Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1y1f_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 ASP 183.A OD2 no hydrogen 3.172 N/A SER 4.A OG.A GLU 50.A OE1 no hydrogen 2.591 N/A SER 4.A OG.B SER 4.A O no hydrogen 2.538 N/A LYS 5.A N ALA 2.A O no hydrogen 2.993 N/A LYS 5.A NZ TYR 44.A OH no hydrogen 3.403 N/A VAL 7.A N MET 41.A O no hydrogen 2.745 N/A ILE 9.A N PHE 39.A O no hydrogen 2.737 N/A GLY 12.A N ILE 36.A O no hydrogen 2.958 N/A PHE 14.A N VAL 34.A O no hydrogen 2.817 N/A MET 16.A N ARG 32.A O no hydrogen 2.824 N/A GLY 17.A N GLU 133.A OE2 no hydrogen 2.856 N/A THR 18.A N GLU 28.A O no hydrogen 2.794 N/A ASP 20.A N THR 18.A OG1 no hydrogen 2.865 N/A GLN 22.A N GLU 28.A OE1 no hydrogen 2.848 N/A GLN 22.A NE2 ASP 20.A O no hydrogen 3.035 N/A ILE 23.A N GLU 28.A OE1 no hydrogen 3.270 N/A ASP 26.A N ILE 23.A O no hydrogen 3.087 N/A GLY 27.A N LYS 24.A O no hydrogen 3.121 N/A ALA 31.A N ASP 19.A OD1 no hydrogen 3.078 N/A ARG 32.A N MET 16.A O no hydrogen 2.862 N/A ARG 32.A NH1 PRO 30.A O no hydrogen 2.975 N/A ARG 33.A NH1 THR 15.A OG1 no hydrogen 2.823 N/A VAL 34.A N PHE 14.A O no hydrogen 2.748 N/A THR 35.A N THR 216.A O no hydrogen 2.866 N/A ILE 36.A N GLY 12.A O no hydrogen 2.827 N/A ASP 37.A N ASN 218.A OD1 no hydrogen 2.994 N/A PHE 39.A N ILE 9.A O no hydrogen 3.161 N/A TYR 40.A N ALA 267.A O no hydrogen 2.798 N/A MET 41.A N VAL 7.A O no hydrogen 2.947 N/A ASP 42.A N CYS 265.A O no hydrogen 2.931 N/A ALA 43.A N LYS 5.A O no hydrogen 3.057 N/A VAL 46.A N PHE 263.A O no hydrogen 2.894 N/A ASN 48.A N HIS 105.A O no hydrogen 2.846 N/A ASN 48.A ND2 ARG 102.A O no hydrogen 2.906 N/A THR 49.A N PRO 103.A O no hydrogen 2.950 N/A THR 49.A OG1 PRO 103.A O no hydrogen 3.106 N/A GLU 50.A N SER 47.A OG no hydrogen 3.164 N/A PHE 51.A N SER 47.A O no hydrogen 2.925 N/A GLU 52.A N ASN 48.A O no hydrogen 2.821 N/A LYS 53.A N THR 49.A O no hydrogen 3.040 N/A LYS 53.A NZ GLU 50.A OE2 no hydrogen 2.708 N/A PHE 54.A N GLU 50.A O no hydrogen 3.350 N/A VAL 55.A N PHE 51.A O no hydrogen 2.887 N/A ASN 56.A N GLU 52.A O no hydrogen 2.841 N/A SER 57.A N LYS 53.A O no hydrogen 3.008 N/A THR 58.A N PHE 54.A O no hydrogen 2.930 N/A THR 58.A OG1 PHE 54.A O no hydrogen 2.766 N/A GLY 59.A N VAL 55.A O no hydrogen 2.695 N/A TYR 60.A N THR 58.A OG1 no hydrogen 3.087 N/A TYR 60.A OH ASP 114.A OD1 no hydrogen 2.500 N/A THR 62.A N GLU 65.A OE1 no hydrogen 3.002 N/A THR 62.A OG1 GLU 65.A OE1 no hydrogen 2.584 N/A GLU 63.A N ASP 114.A OD1 no hydrogen 3.086 N/A LYS 66.A N THR 62.A O no hydrogen 3.132 N/A PHE 67.A N GLU 63.A O no hydrogen 2.749 N/A GLY 68.A N ALA 64.A O no hydrogen 2.866 N/A SER 70.A N VAL 84.A O no hydrogen 3.233 N/A SER 70.A OG HIS 109.A ND1 no hydrogen 2.652 N/A SER 70.A OG SER 257.A OG no hydrogen 2.748 N/A VAL 72.A N LEU 82.A O no hydrogen 2.839 N/A PHE 73.A N SER 259.A OG no hydrogen 3.308 N/A GLU 74.A N TRP 80.A O no hydrogen 2.736 N/A MET 76.A N PHE 73.A O no hydrogen 2.928 N/A LEU 77.A N GLU 74.A O no hydrogen 3.033 N/A TRP 81.A N ALA 78.A O no hydrogen 2.976 N/A LEU 82.A N VAL 72.A O no hydrogen 2.935 N/A VAL 84.A N SER 70.A O no hydrogen 2.907 N/A GLY 86.A N GLY 68.A O no hydrogen 2.870 N/A ALA 87.A N VAL 84.A O no hydrogen 3.196 N/A ASN 88.A N HIS 91.A O no hydrogen 3.171 N/A ARG 90.A N ASN 88.A OD1 no hydrogen 3.048 N/A ARG 90.A NH1 GLU 52.A OE2 no hydrogen 3.139 N/A HIS 91.A N ASN 88.A O no hydrogen 2.945 N/A HIS 91.A ND1 SER 97.A O no hydrogen 2.752 N/A GLU 93.A N SER 97.A OG no hydrogen 2.895 N/A GLY 94.A N HIS 91.A O no hydrogen 2.969 N/A SER 97.A N GLY 94.A O no hydrogen 2.914 N/A SER 97.A OG GLY 94.A O no hydrogen 2.608 N/A LEU 100.A N THR 98.A OG1 no hydrogen 3.254 N/A ARG 102.A N ILE 99.A O no hydrogen 3.059 N/A ARG 102.A NE THR 98.A O no hydrogen 2.971 N/A ARG 102.A NH1 GLU 93.A OE2 no hydrogen 2.959 N/A ARG 102.A NH2 GLU 93.A OE1 no hydrogen 2.899 N/A ARG 102.A NH2 GLU 93.A OE2 no hydrogen 3.423 N/A ARG 102.A NH2 THR 98.A O no hydrogen 2.945 N/A HIS 105.A N ARG 102.A O no hydrogen 3.282 N/A HIS 105.A ND1 THR 179.A OG1 no hydrogen 2.721 N/A VAL 107.A N VAL 46.A O no hydrogen 2.879 N/A HIS 109.A N ALA 258.A O no hydrogen 3.124 N/A HIS 109.A ND1 SER 70.A OG no hydrogen 2.652 N/A HIS 109.A NE2 PRO 92.A O no hydrogen 2.691 N/A SER 111.A N ASP 114.A OD2 no hydrogen 2.796 N/A SER 111.A OG GLU 63.A OE2 no hydrogen 2.516 N/A TRP 112.A N PRO 254.A O no hydrogen 2.964 N/A TRP 112.A NE1 THR 203.A O no hydrogen 2.845 N/A ASN 113.A ND2 GLU 63.A OE2 no hydrogen 2.973 N/A ASP 114.A N SER 111.A OG no hydrogen 3.109 N/A ALA 115.A N SER 111.A O no hydrogen 2.898 N/A VAL 116.A N TRP 112.A O no hydrogen 2.909 N/A ALA 117.A N ASN 113.A O no hydrogen 2.953 N/A TYR 118.A N ASP 114.A O no hydrogen 3.008 N/A CYS 119.A N ALA 115.A O no hydrogen 2.953 N/A CYS 119.A SG ALA 115.A O no hydrogen 3.476 N/A CYS 119.A SG ARG 125.A O no hydrogen 3.753 N/A THR 120.A N VAL 116.A O no hydrogen 2.921 N/A THR 120.A OG1 VAL 116.A O no hydrogen 2.760 N/A THR 120.A OG1 ALA 117.A O no hydrogen 3.089 N/A TRP 121.A N ALA 117.A O no hydrogen 2.890 N/A TRP 121.A NE1 SER 57.A OG no hydrogen 3.147 N/A ALA 122.A N TYR 118.A O no hydrogen 2.904 N/A GLY 123.A N THR 120.A O no hydrogen 2.989 N/A LYS 124.A N CYS 119.A O no hydrogen 2.784 N/A LYS 124.A NZ SER 4.A O no hydrogen 3.167 N/A LYS 124.A NZ SER 4.A OG.B no hydrogen 3.125 N/A LYS 124.A NZ ASP 42.A OD1 no hydrogen 2.888 N/A ARG 125.A N ALA 266.A O no hydrogen 2.886 N/A ARG 125.A NE ASP 268.A OD1 no hydrogen 3.235 N/A ARG 125.A NH1 LEU 126.A O no hydrogen 3.200 N/A ARG 125.A NH1 GLU 131.A OE1 no hydrogen 2.791 N/A ARG 125.A NH2 GLU 131.A OE2 no hydrogen 3.013 N/A ARG 125.A NH2 ASP 268.A OD1 no hydrogen 2.832 N/A THR 128.A N GLU 131.A OE1 no hydrogen 3.021 N/A GLU 129.A N ASP 205.A OD1 no hydrogen 2.871 N/A GLU 131.A N THR 128.A OG1 no hydrogen 2.864 N/A TRP 132.A N THR 128.A O no hydrogen 2.852 N/A TRP 132.A NE1 GLU 201.A OE1 no hydrogen 2.864 N/A GLU 133.A N GLU 129.A O no hydrogen 2.765 N/A TYR 134.A N ALA 130.A O no hydrogen 2.956 N/A TYR 134.A OH PRO 10.A O no hydrogen 2.657 N/A SER 135.A N GLU 131.A O no hydrogen 2.989 N/A SER 135.A OG GLU 131.A O no hydrogen 2.809 N/A CYS 136.A N TRP 132.A O no hydrogen 2.831 N/A ARG 137.A N GLU 133.A O no hydrogen 2.956 N/A ARG 137.A NE GLU 133.A OE2 no hydrogen 3.174 N/A ARG 137.A NH2 GLU 133.A OE2 no hydrogen 3.033 N/A GLY 138.A N SER 135.A O no hydrogen 3.097 N/A LEU 140.A N ARG 137.A O no hydrogen 3.164 N/A ARG 143.A NH1 HIS 141.A O no hydrogen 2.869 N/A LEU 144.A N ASN 149.A OD1 no hydrogen 2.818 N/A PHE 145.A N GLY 148.A O no hydrogen 2.886 N/A TRP 147.A NE1 LYS 150.A O no hydrogen 2.696 N/A GLY 148.A N PHE 145.A O no hydrogen 3.131 N/A LYS 154.A NZ.A GLN 156.A OE1 no hydrogen 3.370 N/A LYS 154.A NZ.A TYR 158.A OH no hydrogen 2.778 N/A GLY 155.A N GLN 152.A O no hydrogen 3.047 N/A GLN 156.A N PRO 153.A O no hydrogen 2.977 N/A HIS 157.A NE2 GLU 173.A OE2 no hydrogen 2.746 N/A ASN 160.A ND2 GLY 178.A O no hydrogen 2.930 N/A ASN 160.A ND2 ASN 198.A OD1 no hydrogen 2.870 N/A ILE 161.A N ASP 174.A OD2 no hydrogen 3.156 N/A GLN 163.A NE2 ILE 161.A O no hydrogen 3.680 N/A GLN 163.A NE2 ASP 174.A OD2 no hydrogen 3.019 N/A GLU 165.A N THR 169.A OG1.B no hydrogen 3.089 N/A THR 169.A N GLU 165.A O no hydrogen 2.868 N/A THR 169.A OG1.B GLU 165.A O no hydrogen 3.441 N/A THR 171.A N GLN 163.A O no hydrogen 2.838 N/A THR 171.A OG1 GLN 163.A O no hydrogen 3.453 N/A GLY 172.A N ASN 170.A OD1 no hydrogen 3.126 N/A GLU 173.A N THR 171.A OG1 no hydrogen 3.377 N/A ASP 174.A N GLN 163.A OE1 no hydrogen 3.008 N/A GLY 175.A N GLY 172.A O no hydrogen 3.036 N/A PHE 176.A N ASP 174.A OD1 no hydrogen 3.021 N/A GLN 177.A NE2 ASN 170.A O no hydrogen 2.965 N/A THR 179.A OG1 HIS 105.A ND1 no hydrogen 2.721 N/A ALA 180.A N ASN 198.A OD1 no hydrogen 2.691 N/A VAL 182.A N ASP 104.A O no hydrogen 2.812 N/A ALA 184.A N PRO 181.A O no hydrogen 3.005 N/A ASN 188.A N LEU 192.A O no hydrogen 2.889 N/A ASN 188.A ND2 SER 135.A O no hydrogen 2.872 N/A ASN 188.A ND2 CYS 136.A O no hydrogen 3.066 N/A TYR 190.A N ASN 188.A OD1 no hydrogen 3.038 N/A GLY 191.A N ASN 188.A O no hydrogen 2.983 N/A LEU 192.A N ASN 188.A OD1 no hydrogen 3.088 N/A TYR 193.A N ALA 43.A O no hydrogen 2.881 N/A ASN 194.A ND2 VAL 182.A O no hydrogen 2.909 N/A ASN 194.A ND2 ALA 184.A O no hydrogen 2.968 N/A GLY 197.A N GLY 232.A O no hydrogen 2.860 N/A ASN 198.A N ASN 160.A O no hydrogen 2.859 N/A ASN 198.A ND2 GLU 45.A OE1 no hydrogen 2.815 N/A ASN 198.A ND2 ALA 180.A O no hydrogen 3.064 N/A ALA 199.A N GLU 45.A OE2 no hydrogen 2.947 N/A TRP 200.A N ASN 260.A O no hydrogen 2.785 N/A GLU 201.A N LYS 231.A O no hydrogen 2.966 N/A TRP 202.A N GLY 262.A O no hydrogen 3.127 N/A TRP 202.A NE1 VAL 110.A O no hydrogen 3.043 N/A THR 203.A N VAL 229.A O no hydrogen 2.878 N/A THR 203.A OG1 VAL 229.A O no hydrogen 2.911 N/A SER 204.A N PRO 127.A O no hydrogen 2.809 N/A SER 204.A OG PRO 127.A O no hydrogen 3.300 N/A TRP 207.A N ASP 227.A O no hydrogen 2.751 N/A HIS 210.A N THR 208.A OG1 no hydrogen 3.071 N/A HIS 211.A NE2 GLY 27.A O no hydrogen 2.753 N/A SER 212.A OG.A GLU 214.A OE1 no hydrogen 2.737 N/A SER 212.A OG.B GLU 214.A OE1 no hydrogen 2.590 N/A GLU 214.A N SER 212.A OG.B no hydrogen 3.170 N/A THR 216.A N ARG 33.A O no hydrogen 3.360 N/A ASN 218.A N THR 35.A O no hydrogen 2.803 N/A ASN 218.A ND2 ASP 37.A OD2 no hydrogen 2.834 N/A LYS 226.A NZ ASP 227.A OD2 no hydrogen 3.449 N/A ARG 228.A N ASN 252.A O no hydrogen 2.844 N/A VAL 229.A N ASP 205.A O no hydrogen 2.924 N/A LYS 230.A N SER 250.A O no hydrogen 2.899 N/A LYS 230.A NZ ASN 252.A OD1 no hydrogen 2.702 N/A LYS 231.A N GLU 201.A O no hydrogen 2.913 N/A LYS 231.A NZ GLU 129.A OE2 no hydrogen 2.841 N/A LYS 231.A NZ GLU 133.A OE1 no hydrogen 2.746 N/A LYS 231.A NZ CYS 246.A O no hydrogen 3.148 N/A LYS 231.A NZ ALA 248.A O no hydrogen 2.883 N/A TYR 235.A N ASN 198.A O no hydrogen 2.778 N/A TYR 235.A OH SER 259.A O no hydrogen 3.069 N/A MET 236.A N SER 234.A OG no hydrogen 3.056 N/A HIS 237.A ND1 SER 239.A OG no hydrogen 3.065 N/A ARG 238.A NH1 ARG 238.A O no hydrogen 3.313 N/A SER 239.A N HIS 237.A ND1 no hydrogen 2.949 N/A SER 239.A OG HIS 237.A ND1 no hydrogen 3.065 N/A TYR 240.A N HIS 237.A O no hydrogen 3.367 N/A TYR 240.A OH MET 236.A O no hydrogen 2.552 N/A CYS 241.A N HIS 237.A O no hydrogen 2.899 N/A TYR 242.A N HIS 237.A O no hydrogen 3.267 N/A ARG 243.A NE.A ASP 26.A OD2 no hydrogen 2.913 N/A ARG 243.A NH2.A ASP 26.A OD2 no hydrogen 3.177 N/A ARG 245.A NE TYR 242.A O no hydrogen 3.035 N/A ARG 245.A NH1 GLU 28.A OE1 no hydrogen 2.914 N/A ARG 245.A NH1 GLU 28.A OE2 no hydrogen 3.304 N/A ARG 245.A NH2 GLU 28.A OE2 no hydrogen 2.851 N/A ARG 245.A NH2 TYR 242.A O no hydrogen 2.799 N/A CYS 246.A N LEU 144.A O no hydrogen 3.187 N/A ALA 248.A N ARG 245.A O no hydrogen 3.094 N/A ARG 249.A NE GLU 129.A OE1 no hydrogen 3.394 N/A ARG 249.A NE GLU 129.A OE2 no hydrogen 2.797 N/A ARG 249.A NH1 ASP 26.A O no hydrogen 2.964 N/A ARG 249.A NH1 THR 208.A O no hydrogen 2.816 N/A ARG 249.A NH2 GLU 129.A OE1 no hydrogen 2.893 N/A ARG 249.A NH2 THR 208.A O no hydrogen 3.194 N/A SER 250.A N LYS 230.A O no hydrogen 3.036 N/A SER 250.A OG.A GLN 251.A OE1 no hydrogen 3.304 N/A ASN 252.A N ARG 228.A O no hydrogen 3.088 N/A THR 253.A OG1 ASP 255.A OD1 no hydrogen 2.832 N/A THR 253.A OG1 SER 256.A OG no hydrogen 2.719 N/A SER 256.A N THR 253.A O no hydrogen 2.865 N/A SER 256.A OG THR 253.A O no hydrogen 3.040 N/A SER 256.A OG THR 253.A OG1 no hydrogen 2.719 N/A SER 257.A OG SER 70.A OG no hydrogen 2.748 N/A SER 259.A N PHE 71.A O no hydrogen 2.891 N/A ASN 260.A ND2 SER 234.A OG no hydrogen 3.324 N/A LEU 261.A N ALA 258.A O no hydrogen 3.358 N/A GLY 262.A N TRP 200.A O no hydrogen 2.736 N/A ARG 264.A NE GLU 201.A OE1 no hydrogen 2.815 N/A ARG 264.A NH1 ASP 42.A O no hydrogen 3.020 N/A ARG 264.A NH1 ALA 43.A O no hydrogen 2.973 N/A ARG 264.A NH1 TYR 193.A O no hydrogen 3.464 N/A ARG 264.A NH2 TYR 193.A O no hydrogen 2.898 N/A ARG 264.A NH2 GLU 201.A OE1 no hydrogen 3.399 N/A ARG 264.A NH2 GLU 201.A OE2 no hydrogen 2.901 N/A CYS 265.A N ASP 42.A OD2 no hydrogen 2.946 N/A ALA 266.A N ARG 125.A O no hydrogen 2.653 N/A ALA 267.A N TYR 40.A O no hydrogen 2.829 N/A