Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4d45_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N LEU 29.A O no hydrogen 2.865 N/A GLU 3.A N ASN 1.A OD1 no hydrogen 3.194 N/A LYS 5.A N LEU 2.A O no hydrogen 3.056 N/A THR 6.A N ASP 86.A OD2 no hydrogen 2.764 N/A TYR 7.A N LYS 32.A O no hydrogen 3.020 N/A TYR 7.A OH LEU 232.A O no hydrogen 2.820 N/A VAL 8.A N GLY 87.A O no hydrogen 3.055 N/A ILE 9.A N VAL 34.A O no hydrogen 2.852 N/A MET 10.A N TYR 89.A O no hydrogen 2.855 N/A GLY 11.A N THR 36.A O no hydrogen 3.336 N/A ALA 13.A N SER 17.A OG no hydrogen 2.809 N/A ASN 14.A N SER 17.A OG no hydrogen 3.241 N/A ARG 16.A N ASN 14.A OD1 no hydrogen 2.742 N/A SER 17.A N ASN 14.A O no hydrogen 2.988 N/A SER 17.A OG ASN 14.A O no hydrogen 3.467 N/A PHE 20.A N SER 17.A O no hydrogen 2.868 N/A GLY 21.A N SER 17.A O no hydrogen 3.429 N/A GLY 21.A N ILE 18.A O no hydrogen 2.908 N/A VAL 22.A N ILE 18.A O no hydrogen 3.135 N/A ALA 23.A N ALA 19.A O no hydrogen 2.966 N/A LYS 24.A N PHE 20.A O no hydrogen 2.899 N/A VAL 25.A N GLY 21.A O no hydrogen 3.230 N/A LEU 26.A N VAL 22.A O no hydrogen 2.959 N/A ASP 27.A N ALA 23.A O no hydrogen 2.702 N/A GLN 28.A N LYS 24.A O no hydrogen 3.027 N/A LEU 29.A N VAL 25.A O no hydrogen 3.009 N/A GLY 30.A N ASP 27.A O no hydrogen 3.163 N/A ALA 31.A N LEU 26.A O no hydrogen 3.057 N/A LYS 32.A N LYS 5.A O no hydrogen 2.803 N/A LEU 33.A N GLN 55.A OE1 no hydrogen 2.756 N/A VAL 34.A N TYR 7.A O no hydrogen 2.975 N/A PHE 35.A N HIS 59.A O no hydrogen 2.970 N/A THR 36.A N ILE 9.A O no hydrogen 3.024 N/A TYR 37.A N TYR 61.A O no hydrogen 3.177 N/A ARG 41.A NH1 ARG 41.A O no hydrogen 3.443 N/A ARG 41.A NH1 GLU 45.A OE2 no hydrogen 2.830 N/A ARG 41.A NH2 GLU 45.A OE2 no hydrogen 3.498 N/A ARG 43.A N LYS 39.A O no hydrogen 3.149 N/A ARG 43.A NE GLU 40.A OE1.B no hydrogen 2.965 N/A ARG 43.A NH1 GLU 47.A OE2 no hydrogen 2.986 N/A ARG 43.A NH2 GLU 40.A OE1.B no hydrogen 2.998 N/A LYS 44.A N GLU 40.A O no hydrogen 3.060 N/A GLU 45.A N ARG 41.A O no hydrogen 3.047 N/A LEU 46.A N SER 42.A O no hydrogen 2.867 N/A GLU 47.A N ARG 43.A O no hydrogen 2.872 N/A LYS 48.A N LYS 44.A O no hydrogen 3.146 N/A LYS 48.A NZ GLU 45.A OE1 no hydrogen 3.321 N/A LYS 48.A NZ GLU 45.A OE2 no hydrogen 2.883 N/A LEU 49.A N GLU 45.A O no hydrogen 2.832 N/A LEU 50.A N LEU 46.A O no hydrogen 2.996 N/A GLU 51.A N LYS 48.A O no hydrogen 3.129 N/A GLN 52.A N LEU 49.A O no hydrogen 3.122 N/A LEU 53.A N LEU 50.A O no hydrogen 3.223 N/A ASN 54.A N ASP 27.A OD1 no hydrogen 3.040 N/A ASN 54.A N ASP 27.A OD2 no hydrogen 3.031 N/A GLN 55.A NE2 ASP 27.A OD1 no hydrogen 2.591 N/A GLN 55.A NE2 ALA 31.A O no hydrogen 3.052 N/A TYR 61.A N PHE 35.A O no hydrogen 3.015 N/A TYR 61.A OH ASP 81.A OD2 no hydrogen 2.609 N/A GLN 62.A NE2 ARG 38.A O no hydrogen 2.682 N/A ILE 63.A N TYR 37.A O no hydrogen 2.710 N/A ASP 64.A N GLU 70.A OE1 no hydrogen 2.988 N/A GLN 66.A N ASP 64.A OD1 no hydrogen 2.990 N/A GLN 66.A NE2 ASP 117.A OD2 no hydrogen 3.110 N/A SER 67.A N ASP 64.A O no hydrogen 3.003 N/A GLU 69.A N GLU 69.A OE1.A no hydrogen 2.953 N/A GLU 70.A N SER 67.A OG no hydrogen 3.088 N/A VAL 71.A N SER 67.A O no hydrogen 3.122 N/A ILE 72.A N ASP 68.A O no hydrogen 2.682 N/A ASN 73.A N GLU 69.A O no hydrogen 2.761 N/A GLY 74.A N GLU 70.A O no hydrogen 2.713 N/A PHE 75.A N VAL 71.A O no hydrogen 3.091 N/A GLU 76.A N ILE 72.A O no hydrogen 3.109 N/A GLN 77.A N ASN 73.A O no hydrogen 2.940 N/A GLN 77.A NE2 GLN 77.A O no hydrogen 3.312 N/A GLN 77.A NE2 ASP 81.A OD2 no hydrogen 3.308 N/A ILE 78.A N GLY 74.A O no hydrogen 2.960 N/A GLY 79.A N PHE 75.A O no hydrogen 3.033 N/A LYS 80.A N GLU 76.A O no hydrogen 3.037 N/A LYS 80.A NZ GLU 76.A OE2 no hydrogen 3.112 N/A ASP 81.A N GLN 77.A O no hydrogen 2.829 N/A VAL 82.A N ILE 78.A O no hydrogen 2.849 N/A GLY 83.A N GLY 79.A O no hydrogen 3.016 N/A ILE 85.A N LEU 133.A O no hydrogen 2.908 N/A ASP 86.A N THR 6.A O no hydrogen 2.711 N/A VAL 88.A N SER 139.A O no hydrogen 2.890 N/A TYR 89.A N VAL 8.A O no hydrogen 2.704 N/A TYR 89.A OH THR 143.A OG1 no hydrogen 2.640 N/A HIS 90.A N VAL 141.A O no hydrogen 2.779 N/A HIS 90.A NE2 SER 122.A OG no hydrogen 2.917 N/A SER 91.A N MET 10.A O no hydrogen 3.017 N/A PHE 94.A N SER 119.A OG no hydrogen 3.171 N/A LEU 100.A N ASN 96.A O no hydrogen 3.005 N/A ARG 101.A N MET 97.A O no hydrogen 2.834 N/A ARG 101.A NE GLY 198.A O no hydrogen 3.485 N/A ARG 101.A NH2 LYS 197.A O no hydrogen 3.007 N/A GLY 102.A N ASP 99.A O no hydrogen 3.066 N/A GLU 106.A N ARG 103.A O no hydrogen 2.985 N/A THR 107.A N PHE 104.A O no hydrogen 2.822 N/A THR 107.A OG1 PHE 104.A O no hydrogen 2.751 N/A SER 108.A N ASP 99.A OD1 no hydrogen 3.078 N/A SER 108.A OG ASP 99.A OD1 no hydrogen 3.173 N/A SER 108.A OG ASP 99.A OD2 no hydrogen 3.486 N/A GLY 111.A N SER 108.A OG no hydrogen 2.864 N/A PHE 112.A N SER 108.A O no hydrogen 2.884 N/A LEU 113.A N ARG 109.A O no hydrogen 3.060 N/A LEU 114.A N GLU 110.A O no hydrogen 2.856 N/A ALA 115.A N GLY 111.A O no hydrogen 2.984 N/A GLN 116.A N PHE 112.A O no hydrogen 3.027 N/A GLN 116.A NE2 VAL 160.A O no hydrogen 3.422 N/A ASP 117.A N LEU 113.A O no hydrogen 2.822 N/A ILE 118.A N LEU 114.A O no hydrogen 3.107 N/A SER 119.A N ALA 115.A O no hydrogen 2.941 N/A SER 119.A OG PHE 94.A O no hydrogen 3.398 N/A SER 119.A OG ALA 115.A O no hydrogen 3.016 N/A SER 120.A N GLN 116.A O no hydrogen 2.988 N/A SER 120.A OG SER 164.A OG no hydrogen 2.775 N/A TYR 121.A N GLN 116.A O no hydrogen 2.964 N/A SER 122.A N ASP 117.A O no hydrogen 3.103 N/A SER 122.A OG HIS 90.A NE2 no hydrogen 2.917 N/A SER 122.A OG ILE 118.A O no hydrogen 2.512 N/A LEU 123.A N SER 120.A O no hydrogen 2.840 N/A THR 124.A OG1 TYR 121.A O no hydrogen 3.510 N/A THR 124.A OG1 ASN 168.A OD1 no hydrogen 2.887 N/A ILE 125.A N TYR 121.A O no hydrogen 3.257 N/A VAL 126.A N SER 122.A O no hydrogen 2.994 N/A ALA 127.A N LEU 123.A O no hydrogen 2.956 N/A HIS 128.A N THR 124.A O no hydrogen 3.036 N/A HIS 128.A ND1 GLU 129.A OE2 no hydrogen 2.962 N/A GLU 129.A N ILE 125.A O no hydrogen 3.051 N/A ALA 130.A N VAL 126.A O no hydrogen 2.822 N/A LYS 131.A N ALA 127.A O no hydrogen 2.815 N/A LYS 132.A NZ GLU 129.A OE1 no hydrogen 2.996 N/A LEU 133.A N ALA 130.A O no hydrogen 2.846 N/A MET 134.A N LYS 131.A O no hydrogen 2.882 N/A GLY 137.A N MET 134.A O no hydrogen 3.034 N/A GLY 138.A N ASN 180.A O no hydrogen 2.928 N/A SER 139.A N ASP 86.A O no hydrogen 3.017 N/A SER 139.A OG LEU 231.A O no hydrogen 2.584 N/A ILE 140.A N ARG 182.A O no hydrogen 2.822 N/A VAL 141.A N VAL 88.A O no hydrogen 2.930 N/A ALA 142.A N ASN 184.A O no hydrogen 3.168 N/A THR 143.A OG1 TYR 89.A OH no hydrogen 2.640 N/A THR 143.A OG1 HIS 90.A O no hydrogen 3.029 N/A THR 144.A N ILE 186.A O no hydrogen 2.685 N/A THR 144.A OG1 TYR 145.A O no hydrogen 3.493 N/A THR 144.A OG1 GLU 166.A OE2 no hydrogen 2.610 N/A GLY 148.A N TYR 145.A O no hydrogen 2.818 N/A GLU 149.A N LEU 146.A O no hydrogen 3.014 N/A PHE 150.A N LEU 146.A O no hydrogen 3.279 N/A TYR 155.A N VAL 152.A O no hydrogen 3.441 N/A ASN 156.A ND2 LEU 100.A O no hydrogen 3.002 N/A MET 158.A N TYR 155.A O no hydrogen 2.859 N/A GLY 159.A N TYR 155.A O no hydrogen 3.273 N/A GLY 159.A N ASN 156.A O no hydrogen 2.849 N/A ALA 161.A N VAL 157.A O no hydrogen 3.023 N/A LYS 162.A N MET 158.A O no hydrogen 2.870 N/A LYS 162.A NZ THR 143.A O no hydrogen 2.889 N/A ALA 163.A N GLY 159.A O no hydrogen 2.907 N/A SER 164.A N VAL 160.A O no hydrogen 3.227 N/A SER 164.A OG GLN 116.A OE1 no hydrogen 2.753 N/A SER 164.A OG SER 120.A OG no hydrogen 2.775 N/A LEU 165.A N ALA 161.A O no hydrogen 2.884 N/A GLU 166.A N LYS 162.A O no hydrogen 2.822 N/A ALA 167.A N ALA 163.A O no hydrogen 3.250 N/A ASN 168.A N SER 164.A O no hydrogen 2.774 N/A ASN 168.A ND2 SER 120.A OG no hydrogen 3.030 N/A ASN 168.A ND2 THR 124.A OG1 no hydrogen 2.838 N/A VAL 169.A N LEU 165.A O no hydrogen 2.873 N/A LYS 170.A N GLU 166.A O no hydrogen 3.223 N/A TYR 171.A N ALA 167.A O no hydrogen 2.782 N/A LEU 172.A N ASN 168.A O no hydrogen 2.874 N/A ALA 173.A N VAL 169.A O no hydrogen 2.867 N/A LEU 174.A N LYS 170.A O no hydrogen 3.099 N/A ASP 175.A N TYR 171.A O no hydrogen 2.970 N/A LEU 176.A N LEU 172.A O no hydrogen 2.847 N/A GLY 177.A N ALA 173.A O no hydrogen 2.937 N/A ASP 179.A N LEU 176.A O no hydrogen 2.682 N/A ASN 180.A N GLY 177.A O no hydrogen 2.888 N/A ASN 180.A ND2 GLU 136.A O no hydrogen 3.513 N/A ILE 181.A N LEU 176.A O no hydrogen 3.305 N/A ARG 182.A N GLY 138.A O no hydrogen 2.955 N/A ARG 182.A NH1 LEU 231.A O no hydrogen 3.270 N/A ARG 182.A NH1 SER 236.A OG no hydrogen 2.687 N/A ARG 182.A NH1 VAL 239.A O no hydrogen 3.304 N/A ARG 182.A NH2 LEU 231.A O no hydrogen 3.303 N/A VAL 183.A N THR 240.A OG1 no hydrogen 3.138 N/A ASN 184.A N ILE 140.A O no hydrogen 2.985 N/A ASN 184.A ND2 VAL 239.A O no hydrogen 3.251 N/A ALA 185.A N GLU 242.A O no hydrogen 2.771 N/A ILE 186.A N ALA 142.A O no hydrogen 2.995 N/A SER 187.A N ILE 244.A O no hydrogen 2.909 N/A ALA 188.A N THR 144.A O no hydrogen 3.187 N/A GLY 189.A N VAL 246.A O no hydrogen 2.857 N/A ARG 192.A NH1 ASN 203.A OD1 no hydrogen 2.760 N/A ARG 192.A NH2 ASN 203.A OD1 no hydrogen 2.507 N/A ALA 196.A N THR 193.A OG1 no hydrogen 3.145 N/A LYS 197.A N LEU 194.A O no hydrogen 3.152 N/A GLY 198.A N SER 195.A O no hydrogen 2.880 N/A VAL 199.A N ALA 196.A O no hydrogen 3.069 N/A ILE 205.A N GLY 201.A O no hydrogen 3.197 N/A LEU 206.A N PHE 202.A O no hydrogen 3.168 N/A LYS 207.A N ASN 203.A O no hydrogen 2.993 N/A GLU 208.A N THR 204.A O no hydrogen 3.082 N/A ILE 209.A N ILE 205.A O no hydrogen 3.210 N/A GLU 210.A N LEU 206.A O no hydrogen 3.201 N/A GLU 211.A N LYS 207.A O no hydrogen 2.894 N/A ARG 212.A N GLU 208.A O no hydrogen 2.892 N/A ARG 212.A N ILE 209.A O no hydrogen 3.293 N/A ARG 212.A NH1 GLU 208.A OE2 no hydrogen 3.288 N/A ALA 213.A N ILE 209.A O no hydrogen 3.054 N/A LEU 215.A N SER 248.A O no hydrogen 3.252 N/A LYS 216.A N ALA 213.A O no hydrogen 2.672 N/A LYS 216.A NZ GLU 211.A O no hydrogen 3.244 N/A ARG 217.A NH1 ASN 218.A O no hydrogen 2.946 N/A ARG 217.A NH1 GLU 223.A OE1 no hydrogen 3.024 N/A ARG 217.A NH2 GLU 223.A OE2 no hydrogen 2.877 N/A ASN 218.A ND2 LEU 206.A O no hydrogen 2.935 N/A GLN 221.A N GLN 221.A OE1 no hydrogen 2.829 N/A GLN 221.A NE2 ARG 16.A O no hydrogen 2.783 N/A GLU 223.A N ASP 220.A O no hydrogen 2.940 N/A GLU 223.A N ASP 220.A OD1 no hydrogen 3.022 N/A VAL 224.A N ASP 220.A O no hydrogen 3.263 N/A GLY 225.A N GLN 221.A O no hydrogen 2.833 N/A LYS 226.A N VAL 222.A O no hydrogen 2.866 N/A THR 227.A N GLU 223.A O no hydrogen 3.277 N/A ALA 228.A N VAL 224.A O no hydrogen 2.830 N/A ALA 229.A N GLY 225.A O no hydrogen 2.863 N/A TYR 230.A N LYS 226.A O no hydrogen 3.231 N/A LEU 231.A N THR 227.A O no hydrogen 2.959 N/A LEU 232.A N ALA 228.A O no hydrogen 2.880 N/A SER 233.A N TYR 230.A O no hydrogen 3.294 N/A SER 233.A OG ALA 229.A O no hydrogen 3.164 N/A SER 233.A OG TYR 230.A O no hydrogen 3.063 N/A LEU 235.A N SER 233.A OG no hydrogen 3.116 N/A SER 236.A N SER 233.A O no hydrogen 3.426 N/A SER 236.A OG TYR 230.A O no hydrogen 2.964 N/A SER 236.A OG LEU 231.A O no hydrogen 3.164 N/A SER 236.A OG SER 233.A O no hydrogen 3.308 N/A SER 237.A N.A ASP 234.A O no hydrogen 3.329 N/A VAL 239.A N SER 236.A O no hydrogen 3.024 N/A THR 240.A OG1 VAL 183.A O no hydrogen 3.526 N/A GLY 241.A N VAL 183.A O no hydrogen 2.839 N/A GLU 242.A N ASN 184.A OD1 no hydrogen 2.928 N/A ASN 243.A N GLU 242.A OE1 no hydrogen 2.944 N/A ILE 244.A N ALA 185.A O no hydrogen 2.903 N/A HIS 245.A NE2 GLU 149.A OE1 no hydrogen 2.737 N/A VAL 246.A N SER 187.A O no hydrogen 2.807 N/A SER 248.A OG ARG 217.A O no hydrogen 2.728 N/A GLY 249.A N ASP 247.A OD1 no hydrogen 3.125 N/A PHE 250.A N ASP 247.A O no hydrogen 3.369 N/A HIS 251.A N ASP 247.A OD2 no hydrogen 2.872 N/A HIS 251.A ND1 ASP 247.A OD1 no hydrogen 3.139 N/A ALA 252.A N GLY 249.A O no hydrogen 2.997 N/A ILE 253.A N PHE 250.A O no hydrogen 3.396 N/A