Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6s4q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 ALA 21.A O no hydrogen 3.090 N/A GLY 4.A N ASP 1.A OD2 no hydrogen 3.000 N/A ILE 5.A N ASP 1.A O no hydrogen 3.108 N/A THR 6.A N GLN 2.A O no hydrogen 3.166 N/A THR 6.A OG1 GLN 2.A O no hydrogen 2.831 N/A GLY 7.A N VAL 19.A O no hydrogen 2.791 N/A TRP 9.A N PHE 17.A O no hydrogen 2.693 N/A TRP 9.A NE1 ILE 5.A O no hydrogen 2.753 N/A TYR 10.A N THR 119.A O no hydrogen 2.868 N/A ASN 11.A N SER 15.A O no hydrogen 3.136 N/A GLN 12.A N GLN 12.A OE1 no hydrogen 2.821 N/A GLN 12.A NE2 ASP 116.A OD1 no hydrogen 2.758 N/A LEU 13.A N ASN 11.A OD1 no hydrogen 2.985 N/A GLY 14.A N ASN 11.A O no hydrogen 3.035 N/A SER 15.A N ASN 11.A OD1 no hydrogen 2.990 N/A THR 16.A N GLU 32.A O no hydrogen 2.832 N/A PHE 17.A N TRP 9.A O no hydrogen 2.882 N/A ILE 18.A N THR 30.A O no hydrogen 2.887 N/A VAL 19.A N GLY 7.A O no hydrogen 2.859 N/A THR 20.A N THR 28.A O no hydrogen 2.866 N/A ALA 21.A N THR 6.A OG1 no hydrogen 2.947 N/A GLY 22.A N ALA 26.A O no hydrogen 2.841 N/A GLY 25.A N GLY 22.A O no hydrogen 3.433 N/A ALA 26.A N ASP 24.A OD1 no hydrogen 2.910 N/A LEU 27.A N GLY 46.A O no hydrogen 2.857 N/A THR 28.A N THR 20.A O no hydrogen 3.057 N/A GLY 29.A N LEU 44.A O no hydrogen 3.137 N/A THR 30.A N ILE 18.A O no hydrogen 3.037 N/A TYR 31.A N TYR 42.A O no hydrogen 2.840 N/A GLU 32.A N THR 16.A O no hydrogen 2.772 N/A SER 33.A OG VAL 35.A O no hydrogen 2.724 N/A ALA 34.A N SER 15.A OG no hydrogen 3.137 N/A VAL 35.A N SER 33.A OG no hydrogen 3.392 N/A GLU 39.A N TYR 42.A OH no hydrogen 2.928 N/A TYR 42.A N TYR 31.A O no hydrogen 2.880 N/A TYR 42.A OH GLU 39.A O no hydrogen 3.398 N/A LEU 44.A N GLY 29.A O no hydrogen 2.967 N/A THR 45.A N THR 64.A O no hydrogen 3.231 N/A THR 45.A OG1 LEU 27.A O no hydrogen 3.539 N/A THR 45.A OG1 THR 167.A OG1 no hydrogen 2.662 N/A GLY 46.A N LEU 27.A O no hydrogen 2.874 N/A ARG 47.A N GLY 62.A O no hydrogen 2.934 N/A ARG 47.A NH2 ASP 24.A O no hydrogen 2.958 N/A TYR 48.A N GLY 25.A O no hydrogen 2.925 N/A TYR 48.A OH GLY 22.A O no hydrogen 2.431 N/A ASP 49.A N ALA 60.A O no hydrogen 2.990 N/A SER 57.A N ASP 55.A OD1 no hydrogen 3.269 N/A SER 57.A OG ASP 55.A OD1 no hydrogen 2.622 N/A GLY 58.A N THR 224.A O no hydrogen 2.810 N/A THR 59.A N TYR 84.A O no hydrogen 2.813 N/A LEU 61.A N GLY 82.A O no hydrogen 2.929 N/A GLY 62.A N ARG 47.A O no hydrogen 2.945 N/A TRP 63.A N TRP 80.A O no hydrogen 3.056 N/A THR 64.A N THR 45.A O no hydrogen 2.921 N/A VAL 65.A N THR 78.A O no hydrogen 2.879 N/A TRP 67.A N SER 76.A O no hydrogen 2.897 N/A TRP 67.A NE1 THR 78.A OG1 no hydrogen 2.907 N/A ASN 69.A N ARG 72.A O no hydrogen 2.946 N/A ASN 69.A ND2 GLU 39.A O no hydrogen 3.005 N/A ASN 69.A ND2 ARG 41.A O no hydrogen 2.809 N/A TYR 71.A N ASN 69.A OD1 no hydrogen 2.845 N/A ARG 72.A N ASN 69.A OD1 no hydrogen 2.973 N/A ARG 72.A NE GLU 39.A OE2 no hydrogen 2.577 N/A ARG 72.A NH2 ASN 37.A OD1 no hydrogen 3.256 N/A ASN 73.A ND2 ASP 171.A OD1 no hydrogen 2.993 N/A ALA 74.A N TRP 67.A O no hydrogen 2.987 N/A HIS 75.A N ASN 73.A OD1 no hydrogen 3.093 N/A HIS 75.A ND1 ASP 171.A OD2 no hydrogen 2.672 N/A SER 76.A OG ALA 74.A O no hydrogen 2.950 N/A ALA 77.A N THR 99.A O no hydrogen 2.969 N/A THR 78.A N VAL 65.A O no hydrogen 2.884 N/A THR 79.A N LEU 97.A O no hydrogen 2.931 N/A THR 79.A OG1 THR 201.A OG1 no hydrogen 2.919 N/A TRP 80.A N TRP 63.A O no hydrogen 2.937 N/A TRP 80.A NE1 ASP 116.A OD2 no hydrogen 2.903 N/A SER 81.A N GLN 95.A O no hydrogen 2.798 N/A SER 81.A OG LEU 219.A O no hydrogen 3.366 N/A SER 81.A OG THR 221.A OG1 no hydrogen 2.584 N/A GLY 82.A N LEU 61.A O no hydrogen 2.947 N/A GLN 83.A N ASN 93.A O no hydrogen 3.146 N/A GLN 83.A NE2 THR 224.A OG1 no hydrogen 2.932 N/A TYR 84.A N THR 59.A O no hydrogen 2.829 N/A VAL 85.A N ARG 91.A O no hydrogen 2.651 N/A ARG 91.A N VAL 85.A O no hydrogen 2.692 N/A ILE 92.A N PHE 118.A O no hydrogen 2.930 N/A ASN 93.A N GLN 83.A O no hydrogen 3.045 N/A THR 94.A N ASP 116.A O no hydrogen 2.876 N/A THR 94.A OG1 ASP 116.A O no hydrogen 2.669 N/A GLN 95.A N SER 81.A O no hydrogen 2.937 N/A GLN 95.A NE2.A GLY 114.A O no hydrogen 3.033 N/A TRP 96.A N GLY 114.A O no hydrogen 2.868 N/A LEU 97.A N THR 79.A O no hydrogen 2.888 N/A LEU 98.A N LEU 112.A O no hydrogen 2.914 N/A THR 99.A N ALA 77.A O no hydrogen 2.909 N/A THR 99.A OG1 THR 111.A OG1 no hydrogen 3.156 N/A THR 99.A OG1 SER 203.A OG no hydrogen 2.632 N/A SER 100.A N SER 110.A O no hydrogen 2.794 N/A SER 100.A OG HIS 75.A O no hydrogen 3.464 N/A SER 100.A OG GLY 101.A O no hydrogen 3.313 N/A GLY 101.A N HIS 75.A O no hydrogen 2.935 N/A THR 102.A N GLN 205.A OE1 no hydrogen 2.850 N/A THR 102.A OG1 THR 103.A O no hydrogen 2.807 N/A ASN 106.A N THR 103.A O no hydrogen 3.118 N/A ALA 107.A N GLU 104.A O no hydrogen 3.341 N/A ALA 109.A N ASN 106.A O no hydrogen 2.996 N/A SER 110.A N ALA 107.A O no hydrogen 3.065 N/A SER 110.A OG ALA 107.A O no hydrogen 2.885 N/A SER 110.A OG THR 111.A OG1 no hydrogen 3.014 N/A THR 111.A OG1 THR 99.A OG1 no hydrogen 3.156 N/A THR 111.A OG1 SER 110.A OG no hydrogen 3.014 N/A LEU 112.A N LEU 98.A O no hydrogen 2.765 N/A GLY 114.A N TRP 96.A O no hydrogen 3.154 N/A ASP 116.A N THR 94.A O no hydrogen 3.138 N/A THR 117.A N GLN 12.A OE1 no hydrogen 2.971 N/A PHE 118.A N ILE 92.A O no hydrogen 2.838 N/A THR 119.A N TYR 10.A O no hydrogen 2.820 N/A THR 119.A OG1 VAL 121.A O no hydrogen 2.677 N/A GLN 124.A NE2 ALA 143.A O no hydrogen 3.039 N/A ILE 127.A N ASP 123.A O no hydrogen 2.787 N/A THR 128.A N GLN 124.A O no hydrogen 3.114 N/A THR 128.A OG1 GLN 124.A O no hydrogen 2.897 N/A GLY 129.A N VAL 141.A O no hydrogen 2.869 N/A TRP 131.A N PHE 139.A O no hydrogen 2.683 N/A TRP 131.A NE1 ILE 127.A O no hydrogen 2.822 N/A TYR 132.A N THR 241.A O no hydrogen 2.859 N/A ASN 133.A N SER 137.A O no hydrogen 3.081 N/A ASN 133.A ND2 ASP 238.A OD2 no hydrogen 3.087 N/A GLN 134.A N GLN 134.A OE1 no hydrogen 2.771 N/A GLN 134.A NE2 ASP 238.A OD1 no hydrogen 2.865 N/A LEU 135.A N ASN 133.A OD1 no hydrogen 2.955 N/A GLY 136.A N ASN 133.A O no hydrogen 2.986 N/A SER 137.A N ASN 133.A OD1 no hydrogen 2.914 N/A THR 138.A N VAL 154.A O no hydrogen 2.769 N/A PHE 139.A N TRP 131.A O no hydrogen 2.783 N/A ILE 140.A N THR 152.A O no hydrogen 2.906 N/A VAL 141.A N GLY 129.A O no hydrogen 2.922 N/A THR 142.A N THR 150.A O no hydrogen 2.827 N/A ALA 143.A N THR 128.A OG1 no hydrogen 2.932 N/A GLY 144.A N ALA 148.A O no hydrogen 2.804 N/A GLY 147.A N GLY 144.A O no hydrogen 3.374 N/A ALA 148.A N ASP 146.A OD1 no hydrogen 3.017 N/A LEU 149.A N GLY 168.A O no hydrogen 2.870 N/A THR 150.A N THR 142.A O no hydrogen 3.093 N/A GLY 151.A N LEU 166.A O no hydrogen 3.196 N/A THR 152.A N ILE 140.A O no hydrogen 2.965 N/A TYR 153.A N TYR 164.A O no hydrogen 2.798 N/A VAL 154.A N THR 138.A O no hydrogen 2.806 N/A THR 155.A OG1 ARG 157.A O no hydrogen 2.606 N/A ALA 156.A N SER 137.A OG no hydrogen 3.049 N/A ARG 157.A N THR 155.A OG1 no hydrogen 3.249 N/A GLU 161.A N TYR 164.A OH no hydrogen 2.923 N/A TYR 164.A N TYR 153.A O no hydrogen 2.879 N/A TYR 164.A OH GLU 161.A O no hydrogen 3.401 N/A LEU 166.A N GLY 151.A O no hydrogen 3.055 N/A THR 167.A N THR 186.A O no hydrogen 3.220 N/A THR 167.A OG1 THR 45.A OG1 no hydrogen 2.662 N/A THR 167.A OG1 LEU 149.A O no hydrogen 3.429 N/A GLY 168.A N LEU 149.A O no hydrogen 2.946 N/A ARG 169.A N GLY 184.A O no hydrogen 3.021 N/A ARG 169.A NH2 ASP 146.A O no hydrogen 3.023 N/A TYR 170.A N GLY 147.A O no hydrogen 2.913 N/A TYR 170.A OH GLY 144.A O no hydrogen 2.494 N/A ASP 171.A N ALA 182.A O no hydrogen 3.026 N/A SER 179.A N ASP 177.A OD1 no hydrogen 3.117 N/A SER 179.A OG ASP 177.A OD1 no hydrogen 2.563 N/A GLY 180.A N THR 102.A O no hydrogen 2.839 N/A THR 181.A N TYR 206.A O no hydrogen 2.922 N/A THR 181.A OG1 ASP 123.A OD2 no hydrogen 2.782 N/A LEU 183.A N GLY 204.A O no hydrogen 2.905 N/A GLY 184.A N ARG 169.A O no hydrogen 2.961 N/A TRP 185.A N TRP 202.A O no hydrogen 3.011 N/A THR 186.A N THR 167.A O no hydrogen 2.903 N/A VAL 187.A N THR 200.A O no hydrogen 2.842 N/A TRP 189.A N SER 198.A O no hydrogen 2.813 N/A TRP 189.A NE1 THR 200.A OG1 no hydrogen 2.880 N/A ASN 191.A N ARG 194.A O no hydrogen 2.909 N/A ASN 191.A ND2 GLU 161.A O no hydrogen 2.912 N/A ASN 191.A ND2 ARG 163.A O no hydrogen 2.855 N/A TYR 193.A N ASN 191.A OD1 no hydrogen 2.889 N/A ARG 194.A N ASN 191.A OD1 no hydrogen 2.937 N/A ARG 194.A NE GLU 161.A OE1 no hydrogen 2.653 N/A ASN 195.A ND2 ASP 49.A OD1 no hydrogen 2.997 N/A ALA 196.A N TRP 189.A O no hydrogen 2.901 N/A HIS 197.A N ASN 195.A OD1 no hydrogen 3.099 N/A HIS 197.A ND1 ASP 49.A OD2 no hydrogen 2.671 N/A SER 198.A OG ALA 196.A O no hydrogen 2.878 N/A ALA 199.A N THR 221.A O no hydrogen 3.028 N/A THR 200.A N VAL 187.A O no hydrogen 2.877 N/A THR 201.A N LEU 219.A O no hydrogen 2.939 N/A THR 201.A OG1 THR 79.A OG1 no hydrogen 2.919 N/A TRP 202.A N TRP 185.A O no hydrogen 2.870 N/A TRP 202.A NE1 ASP 238.A OD2 no hydrogen 2.883 N/A SER 203.A N GLN 217.A O no hydrogen 2.783 N/A SER 203.A OG LEU 97.A O no hydrogen 3.234 N/A SER 203.A OG THR 99.A OG1 no hydrogen 2.632 N/A GLY 204.A N LEU 183.A O no hydrogen 2.925 N/A GLN 205.A N ASN 215.A O no hydrogen 3.137 N/A GLN 205.A NE2 THR 102.A OG1 no hydrogen 2.971 N/A TYR 206.A N THR 181.A O no hydrogen 2.856 N/A VAL 207.A N ARG 213.A O no hydrogen 2.691 N/A ARG 213.A N VAL 207.A O no hydrogen 2.788 N/A ILE 214.A N PHE 240.A O no hydrogen 2.820 N/A ASN 215.A N GLN 205.A O no hydrogen 3.120 N/A THR 216.A N ASP 238.A O no hydrogen 2.882 N/A THR 216.A OG1 ASP 238.A O no hydrogen 2.700 N/A GLN 217.A N SER 203.A O no hydrogen 2.966 N/A TRP 218.A N GLY 236.A O no hydrogen 2.861 N/A LEU 219.A N THR 201.A O no hydrogen 2.894 N/A LEU 220.A N LEU 234.A O no hydrogen 2.819 N/A THR 221.A N ALA 199.A O no hydrogen 2.891 N/A THR 221.A OG1 SER 81.A OG no hydrogen 2.584 N/A THR 221.A OG1 THR 233.A OG1 no hydrogen 3.173 N/A SER 222.A N SER 232.A O no hydrogen 2.815 N/A GLY 223.A N HIS 197.A O no hydrogen 2.951 N/A THR 224.A N GLN 83.A OE1 no hydrogen 2.930 N/A THR 224.A OG1 THR 225.A O no hydrogen 2.843 N/A ASN 228.A N THR 225.A O no hydrogen 3.212 N/A ALA 229.A N GLU 226.A O no hydrogen 3.367 N/A LYS 231.A N ASN 228.A O no hydrogen 2.894 N/A SER 232.A N ALA 229.A O no hydrogen 3.025 N/A SER 232.A OG ALA 229.A O no hydrogen 2.837 N/A SER 232.A OG THR 233.A OG1 no hydrogen 3.165 N/A THR 233.A OG1 THR 221.A OG1 no hydrogen 3.173 N/A THR 233.A OG1 SER 232.A OG no hydrogen 3.165 N/A LEU 234.A N LEU 220.A O no hydrogen 2.775 N/A GLY 236.A N TRP 218.A O no hydrogen 3.159 N/A ASP 238.A N THR 216.A O no hydrogen 3.132 N/A THR 239.A N GLN 134.A OE1 no hydrogen 3.025 N/A PHE 240.A N ILE 214.A O no hydrogen 2.780 N/A THR 241.A N TYR 132.A O no hydrogen 2.932 N/A THR 241.A OG1 VAL 243.A O no hydrogen 3.409 N/A