Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4r2u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N ASN 1.A O no hydrogen 2.919 N/A ASP 6.A N PRO 2.A O no hydrogen 2.951 N/A LEU 7.A N GLU 3.A O no hydrogen 2.936 N/A ARG 8.A N SER 4.A O no hydrogen 2.871 N/A ARG 8.A NH1 GLN 204.A OE1 no hydrogen 3.151 N/A ARG 8.A NH2 GLN 204.A OE1 no hydrogen 3.229 N/A ALA 9.A N ALA 5.A O no hydrogen 2.906 N/A LEU 10.A N ASP 6.A O no hydrogen 2.945 N/A ALA 11.A N LEU 7.A O no hydrogen 2.929 N/A LYS 12.A N ARG 8.A O no hydrogen 2.886 N/A HIS 13.A N ALA 9.A O no hydrogen 2.940 N/A HIS 13.A NE2 SER 86.A O no hydrogen 2.742 N/A LEU 14.A N LEU 10.A O no hydrogen 2.934 N/A TYR 15.A N ALA 11.A O no hydrogen 2.913 N/A ASP 16.A N LYS 12.A O no hydrogen 2.912 N/A SER 17.A N HIS 13.A O no hydrogen 2.971 N/A SER 17.A OG HIS 13.A O no hydrogen 3.478 N/A SER 17.A OG LEU 14.A O no hydrogen 3.187 N/A SER 17.A OG SER 86.A OG no hydrogen 2.871 N/A TYR 18.A N LEU 14.A O no hydrogen 2.876 N/A TYR 18.A OH ASP 165.A OD1 no hydrogen 2.834 N/A ILE 19.A N TYR 15.A O no hydrogen 2.896 N/A LYS 20.A N ASP 16.A O no hydrogen 2.957 N/A LYS 20.A NZ ASP 16.A OD2 no hydrogen 2.835 N/A SER 21.A N TYR 18.A O no hydrogen 3.165 N/A SER 21.A OG SER 17.A O no hydrogen 2.665 N/A PHE 22.A N TYR 18.A O no hydrogen 2.999 N/A LYS 26.A N ASP 165.A OD1 no hydrogen 2.906 N/A LYS 26.A NZ LEU 163.A O no hydrogen 2.516 N/A ALA 27.A N ASP 165.A OD2 no hydrogen 3.198 N/A LYS 28.A N THR 25.A OG1 no hydrogen 3.280 N/A ALA 29.A N THR 25.A O no hydrogen 3.057 N/A ARG 30.A N LYS 26.A O no hydrogen 2.869 N/A ARG 30.A NH1 MET 118.A O no hydrogen 3.091 N/A ARG 30.A NH2 MET 118.A O no hydrogen 2.875 N/A ALA 31.A N ALA 27.A O no hydrogen 2.964 N/A ILE 32.A N LYS 28.A O no hydrogen 2.926 N/A LEU 33.A N ALA 29.A O no hydrogen 2.886 N/A THR 34.A N ARG 30.A O no hydrogen 2.971 N/A THR 34.A OG1 ARG 30.A O no hydrogen 2.648 N/A PHE 41.A N GLN 129.A O no hydrogen 3.225 N/A ILE 43.A N PHE 131.A O no hydrogen 2.835 N/A TYR 44.A N SER 48.A OG no hydrogen 2.941 N/A ASP 45.A N SER 48.A OG no hydrogen 3.043 N/A SER 48.A N ASP 45.A OD1 no hydrogen 2.938 N/A SER 48.A OG ASP 45.A O no hydrogen 3.141 N/A SER 48.A OG ASP 45.A OD1 no hydrogen 2.574 N/A LEU 49.A N ASP 45.A O no hydrogen 2.934 N/A MET 50.A N MET 46.A O no hydrogen 2.927 N/A MET 51.A N ASN 47.A O no hydrogen 2.927 N/A GLY 52.A N SER 48.A O no hydrogen 2.864 N/A GLU 53.A N LEU 49.A O no hydrogen 2.966 N/A ASP 54.A N MET 51.A O no hydrogen 3.073 N/A LYS 55.A N GLY 52.A O no hydrogen 3.159 N/A LYS 57.A N GLU 53.A O no hydrogen 3.441 N/A ARG 64.A N GLU 60.A O no hydrogen 2.907 N/A ILE 65.A N VAL 61.A O no hydrogen 2.934 N/A PHE 66.A N ALA 62.A O no hydrogen 2.943 N/A GLN 67.A N ILE 63.A O no hydrogen 2.869 N/A GLY 68.A N ARG 64.A O no hydrogen 2.919 N/A CYS 69.A N ILE 65.A O no hydrogen 2.956 N/A CYS 69.A SG ILE 65.A O no hydrogen 3.387 N/A GLN 70.A N PHE 66.A O no hydrogen 2.963 N/A GLN 70.A NE2 SER 248.A O no hydrogen 3.548 N/A PHE 71.A N GLN 67.A O no hydrogen 2.911 N/A ARG 72.A N GLY 68.A O no hydrogen 2.988 N/A ARG 72.A NH1 GLU 75.A OE1 no hydrogen 2.857 N/A ARG 72.A NH1 GLU 127.A OE2 no hydrogen 3.332 N/A SER 73.A N CYS 69.A O no hydrogen 2.925 N/A SER 73.A OG CYS 69.A O no hydrogen 2.476 N/A VAL 74.A N GLN 70.A O no hydrogen 2.928 N/A GLU 75.A N PHE 71.A O no hydrogen 3.034 N/A ALA 76.A N ARG 72.A O no hydrogen 2.907 N/A VAL 77.A N SER 73.A O no hydrogen 2.926 N/A GLN 78.A N VAL 74.A O no hydrogen 3.024 N/A GLU 79.A N GLU 75.A O no hydrogen 2.955 N/A ILE 80.A N ALA 76.A O no hydrogen 2.873 N/A THR 81.A N VAL 77.A O no hydrogen 2.912 N/A THR 81.A OG1 VAL 77.A O no hydrogen 2.859 N/A GLU 82.A N GLN 78.A O no hydrogen 3.009 N/A TYR 83.A N GLU 79.A O no hydrogen 2.923 N/A TYR 83.A OH ALA 169.A O no hydrogen 2.640 N/A ALA 84.A N ILE 80.A O no hydrogen 2.826 N/A LYS 85.A N THR 81.A O no hydrogen 3.028 N/A LYS 85.A NZ GLU 82.A OE2 no hydrogen 3.279 N/A SER 86.A N TYR 83.A O no hydrogen 2.867 N/A SER 86.A OG SER 17.A OG no hydrogen 2.871 N/A SER 86.A OG TYR 83.A O no hydrogen 2.523 N/A ILE 87.A N ALA 84.A O no hydrogen 3.013 N/A PHE 90.A N ILE 87.A O no hydrogen 3.009 N/A ASN 92.A N GLY 89.A O no hydrogen 3.116 N/A LEU 93.A N PHE 90.A O no hydrogen 3.127 N/A ASN 96.A N ASP 94.A OD1 no hydrogen 2.969 N/A ASN 96.A ND2 ASP 94.A OD1 no hydrogen 2.902 N/A GLN 98.A N ASP 94.A O no hydrogen 2.979 N/A GLN 98.A NE2 VAL 91.A O no hydrogen 3.043 N/A GLN 98.A NE2 LEU 93.A O no hydrogen 2.930 N/A VAL 99.A N LEU 95.A O no hydrogen 2.955 N/A THR 100.A N ASN 96.A O no hydrogen 2.949 N/A THR 100.A OG1 ASN 96.A O no hydrogen 2.870 N/A LEU 101.A N ASP 97.A O no hydrogen 2.870 N/A LEU 102.A N GLN 98.A O no hydrogen 2.963 N/A LYS 103.A N VAL 99.A O no hydrogen 2.877 N/A LYS 103.A NZ ILE 256.A O no hydrogen 2.951 N/A LYS 103.A NZ LYS 258.A O no hydrogen 2.753 N/A TYR 104.A N THR 100.A O no hydrogen 2.967 N/A GLY 105.A N LEU 102.A O no hydrogen 3.014 N/A VAL 106.A N LEU 102.A O no hydrogen 2.948 N/A HIS 107.A NE2 TYR 257.A OH no hydrogen 2.530 N/A ILE 109.A N GLY 105.A O no hydrogen 3.008 N/A ILE 110.A N VAL 106.A O no hydrogen 2.848 N/A TYR 111.A N HIS 107.A O no hydrogen 2.965 N/A THR 112.A N GLU 108.A O no hydrogen 2.960 N/A THR 112.A OG1 GLU 108.A O no hydrogen 2.900 N/A MET 113.A N ILE 109.A O no hydrogen 2.918 N/A LEU 114.A N ILE 110.A O no hydrogen 2.829 N/A ALA 115.A N TYR 111.A O no hydrogen 3.030 N/A SER 116.A N MET 113.A O no hydrogen 3.087 N/A SER 116.A OG MET 113.A O no hydrogen 3.414 N/A LEU 117.A N LEU 114.A O no hydrogen 2.852 N/A MET 118.A N ALA 115.A O no hydrogen 3.084 N/A ASN 119.A N GLY 122.A O no hydrogen 2.945 N/A ASP 121.A N ASN 119.A OD1 no hydrogen 2.762 N/A GLY 122.A N ASN 119.A O no hydrogen 3.222 N/A VAL 123.A N MET 132.A O no hydrogen 2.936 N/A LEU 124.A N LEU 117.A O no hydrogen 2.960 N/A ILE 125.A N GLY 130.A O no hydrogen 2.871 N/A SER 126.A OG GLN 129.A OE1 no hydrogen 3.422 N/A GLN 129.A N SER 126.A O no hydrogen 2.993 N/A GLY 130.A N ILE 125.A O no hydrogen 2.913 N/A PHE 131.A N PHE 41.A O no hydrogen 2.903 N/A MET 132.A N VAL 123.A O no hydrogen 2.892 N/A THR 133.A N ILE 43.A O no hydrogen 2.939 N/A THR 133.A OG1 ILE 43.A O no hydrogen 3.535 N/A ARG 134.A N ASP 121.A O no hydrogen 2.878 N/A ARG 134.A NE GLU 149.A OE1 no hydrogen 3.192 N/A ARG 134.A NE GLU 149.A OE2 no hydrogen 3.155 N/A ARG 134.A NH1 LYS 120.A O no hydrogen 3.515 N/A ARG 134.A NH2 GLU 149.A OE2 no hydrogen 2.579 N/A PHE 136.A N THR 133.A OG1 no hydrogen 3.321 N/A LEU 137.A N THR 133.A O no hydrogen 3.212 N/A LYS 138.A N ARG 134.A O no hydrogen 2.949 N/A SER 139.A N GLU 135.A O no hydrogen 3.036 N/A SER 139.A N PHE 136.A O no hydrogen 3.237 N/A SER 139.A OG PHE 136.A O no hydrogen 2.700 N/A LEU 140.A N LEU 137.A O no hydrogen 3.446 N/A ARG 141.A NE GLU 60.A OE2 no hydrogen 2.879 N/A ARG 141.A NH1 LYS 142.A O no hydrogen 3.508 N/A ARG 141.A NH1 GLU 244.A OE2 no hydrogen 2.954 N/A ARG 141.A NH2 GLU 60.A OE1 no hydrogen 2.927 N/A ARG 141.A NH2 GLU 60.A OE2 no hydrogen 3.130 N/A ARG 141.A NH2 GLU 244.A OE1 no hydrogen 3.371 N/A PHE 144.A N ARG 141.A O no hydrogen 2.856 N/A PHE 147.A N PHE 144.A O no hydrogen 3.335 N/A LYS 151.A NZ PHE 147.A O no hydrogen 2.649 N/A LYS 151.A NZ HIS 233.A ND1 no hydrogen 3.203 N/A PHE 152.A N MET 148.A O no hydrogen 3.037 N/A GLU 153.A N GLU 149.A O no hydrogen 2.910 N/A PHE 154.A N PRO 150.A O no hydrogen 2.930 N/A ALA 155.A N LYS 151.A O no hydrogen 2.878 N/A VAL 156.A N PHE 152.A O no hydrogen 2.952 N/A PHE 158.A N PHE 154.A O no hydrogen 2.880 N/A ASN 159.A N ALA 155.A O no hydrogen 2.861 N/A ASN 159.A ND2 ALA 115.A O no hydrogen 2.874 N/A ALA 160.A N VAL 156.A O no hydrogen 2.995 N/A LEU 161.A N PHE 158.A O no hydrogen 3.015 N/A GLU 162.A N ASN 159.A O no hydrogen 2.968 N/A ASP 164.A N ASP 167.A OD2 no hydrogen 2.957 N/A SER 166.A OG ASP 164.A OD1 no hydrogen 2.637 N/A ASP 167.A N ASP 164.A O no hydrogen 3.024 N/A ASP 167.A N ASP 164.A OD1 no hydrogen 3.398 N/A LEU 168.A N ASP 164.A O no hydrogen 3.072 N/A ALA 169.A N ASP 165.A O no hydrogen 2.939 N/A PHE 171.A N ASP 167.A O no hydrogen 3.008 N/A ILE 172.A N LEU 168.A O no hydrogen 2.876 N/A ALA 173.A N ALA 169.A O no hydrogen 3.046 N/A VAL 174.A N ILE 170.A O no hydrogen 2.879 N/A ILE 175.A N PHE 171.A O no hydrogen 2.947 N/A ILE 176.A N ILE 172.A O no hydrogen 2.933 N/A LEU 177.A N ALA 173.A O no hydrogen 3.220 N/A SER 178.A OG ILE 175.A O no hydrogen 2.652 N/A ARG 181.A NH1 GLU 108.A OE2 no hydrogen 3.050 N/A ARG 181.A NH2 GLU 108.A OE1 no hydrogen 2.905 N/A ARG 181.A NH2 ILE 175.A O no hydrogen 3.354 N/A LEU 185.A N ASP 97.A OD1 no hydrogen 2.817 N/A LEU 185.A N ASP 97.A OD2 no hydrogen 3.240 N/A ASN 186.A N ASP 97.A OD2 no hydrogen 2.931 N/A LYS 188.A NZ ASP 192.A OD1 no hydrogen 2.812 N/A GLU 191.A N VAL 187.A O no hydrogen 2.904 N/A ASP 192.A N LYS 188.A O no hydrogen 2.893 N/A ILE 193.A N PRO 189.A O no hydrogen 2.957 N/A GLN 194.A N ILE 190.A O no hydrogen 2.918 N/A GLN 194.A NE2 VAL 174.A O no hydrogen 3.138 N/A ASP 195.A N GLU 191.A O no hydrogen 2.902 N/A LEU 197.A N ILE 193.A O no hydrogen 2.954 N/A LEU 198.A N GLN 194.A O no hydrogen 2.838 N/A GLN 199.A N ASP 195.A O no hydrogen 2.967 N/A ALA 200.A N ASN 196.A O no hydrogen 2.921 N/A LEU 201.A N LEU 197.A O no hydrogen 2.896 N/A GLU 202.A N LEU 198.A O no hydrogen 2.913 N/A LEU 203.A N GLN 199.A O no hydrogen 2.951 N/A GLN 204.A N ALA 200.A O no hydrogen 2.900 N/A GLN 204.A NE2 ASP 167.A OD1 no hydrogen 2.850 N/A LEU 205.A N LEU 201.A O no hydrogen 2.907 N/A LYS 206.A N GLU 202.A O no hydrogen 2.920 N/A LYS 206.A NZ GLU 202.A OE2 no hydrogen 3.397 N/A LEU 207.A N LEU 203.A O no hydrogen 2.911 N/A LEU 207.A N GLN 204.A O no hydrogen 3.254 N/A ASN 208.A N GLN 204.A O no hydrogen 2.939 N/A ASN 208.A ND2 ASP 164.A OD2 no hydrogen 2.848 N/A ASN 208.A ND2 ASP 167.A OD1 no hydrogen 3.274 N/A ASN 208.A ND2 ASP 167.A OD2 no hydrogen 3.462 N/A HIS 209.A N LEU 205.A O no hydrogen 2.930 N/A HIS 209.A NE2 ASP 167.A OD2 no hydrogen 2.846 N/A LEU 215.A N GLU 211.A O no hydrogen 2.966 N/A PHE 216.A N SER 212.A O no hydrogen 2.841 N/A ALA 217.A N SER 213.A O no hydrogen 2.916 N/A LYS 218.A N GLN 214.A O no hydrogen 2.870 N/A LEU 219.A N LEU 215.A O no hydrogen 2.890 N/A LEU 220.A N PHE 216.A O no hydrogen 2.925 N/A GLN 221.A N ALA 217.A O no hydrogen 2.923 N/A LYS 222.A N LYS 218.A O no hydrogen 2.980 N/A LYS 222.A N LEU 219.A O no hydrogen 3.011 N/A LYS 222.A NZ LYS 218.A O no hydrogen 3.368 N/A MET 223.A N LEU 220.A O no hydrogen 3.261 N/A THR 224.A N GLN 221.A O no hydrogen 3.097 N/A THR 224.A OG1 GLN 221.A O no hydrogen 3.569 N/A THR 224.A OG1 GLN 221.A OE1 no hydrogen 3.015 N/A LEU 226.A N LYS 222.A O no hydrogen 2.940 N/A ARG 227.A N MET 223.A O no hydrogen 2.930 N/A GLN 228.A N THR 224.A O no hydrogen 2.937 N/A ILE 229.A N ASP 225.A O no hydrogen 2.983 N/A VAL 230.A N LEU 226.A O no hydrogen 2.982 N/A THR 231.A N ARG 227.A O no hydrogen 2.961 N/A THR 231.A OG1 ARG 227.A O no hydrogen 3.193 N/A GLU 232.A N GLN 228.A O no hydrogen 2.988 N/A HIS 233.A N ILE 229.A O no hydrogen 2.938 N/A VAL 234.A N VAL 230.A O no hydrogen 2.941 N/A GLN 235.A N THR 231.A O no hydrogen 3.002 N/A LEU 236.A N GLU 232.A O no hydrogen 2.955 N/A LEU 237.A N HIS 233.A O no hydrogen 2.896 N/A GLN 238.A N VAL 234.A O no hydrogen 2.939 N/A VAL 239.A N GLN 235.A O no hydrogen 3.051 N/A ILE 240.A N LEU 236.A O no hydrogen 2.907 N/A LYS 241.A N LEU 237.A O no hydrogen 2.904 N/A LYS 242.A N GLN 238.A O no hydrogen 2.999 N/A LYS 242.A N VAL 239.A O no hydrogen 2.894 N/A THR 243.A N VAL 239.A O no hydrogen 2.942 N/A THR 243.A OG1 VAL 239.A O no hydrogen 3.412 N/A THR 243.A OG1 GLU 244.A OE2 no hydrogen 3.212 N/A GLU 244.A N ILE 240.A O no hydrogen 2.706 N/A HIS 250.A N GLN 70.A OE1 no hydrogen 2.568 N/A LEU 252.A N HIS 250.A ND1 no hydrogen 3.163 N/A GLN 254.A N HIS 250.A O no hydrogen 2.876 N/A GLN 254.A NE2 LEU 249.A O no hydrogen 2.568 N/A GLU 255.A N PRO 251.A O no hydrogen 2.900 N/A ILE 256.A N LEU 252.A O no hydrogen 2.976 N/A TYR 257.A N LEU 253.A O no hydrogen 2.898 N/A TYR 257.A OH HIS 107.A NE2 no hydrogen 2.530 N/A TYR 257.A OH HIS 233.A NE2 no hydrogen 2.736 N/A LYS 258.A N GLN 254.A O no hydrogen 2.858 N/A LEU 260.A N TYR 257.A O no hydrogen 3.318 N/A