 2.706 N/A GLN 181.A N HIS 173.A O no hydrogen 2.753 N/A GLN 181.A NE2 LYS 105.A O no hydrogen 3.006 N/A GLN 181.A NE2 LEU 182.A O no hydrogen 3.109 N/A ALA 183.A N ILE 171.A O no hydrogen 2.786 N/A ASP 184.A N PHE 103.A O no hydrogen 2.872 N/A HIS 185.A N PHE 169.A O no hydrogen 2.724 N/A HIS 185.A ND1 ALA 183.A O no hydrogen 3.033 N/A HIS 185.A NE2 THR 69.A OG1 no hydrogen 2.718 N/A TYR 186.A N THR 101.A O no hydrogen 2.946 N/A TYR 186.A OH ASP 184.A OD2.A no hydrogen 3.313 N/A GLN 187.A N SER 167.A O no hydrogen 2.810 N/A GLN 187.A NE2 ASN 189.A OD1 no hydrogen 2.847 N/A GLN 188.A N GLU 99.A O no hydrogen 2.966 N/A GLN 188.A NE2 GLU 99.A OE1 no hydrogen 2.819 N/A ASN 189.A N ILE 165.A O no hydrogen 3.024 N/A ASN 189.A ND2 GLN 98.A OE1 no hydrogen 2.896 N/A THR 190.A N VAL 97.A O no hydrogen 3.112 N/A ILE 192.A N GLY 95.A O no hydrogen 2.882 N/A LEU 198.A N SER 90.A OG no hydrogen 2.938 N/A ASP 201.A N HIS 85.A ND1 no hydrogen 3.025 N/A ASN 202.A ND2 TYR 155.A OH.A no hydrogen 2.577 N/A HIS 203.A N ILE 156.A O no hydrogen 3.213 N/A HIS 203.A ND1 ASP 201.A O no hydrogen 2.824 N/A HIS 203.A NE2 TYR 78.A OH no hydrogen 2.717 N/A TYR 204.A N ALA 231.A O no hydrogen 3.045 N/A LEU 205.A N VAL 154.A O.A no hydrogen 2.816 N/A LEU 205.A N VAL 154.A O.C no hydrogen 2.955 N/A SER 206.A N THR 229.A O no hydrogen 2.743 N/A SER 206.A OG.A ASN 153.A OD1 no hydrogen 3.230 N/A SER 206.A OG.B ASN 153.A OD1 no hydrogen 2.930 N/A THR 207.A N HIS 152.A O.A no hydrogen 2.877 N/A THR 207.A N HIS 152.A O.B no hydrogen 2.702 N/A THR 207.A N HIS 152.A O.C no hydrogen 2.770 N/A THR 207.A OG1 HIS 152.A O.A no hydrogen 2.992 N/A THR 207.A OG1 HIS 152.A O.B no hydrogen 3.265 N/A THR 207.A OG1 HIS 152.A O.C no hydrogen 3.226 N/A GLN 208.A N PHE 227.A O no hydrogen 2.941 N/A LYS 210.A N LEU 225.A O no hydrogen 2.797 N/A SER 212.A N VAL 223.A O no hydrogen 2.913 N/A LYS 213.A NZ HIS 221.A O no hydrogen 2.864 N/A ASP 214.A N HIS 221.A NE2 no hydrogen 2.808 N/A ASN 216.A N ASP 214.A OD1 no hydrogen 3.079 N/A GLU 217.A N ASP 214.A O no hydrogen 3.124 N/A ARG 219.A N GLU 217.A OE2 no hydrogen 2.926 N/A ARG 219.A NE GLU 217.A OE2 no hydrogen 2.818 N/A ARG 219.A NH1 GLU 217.A OE1 no hydrogen 2.944 N/A ARG 219.A NH1 GLU 217.A OE2 no hydrogen 3.490 N/A HIS 221.A ND1 ARG 219.A O no hydrogen 2.861 N/A MET 222.A N PHE 53.A O no hydrogen 2.984 N/A VAL 223.A N SER 212.A O no hydrogen 3.062 N/A LEU 224.A N LEU 51.A O no hydrogen 2.782 N/A LEU 225.A N LYS 210.A O no hydrogen 2.969 N/A GLU 226.A N LEU 49.A O no hydrogen 3.182 N/A PHE 227.A N GLN 208.A O no hydrogen 2.834 N/A VAL 228.A N GLY 47.A O no hydrogen 2.878 N/A THR 229.A N SER 206.A O no hydrogen 2.948 N/A ALA 230.A N ARG 77.A O no hydrogen 2.828 N/A ALA 231.A N TYR 204.A O no hydrogen 2.824 N/A