Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9aya_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N TYR 64.A O no hydrogen 2.947 N/A GLU 7.A N GLU 4.A O no hydrogen 3.062 N/A MET 9.A N LYS 20.A O no hydrogen 3.160 N/A SER 11.A N LYS 18.A O no hydrogen 3.043 N/A THR 12.A N LYS 18.A O no hydrogen 3.248 N/A ILE 14.A N VAL 16.A O no hydrogen 3.081 N/A TYR 17.A N VAL 27.A O no hydrogen 2.971 N/A LYS 18.A N THR 12.A O no hydrogen 2.684 N/A GLY 19.A N VAL 25.A O no hydrogen 2.679 N/A LYS 20.A N MET 9.A O no hydrogen 2.866 N/A TRP 21.A N GLY 23.A O no hydrogen 2.849 N/A TRP 21.A NE1 GLU 7.A OE1 no hydrogen 2.983 N/A VAL 25.A N GLY 19.A O no hydrogen 3.071 N/A ALA 26.A N THR 74.A O no hydrogen 2.872 N/A VAL 27.A N TYR 17.A O no hydrogen 2.998 N/A LYS 28.A N ILE 72.A O no hydrogen 2.889 N/A ILE 29.A N THR 15.A O no hydrogen 2.832 N/A LEU 30.A N LEU 70.A O no hydrogen 2.889 N/A VAL 32.A N LEU 30.A O no hydrogen 2.961 N/A THR 36.A N GLN 39.A OE1 no hydrogen 2.950 N/A GLN 39.A N THR 36.A OG1 no hydrogen 2.890 N/A PHE 40.A N THR 36.A O no hydrogen 2.985 N/A GLN 41.A N PRO 37.A O no hydrogen 3.309 N/A ALA 42.A N GLU 38.A O no hydrogen 3.022 N/A PHE 43.A N GLN 39.A O no hydrogen 3.075 N/A ARG 44.A N PHE 40.A O no hydrogen 2.943 N/A ASN 45.A N GLN 41.A O no hydrogen 2.949 N/A GLU 46.A N ALA 42.A O no hydrogen 3.096 N/A VAL 47.A N PHE 43.A O no hydrogen 3.023 N/A ALA 48.A N ARG 44.A O no hydrogen 2.902 N/A VAL 49.A N ASN 45.A O no hydrogen 2.892 N/A LEU 50.A N GLU 46.A O no hydrogen 2.929 N/A ARG 51.A N VAL 47.A O no hydrogen 2.859 N/A LYS 52.A N VAL 49.A O no hydrogen 2.949 N/A LYS 52.A NZ LYS 115.A O no hydrogen 3.542 N/A THR 53.A N LEU 50.A O no hydrogen 3.180 N/A THR 53.A OG1 LEU 50.A O no hydrogen 2.790 N/A ARG 54.A N TYR 111.A OH no hydrogen 2.764 N/A ASN 57.A N HIS 55.A ND1 no hydrogen 3.036 N/A ASN 57.A ND2 GLN 104.A OE1 no hydrogen 3.267 N/A ASN 57.A ND2 VAL 135.A O no hydrogen 3.158 N/A ILE 58.A N HIS 55.A O no hydrogen 3.168 N/A LEU 59.A N ILE 137.A O no hydrogen 2.914 N/A LEU 60.A N GLN 75.A OE1 no hydrogen 2.958 N/A MET 62.A N VAL 73.A O no hydrogen 2.905 N/A GLY 63.A N VAL 73.A O no hydrogen 3.202 N/A TYR 64.A N TRP 1.A O no hydrogen 3.351 N/A MET 65.A N ALA 71.A O no hydrogen 2.942 N/A THR 66.A OG1 GLU 2.A OE2 no hydrogen 2.443 N/A ALA 71.A N MET 65.A O no hydrogen 2.927 N/A ILE 72.A N LYS 28.A O no hydrogen 2.961 N/A VAL 73.A N GLY 63.A O no hydrogen 2.633 N/A THR 74.A N ALA 26.A O no hydrogen 2.911 N/A THR 74.A OG1 GLN 75.A O no hydrogen 3.455 N/A GLN 75.A N LEU 60.A O no hydrogen 3.051 N/A GLU 78.A N HIS 130.A ND1 no hydrogen 3.064 N/A LEU 82.A N ILE 127.A O no hydrogen 2.730 N/A TYR 83.A N SER 124.A O no hydrogen 3.190 N/A LYS 84.A N SER 81.A OG no hydrogen 3.260 N/A HIS 85.A N SER 81.A O no hydrogen 2.996 N/A HIS 85.A ND1 THR 91.A OG1 no hydrogen 2.926 N/A LEU 86.A N LEU 82.A O no hydrogen 2.891 N/A HIS 87.A N TYR 83.A O no hydrogen 2.898 N/A HIS 87.A NE2 GLU 193.A OE1 no hydrogen 2.513 N/A VAL 88.A N LYS 84.A O no hydrogen 3.139 N/A GLN 89.A N LYS 84.A O no hydrogen 2.764 N/A GLN 89.A NE2 SER 80.A OG no hydrogen 3.026 N/A THR 91.A N HIS 85.A O no hydrogen 2.766 N/A THR 91.A OG1 HIS 85.A ND1 no hydrogen 2.926 N/A LYS 92.A NZ GLU 90.A O no hydrogen 3.044 N/A GLN 94.A N GLN 97.A OE1 no hydrogen 2.665 N/A LEU 98.A N GLN 94.A O no hydrogen 2.849 N/A ILE 99.A N MET 95.A O no hydrogen 2.872 N/A ASP 100.A N PHE 96.A O no hydrogen 2.806 N/A ILE 101.A N GLN 97.A O no hydrogen 2.856 N/A ALA 102.A N LEU 98.A O no hydrogen 3.027 N/A ARG 103.A N ILE 99.A O no hydrogen 2.892 N/A ARG 103.A NH1 GLN 107.A OE1 no hydrogen 2.640 N/A GLN 104.A N ASP 100.A O no hydrogen 2.969 N/A GLN 104.A NE2 ASP 100.A OD2 no hydrogen 2.981 N/A GLN 104.A NE2 LEU 133.A O no hydrogen 2.877 N/A THR 105.A N ILE 101.A O no hydrogen 3.094 N/A THR 105.A OG1 ILE 101.A O no hydrogen 2.793 N/A ALA 106.A N ALA 102.A O no hydrogen 3.057 N/A GLN 107.A N ARG 103.A O no hydrogen 2.823 N/A GLY 108.A N GLN 104.A O no hydrogen 3.132 N/A MET 109.A N THR 105.A O no hydrogen 2.923 N/A ASP 110.A N ALA 106.A O no hydrogen 2.781 N/A TYR 111.A N GLN 107.A O no hydrogen 2.989 N/A TYR 111.A OH LYS 52.A O no hydrogen 3.266 N/A LEU 112.A N GLY 108.A O no hydrogen 2.921 N/A HIS 113.A N MET 109.A O no hydrogen 2.921 N/A HIS 113.A NE2 ASP 183.A OD2 no hydrogen 3.134 N/A ALA 114.A N ASP 110.A O no hydrogen 3.198 N/A LYS 115.A N TYR 111.A O no hydrogen 3.249 N/A LYS 115.A N LEU 112.A O no hydrogen 3.023 N/A LYS 115.A NZ LYS 52.A O no hydrogen 3.273 N/A ASN 116.A N HIS 113.A O no hydrogen 2.773 N/A ILE 117.A N LEU 112.A O no hydrogen 2.857 N/A ILE 118.A N THR 144.A O no hydrogen 2.895 N/A HIS 119.A N ASP 183.A OD2 no hydrogen 2.660 N/A HIS 119.A NE2 GLY 138.A O no hydrogen 2.947 N/A ARG 120.A N ASP 183.A OD1 no hydrogen 3.037 N/A ARG 120.A NE LEU 142.A O no hydrogen 2.742 N/A ASP 121.A N HIS 119.A ND1 no hydrogen 3.164 N/A LYS 123.A NZ SER 161.A OG no hydrogen 2.489 N/A SER 124.A OG GLU 193.A OE1 no hydrogen 3.160 N/A ASN 126.A N LYS 123.A O no hydrogen 3.077 N/A ASN 126.A ND2 ASP 121.A O no hydrogen 2.596 N/A ASN 126.A ND2 ASP 121.A OD2 no hydrogen 2.998 N/A ILE 127.A N SER 124.A O no hydrogen 3.359 N/A PHE 128.A N LYS 136.A O no hydrogen 2.902 N/A LEU 129.A N SER 80.A O no hydrogen 3.061 N/A HIS 130.A N THR 134.A O no hydrogen 2.712 N/A GLU 131.A N GLU 78.A O no hydrogen 3.060 N/A GLY 132.A N LEU 129.A O no hydrogen 3.390 N/A LEU 133.A N HIS 130.A O no hydrogen 3.020 N/A THR 134.A N HIS 130.A O no hydrogen 2.958 N/A VAL 135.A N GLN 104.A OE1 no hydrogen 2.791 N/A LYS 136.A N PHE 128.A O no hydrogen 2.792 N/A LYS 136.A NZ VAL 56.A O no hydrogen 2.728 N/A ILE 137.A N ASN 57.A O no hydrogen 2.833 N/A GLY 138.A N ASN 126.A O no hydrogen 2.881 N/A GLY 141.A N ASP 139.A OD1 no hydrogen 3.383 N/A ALA 143.A N PHE 140.A O no hydrogen 3.017 N/A THR 144.A N ILE 118.A O no hydrogen 3.008 N/A LYS 146.A N ASN 116.A O no hydrogen 2.796 N/A SER 147.A N SER 150.A OG no hydrogen 2.773 N/A SER 147.A OG VAL 145.A O no hydrogen 3.371 N/A SER 150.A OG SER 147.A O no hydrogen 2.910 N/A SER 152.A OG TRP 149.A O no hydrogen 3.230 N/A GLN 153.A N TRP 149.A O no hydrogen 3.161 N/A GLN 154.A NE2 VAL 155.A O no hydrogen 2.724 N/A VAL 155.A N ASN 175.A O no hydrogen 3.203 N/A TRP 164.A NE1 GLU 193.A OE2 no hydrogen 2.679 N/A MET 165.A N VAL 162.A O no hydrogen 3.198 N/A GLU 168.A N GLU 168.A OE1 no hydrogen 2.838 N/A VAL 169.A N ALA 166.A O no hydrogen 3.013 N/A ILE 170.A N ALA 166.A O no hydrogen 3.053 N/A ARG 171.A N PRO 167.A O no hydrogen 2.892 N/A ARG 171.A NH1 GLY 215.A O no hydrogen 2.818 N/A MET 172.A N GLU 168.A O no hydrogen 3.079 N/A ASN 176.A ND2 SER 150.A O no hydrogen 3.170 N/A PHE 178.A N ASN 176.A OD1 no hydrogen 3.294 N/A SER 179.A N SER 182.A OG no hydrogen 2.844 N/A SER 179.A OG GLN 181.A OE1 no hydrogen 3.550 N/A GLN 181.A N SER 179.A OG no hydrogen 3.220 N/A GLN 181.A N GLN 181.A OE1 no hydrogen 2.955 N/A SER 182.A N SER 179.A OG no hydrogen 3.399 N/A SER 182.A OG SER 179.A O no hydrogen 2.878 N/A ASP 183.A N SER 179.A O no hydrogen 3.353 N/A VAL 184.A N PHE 180.A O no hydrogen 2.947 N/A TYR 185.A N GLN 181.A O no hydrogen 2.953 N/A SER 186.A N SER 182.A O no hydrogen 3.095 N/A SER 186.A OG TRP 164.A O no hydrogen 2.440 N/A SER 186.A OG SER 182.A O no hydrogen 3.508 N/A TYR 187.A N ASP 183.A O no hydrogen 2.799 N/A TYR 187.A OH ALA 102.A O no hydrogen 2.686 N/A GLY 188.A N VAL 184.A O no hydrogen 2.695 N/A ILE 189.A N TYR 185.A O no hydrogen 2.971 N/A VAL 190.A N SER 186.A O no hydrogen 3.067 N/A LEU 191.A N TYR 187.A O no hydrogen 2.829 N/A TYR 192.A N GLY 188.A O no hydrogen 2.796 N/A TYR 192.A OH ASP 222.A O no hydrogen 2.891 N/A GLU 193.A N ILE 189.A O no hydrogen 2.925 N/A LEU 194.A N VAL 190.A O no hydrogen 2.911 N/A MET 195.A N LEU 191.A O no hydrogen 2.930 N/A THR 196.A OG1 TYR 192.A O no hydrogen 2.830 N/A GLY 197.A N GLU 193.A O no hydrogen 2.845 N/A GLU 198.A N THR 196.A OG1 no hydrogen 3.089 N/A ILE 204.A N TYR 201.A O no hydrogen 3.089 N/A ARG 207.A NE ASP 208.A OD1 no hydrogen 3.114 N/A ARG 207.A NH2 ASP 208.A OD1 no hydrogen 2.808 N/A GLN 209.A N ASN 206.A OD1 no hydrogen 3.351 N/A ILE 210.A N ASN 206.A O no hydrogen 3.217 N/A ILE 211.A N ARG 207.A O no hydrogen 3.185 N/A PHE 212.A N ASP 208.A O no hydrogen 2.882 N/A MET 213.A N GLN 209.A O no hydrogen 2.794 N/A VAL 214.A N ILE 210.A O no hydrogen 2.898 N/A GLY 215.A N ILE 211.A O no hydrogen 3.030 N/A ARG 216.A N PHE 212.A O no hydrogen 2.996 N/A ARG 216.A NE TYR 218.A OH no hydrogen 2.705 N/A ARG 216.A NH2 TYR 218.A OH no hydrogen 2.689 N/A GLY 217.A N VAL 214.A O no hydrogen 3.061 N/A ALA 219.A N MET 213.A O no hydrogen 3.069 N/A SER 224.A N ASP 222.A OD1 no hydrogen 3.266 N/A SER 224.A OG ASP 222.A OD1 no hydrogen 2.614 N/A SER 224.A OG ASP 222.A OD2 no hydrogen 3.255 N/A LYS 225.A N ASP 222.A O no hydrogen 3.207 N/A LYS 225.A NZ GLU 198.A OE1 no hydrogen 3.146 N/A LYS 225.A NZ SER 202.A OG no hydrogen 2.969 N/A LEU 226.A N LEU 223.A O no hydrogen 3.253 N/A TYR 227.A N MET 195.A O no hydrogen 2.921 N/A CYS 230.A SG PRO 231.A O no hydrogen 4.008 N/A LYS 235.A N PRO 231.A O no hydrogen 2.883 N/A ARG 236.A N LYS 232.A O no hydrogen 2.788 N/A LEU 237.A N ALA 233.A O no hydrogen 3.080 N/A VAL 238.A N MET 234.A O no hydrogen 2.997 N/A ALA 239.A N LYS 235.A O no hydrogen 3.069 N/A ASP 240.A N ARG 236.A O no hydrogen 2.842 N/A CYS 241.A N LEU 237.A O no hydrogen 3.016 N/A CYS 241.A SG LEU 237.A O no hydrogen 3.292 N/A LYS 243.A N ASP 240.A O no hydrogen 3.363 N/A LYS 243.A NZ GLU 248.A OE1 no hydrogen 3.534 N/A LYS 244.A NZ GLY 217.A O no hydrogen 2.633 N/A LYS 246.A NZ GLU 168.A OE2 no hydrogen 3.558 N/A LYS 246.A NZ SER 179.A OG no hydrogen 2.720 N/A GLU 247.A N GLU 247.A OE1 no hydrogen 2.698 N/A GLU 248.A N VAL 245.A O no hydrogen 3.224 N/A ARG 249.A N LYS 246.A O no hydrogen 3.124 N/A ARG 249.A NE GLN 181.A O no hydrogen 2.901 N/A ARG 249.A NH1 LYS 243.A O no hydrogen 2.852 N/A ARG 249.A NH2 GLU 168.A OE1 no hydrogen 3.253 N/A ARG 249.A NH2 GLU 168.A OE2 no hydrogen 2.480 N/A ARG 249.A NH2 GLN 181.A O no hydrogen 3.334 N/A ILE 255.A N LEU 251.A O no hydrogen 3.025 N/A LEU 256.A N PHE 252.A O no hydrogen 2.800 N/A SER 257.A N PRO 253.A O no hydrogen 3.095 N/A SER 257.A OG PRO 253.A O no hydrogen 3.184 N/A SER 258.A N GLN 254.A O no hydrogen 2.996 N/A SER 258.A OG GLN 254.A O no hydrogen 3.268 N/A ILE 259.A N ILE 255.A O no hydrogen 3.167 N/A GLU 260.A N LEU 256.A O no hydrogen 2.916 N/A LEU 261.A N SER 257.A O no hydrogen 3.070 N/A LEU 262.A N SER 258.A O no hydrogen 3.122 N/A GLN 263.A N ILE 259.A O no hydrogen 2.917 N/A HIS 264.A N GLU 260.A O no hydrogen 3.082 N/A SER 265.A OG LEU 261.A O no hydrogen 3.566 N/A SER 265.A OG LEU 262.A O no hydrogen 3.569 N/A LEU 266.A N GLN 263.A O no hydrogen 3.380 N/A