Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aay_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N GLU 242.A O no hydrogen 2.855 N/A ARG 3.A NE ASP 206.A OD1 no hydrogen 3.028 N/A ARG 3.A NH1 LYS 204.A O no hydrogen 3.458 N/A ARG 3.A NH2 LYS 204.A O no hydrogen 2.954 N/A ARG 3.A NH2 ASP 206.A OD1 no hydrogen 2.334 N/A ASP 5.A N ALA 2.A O no hydrogen 2.915 N/A VAL 6.A N ARG 3.A O no hydrogen 3.340 N/A VAL 8.A N LEU 108.A O no hydrogen 2.954 N/A TRP 12.A N SER 9.A OG no hydrogen 2.898 N/A ALA 13.A N SER 9.A O no hydrogen 2.890 N/A GLU 14.A N ALA 10.A O no hydrogen 2.904 N/A SER 15.A N ASP 11.A O no hydrogen 3.425 N/A ASN 16.A N ALA 13.A O no hydrogen 2.913 N/A ALA 19.A N ASN 16.A O no hydrogen 3.362 N/A VAL 22.A N ALA 19.A O no hydrogen 3.254 N/A VAL 23.A N THR 79.A O no hydrogen 2.888 N/A VAL 25.A N ILE 81.A O no hydrogen 2.924 N/A GLU 26.A N ILE 43.A O no hydrogen 2.805 N/A VAL 27.A N TYR 83.A O no hydrogen 2.932 N/A GLU 29.A N ASP 28.A OD1 no hydrogen 2.527 N/A ASP 30.A N GLU 29.A OE1 no hydrogen 2.062 N/A THR 31.A OG1 ASP 35.A OD2 no hydrogen 2.901 N/A SER 32.A N ASP 30.A OD1 no hydrogen 3.121 N/A SER 32.A OG ASP 30.A OD1 no hydrogen 2.906 N/A TYR 34.A OH ALA 42.A O no hydrogen 2.679 N/A ASP 35.A N THR 31.A O no hydrogen 2.858 N/A ARG 36.A N SER 32.A O no hydrogen 3.165 N/A ARG 36.A N ALA 33.A O no hydrogen 3.020 N/A ASP 37.A N ALA 33.A O no hydrogen 3.128 N/A HIS 38.A N SER 124.A O no hydrogen 2.736 N/A HIS 38.A ND1 TYR 34.A O no hydrogen 2.964 N/A ILE 39.A N TYR 83.A OH no hydrogen 3.064 N/A ALA 42.A N ILE 39.A O no hydrogen 2.906 N/A ILE 43.A N PHE 24.A O no hydrogen 2.972 N/A LYS 44.A NZ ASP 35.A OD1 no hydrogen 2.759 N/A LEU 45.A N GLU 26.A O no hydrogen 3.014 N/A ASP 46.A N ASP 50.A OD2 no hydrogen 2.697 N/A TRP 47.A N ASP 28.A O no hydrogen 2.941 N/A ARG 48.A N ASP 46.A OD1 no hydrogen 2.827 N/A THR 49.A N ASP 46.A OD1 no hydrogen 2.878 N/A ASP 50.A N ASP 46.A O no hydrogen 2.932 N/A ASP 53.A N ASP 58.A O no hydrogen 2.865 N/A VAL 55.A N ASP 53.A OD1 no hydrogen 2.661 N/A LYS 56.A N ASP 53.A OD1 no hydrogen 2.912 N/A ARG 57.A NH1 GLY 254.A O no hydrogen 3.346 N/A ARG 57.A NH2 GLY 254.A O no hydrogen 2.929 N/A PHE 59.A N ASP 58.A OD1 no hydrogen 2.919 N/A VAL 60.A N LEU 51.A O no hydrogen 3.103 N/A ASP 61.A N GLN 64.A OE1 no hydrogen 2.780 N/A GLN 64.A N ASP 61.A OD1 no hydrogen 2.951 N/A PHE 65.A N ASP 61.A O no hydrogen 2.904 N/A SER 66.A N ALA 62.A O no hydrogen 2.872 N/A SER 66.A OG ALA 62.A O no hydrogen 2.760 N/A LYS 67.A N GLN 63.A O no hydrogen 2.855 N/A LEU 68.A N GLN 64.A O no hydrogen 2.883 N/A LEU 69.A N PHE 65.A O no hydrogen 3.025 N/A SER 70.A N SER 66.A O no hydrogen 2.934 N/A SER 70.A OG SER 66.A O no hydrogen 2.768 N/A GLU 71.A N LYS 67.A O no hydrogen 3.051 N/A ARG 72.A N LEU 68.A O no hydrogen 3.034 N/A ARG 72.A NH1 LYS 44.A O no hydrogen 2.996 N/A ARG 72.A NH1 ASP 50.A OD2 no hydrogen 3.012 N/A ARG 72.A NH2 ASP 50.A OD1 no hydrogen 2.981 N/A ARG 72.A NH2 ASP 50.A OD2 no hydrogen 3.566 N/A GLY 73.A N SER 70.A O no hydrogen 3.306 N/A ILE 74.A N LEU 69.A O no hydrogen 2.989 N/A ALA 75.A N ASP 78.A OD2 no hydrogen 2.899 N/A ASP 78.A N ALA 75.A O no hydrogen 3.172 N/A THR 79.A N LYS 21.A O no hydrogen 2.736 N/A VAL 80.A N LYS 105.A O no hydrogen 2.951 N/A ILE 81.A N VAL 23.A O no hydrogen 2.813 N/A LEU 82.A N LYS 107.A O no hydrogen 2.918 N/A TYR 83.A N VAL 25.A O no hydrogen 3.046 N/A TYR 83.A OH GLU 26.A OE1 no hydrogen 2.541 N/A GLY 84.A N ASN 88.A OD1 no hydrogen 2.746 N/A ASN 86.A ND2 ASP 28.A OD1 no hydrogen 2.740 N/A ASN 86.A ND2 ASP 28.A OD2 no hydrogen 3.139 N/A ASN 88.A N GLY 85.A O no hydrogen 3.336 N/A ASN 88.A ND2 LEU 109.A O no hydrogen 3.099 N/A TRP 89.A N ASN 86.A O no hydrogen 3.115 N/A ALA 92.A N ASN 88.A O no hydrogen 2.880 N/A TYR 93.A N TRP 89.A O no hydrogen 2.923 N/A ALA 94.A N PHE 90.A O no hydrogen 2.822 N/A TYR 95.A N ALA 91.A O no hydrogen 2.820 N/A TYR 95.A OH GLU 242.A OE2 no hydrogen 2.636 N/A TRP 96.A N ALA 92.A O no hydrogen 2.982 N/A TRP 96.A NE1 ILE 144.A O no hydrogen 2.950 N/A TYR 97.A N TYR 93.A O no hydrogen 2.977 N/A TYR 97.A OH GLN 52.A OE1 no hydrogen 2.921 N/A PHE 98.A N ALA 94.A O no hydrogen 2.857 N/A LYS 99.A N TYR 95.A O no hydrogen 3.006 N/A LYS 99.A NZ HIS 103.A O no hydrogen 2.877 N/A LEU 100.A N TRP 96.A O no hydrogen 2.866 N/A TYR 101.A N TYR 97.A O no hydrogen 3.006 N/A TYR 101.A OH VAL 60.A O no hydrogen 2.531 N/A GLY 102.A N LYS 99.A O no hydrogen 2.999 N/A HIS 103.A N PHE 98.A O no hydrogen 2.946 N/A HIS 103.A ND1 TYR 135.A OH no hydrogen 2.762 N/A HIS 103.A NE2 ASP 78.A O no hydrogen 2.925 N/A LYS 107.A N VAL 80.A O no hydrogen 2.926 N/A LEU 108.A N VAL 6.A O no hydrogen 2.933 N/A LEU 109.A N LEU 82.A O no hydrogen 2.988 N/A ASP 110.A N VAL 8.A O no hydrogen 2.894 N/A GLY 112.A N LEU 109.A O no hydrogen 2.798 N/A ARG 113.A N GLY 84.A O no hydrogen 3.080 N/A ARG 113.A NE GLU 117.A OE2 no hydrogen 2.956 N/A ARG 113.A NH1 GLU 26.A OE2 no hydrogen 2.906 N/A ARG 113.A NH1 ASP 37.A O no hydrogen 2.831 N/A ARG 113.A NH2 ASP 37.A O no hydrogen 2.724 N/A LYS 115.A N GLY 111.A O no hydrogen 3.115 N/A LYS 115.A NZ ASP 119.A OD2 no hydrogen 2.947 N/A TRP 116.A N GLY 112.A O no hydrogen 3.208 N/A TRP 116.A NE1 PRO 122.A O no hydrogen 2.847 N/A GLU 117.A N ARG 113.A O no hydrogen 2.846 N/A LEU 118.A N LYS 114.A O no hydrogen 2.887 N/A ASP 119.A N LYS 115.A O no hydrogen 2.857 N/A GLY 120.A N GLU 117.A O no hydrogen 2.807 N/A ARG 121.A N TRP 116.A O no hydrogen 3.196 N/A ARG 121.A NE ASP 119.A OD2 no hydrogen 2.993 N/A ARG 121.A NH1 GLU 14.A OE1 no hydrogen 2.711 N/A ARG 121.A NH2 ASP 11.A OD1 no hydrogen 3.340 N/A ARG 121.A NH2 ASP 119.A OD2 no hydrogen 3.560 N/A SER 124.A N HIS 38.A O no hydrogen 2.633 N/A ASP 126.A N SER 124.A OG no hydrogen 3.013 N/A ARG 130.A NE GLY 73.A O no hydrogen 2.870 N/A THR 133.A N SER 70.A O no hydrogen 2.946 N/A THR 133.A OG1 SER 70.A O no hydrogen 3.459 N/A THR 133.A OG1 ILE 74.A O no hydrogen 2.805 N/A TYR 135.A N SER 70.A OG no hydrogen 2.859 N/A TYR 135.A OH HIS 103.A ND1 no hydrogen 2.762 N/A ALA 137.A N SER 66.A OG no hydrogen 2.871 N/A SER 138.A N TYR 101.A O no hydrogen 3.065 N/A ASP 141.A N LEU 100.A O no hydrogen 2.811 N/A THR 143.A N ASP 141.A OD1 no hydrogen 3.080 N/A THR 143.A OG1 ASP 141.A OD1 no hydrogen 2.725 N/A THR 143.A OG1 ASP 141.A OD2 no hydrogen 3.322 N/A ILE 144.A N ASP 141.A O no hydrogen 3.196 N/A ARG 145.A N ASN 142.A O no hydrogen 3.285 N/A ARG 145.A NE ASP 253.A OD1 no hydrogen 2.785 N/A ARG 145.A NH2 ASP 58.A OD1 no hydrogen 2.849 N/A ARG 145.A NH2 ASP 253.A OD1 no hydrogen 3.539 N/A ARG 145.A NH2 ASP 253.A OD2 no hydrogen 2.943 N/A ALA 146.A N ASN 251.A O no hydrogen 2.931 N/A PHE 147.A N GLU 150.A OE2 no hydrogen 2.836 N/A ARG 148.A NH1 GLU 258.A OE2 no hydrogen 2.849 N/A VAL 151.A N PHE 147.A O no hydrogen 3.098 N/A LEU 152.A N ARG 148.A O no hydrogen 3.017 N/A ALA 153.A N ASP 149.A O no hydrogen 3.115 N/A ALA 154.A N VAL 151.A O no hydrogen 3.066 N/A ILE 155.A N LEU 152.A O no hydrogen 3.442 N/A VAL 157.A N ALA 154.A O no hydrogen 2.820 N/A LYS 158.A N ALA 154.A O no hydrogen 3.007 N/A LYS 158.A NZ GLU 223.A OE1 no hydrogen 3.432 N/A ASN 159.A N GLU 223.A O no hydrogen 2.820 N/A ILE 161.A N ILE 225.A O no hydrogen 2.869 N/A ASP 162.A N ILE 189.A O no hydrogen 2.803 N/A VAL 163.A N TYR 227.A O no hydrogen 3.016 N/A ARG 164.A N ASP 162.A OD1 no hydrogen 3.184 N/A ARG 164.A NE ASP 162.A OD1 no hydrogen 2.886 N/A ARG 164.A NE ASP 162.A OD2 no hydrogen 3.402 N/A ARG 164.A NH2 ASP 162.A OD2 no hydrogen 2.741 N/A ARG 164.A NH2 GLY 183.A O no hydrogen 2.739 N/A SER 165.A N GLU 168.A OE1 no hydrogen 3.349 N/A SER 165.A OG GLU 168.A OE1 no hydrogen 3.104 N/A GLU 168.A N SER 165.A OG no hydrogen 3.364 N/A PHE 169.A N SER 165.A O no hydrogen 2.959 N/A SER 170.A N PRO 166.A O no hydrogen 2.964 N/A SER 170.A OG ASP 167.A O no hydrogen 3.408 N/A GLY 171.A N ASP 167.A O no hydrogen 3.308 N/A GLY 171.A N GLU 168.A O no hydrogen 3.109 N/A LYS 172.A N SER 170.A OG no hydrogen 3.263 N/A ILE 173.A N ASP 167.A O no hydrogen 3.265 N/A SER 179.A OG ARG 181.A O no hydrogen 2.930 N/A GLN 180.A N GLY 260.A O no hydrogen 2.978 N/A GLN 180.A NE2 GLN 180.A O no hydrogen 3.455 N/A ARG 181.A NH1 GLN 180.A O no hydrogen 3.416 N/A HIS 184.A N GLU 268.A O no hydrogen 2.905 N/A HIS 184.A ND1 ILE 185.A O no hydrogen 3.113 N/A HIS 184.A NE2 GLY 270.A O no hydrogen 3.253 N/A ILE 185.A N TYR 227.A OH no hydrogen 3.026 N/A GLY 187.A N GLU 268.A OE1 no hydrogen 3.078 N/A ALA 188.A N ILE 185.A O no hydrogen 2.861 N/A ILE 189.A N LEU 160.A O no hydrogen 2.874 N/A VAL 191.A N ASP 162.A O no hydrogen 3.013 N/A TRP 193.A N VAL 163.A O no hydrogen 3.051 N/A ARG 195.A N PRO 192.A O no hydrogen 3.081 N/A ALA 196.A N TRP 193.A O no hydrogen 3.174 N/A ALA 197.A N SER 194.A O no hydrogen 3.023 N/A ASN 198.A N THR 202.A O no hydrogen 2.771 N/A GLY 201.A N ASN 198.A O no hydrogen 2.962 N/A THR 202.A N ASP 200.A OD1 no hydrogen 3.018 N/A THR 202.A OG1 ASN 198.A OD1 no hydrogen 3.019 N/A THR 202.A OG1 ASP 200.A OD1 no hydrogen 2.797 N/A PHE 203.A N ASP 110.A OD1 no hydrogen 2.914 N/A LYS 204.A N ALA 196.A O no hydrogen 3.078 N/A SER 205.A N GLU 208.A OE1 no hydrogen 2.843 N/A SER 205.A OG GLU 208.A OE1 no hydrogen 3.146 N/A GLU 208.A N SER 205.A OG no hydrogen 3.077 N/A LEU 209.A N SER 205.A O no hydrogen 2.879 N/A ALA 210.A N ASP 206.A O no hydrogen 2.905 N/A LYS 211.A N GLU 207.A O no hydrogen 3.219 N/A LYS 211.A NZ ASP 215.A OD2 no hydrogen 2.965 N/A LEU 212.A N GLU 208.A O no hydrogen 3.037 N/A TYR 213.A N LEU 209.A O no hydrogen 3.212 N/A ALA 214.A N ALA 210.A O no hydrogen 2.952 N/A ASP 215.A N LYS 211.A O no hydrogen 2.798 N/A ALA 216.A N LEU 212.A O no hydrogen 3.235 N/A GLY 217.A N TYR 213.A O no hydrogen 3.132 N/A GLY 217.A N ALA 214.A O no hydrogen 3.207 N/A LEU 218.A N TYR 213.A O no hydrogen 2.903 N/A SER 221.A N ASP 219.A OD1 no hydrogen 2.814 N/A SER 221.A OG ASP 219.A OD1 no hydrogen 2.613 N/A LYS 222.A N ASP 219.A O no hydrogen 2.973 N/A THR 224.A N ASN 248.A O no hydrogen 2.971 N/A THR 224.A OG1 ASN 159.A OD1 no hydrogen 3.149 N/A ILE 225.A N ASN 159.A O no hydrogen 2.853 N/A ALA 226.A N LYS 250.A O no hydrogen 2.972 N/A TYR 227.A N ILE 161.A O no hydrogen 2.911 N/A TYR 227.A OH ASP 162.A OD2 no hydrogen 2.506 N/A ARG 228.A NE GLU 177.A OE1 no hydrogen 2.672 N/A ARG 228.A NH1 GLU 168.A OE2 no hydrogen 2.627 N/A ARG 228.A NH2 GLU 177.A OE1 no hydrogen 3.189 N/A ILE 229.A N GLU 231.A OE2 no hydrogen 3.450 N/A GLU 231.A N ILE 229.A O no hydrogen 2.346 N/A SER 233.A OG ASN 251.A OD1 no hydrogen 2.656 N/A SER 234.A N GLY 230.A O no hydrogen 3.181 N/A SER 234.A N GLU 231.A O no hydrogen 3.236 N/A SER 234.A OG.A GLU 231.A O no hydrogen 2.803 N/A SER 234.A OG.B GLY 230.A O no hydrogen 2.647 N/A THR 236.A N ARG 232.A O no hydrogen 3.113 N/A THR 236.A OG1 ARG 232.A O no hydrogen 3.452 N/A TRP 237.A N SER 233.A O no hydrogen 2.758 N/A TRP 237.A NE1 VAL 249.A O no hydrogen 2.832 N/A PHE 238.A N SER 234.A O no hydrogen 3.003 N/A VAL 239.A N HIS 235.A O no hydrogen 3.135 N/A LEU 240.A N THR 236.A O no hydrogen 2.865 N/A ARG 241.A N TRP 237.A O no hydrogen 2.858 N/A GLU 242.A N PHE 238.A O no hydrogen 2.831 N/A LEU 243.A N PHE 238.A O no hydrogen 3.222 N/A LEU 244.A N VAL 239.A O no hydrogen 2.938 N/A HIS 246.A N LEU 240.A O no hydrogen 3.159 N/A LYS 250.A N THR 224.A O no hydrogen 2.956 N/A LYS 250.A NZ ASN 142.A O no hydrogen 2.932 N/A LYS 250.A NZ ARG 145.A O no hydrogen 3.098 N/A LYS 250.A NZ GLU 150.A OE1 no hydrogen 2.951 N/A ASN 251.A N ILE 144.A O no hydrogen 2.918 N/A ASN 251.A ND2 GLY 230.A O no hydrogen 3.368 N/A TYR 252.A N ALA 226.A O no hydrogen 2.949 N/A TYR 252.A OH GLU 258.A OE1 no hydrogen 2.728 N/A SER 255.A OG TYR 252.A O no hydrogen 2.766 N/A TRP 256.A NE1 ARG 181.A O no hydrogen 2.836 N/A THR 257.A N ARG 228.A O no hydrogen 3.059 N/A THR 257.A OG1 ARG 228.A O no hydrogen 2.919 N/A THR 257.A OG1 GLY 254.A O no hydrogen 3.153 N/A GLU 258.A N GLY 254.A O no hydrogen 3.290 N/A TYR 259.A N SER 255.A O no hydrogen 2.871 N/A TYR 259.A OH PRO 266.A O no hydrogen 2.662 N/A GLY 260.A N TRP 256.A O no hydrogen 2.767 N/A SER 261.A N GLU 258.A O no hydrogen 2.911 N/A SER 261.A OG THR 257.A O no hydrogen 3.179 N/A LEU 262.A N TYR 259.A O no hydrogen 3.240 N/A GLU 268.A N HIS 184.A O no hydrogen 2.975 N/A GLY 270.A N SER 170.A O no hydrogen 2.715 N/A