Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u2c_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N VAL 40.A O no hydrogen 2.818 N/A THR 3.A N ALA 18.A O no hydrogen 2.794 N/A ILE 6.A N THR 3.A O no hydrogen 3.245 N/A ILE 8.A N PHE 16.A O no hydrogen 2.868 N/A GLN 9.A NE2 GLY 13.A O no hydrogen 3.185 N/A SER 10.A N HIS 14.A O no hydrogen 2.835 N/A SER 10.A OG GLY 98.A O no hydrogen 3.401 N/A SER 10.A OG ASP 99.A OD1 no hydrogen 2.733 N/A GLY 13.A N SER 10.A O no hydrogen 3.076 N/A HIS 14.A N ASP 12.A OD1 no hydrogen 3.154 N/A PHE 16.A N ILE 8.A O no hydrogen 2.863 N/A LEU 19.A N CYS 60.A O no hydrogen 2.891 N/A VAL 20.A N THR 3.A OG1 no hydrogen 2.905 N/A GLY 21.A N ALA 58.A O no hydrogen 2.799 N/A ALA 28.A N TYR 112.A O no hydrogen 2.763 N/A VAL 30.A N LYS 116.A O no hydrogen 3.074 N/A ILE 31.A N ALA 57.A O no hydrogen 2.809 N/A VAL 32.A N GLY 118.A O no hydrogen 2.922 N/A ILE 33.A N VAL 59.A O no hydrogen 2.775 N/A ALA 34.A N VAL 120.A O no hydrogen 2.833 N/A HIS 35.A ND1 GLU 36.A O no hydrogen 2.730 N/A ILE 37.A N SER 123.A OG no hydrogen 3.214 N/A GLY 39.A N GLU 36.A O no hydrogen 3.473 N/A VAL 40.A N THR 71.A O no hydrogen 3.062 N/A ASN 41.A ND2 LEU 73.A O no hydrogen 2.946 N/A PHE 43.A N ASN 41.A OD1 no hydrogen 3.129 N/A MET 44.A N ASN 41.A OD1 no hydrogen 3.378 N/A ARG 45.A N ASN 41.A O no hydrogen 3.048 N/A GLU 46.A N ALA 42.A O no hydrogen 2.956 N/A THR 47.A N PHE 43.A O no hydrogen 2.918 N/A THR 47.A OG1 PHE 43.A O no hydrogen 2.802 N/A VAL 48.A N MET 44.A O no hydrogen 2.827 N/A SER 49.A N ARG 45.A O no hydrogen 3.129 N/A TRP 50.A N GLU 46.A O no hydrogen 2.915 N/A LEU 51.A N THR 47.A O no hydrogen 3.015 N/A VAL 52.A N VAL 48.A O no hydrogen 3.002 N/A ASP 53.A N SER 49.A O no hydrogen 2.958 N/A GLN 54.A N TRP 50.A O no hydrogen 2.949 N/A GLN 54.A N LEU 51.A O no hydrogen 3.056 N/A GLY 55.A N VAL 52.A O no hydrogen 2.967 N/A TYR 56.A N LEU 51.A O no hydrogen 2.969 N/A ALA 57.A N PRO 29.A O no hydrogen 2.962 N/A ALA 58.A N GLY 21.A O no hydrogen 3.033 N/A VAL 59.A N ILE 31.A O no hydrogen 2.800 N/A CYS 60.A N LEU 19.A O no hydrogen 2.801 N/A CYS 60.A SG ILE 33.A O no hydrogen 3.599 N/A ASP 62.A N GLY 17.A O no hydrogen 2.932 N/A LEU 63.A N HIS 35.A NE2 no hydrogen 3.173 N/A TYR 64.A OH ILE 37.A O no hydrogen 2.782 N/A ALA 65.A N ASP 62.A O no hydrogen 3.345 N/A ARG 66.A NE ASP 99.A OD1 no hydrogen 3.422 N/A ARG 66.A NE ASP 99.A OD2 no hydrogen 2.918 N/A ARG 66.A NH1 ASP 12.A OD2 no hydrogen 2.867 N/A ARG 66.A NH2 ASP 12.A OD1 no hydrogen 3.054 N/A ARG 66.A NH2 ASP 12.A OD2 no hydrogen 3.443 N/A ARG 66.A NH2 ASP 99.A OD1 no hydrogen 2.917 N/A GLN 67.A N TYR 64.A O no hydrogen 2.803 N/A GLN 67.A NE2 LEU 87.A O no hydrogen 3.031 N/A ALA 68.A N TYR 64.A O no hydrogen 2.773 N/A GLY 70.A N ASP 62.A OD2 no hydrogen 2.840 N/A THR 71.A OG1 ALA 68.A O no hydrogen 2.778 N/A LEU 73.A N LEU 38.A O no hydrogen 2.776 N/A ASP 74.A N GLN 80.A OE1 no hydrogen 2.668 N/A GLN 76.A N ASP 74.A OD1 no hydrogen 2.870 N/A ASP 77.A N ASP 74.A O no hydrogen 3.100 N/A ALA 79.A N ASP 77.A OD1 no hydrogen 2.821 N/A GLN 80.A NE2 ASP 77.A OD2 no hydrogen 3.167 N/A ARG 81.A N ASP 77.A O no hydrogen 2.844 N/A ARG 81.A NH1 PRO 75.A O no hydrogen 3.138 N/A GLU 82.A N GLU 78.A O no hydrogen 2.847 N/A GLN 83.A N ALA 79.A O no hydrogen 3.072 N/A ALA 84.A N GLN 80.A O no hydrogen 2.941 N/A TYR 85.A N ARG 81.A O no hydrogen 2.983 N/A LYS 86.A N GLU 82.A O no hydrogen 3.080 N/A LEU 87.A N GLN 83.A O no hydrogen 2.958 N/A TRP 88.A N ALA 84.A O no hydrogen 2.903 N/A GLN 89.A N TYR 85.A O no hydrogen 2.926 N/A ALA 90.A N LYS 86.A O no hydrogen 3.286 N/A PHE 91.A N TRP 88.A O no hydrogen 2.936 N/A ALA 95.A N ASP 92.A OD1 no hydrogen 3.020 N/A GLY 96.A N ASP 92.A O no hydrogen 2.992 N/A VAL 97.A N MET 93.A O no hydrogen 2.943 N/A GLY 98.A N GLU 94.A O no hydrogen 3.047 N/A ASP 99.A N ALA 95.A O no hydrogen 2.814 N/A LEU 100.A N GLY 96.A O no hydrogen 2.818 N/A GLU 101.A N VAL 97.A O no hydrogen 2.882 N/A ALA 102.A N GLY 98.A O no hydrogen 3.081 N/A ALA 103.A N ASP 99.A O no hydrogen 2.921 N/A ILE 104.A N LEU 100.A O no hydrogen 2.789 N/A ARG 105.A N GLU 101.A O no hydrogen 3.106 N/A TYR 106.A N ALA 102.A O no hydrogen 2.991 N/A ALA 107.A N ALA 103.A O no hydrogen 2.864 N/A ARG 108.A N ILE 104.A O no hydrogen 2.838 N/A ARG 108.A NH1 GLY 115.A O no hydrogen 3.250 N/A ARG 108.A NH2 TYR 137.A O no hydrogen 2.903 N/A HIS 109.A N ARG 105.A O no hydrogen 3.184 N/A HIS 109.A N TYR 106.A O no hydrogen 3.208 N/A LEU 110.A N ALA 107.A O no hydrogen 3.243 N/A SER 113.A N LEU 110.A O no hydrogen 3.138 N/A SER 113.A OG ARG 108.A O no hydrogen 3.161 N/A ASN 114.A N ALA 28.A O no hydrogen 2.875 N/A ASN 114.A ND2 LEU 230.A O no hydrogen 2.919 N/A ASN 114.A ND2 SER 232.A OG no hydrogen 2.967 N/A GLY 115.A N SER 113.A OG no hydrogen 2.962 N/A LYS 116.A N ASN 114.A OD1 no hydrogen 2.980 N/A VAL 117.A N ASP 139.A OD2 no hydrogen 2.906 N/A GLY 118.A N VAL 30.A O no hydrogen 2.996 N/A LEU 119.A N ARG 140.A O no hydrogen 3.019 N/A VAL 120.A N VAL 32.A O no hydrogen 2.958 N/A GLY 121.A N VAL 142.A O no hydrogen 2.795 N/A TYR 122.A N ALA 34.A O no hydrogen 3.098 N/A SER 123.A N TYR 144.A O no hydrogen 2.962 N/A LEU 124.A N SER 123.A OG no hydrogen 2.673 N/A GLY 125.A N HIS 35.A O no hydrogen 2.968 N/A GLY 125.A N TYR 122.A O no hydrogen 2.942 N/A GLY 126.A N SER 123.A O no hydrogen 2.716 N/A ALA 127.A N SER 123.A O no hydrogen 3.292 N/A LEU 128.A N LEU 124.A O no hydrogen 3.020 N/A ALA 129.A N GLY 125.A O no hydrogen 2.801 N/A PHE 130.A N ALA 127.A O no hydrogen 3.184 N/A LEU 131.A N ALA 127.A O no hydrogen 3.326 N/A VAL 132.A N LEU 128.A O no hydrogen 2.931 N/A ALA 133.A N ALA 129.A O no hydrogen 2.881 N/A ALA 134.A N PHE 130.A O no hydrogen 2.934 N/A LYS 135.A N LEU 131.A O no hydrogen 3.016 N/A GLY 136.A N VAL 132.A O no hydrogen 2.817 N/A GLY 136.A N ALA 133.A O no hydrogen 3.241 N/A ASP 139.A N VAL 117.A O no hydrogen 2.941 N/A ARG 140.A NH1 PHE 226.A O no hydrogen 2.816 N/A ALA 141.A N PRO 161.A O no hydrogen 3.128 N/A VAL 142.A N LEU 119.A O no hydrogen 2.767 N/A GLY 143.A N LEU 163.A O no hydrogen 2.912 N/A TYR 144.A N GLY 121.A O no hydrogen 2.762 N/A TYR 144.A OH ASN 220.A OD1 no hydrogen 2.766 N/A TYR 144.A OH THR 223.A OG1 no hydrogen 2.663 N/A GLU 149.A N GLU 149.A OE1 no hydrogen 2.774 N/A LYS 150.A N GLY 147.A O no hydrogen 2.957 N/A GLN 151.A N LEU 148.A O no hydrogen 2.871 N/A LYS 154.A N GLN 151.A O no hydrogen 2.973 N/A VAL 155.A N LEU 152.A O no hydrogen 3.050 N/A GLU 157.A N LYS 154.A O no hydrogen 2.982 N/A VAL 158.A N VAL 155.A O no hydrogen 3.170 N/A ALA 162.A N LEU 190.A O no hydrogen 2.950 N/A LEU 163.A N ALA 141.A O no hydrogen 2.881 N/A PHE 164.A N GLN 192.A O no hydrogen 2.689 N/A HIS 165.A N GLY 143.A O no hydrogen 2.908 N/A HIS 165.A ND1 TYR 196.A OH no hydrogen 2.772 N/A HIS 165.A NE2 THR 223.A OG1 no hydrogen 2.888 N/A MET 166.A N HIS 194.A O no hydrogen 2.888 N/A GLY 168.A N TYR 196.A O no hydrogen 2.732 N/A GLN 169.A N ALA 199.A O no hydrogen 2.825 N/A ASP 170.A N GLY 167.A O no hydrogen 3.484 N/A PHE 172.A N ASP 170.A OD1 no hydrogen 2.853 N/A VAL 173.A N ASP 170.A O no hydrogen 2.792 N/A ARG 178.A N PRO 174.A O no hydrogen 2.995 N/A ARG 178.A NH1 GLU 197.A OE1 no hydrogen 3.000 N/A ARG 178.A NH2 GLU 197.A OE2 no hydrogen 2.887 N/A GLN 179.A N ALA 175.A O no hydrogen 2.914 N/A LEU 180.A N PRO 176.A O no hydrogen 2.935 N/A ILE 181.A N SER 177.A O no hydrogen 2.907 N/A THR 182.A N ARG 178.A O no hydrogen 2.848 N/A THR 182.A OG1 ARG 178.A O no hydrogen 2.781 N/A GLU 183.A N GLN 179.A O no hydrogen 2.977 N/A GLY 184.A N LEU 180.A O no hydrogen 2.958 N/A PHE 185.A N ILE 181.A O no hydrogen 2.866 N/A GLY 186.A N THR 182.A O no hydrogen 3.146 N/A ALA 187.A N GLY 184.A O no hydrogen 3.301 N/A ASN 188.A N PHE 185.A O no hydrogen 3.095 N/A ASN 188.A ND2 VAL 155.A O no hydrogen 2.885 N/A ASN 188.A ND2 VAL 158.A O no hydrogen 3.019 N/A LEU 190.A N ASN 188.A OD1 no hydrogen 2.980 N/A LEU 191.A N ASN 188.A O no hydrogen 2.920 N/A GLN 192.A N ALA 162.A O no hydrogen 2.873 N/A HIS 194.A N PHE 164.A O no hydrogen 2.851 N/A HIS 194.A NE2 GLN 192.A OE1 no hydrogen 2.930 N/A TYR 196.A N MET 166.A O no hydrogen 2.898 N/A TYR 196.A OH HIS 165.A ND1 no hydrogen 2.772 N/A ALA 199.A N TYR 196.A O no hydrogen 3.117 N/A HIS 201.A ND1 ASP 170.A OD2 no hydrogen 2.695 N/A ARG 205.A N SER 202.A O no hydrogen 3.058 N/A ARG 205.A NE GLU 36.A OE2 no hydrogen 2.722 N/A ARG 205.A NH2 GLU 36.A OE2 no hydrogen 2.888 N/A THR 206.A OG1 GLU 46.A OE1.B no hydrogen 3.002 N/A THR 206.A OG1 GLU 46.A OE2.B no hydrogen 2.956 N/A SER 208.A N ARG 205.A O no hydrogen 3.023 N/A GLY 210.A N SER 208.A OG no hydrogen 2.951 N/A TYR 211.A N SER 208.A O no hydrogen 3.068 N/A VAL 212.A N PHE 203.A O no hydrogen 2.948 N/A ALA 216.A N VAL 212.A O no hydrogen 2.886 N/A ALA 217.A N ALA 213.A O no hydrogen 2.913 N/A LEU 218.A N SER 214.A O no hydrogen 3.096 N/A ALA 219.A N ALA 215.A O no hydrogen 2.935 N/A ASN 220.A N ALA 216.A O no hydrogen 2.808 N/A GLU 221.A N ALA 217.A O no hydrogen 2.973 N/A ARG 222.A N LEU 218.A O no hydrogen 2.989 N/A ARG 222.A NH1 TYR 196.A OH no hydrogen 2.914 N/A THR 223.A N ALA 219.A O no hydrogen 2.836 N/A THR 223.A OG1 TYR 144.A OH no hydrogen 2.663 N/A THR 223.A OG1 HIS 165.A NE2 no hydrogen 2.888 N/A THR 223.A OG1 ALA 219.A O no hydrogen 3.200 N/A LEU 224.A N ASN 220.A O no hydrogen 2.972 N/A ASP 225.A N GLU 221.A O no hydrogen 2.974 N/A PHE 226.A N ARG 222.A O no hydrogen 2.877 N/A LEU 227.A N THR 223.A O no hydrogen 2.870 N/A ALA 228.A N LEU 224.A O no hydrogen 2.903 N/A LEU 230.A N LEU 227.A O no hydrogen 2.939 N/A GLN 231.A N ALA 228.A O no hydrogen 2.849 N/A GLN 231.A NE2 GLN 54.A O no hydrogen 2.958 N/A