Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2p1f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 7.A N TYR 253.A OH no hydrogen 2.923 N/A GLY 8.A N GLN 28.A OE1.A no hydrogen 2.975 N/A GLY 8.A N GLN 28.A OE1.B no hydrogen 2.907 N/A ALA 9.A N SER 6.A OG no hydrogen 3.052 N/A ARG 10.A N SER 6.A O no hydrogen 2.884 N/A ARG 10.A NE PRO 189.A O no hydrogen 2.890 N/A ARG 10.A NH1 PRO 189.A O no hydrogen 3.180 N/A ARG 10.A NH1 ASP 224.A OD2 no hydrogen 3.032 N/A ARG 10.A NH2 ASP 224.A OD1 no hydrogen 2.761 N/A ALA 11.A N PHE 7.A O no hydrogen 2.988 N/A GLU 12.A N ALA 9.A O no hydrogen 3.025 N/A LEU 13.A N ARG 10.A O no hydrogen 3.101 N/A ILE 16.A N LEU 13.A O no hydrogen 3.098 N/A VAL 19.A N HIS 17.A ND1 no hydrogen 3.006 N/A SER 21.A N.A HIS 17.A O no hydrogen 2.881 N/A SER 21.A N.B HIS 17.A O no hydrogen 2.848 N/A SER 21.A OG.A PRO 18.A O no hydrogen 2.840 N/A SER 21.A OG.B ALA 11.A O no hydrogen 2.681 N/A LYS 22.A N PRO 18.A O no hydrogen 3.023 N/A LEU 23.A N VAL 19.A O no hydrogen 3.036 N/A LEU 24.A N ALA 20.A O no hydrogen 2.811 N/A ARG 25.A N.A SER 21.A O.A no hydrogen 2.990 N/A ARG 25.A N.A SER 21.A O.B no hydrogen 2.916 N/A ARG 25.A N.B SER 21.A O.A no hydrogen 2.958 N/A ARG 25.A N.B SER 21.A O.B no hydrogen 2.882 N/A LEU 26.A N LYS 22.A O no hydrogen 3.173 N/A MET 27.A N LEU 23.A O no hydrogen 2.919 N/A GLN 28.A N.A LEU 24.A O no hydrogen 3.122 N/A GLN 28.A N.B LEU 24.A O no hydrogen 3.072 N/A GLN 28.A NE2.B GLN 28.A O.B no hydrogen 3.517 N/A LYS 29.A N ARG 25.A O.A no hydrogen 2.985 N/A LYS 29.A N ARG 25.A O.B no hydrogen 2.886 N/A LYS 29.A NZ GLU 85.A OE2 no hydrogen 2.709 N/A LYS 30.A N LEU 26.A O no hydrogen 2.916 N/A LYS 30.A NZ GLY 54.A O no hydrogen 2.789 N/A LYS 30.A NZ ILE 57.A O no hydrogen 2.771 N/A LYS 30.A NZ HIS 84.A O no hydrogen 2.767 N/A LYS 30.A NZ GLU 85.A O no hydrogen 2.809 N/A THR 32.A N MET 27.A O no hydrogen 3.140 N/A THR 32.A OG1 SER 56.A O no hydrogen 2.713 N/A ASN 33.A ND2 ASP 224.A O no hydrogen 2.912 N/A ASN 33.A ND2 ALA 249.A O no hydrogen 3.209 N/A LEU 34.A N THR 32.A OG1 no hydrogen 3.155 N/A CYS 35.A N ILE 226.A O no hydrogen 2.751 N/A CYS 35.A SG MET 59.A O no hydrogen 3.925 N/A LEU 36.A N MET 59.A O no hydrogen 2.984 N/A SER 37.A N VAL 228.A O no hydrogen 2.852 N/A SER 37.A OG ASP 39.A OD2 no hydrogen 3.041 N/A ALA 38.A N LYS 61.A O no hydrogen 2.908 N/A ASP 39.A N SER 37.A O no hydrogen 2.882 N/A VAL 40.A N ALA 38.A O no hydrogen 2.977 N/A ALA 43.A N ASP 69.A OD1 no hydrogen 2.811 N/A LEU 46.A N LEU 42.A O no hydrogen 3.034 N/A LEU 47.A N ALA 43.A O no hydrogen 2.921 N/A GLN 48.A N ARG 44.A O.A no hydrogen 2.874 N/A GLN 48.A N ARG 44.A O.B no hydrogen 2.995 N/A LEU 49.A N GLU 45.A O.A no hydrogen 2.909 N/A LEU 49.A N GLU 45.A O.B no hydrogen 2.843 N/A ALA 50.A N LEU 46.A O no hydrogen 2.887 N/A ASP 51.A N LEU 47.A O no hydrogen 2.992 N/A ALA 52.A N GLN 48.A O no hydrogen 3.050 N/A LEU 53.A N LEU 49.A O no hydrogen 2.854 N/A SER 56.A N LEU 53.A O no hydrogen 2.809 N/A SER 56.A OG GLU 243.A OE2 no hydrogen 2.651 N/A ILE 57.A N GLY 54.A O no hydrogen 3.281 N/A CYS 58.A N LEU 34.A O no hydrogen 2.872 N/A CYS 58.A SG LEU 34.A O no hydrogen 3.553 N/A LEU 60.A N LEU 87.A O no hydrogen 2.879 N/A LYS 61.A N LEU 36.A O no hydrogen 2.772 N/A LYS 61.A NZ SER 37.A OG no hydrogen 3.233 N/A LYS 61.A NZ ASP 91.A OD2 no hydrogen 2.647 N/A THR 62.A N PHE 89.A O no hydrogen 2.835 N/A THR 62.A OG1 GLU 90.A OE1 no hydrogen 2.705 N/A VAL 64.A N.A GLU 90.A OE1 no hydrogen 2.956 N/A VAL 64.A N.B GLU 90.A OE1 no hydrogen 2.897 N/A ILE 66.A N.A HIS 63.A O no hydrogen 3.083 N/A ILE 66.A N.B HIS 63.A O no hydrogen 3.121 N/A LEU 67.A N VAL 64.A O.A no hydrogen 3.313 N/A LEU 67.A N VAL 64.A O.B no hydrogen 3.073 N/A ASN 68.A N SER 41.A O no hydrogen 2.860 N/A PHE 70.A N LEU 67.A O no hydrogen 3.481 N/A VAL 74.A N THR 71.A O no hydrogen 3.080 N/A VAL 74.A N THR 71.A OG1 no hydrogen 3.138 N/A LYS 76.A N LEU 72.A O no hydrogen 2.962 N/A LYS 76.A NZ ASP 73.A O.A no hydrogen 3.333 N/A LYS 76.A NZ ASP 73.A O.B no hydrogen 3.441 N/A LYS 76.A NZ ASP 73.A OD1.B no hydrogen 2.757 N/A LYS 76.A NZ GLU 77.A OE2.A no hydrogen 3.176 N/A GLU 77.A N.A ASP 73.A O.A no hydrogen 3.085 N/A GLU 77.A N.A ASP 73.A O.B no hydrogen 2.977 N/A GLU 77.A N.B ASP 73.A O.A no hydrogen 3.071 N/A GLU 77.A N.B ASP 73.A O.B no hydrogen 2.962 N/A LEU 78.A N VAL 74.A O no hydrogen 2.919 N/A ILE 79.A N MET 75.A O no hydrogen 2.873 N/A THR 80.A N LYS 76.A O no hydrogen 3.052 N/A THR 80.A OG1 LYS 76.A O no hydrogen 3.274 N/A LEU 81.A N GLU 77.A O.A no hydrogen 3.199 N/A LEU 81.A N GLU 77.A O.B no hydrogen 3.151 N/A ALA 82.A N LEU 78.A O no hydrogen 2.874 N/A LYS 83.A N ILE 79.A O no hydrogen 2.867 N/A HIS 84.A NE2 ASP 51.A OD1 no hydrogen 2.722 N/A PHE 86.A N ALA 82.A O no hydrogen 3.029 N/A LEU 87.A N CYS 58.A O no hydrogen 3.028 N/A ILE 88.A N ASP 117.A OD2 no hydrogen 2.795 N/A PHE 89.A N LEU 60.A O no hydrogen 2.888 N/A GLU 90.A N LEU 118.A O no hydrogen 2.958 N/A ASP 91.A N THR 62.A O no hydrogen 2.887 N/A ARG 92.A NH2 ARG 92.A O no hydrogen 2.876 N/A LYS 93.A N ASN 120.A OD1 no hydrogen 2.868 N/A LYS 93.A NZ ASP 91.A OD1 no hydrogen 2.701 N/A PHE 94.A N ASN 120.A O no hydrogen 3.083 N/A ILE 97.A N ASP 96.A OD1 no hydrogen 2.823 N/A THR 100.A N ILE 97.A O no hydrogen 3.058 N/A VAL 101.A N ILE 97.A O no hydrogen 3.101 N/A LYS 102.A N.A GLY 98.A O no hydrogen 3.196 N/A LYS 102.A N.B GLY 98.A O no hydrogen 3.241 N/A LYS 102.A NZ.A GLU 135.A OE2.B no hydrogen 2.624 N/A LYS 102.A NZ.B ASN 99.A O no hydrogen 2.772 N/A LYS 102.A NZ.B ASN 99.A OD1 no hydrogen 3.118 N/A GLN 104.A N THR 100.A O no hydrogen 3.065 N/A TYR 105.A N VAL 101.A O no hydrogen 2.880 N/A GLU 106.A N LYS 102.A O.A no hydrogen 3.169 N/A GLU 106.A N LYS 102.A O.B no hydrogen 3.201 N/A GLY 107.A N LYS 103.A O no hydrogen 2.846 N/A LYS 111.A N GLY 107.A O no hydrogen 3.206 N/A ALA 113.A N TYR 105.A O no hydrogen 2.921 N/A SER 114.A N LYS 111.A O no hydrogen 2.920 N/A SER 114.A OG LYS 111.A O no hydrogen 2.680 N/A TRP 115.A N ILE 112.A O no hydrogen 3.121 N/A TRP 115.A NE1 PHE 110.A O no hydrogen 2.789 N/A ALA 116.A N ILE 112.A O no hydrogen 2.959 N/A LEU 118.A N ILE 88.A O no hydrogen 3.128 N/A VAL 119.A N GLY 143.A O no hydrogen 3.260 N/A ASN 120.A ND2 ASP 91.A OD1 no hydrogen 2.810 N/A ALA 121.A N LEU 145.A O no hydrogen 2.968 N/A HIS 122.A N PHE 94.A O no hydrogen 2.821 N/A GLY 126.A N VAL 123.A O no hydrogen 2.913 N/A VAL 129.A N GLY 126.A O no hydrogen 3.119 N/A LYS 131.A N.A SER 127.A O no hydrogen 2.976 N/A LYS 131.A N.B SER 127.A O no hydrogen 3.007 N/A LYS 131.A NZ.A HIS 172.A NE2 no hydrogen 2.883 N/A LYS 131.A NZ.B SER 127.A OG no hydrogen 2.867 N/A GLY 132.A N GLY 128.A O no hydrogen 2.871 N/A LEU 133.A N VAL 129.A O no hydrogen 3.177 N/A GLN 134.A N VAL 130.A O no hydrogen 2.827 N/A GLU 135.A N.A LYS 131.A O.A no hydrogen 3.264 N/A GLU 135.A N.A GLY 132.A O no hydrogen 3.336 N/A GLU 135.A N.B LYS 131.A O.A no hydrogen 3.214 N/A GLU 135.A N.B LYS 131.A O.B no hydrogen 3.363 N/A VAL 136.A N LEU 133.A O no hydrogen 3.043 N/A GLY 137.A N LEU 133.A O no hydrogen 2.877 N/A LEU 138.A N GLN 134.A O no hydrogen 2.913 N/A LEU 140.A N VAL 136.A O no hydrogen 3.406 N/A HIS 141.A N LEU 138.A O no hydrogen 3.009 N/A ARG 142.A N GLY 137.A O no hydrogen 2.853 N/A ARG 142.A NE ALA 113.A O no hydrogen 2.929 N/A ARG 142.A NH1 ALA 113.A O no hydrogen 3.017 N/A GLY 143.A N ASP 117.A O no hydrogen 3.076 N/A CYS 144.A N PHE 175.A O no hydrogen 2.958 N/A CYS 144.A SG VAL 119.A O no hydrogen 3.882 N/A CYS 144.A SG LEU 145.A O no hydrogen 3.762 N/A LEU 145.A N VAL 119.A O no hydrogen 2.892 N/A LEU 146.A N GLY 178.A O no hydrogen 2.924 N/A ILE 147.A N ALA 121.A O no hydrogen 2.970 N/A ALA 148.A N ILE 180.A O no hydrogen 2.847 N/A GLU 149.A N ILE 180.A O no hydrogen 3.391 N/A SER 151.A OG GLN 209.A OE1 no hydrogen 2.671 N/A THR 153.A N GLY 208.A O no hydrogen 2.806 N/A THR 153.A OG1 GLY 208.A O no hydrogen 3.401 N/A SER 155.A N SER 152.A O no hydrogen 3.198 N/A ALA 157.A N SER 155.A OG no hydrogen 3.141 N/A TYR 161.A N THR 158.A O no hydrogen 3.022 N/A THR 162.A N THR 158.A O no hydrogen 3.476 N/A THR 162.A OG1 ALA 148.A O no hydrogen 2.837 N/A ARG 163.A N GLY 159.A O no hydrogen 3.016 N/A ARG 163.A NE ASP 160.A OD1 no hydrogen 3.242 N/A ARG 163.A NH1 ASP 160.A OD1 no hydrogen 2.655 N/A ALA 164.A N ASP 160.A O no hydrogen 2.937 N/A ALA 165.A N TYR 161.A O no hydrogen 3.046 N/A VAL 166.A N THR 162.A O no hydrogen 3.138 N/A ARG 167.A N ARG 163.A O no hydrogen 2.987 N/A MET 168.A N.A ALA 164.A O no hydrogen 2.955 N/A MET 168.A N.B ALA 164.A O no hydrogen 2.947 N/A ALA 169.A N ALA 165.A O no hydrogen 2.968 N/A GLU 170.A N.A VAL 166.A O no hydrogen 2.971 N/A GLU 170.A N.B VAL 166.A O no hydrogen 2.957 N/A GLU 171.A N ARG 167.A O no hydrogen 3.042 N/A HIS 172.A N ALA 169.A O no hydrogen 3.097 N/A HIS 172.A ND1 MET 168.A O.A no hydrogen 2.849 N/A HIS 172.A ND1 MET 168.A O.B no hydrogen 2.935 N/A GLU 174.A N.B GLU 174.A OE2.B no hydrogen 2.820 N/A PHE 175.A N HIS 172.A O no hydrogen 2.990 N/A VAL 176.A N HIS 172.A O no hydrogen 2.822 N/A VAL 177.A N CYS 144.A O no hydrogen 2.850 N/A PHE 179.A N LEU 192.A O.A no hydrogen 2.874 N/A PHE 179.A N LEU 192.A O.B no hydrogen 2.776 N/A ILE 180.A N LEU 146.A O no hydrogen 2.960 N/A SER 181.A N LEU 194.A O no hydrogen 2.996 N/A SER 181.A OG SER 183.A O.A no hydrogen 2.624 N/A SER 181.A OG SER 183.A O.B no hydrogen 2.749 N/A GLY 182.A N GLU 149.A OE1 no hydrogen 2.734 N/A SER 183.A N.A GLU 149.A OE1 no hydrogen 3.261 N/A SER 183.A OG.B GLU 149.A OE1 no hydrogen 3.363 N/A SER 183.A OG.B ARG 184.A O.B no hydrogen 3.233 N/A ARG 184.A N.A ARG 221.A O no hydrogen 2.828 N/A ARG 184.A N.B ARG 221.A O no hydrogen 2.867 N/A VAL 185.A N HIS 193.A NE2 no hydrogen 3.080 N/A SER 186.A N HIS 193.A NE2 no hydrogen 3.239 N/A SER 186.A OG GLU 170.A OE2.B no hydrogen 2.835 N/A LYS 188.A N SER 186.A OG no hydrogen 3.114 N/A GLU 190.A N.B GLU 190.A OE1.B no hydrogen 2.887 N/A PHE 191.A N LYS 188.A O no hydrogen 3.232 N/A LEU 192.A N.A VAL 177.A O no hydrogen 2.972 N/A LEU 192.A N.B VAL 177.A O no hydrogen 2.961 N/A HIS 193.A N ASP 224.A OD2 no hydrogen 2.841 N/A LEU 194.A N PHE 179.A O no hydrogen 2.898 N/A THR 195.A N ILE 225.A O no hydrogen 2.920 N/A THR 195.A OG1 SER 181.A O no hydrogen 2.694 N/A THR 195.A OG1 SER 223.A OG.A no hydrogen 2.703 N/A THR 195.A OG1 SER 223.A OG.B no hydrogen 2.631 N/A GLN 199.A N.A ASN 212.A O no hydrogen 3.118 N/A GLN 199.A N.B ASN 212.A O no hydrogen 3.130 N/A LEU 200.A N TYR 245.A OH no hydrogen 2.971 N/A ASP 205.A N GLN 209.A O no hydrogen 3.083 N/A LEU 207.A N ASP 205.A OD1 no hydrogen 2.877 N/A GLN 209.A N ASP 205.A OD1 no hydrogen 2.877 N/A GLN 210.A N GLN 209.A OE1 no hydrogen 3.036 N/A GLN 210.A NE2 SER 151.A O no hydrogen 2.946 N/A TYR 211.A N GLY 203.A O no hydrogen 3.064 N/A ASN 212.A N GLY 197.A O no hydrogen 2.940 N/A GLU 216.A N SER 213.A OG no hydrogen 3.176 N/A VAL 217.A N SER 213.A O no hydrogen 2.940 N/A ILE 218.A N PRO 214.A O no hydrogen 2.867 N/A GLY 219.A N GLN 215.A O no hydrogen 2.833 N/A LYS 220.A N GLN 215.A O no hydrogen 3.245 N/A LYS 220.A N GLU 216.A O no hydrogen 3.010 N/A ARG 221.A N GLU 216.A O no hydrogen 2.813 N/A ARG 221.A NE GLU 216.A OE2 no hydrogen 2.803 N/A SER 223.A N.A VAL 217.A O no hydrogen 3.116 N/A SER 223.A N.B VAL 217.A O no hydrogen 3.113 N/A SER 223.A OG.A HIS 193.A O no hydrogen 2.986 N/A SER 223.A OG.A THR 195.A OG1 no hydrogen 2.703 N/A SER 223.A OG.B THR 195.A OG1 no hydrogen 2.631 N/A ASP 224.A N HIS 193.A O no hydrogen 2.939 N/A ILE 225.A N HIS 193.A O no hydrogen 3.037 N/A ILE 226.A N ASN 33.A O no hydrogen 3.071 N/A ILE 227.A N THR 195.A O no hydrogen 2.818 N/A VAL 228.A N CYS 35.A O no hydrogen 3.022 N/A ARG 230.A NH1 ASP 205.A OD2 no hydrogen 2.953 N/A ARG 230.A NH2 ASP 205.A OD2 no hydrogen 2.938 N/A ILE 232.A N GLY 229.A O no hydrogen 2.854 N/A ILE 233.A N GLY 229.A O no hydrogen 2.856 N/A SER 234.A N ARG 230.A O no hydrogen 3.064 N/A ALA 235.A N ILE 232.A O no hydrogen 3.018 N/A ARG 238.A NH1 GLU 45.A OE2.A no hydrogen 3.063 N/A ARG 238.A NH1 ILE 233.A O no hydrogen 2.914 N/A ARG 238.A NH2 GLU 45.A OE2.A no hydrogen 2.812 N/A GLU 240.A N.A ASP 237.A OD1 no hydrogen 3.051 N/A GLU 240.A N.B ASP 237.A OD1 no hydrogen 3.031 N/A ALA 241.A N ASP 237.A O no hydrogen 3.076 N/A ALA 242.A N ARG 238.A O no hydrogen 2.973 N/A GLU 243.A N LEU 239.A O no hydrogen 2.937 N/A MET 244.A N.A GLU 240.A O.A no hydrogen 3.035 N/A MET 244.A N.A GLU 240.A O.B no hydrogen 2.918 N/A MET 244.A N.B GLU 240.A O.A no hydrogen 3.028 N/A MET 244.A N.B GLU 240.A O.B no hydrogen 2.910 N/A TYR 245.A N ALA 241.A O no hydrogen 3.073 N/A ARG 246.A N ALA 242.A O no hydrogen 2.792 N/A ARG 246.A NE GLU 243.A OE1 no hydrogen 3.519 N/A ARG 246.A NE GLU 243.A OE2 no hydrogen 2.935 N/A ARG 246.A NH1 GLU 243.A OE1 no hydrogen 3.026 N/A ARG 246.A NH2 GLU 31.A O no hydrogen 2.840 N/A LYS 247.A N GLU 243.A O no hydrogen 2.944 N/A ALA 248.A N MET 244.A O.A no hydrogen 3.101 N/A ALA 248.A N MET 244.A O.B no hydrogen 2.977 N/A ALA 249.A N TYR 245.A O no hydrogen 2.955 N/A TRP 250.A N ARG 246.A O no hydrogen 2.844 N/A GLU 251.A N LYS 247.A O no hydrogen 2.992 N/A ALA 252.A N ALA 248.A O no hydrogen 3.070 N/A TYR 253.A N ALA 249.A O no hydrogen 3.064 N/A LEU 254.A N TRP 250.A O no hydrogen 2.950 N/A SER 255.A N.A GLU 251.A O no hydrogen 2.902 N/A SER 255.A N.B GLU 251.A O no hydrogen 2.883 N/A SER 255.A OG.A GLU 251.A O no hydrogen 3.055 N/A ARG 256.A N ALA 252.A O no hydrogen 3.071 N/A ARG 256.A NH1 ILE 218.A O no hydrogen 2.837 N/A ARG 256.A NH1 SER 223.A O.A no hydrogen 2.823 N/A ARG 256.A NH1 SER 223.A O.B no hydrogen 2.635 N/A LEU 257.A N TYR 253.A O no hydrogen 2.837 N/A GLY 258.A N LEU 254.A O no hydrogen 3.057 N/A GLY 258.A N SER 255.A O.B no hydrogen 3.228 N/A