Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u2b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N VAL 40.A O no hydrogen 2.815 N/A THR 3.A N ALA 18.A O no hydrogen 2.877 N/A ILE 6.A N THR 3.A O no hydrogen 3.260 N/A ILE 8.A N PHE 16.A O no hydrogen 2.887 N/A GLN 9.A NE2 GLY 13.A O no hydrogen 3.520 N/A SER 10.A N HIS 14.A O no hydrogen 2.822 N/A SER 10.A OG ASP 99.A OD1 no hydrogen 2.794 N/A GLY 13.A N SER 10.A O no hydrogen 2.841 N/A HIS 14.A N ASP 12.A OD1 no hydrogen 3.093 N/A PHE 16.A N ILE 8.A O no hydrogen 2.894 N/A LEU 19.A N CYS 60.A O no hydrogen 2.917 N/A VAL 20.A N THR 3.A OG1 no hydrogen 2.874 N/A GLY 21.A N ALA 58.A O no hydrogen 2.806 N/A ALA 28.A N TYR 112.A O no hydrogen 2.851 N/A VAL 30.A N LYS 116.A O no hydrogen 3.166 N/A ILE 31.A N ALA 57.A O no hydrogen 2.839 N/A VAL 32.A N GLY 118.A O no hydrogen 2.878 N/A ILE 33.A N VAL 59.A O no hydrogen 2.804 N/A ALA 34.A N VAL 120.A O no hydrogen 2.817 N/A GLN 35.A NE2 GLU 36.A O no hydrogen 3.087 N/A VAL 40.A N THR 71.A O no hydrogen 3.147 N/A ASN 41.A ND2 LEU 73.A O no hydrogen 2.870 N/A ARG 45.A N ASN 41.A O no hydrogen 3.026 N/A GLU 46.A N ALA 42.A O no hydrogen 2.850 N/A THR 47.A N PHE 43.A O no hydrogen 2.987 N/A THR 47.A OG1 PHE 43.A O no hydrogen 2.771 N/A VAL 48.A N MET 44.A O no hydrogen 2.878 N/A SER 49.A N ARG 45.A O no hydrogen 2.923 N/A TRP 50.A N GLU 46.A O no hydrogen 2.970 N/A LEU 51.A N THR 47.A O no hydrogen 2.981 N/A VAL 52.A N VAL 48.A O no hydrogen 2.953 N/A ASP 53.A N SER 49.A O no hydrogen 3.002 N/A GLN 54.A N TRP 50.A O no hydrogen 3.029 N/A GLN 54.A N LEU 51.A O no hydrogen 3.077 N/A GLY 55.A N VAL 52.A O no hydrogen 3.104 N/A TYR 56.A N LEU 51.A O no hydrogen 2.941 N/A ALA 57.A N PRO 29.A O no hydrogen 3.033 N/A ALA 58.A N GLY 21.A O no hydrogen 2.971 N/A VAL 59.A N ILE 31.A O no hydrogen 2.926 N/A CYS 60.A N LEU 19.A O no hydrogen 2.750 N/A CYS 60.A SG ILE 33.A O no hydrogen 3.526 N/A ASP 62.A N GLY 17.A O no hydrogen 2.846 N/A LEU 63.A N GLN 35.A OE1 no hydrogen 3.231 N/A TYR 64.A OH ILE 37.A O no hydrogen 2.764 N/A ALA 65.A N ASP 62.A O no hydrogen 3.114 N/A ARG 66.A NE ASP 99.A OD1 no hydrogen 3.471 N/A ARG 66.A NE ASP 99.A OD2 no hydrogen 2.985 N/A ARG 66.A NH1 ASP 12.A OD2 no hydrogen 2.836 N/A ARG 66.A NH2 ASP 12.A OD1 no hydrogen 2.944 N/A ARG 66.A NH2 ASP 12.A OD2 no hydrogen 3.390 N/A ARG 66.A NH2 ASP 99.A OD1 no hydrogen 2.856 N/A GLN 67.A N TYR 64.A O no hydrogen 2.876 N/A ALA 68.A N TYR 64.A O no hydrogen 2.802 N/A GLY 70.A N ASP 62.A OD2 no hydrogen 2.962 N/A THR 71.A OG1 ALA 68.A O no hydrogen 3.017 N/A LEU 73.A N PHE 38.A O no hydrogen 2.805 N/A ASP 74.A N GLN 80.A OE1 no hydrogen 2.776 N/A GLN 76.A N ASP 74.A OD1 no hydrogen 2.852 N/A GLN 76.A NE2 SER 208.A O no hydrogen 2.957 N/A ASP 77.A N ASP 74.A O no hydrogen 3.058 N/A GLN 80.A N ASP 77.A OD1 no hydrogen 2.955 N/A ARG 81.A N ASP 77.A O no hydrogen 2.866 N/A ARG 81.A NH1 PRO 75.A O no hydrogen 2.868 N/A ARG 81.A NH2 TYR 85.A OH no hydrogen 3.329 N/A GLU 82.A N GLU 78.A O no hydrogen 2.974 N/A GLN 83.A N ALA 79.A O no hydrogen 3.176 N/A ALA 84.A N GLN 80.A O no hydrogen 2.873 N/A TYR 85.A N ARG 81.A O no hydrogen 2.934 N/A LYS 86.A N GLU 82.A O no hydrogen 3.123 N/A LEU 87.A N GLN 83.A O no hydrogen 3.000 N/A TRP 88.A N ALA 84.A O no hydrogen 2.897 N/A GLN 89.A N TYR 85.A O no hydrogen 2.930 N/A ALA 90.A N LYS 86.A O no hydrogen 3.112 N/A PHE 91.A N TRP 88.A O no hydrogen 3.083 N/A ALA 95.A N ASP 92.A OD1 no hydrogen 2.993 N/A GLY 96.A N ASP 92.A O no hydrogen 2.935 N/A VAL 97.A N MET 93.A O no hydrogen 2.973 N/A GLY 98.A N GLU 94.A O no hydrogen 3.028 N/A ASP 99.A N ALA 95.A O no hydrogen 2.845 N/A LEU 100.A N GLY 96.A O no hydrogen 2.888 N/A GLU 101.A N VAL 97.A O no hydrogen 2.859 N/A ALA 102.A N GLY 98.A O no hydrogen 3.065 N/A ALA 103.A N ASP 99.A O no hydrogen 2.961 N/A ILE 104.A N LEU 100.A O no hydrogen 2.837 N/A ARG 105.A N GLU 101.A O no hydrogen 2.951 N/A TYR 106.A N ALA 102.A O no hydrogen 2.910 N/A ALA 107.A N ALA 103.A O no hydrogen 2.894 N/A ARG 108.A N ILE 104.A O no hydrogen 3.066 N/A ARG 108.A N ARG 105.A O no hydrogen 3.186 N/A ARG 108.A NH1 GLY 115.A O no hydrogen 3.055 N/A ARG 108.A NH1 ASP 139.A OD2 no hydrogen 2.947 N/A ARG 108.A NH2 TYR 137.A O no hydrogen 2.805 N/A HIS 109.A N TYR 106.A O no hydrogen 3.251 N/A GLN 110.A N SER 113.A OG.A no hydrogen 2.897 N/A SER 113.A N GLN 110.A O no hydrogen 3.028 N/A SER 113.A OG.A ALA 107.A O no hydrogen 2.810 N/A SER 113.A OG.A GLN 110.A O no hydrogen 3.097 N/A SER 113.A OG.B ALA 107.A O no hydrogen 3.484 N/A SER 113.A OG.B ARG 108.A O no hydrogen 2.952 N/A ASN 114.A N ALA 28.A O no hydrogen 2.894 N/A ASN 114.A ND2 LEU 231.A O no hydrogen 2.993 N/A ASN 114.A ND2 SER 233.A O no hydrogen 3.283 N/A GLY 115.A N SER 113.A OG.B no hydrogen 2.598 N/A LYS 116.A N ASN 114.A OD1 no hydrogen 2.917 N/A VAL 117.A N ASP 139.A OD2 no hydrogen 2.844 N/A GLY 118.A N VAL 30.A O no hydrogen 2.917 N/A LEU 119.A N ARG 140.A O no hydrogen 3.039 N/A VAL 120.A N VAL 32.A O no hydrogen 2.914 N/A GLY 121.A N VAL 142.A O no hydrogen 2.876 N/A TYR 122.A N ALA 34.A O no hydrogen 3.159 N/A SER 123.A N TYR 144.A O no hydrogen 2.889 N/A SER 123.A OG HIS 202.A NE2 no hydrogen 2.930 N/A GLY 125.A N TYR 122.A O no hydrogen 2.905 N/A ALA 127.A N SER 123.A O no hydrogen 3.068 N/A LEU 128.A N LEU 124.A O no hydrogen 2.975 N/A ALA 129.A N GLY 125.A O no hydrogen 2.841 N/A PHE 130.A N GLY 126.A O no hydrogen 3.360 N/A LEU 131.A N ALA 127.A O no hydrogen 3.308 N/A VAL 132.A N LEU 128.A O no hydrogen 2.853 N/A ALA 133.A N ALA 129.A O no hydrogen 2.814 N/A ALA 134.A N PHE 130.A O no hydrogen 2.947 N/A LYS 135.A N LEU 131.A O no hydrogen 3.117 N/A GLY 136.A N VAL 132.A O no hydrogen 2.859 N/A ASP 139.A N VAL 117.A O no hydrogen 2.953 N/A ARG 140.A NH1 PHE 227.A O no hydrogen 2.781 N/A ALA 141.A N PRO 162.A O no hydrogen 3.100 N/A VAL 142.A N LEU 119.A O no hydrogen 2.781 N/A GLY 143.A N LEU 164.A O no hydrogen 2.879 N/A TYR 144.A N GLY 121.A O no hydrogen 2.756 N/A TYR 144.A OH ASN 221.A OD1 no hydrogen 2.709 N/A TYR 144.A OH THR 224.A OG1 no hydrogen 2.772 N/A TYR 145.A N HIS 166.A O no hydrogen 2.808 N/A GLU 150.A N GLU 150.A OE1 no hydrogen 2.806 N/A LYS 151.A N GLY 148.A O no hydrogen 3.017 N/A GLN 152.A N LEU 149.A O no hydrogen 3.016 N/A LYS 155.A N GLN 152.A O no hydrogen 2.974 N/A VAL 156.A N LEU 153.A O no hydrogen 3.065 N/A GLU 158.A N LYS 155.A O no hydrogen 2.967 N/A VAL 159.A N VAL 156.A O no hydrogen 3.169 N/A ALA 163.A N LEU 191.A O no hydrogen 2.979 N/A LEU 164.A N ALA 141.A O no hydrogen 2.886 N/A PHE 165.A N GLN 193.A O no hydrogen 2.871 N/A HIS 166.A N GLY 143.A O no hydrogen 2.913 N/A HIS 166.A ND1 TYR 197.A OH no hydrogen 2.750 N/A HIS 166.A NE2 THR 224.A OG1 no hydrogen 2.899 N/A MET 167.A N HIS 195.A O no hydrogen 2.925 N/A GLY 169.A N TYR 197.A O no hydrogen 2.828 N/A GLN 170.A N ALA 200.A O no hydrogen 2.860 N/A GLN 170.A NE2 GLU 198.A O no hydrogen 3.344 N/A ASP 171.A N GLY 168.A O no hydrogen 3.052 N/A PHE 173.A N ASP 171.A OD1 no hydrogen 3.007 N/A VAL 174.A N ASP 171.A O no hydrogen 2.914 N/A ARG 179.A N PRO 175.A O no hydrogen 3.078 N/A ARG 179.A NH1 GLU 198.A OE1 no hydrogen 2.876 N/A ARG 179.A NH1 GLU 198.A OE2 no hydrogen 3.456 N/A ARG 179.A NH2 GLU 198.A OE2 no hydrogen 2.785 N/A GLN 180.A N ALA 176.A O no hydrogen 2.947 N/A GLN 180.A NE2 GLU 184.A OE2 no hydrogen 2.968 N/A LEU 181.A N PRO 177.A O no hydrogen 3.049 N/A ILE 182.A N SER 178.A O no hydrogen 2.911 N/A THR 183.A N ARG 179.A O no hydrogen 2.846 N/A THR 183.A OG1 ARG 179.A O no hydrogen 2.855 N/A GLU 184.A N GLN 180.A O no hydrogen 2.956 N/A GLY 185.A N LEU 181.A O no hydrogen 2.939 N/A PHE 186.A N ILE 182.A O no hydrogen 2.864 N/A GLY 187.A N THR 183.A O no hydrogen 3.141 N/A ALA 188.A N GLY 185.A O no hydrogen 3.337 N/A ASN 189.A N PHE 186.A O no hydrogen 3.031 N/A ASN 189.A ND2 VAL 156.A O no hydrogen 2.899 N/A ASN 189.A ND2 VAL 159.A O no hydrogen 3.013 N/A LEU 191.A N ASN 189.A OD1 no hydrogen 2.990 N/A LEU 192.A N ASN 189.A O no hydrogen 2.915 N/A GLN 193.A N ALA 163.A O no hydrogen 2.935 N/A HIS 195.A N PHE 165.A O no hydrogen 2.863 N/A TYR 197.A N MET 167.A O no hydrogen 2.866 N/A TYR 197.A OH HIS 166.A ND1 no hydrogen 2.750 N/A ALA 200.A N TYR 197.A O no hydrogen 3.213 N/A HIS 202.A ND1 ASP 171.A OD2 no hydrogen 2.750 N/A HIS 202.A NE2 SER 123.A OG no hydrogen 2.930 N/A ALA 205.A N TYR 145.A OH no hydrogen 3.061 N/A ARG 206.A N SER 203.A O no hydrogen 3.126 N/A ARG 206.A NE GLU 36.A OE2 no hydrogen 2.862 N/A ARG 206.A NH1 SER 208.A OG no hydrogen 3.045 N/A SER 209.A N ARG 206.A O no hydrogen 3.047 N/A GLY 211.A N SER 209.A OG no hydrogen 2.858 N/A TYR 212.A N SER 209.A O no hydrogen 3.015 N/A VAL 213.A N PHE 204.A O no hydrogen 3.052 N/A ALA 217.A N VAL 213.A O no hydrogen 2.876 N/A ALA 218.A N ALA 214.A O no hydrogen 2.941 N/A LEU 219.A N SER 215.A O no hydrogen 3.109 N/A ALA 220.A N ALA 216.A O no hydrogen 2.867 N/A ASN 221.A N ALA 217.A O no hydrogen 2.758 N/A GLU 222.A N ALA 218.A O no hydrogen 2.968 N/A ARG 223.A N LEU 219.A O no hydrogen 3.104 N/A ARG 223.A NH1 TYR 197.A OH no hydrogen 2.941 N/A THR 224.A N ALA 220.A O no hydrogen 2.929 N/A THR 224.A OG1 TYR 144.A OH no hydrogen 2.772 N/A THR 224.A OG1 HIS 166.A NE2 no hydrogen 2.899 N/A THR 224.A OG1 ALA 220.A O no hydrogen 3.161 N/A LEU 225.A N ASN 221.A O no hydrogen 2.991 N/A ASP 226.A N GLU 222.A O no hydrogen 2.861 N/A PHE 227.A N ARG 223.A O no hydrogen 2.878 N/A LEU 228.A N THR 224.A O no hydrogen 2.896 N/A ALA 229.A N LEU 225.A O no hydrogen 2.962 N/A LEU 231.A N LEU 228.A O no hydrogen 2.910 N/A GLN 232.A N ALA 229.A O no hydrogen 2.925 N/A