Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ayr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N LEU 1.A O no hydrogen 3.291 N/A SER 4.A OG LEU 1.A O no hydrogen 2.681 N/A LEU 5.A N ALA 2.A O no hydrogen 3.272 N/A THR 6.A N GLN 9.A OE1 no hydrogen 2.803 N/A GLN 9.A N THR 6.A OG1 no hydrogen 3.235 N/A MET 10.A N THR 6.A O no hydrogen 2.790 N/A VAL 11.A N ALA 7.A O no hydrogen 2.983 N/A SER 12.A N ASP 8.A O no hydrogen 3.049 N/A SER 12.A OG ASP 8.A O no hydrogen 3.155 N/A ALA 13.A N GLN 9.A O no hydrogen 2.874 N/A LEU 14.A N MET 10.A O no hydrogen 2.891 N/A LEU 15.A N VAL 11.A O no hydrogen 2.806 N/A ASP 16.A N SER 12.A O no hydrogen 2.957 N/A ALA 17.A N ALA 13.A O no hydrogen 3.149 N/A ALA 17.A N LEU 14.A O no hydrogen 3.112 N/A GLU 18.A N LEU 15.A O no hydrogen 3.303 N/A SER 24.A N ASN 102.A OD1 no hydrogen 2.989 N/A TYR 26.A OH ASN 102.A O no hydrogen 2.570 N/A THR 29.A OG1 ASP 27.A OD1 no hydrogen 3.297 N/A THR 29.A OG1 ASP 27.A OD2 no hydrogen 2.495 N/A ARG 30.A N ASP 27.A O no hydrogen 3.303 N/A GLU 34.A N PRO 31.A O no hydrogen 3.293 N/A ALA 35.A N PHE 32.A O no hydrogen 2.713 N/A GLY 39.A N SER 36.A OG no hydrogen 3.131 N/A LEU 40.A N SER 36.A O no hydrogen 2.808 N/A LEU 41.A N MET 37.A O no hydrogen 3.072 N/A THR 42.A N MET 38.A O no hydrogen 2.914 N/A THR 42.A OG1 MET 38.A O no hydrogen 2.732 N/A ASN 43.A N GLY 39.A O no hydrogen 3.111 N/A LEU 44.A N LEU 40.A O no hydrogen 3.079 N/A ALA 45.A N LEU 41.A O no hydrogen 2.879 N/A ASP 46.A N THR 42.A O no hydrogen 2.929 N/A ARG 47.A N ASN 43.A O no hydrogen 3.165 N/A ARG 47.A NE ASN 43.A OD1 no hydrogen 2.748 N/A ARG 47.A NH1 TYR 23.A O no hydrogen 2.912 N/A ARG 47.A NH2 TYR 23.A O no hydrogen 2.812 N/A ARG 47.A NH2 ASN 43.A OD1 no hydrogen 2.821 N/A GLU 48.A N LEU 44.A O no hydrogen 2.913 N/A LEU 49.A N ALA 45.A O no hydrogen 3.018 N/A MET 52.A N GLU 48.A O no hydrogen 2.844 N/A ILE 53.A N LEU 49.A O no hydrogen 3.143 N/A TRP 55.A N HIS 51.A O no hydrogen 3.006 N/A ALA 56.A N MET 52.A O no hydrogen 2.757 N/A LYS 57.A N ILE 53.A O no hydrogen 3.045 N/A LYS 57.A NZ GLN 70.A OE1 no hydrogen 2.751 N/A ARG 58.A N TRP 55.A O no hydrogen 2.798 N/A VAL 59.A N ALA 56.A O no hydrogen 3.002 N/A PHE 62.A N VAL 59.A O no hydrogen 2.969 N/A ASP 64.A N GLY 61.A O no hydrogen 3.231 N/A LEU 65.A N PHE 62.A O no hydrogen 3.129 N/A THR 66.A N GLU 166.A OE1 no hydrogen 2.824 N/A THR 66.A OG1 GLU 166.A OE1 no hydrogen 3.176 N/A ASP 69.A N THR 66.A OG1 no hydrogen 3.079 N/A GLN 70.A N THR 66.A O no hydrogen 2.888 N/A GLN 70.A NE2 LEU 65.A O no hydrogen 2.976 N/A VAL 71.A N LEU 67.A O no hydrogen 2.961 N/A HIS 72.A N HIS 68.A O no hydrogen 3.034 N/A LEU 73.A N ASP 69.A O no hydrogen 2.955 N/A LEU 74.A N GLN 70.A O no hydrogen 3.103 N/A GLU 75.A N VAL 71.A O no hydrogen 2.801 N/A SER 76.A N HIS 72.A O no hydrogen 3.139 N/A SER 76.A OG LEU 73.A O no hydrogen 3.531 N/A ALA 77.A N LEU 73.A O no hydrogen 3.067 N/A ALA 77.A N LEU 74.A O no hydrogen 3.187 N/A TRP 78.A N LEU 74.A O no hydrogen 2.893 N/A ILE 81.A N ALA 77.A O no hydrogen 2.968 N/A LEU 82.A N TRP 78.A O no hydrogen 3.032 N/A MET 83.A N LEU 79.A O no hydrogen 2.922 N/A ILE 84.A N GLU 80.A O no hydrogen 2.838 N/A GLY 85.A N ILE 81.A O no hydrogen 3.099 N/A LEU 86.A N LEU 82.A O no hydrogen 3.009 N/A VAL 87.A N MET 83.A O no hydrogen 2.930 N/A TRP 88.A N ILE 84.A O no hydrogen 2.938 N/A ARG 89.A N GLY 85.A O no hydrogen 3.092 N/A ARG 89.A NE LEU 98.A O no hydrogen 2.833 N/A ARG 89.A NH2 PHE 99.A O no hydrogen 2.959 N/A SER 90.A N LEU 86.A O no hydrogen 2.919 N/A SER 90.A N VAL 87.A O no hydrogen 3.236 N/A SER 90.A OG LEU 86.A O no hydrogen 2.836 N/A MET 91.A N TRP 88.A O no hydrogen 3.308 N/A HIS 93.A N SER 90.A O no hydrogen 2.885 N/A LYS 96.A N HIS 93.A O no hydrogen 2.850 N/A LEU 97.A N LEU 105.A O no hydrogen 2.739 N/A LEU 98.A N SER 90.A OG no hydrogen 2.648 N/A ALA 100.A N LEU 103.A O no hydrogen 3.307 N/A ASN 102.A ND2 SER 24.A O no hydrogen 3.278 N/A LEU 103.A N ALA 100.A O no hydrogen 2.785 N/A LEU 105.A N LEU 97.A O no hydrogen 3.051 N/A ASP 106.A N GLN 109.A OE1 no hydrogen 3.059 N/A GLN 109.A N ASP 106.A O no hydrogen 3.016 N/A GLN 109.A N ASP 106.A OD1 no hydrogen 3.183 N/A GLY 110.A N ARG 107.A O no hydrogen 3.155 N/A LYS 111.A N ASN 108.A O no hydrogen 3.491 N/A LYS 111.A NZ ASN 108.A OD1 no hydrogen 3.280 N/A VAL 113.A N GLY 110.A O no hydrogen 3.383 N/A MET 116.A N VAL 113.A O no hydrogen 3.298 N/A ILE 119.A N GLY 115.A O no hydrogen 3.325 N/A PHE 120.A N MET 116.A O no hydrogen 2.808 N/A ASP 121.A N VAL 117.A O no hydrogen 2.966 N/A MET 122.A N GLU 118.A O no hydrogen 3.134 N/A LEU 123.A N ILE 119.A O no hydrogen 2.868 N/A LEU 124.A N PHE 120.A O no hydrogen 2.815 N/A ALA 125.A N ASP 121.A O no hydrogen 2.961 N/A THR 126.A N MET 122.A O no hydrogen 3.031 N/A THR 126.A OG1 MET 122.A O no hydrogen 2.867 N/A THR 126.A OG1 HIS 208.A ND1 no hydrogen 2.983 N/A SER 127.A N LEU 123.A O no hydrogen 2.993 N/A SER 127.A OG VAL 87.A O no hydrogen 3.242 N/A SER 128.A N LEU 124.A O no hydrogen 2.932 N/A SER 128.A OG LEU 124.A O no hydrogen 3.053 N/A ARG 129.A N ALA 125.A O no hydrogen 3.002 N/A PHE 130.A N THR 126.A O no hydrogen 2.970 N/A ARG 131.A N SER 127.A O no hydrogen 2.951 N/A ARG 131.A NE MET 91.A O no hydrogen 2.744 N/A MET 132.A N SER 128.A O no hydrogen 2.865 N/A MET 133.A N ARG 129.A O no hydrogen 2.867 N/A ASN 134.A N ARG 131.A O no hydrogen 3.039 N/A LEU 135.A N PHE 130.A O no hydrogen 3.020 N/A GLN 136.A N GLU 139.A OE1 no hydrogen 2.922 N/A GLN 136.A NE2 ASN 134.A O no hydrogen 2.955 N/A PHE 140.A N GLN 136.A O no hydrogen 2.885 N/A VAL 141.A N GLY 137.A O no hydrogen 3.160 N/A CYS 142.A N GLU 138.A O no hydrogen 3.412 N/A CYS 142.A SG GLU 138.A O no hydrogen 3.435 N/A LEU 143.A N GLU 139.A O no hydrogen 2.971 N/A LYS 144.A N PHE 140.A O no hydrogen 3.019 N/A LYS 144.A NZ GLU 18.A OE1 no hydrogen 3.502 N/A LYS 144.A NZ GLU 18.A OE2 no hydrogen 2.776 N/A SER 145.A N VAL 141.A O no hydrogen 3.215 N/A SER 145.A OG VAL 141.A O no hydrogen 3.347 N/A ILE 146.A N CYS 142.A O no hydrogen 2.891 N/A ILE 147.A N LEU 143.A O no hydrogen 2.994 N/A LEU 148.A N LYS 144.A O no hydrogen 3.135 N/A LEU 149.A N SER 145.A O no hydrogen 3.119 N/A ASN 150.A N ILE 146.A O no hydrogen 2.822 N/A ASN 150.A ND2 TYR 154.A OH no hydrogen 3.235 N/A SER 151.A N ILE 147.A O no hydrogen 3.083 N/A SER 151.A OG GLU 80.A OE1 no hydrogen 3.487 N/A SER 151.A OG GLU 80.A OE2 no hydrogen 2.629 N/A SER 151.A OG ILE 147.A O no hydrogen 3.079 N/A VAL 153.A N ASN 150.A O no hydrogen 3.192 N/A THR 155.A N GLY 152.A O no hydrogen 3.306 N/A THR 155.A OG1 GLY 152.A O no hydrogen 3.019 N/A THR 160.A OG1 SER 163.A OG no hydrogen 3.168 N/A SER 163.A N THR 160.A OG1 no hydrogen 3.127 N/A SER 163.A OG THR 160.A OG1 no hydrogen 3.168 N/A LEU 164.A N THR 160.A O no hydrogen 3.040 N/A GLU 165.A N LEU 161.A O no hydrogen 2.985 N/A GLU 166.A N LYS 162.A O no hydrogen 2.822 N/A LYS 167.A N SER 163.A O no hydrogen 2.934 N/A LYS 167.A NZ SER 158.A O no hydrogen 3.313 N/A ASP 168.A N LEU 164.A O no hydrogen 3.012 N/A HIS 169.A N GLU 165.A O no hydrogen 3.036 N/A HIS 169.A NE2 GLY 61.A O no hydrogen 3.225 N/A ILE 170.A N GLU 166.A O no hydrogen 2.985 N/A HIS 171.A N LYS 167.A O no hydrogen 2.973 N/A ARG 172.A N ASP 168.A O no hydrogen 2.954 N/A ARG 172.A NE ASP 168.A OD2 no hydrogen 2.766 N/A VAL 173.A N HIS 169.A O no hydrogen 2.949 N/A LEU 174.A N ILE 170.A O no hydrogen 2.912 N/A ASP 175.A N HIS 171.A O no hydrogen 2.961 N/A LYS 176.A N ARG 172.A O no hydrogen 3.060 N/A LYS 176.A NZ LEU 5.A O no hydrogen 2.835 N/A ILE 177.A N VAL 173.A O no hydrogen 2.991 N/A THR 178.A N LEU 174.A O no hydrogen 2.964 N/A THR 178.A OG1 LEU 174.A O no hydrogen 3.143 N/A ASP 179.A N ASP 175.A O no hydrogen 2.975 N/A THR 180.A N LYS 176.A O no hydrogen 2.981 N/A THR 180.A OG1 LYS 176.A O no hydrogen 2.993 N/A LEU 181.A N ILE 177.A O no hydrogen 2.906 N/A ILE 182.A N THR 178.A O no hydrogen 2.980 N/A HIS 183.A N ASP 179.A O no hydrogen 2.845 N/A LEU 184.A N THR 180.A O no hydrogen 2.936 N/A MET 185.A N LEU 181.A O no hydrogen 3.077 N/A ALA 186.A N ILE 182.A O no hydrogen 2.865 N/A LYS 187.A N HIS 183.A O no hydrogen 2.887 N/A ALA 188.A N MET 185.A O no hydrogen 3.256 N/A GLY 189.A N ALA 186.A O no hydrogen 3.250 N/A LEU 190.A N MET 185.A O no hydrogen 3.176 N/A THR 191.A N GLN 194.A OE1 no hydrogen 2.867 N/A GLN 194.A N THR 191.A OG1 no hydrogen 3.114 N/A GLN 195.A N THR 191.A O no hydrogen 2.817 N/A GLN 195.A NE2 LEU 190.A O no hydrogen 2.878 N/A HIS 196.A N LEU 192.A O no hydrogen 3.097 N/A GLN 197.A N GLN 193.A O no hydrogen 3.047 N/A ARG 198.A N GLN 194.A O no hydrogen 2.954 N/A ARG 198.A NE GLU 139.A OE2 no hydrogen 2.794 N/A ARG 198.A NH1 MET 133.A O no hydrogen 2.988 N/A ARG 198.A NH2 MET 133.A O no hydrogen 3.053 N/A ARG 198.A NH2 GLU 139.A OE1 no hydrogen 2.922 N/A ARG 198.A NH2 GLU 139.A OE2 no hydrogen 3.552 N/A LEU 199.A N GLN 195.A O no hydrogen 2.993 N/A ALA 200.A N HIS 196.A O no hydrogen 3.129 N/A GLN 201.A N GLN 197.A O no hydrogen 2.961 N/A LEU 202.A N ARG 198.A O no hydrogen 2.979 N/A LEU 203.A N LEU 199.A O no hydrogen 3.052 N/A LEU 204.A N ALA 200.A O no hydrogen 2.911 N/A ILE 205.A N GLN 201.A O no hydrogen 3.357 N/A ILE 205.A N LEU 202.A O no hydrogen 3.245 N/A LEU 206.A N LEU 203.A O no hydrogen 3.168 N/A SER 207.A N LEU 204.A O no hydrogen 3.164 N/A ILE 209.A N ILE 205.A O no hydrogen 3.060 N/A ARG 210.A N LEU 206.A O no hydrogen 2.955 N/A HIS 211.A N SER 207.A O no hydrogen 3.018 N/A MET 212.A N HIS 208.A O no hydrogen 2.858 N/A SER 213.A N ILE 209.A O no hydrogen 2.981 N/A ASN 214.A N ARG 210.A O no hydrogen 2.930 N/A LYS 215.A N HIS 211.A O no hydrogen 2.983 N/A LYS 215.A NZ GLU 218.A OE2 no hydrogen 3.095 N/A GLY 216.A N MET 212.A O no hydrogen 2.867 N/A MET 217.A N SER 213.A O no hydrogen 2.825 N/A GLU 218.A N ASN 214.A O no hydrogen 3.035 N/A HIS 219.A N LYS 215.A O no hydrogen 3.424 N/A LEU 220.A N GLY 216.A O no hydrogen 2.947 N/A TYR 221.A N MET 217.A O no hydrogen 2.990 N/A SER 222.A N GLU 218.A O no hydrogen 3.319 N/A SER 222.A OG HIS 219.A O no hydrogen 2.784 N/A MET 223.A N LEU 220.A O no hydrogen 3.151 N/A LYS 224.A N LEU 220.A O no hydrogen 2.475 N/A LEU 234.A N PRO 230.A O no hydrogen 3.141 N/A LEU 235.A N LEU 231.A O no hydrogen 2.762 N/A LEU 236.A N TYR 232.A O no hydrogen 2.859 N/A GLU 237.A N ASP 233.A O no hydrogen 3.024 N/A MET 238.A N LEU 234.A O no hydrogen 3.217 N/A LEU 239.A N LEU 235.A O no hydrogen 2.802 N/A ASP 240.A N LEU 236.A O no hydrogen 2.640 N/A ALA 241.A N LEU 239.A O no hydrogen 2.860 N/A