Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ay3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N LEU 25.A O no hydrogen 2.946 N/A ASN 3.A N ASP 65.A OD2 no hydrogen 2.299 N/A ARG 4.A NH1 ASP 63.A O no hydrogen 2.890 N/A LEU 5.A N GLU 28.A O no hydrogen 2.812 N/A LEU 6.A N GLY 66.A O no hydrogen 2.892 N/A VAL 7.A N ARG 30.A O no hydrogen 2.972 N/A THR 8.A N ILE 68.A O no hydrogen 3.093 N/A ALA 10.A N SER 32.A O no hydrogen 2.930 N/A ALA 11.A N ASP 33.A OD2 no hydrogen 2.839 N/A GLY 12.A N GLY 9.A O no hydrogen 3.192 N/A SER 16.A N GLY 12.A O no hydrogen 2.942 N/A SER 16.A OG GLY 12.A O no hydrogen 2.448 N/A ALA 17.A N GLY 13.A O no hydrogen 3.028 N/A ILE 18.A N VAL 14.A O no hydrogen 2.917 N/A ARG 19.A N SER 16.A O no hydrogen 2.980 N/A ARG 19.A NE GLU 44.A OE1 no hydrogen 2.904 N/A ARG 19.A NH1 ALA 39.A O no hydrogen 3.100 N/A ARG 19.A NH2 LEU 37.A O no hydrogen 2.596 N/A HIS 21.A N ILE 18.A O no hydrogen 2.814 N/A LEU 22.A N ARG 19.A O no hydrogen 3.369 N/A THR 24.A N HIS 21.A O no hydrogen 2.851 N/A LEU 25.A N LEU 22.A O no hydrogen 3.151 N/A HIS 27.A N LEU 2.A O no hydrogen 3.038 N/A GLU 28.A N ASN 3.A O no hydrogen 3.025 N/A VAL 29.A N HIS 43.A O no hydrogen 2.909 N/A ARG 30.A N LEU 5.A O no hydrogen 2.624 N/A ARG 30.A NE GLU 45.A OE1 no hydrogen 2.715 N/A ARG 30.A NH1 LEU 60.A O no hydrogen 2.750 N/A ARG 30.A NH1 LYS 62.A O no hydrogen 3.059 N/A ARG 30.A NH2 GLU 45.A OE1 no hydrogen 3.050 N/A LEU 31.A N GLU 45.A O no hydrogen 2.933 N/A SER 32.A N VAL 7.A O no hydrogen 2.837 N/A SER 32.A OG VAL 47.A O no hydrogen 2.841 N/A ILE 34.A N ASP 33.A OD1 no hydrogen 2.714 N/A GLU 41.A N GLU 44.A OE2 no hydrogen 3.273 N/A GLU 44.A N GLU 41.A O no hydrogen 2.880 N/A GLU 45.A N VAL 29.A O no hydrogen 3.070 N/A VAL 47.A N LEU 31.A O no hydrogen 3.071 N/A CYS 49.A N ASP 33.A O no hydrogen 3.405 N/A CYS 49.A SG ASP 50.A O no hydrogen 3.285 N/A ALA 52.A N ASP 50.A OD1 no hydrogen 3.150 N/A ASP 53.A N ASP 50.A O no hydrogen 3.421 N/A GLN 55.A NE2 ASP 59.A OD1 no hydrogen 2.642 N/A VAL 57.A N ASP 53.A O no hydrogen 2.934 N/A HIS 58.A N ALA 54.A O no hydrogen 2.805 N/A ASP 59.A N GLN 55.A O no hydrogen 2.862 N/A LEU 60.A N ALA 56.A O no hydrogen 2.899 N/A VAL 61.A N VAL 57.A O no hydrogen 2.779 N/A LYS 62.A N HIS 58.A O no hydrogen 2.998 N/A CYS 64.A N VAL 61.A O no hydrogen 3.037 N/A CYS 64.A SG LEU 60.A O no hydrogen 3.783 N/A CYS 64.A SG LYS 62.A O no hydrogen 3.970 N/A ASP 65.A N ARG 4.A O no hydrogen 2.575 N/A GLY 66.A N ARG 4.A O no hydrogen 3.285 N/A ILE 67.A N ARG 104.A O no hydrogen 2.827 N/A ILE 68.A N LEU 6.A O no hydrogen 2.915 N/A HIS 69.A N VAL 106.A O no hydrogen 2.762 N/A VAL 73.A N ASN 86.A OD1 no hydrogen 2.988 N/A ARG 77.A N GLU 76.A OE1 no hydrogen 3.243 N/A TRP 79.A N ASP 264.A OD2 no hydrogen 3.007 N/A ILE 82.A N PRO 78.A O no hydrogen 3.174 N/A LEU 83.A N TRP 79.A O no hydrogen 2.729 N/A GLN 84.A N ASN 80.A O no hydrogen 3.022 N/A GLN 84.A N ASP 81.A O no hydrogen 3.069 N/A ALA 85.A N ASP 81.A O no hydrogen 3.028 N/A ASN 86.A N ILE 82.A O no hydrogen 2.808 N/A ASN 86.A ND2 VAL 73.A O no hydrogen 3.138 N/A ASN 86.A ND2 SER 138.A OG no hydrogen 2.931 N/A ILE 87.A N ILE 82.A O no hydrogen 3.114 N/A ILE 88.A N LEU 83.A O no hydrogen 3.127 N/A GLY 89.A N GLN 84.A O no hydrogen 3.178 N/A ALA 90.A N ASN 86.A O no hydrogen 3.272 N/A TYR 91.A N ILE 87.A O no hydrogen 3.084 N/A ASN 92.A N ILE 88.A O no hydrogen 3.042 N/A ASN 92.A ND2 LEU 51.A O no hydrogen 3.222 N/A LEU 93.A N GLY 89.A O no hydrogen 3.295 N/A TYR 94.A N ALA 90.A O no hydrogen 3.032 N/A TYR 94.A OH THR 157.A OG1 no hydrogen 2.743 N/A GLU 95.A N TYR 91.A O no hydrogen 2.773 N/A ALA 96.A N ASN 92.A O no hydrogen 2.875 N/A ALA 97.A N LEU 93.A O no hydrogen 2.937 N/A ARG 98.A N TYR 94.A O no hydrogen 2.671 N/A ARG 98.A NE GLU 95.A OE1 no hydrogen 3.046 N/A ARG 98.A NH2 GLU 95.A OE2 no hydrogen 2.795 N/A ASN 99.A N ALA 96.A O no hydrogen 2.913 N/A LEU 100.A N ALA 97.A O no hydrogen 3.238 N/A LYS 102.A N ALA 97.A O no hydrogen 3.187 N/A LYS 102.A NZ PHE 153.A O no hydrogen 2.852 N/A ARG 104.A NE ALA 191.A O no hydrogen 3.070 N/A ARG 104.A NH1 GLU 156.A OE1 no hydrogen 2.336 N/A ARG 104.A NH2 ALA 191.A O no hydrogen 3.346 N/A ARG 104.A NH2 ALA 194.A O no hydrogen 2.524 N/A ILE 105.A N GLU 156.A O no hydrogen 3.149 N/A VAL 106.A N ILE 67.A O no hydrogen 2.745 N/A PHE 107.A N LEU 158.A O no hydrogen 2.906 N/A ALA 108.A N HIS 69.A O no hydrogen 3.175 N/A SER 109.A N ILE 160.A O no hydrogen 2.928 N/A SER 109.A OG GLU 143.A OE2 no hydrogen 2.559 N/A ASN 111.A N ILE 162.A O no hydrogen 3.057 N/A ASN 111.A ND2 ILE 162.A O no hydrogen 3.271 N/A ASN 111.A ND2 GLY 163.A O no hydrogen 3.515 N/A HIS 112.A N SER 110.A OG no hydrogen 3.031 N/A HIS 112.A ND1 ASP 132.A OD2 no hydrogen 2.580 N/A THR 113.A N SER 110.A O no hydrogen 3.108 N/A THR 113.A OG1 SER 110.A O no hydrogen 3.034 N/A ILE 114.A N ASN 111.A O no hydrogen 3.024 N/A TYR 116.A N ARG 130.A O no hydrogen 2.900 N/A TYR 117.A N ILE 114.A O no hydrogen 2.832 N/A TYR 117.A OH PRO 128.A O no hydrogen 2.616 N/A ARG 119.A N ILE 251.A O no hydrogen 2.774 N/A ARG 119.A NH1 VAL 250.A O no hydrogen 3.177 N/A THR 121.A N PRO 118.A O no hydrogen 3.016 N/A ARG 122.A NH1 SER 211.A OG no hydrogen 3.340 N/A ILE 123.A N TRP 212.A O no hydrogen 2.898 N/A GLU 126.A N ASP 124.A OD2 no hydrogen 2.830 N/A VAL 127.A N ASP 124.A O no hydrogen 3.507 N/A ARG 129.A NH1 GLU 143.A OE1 no hydrogen 2.790 N/A ARG 129.A NH1 ASP 144.A OD1 no hydrogen 3.323 N/A ARG 129.A NH2 ASP 144.A OD1 no hydrogen 2.829 N/A ARG 129.A NH2 ASP 144.A OD2 no hydrogen 2.614 N/A ARG 130.A N THR 113.A O no hydrogen 2.729 N/A ARG 130.A NH1 TYR 116.A O no hydrogen 3.191 N/A ASP 132.A N HIS 112.A O no hydrogen 3.220 N/A SER 133.A OG ASP 132.A OD1 no hydrogen 2.765 N/A LEU 134.A N GLU 76.A OE2 no hydrogen 2.931 N/A TYR 135.A N GLU 76.A OE1 no hydrogen 3.063 N/A GLY 136.A N SER 133.A OG no hydrogen 2.865 N/A LEU 137.A N SER 133.A O no hydrogen 2.648 N/A SER 138.A N LEU 134.A O no hydrogen 2.765 N/A SER 138.A OG TYR 135.A O no hydrogen 2.664 N/A LYS 139.A N TYR 135.A O no hydrogen 3.037 N/A LYS 139.A NZ ALA 108.A O no hydrogen 2.706 N/A CYS 140.A N GLY 136.A O no hydrogen 3.075 N/A CYS 140.A N LEU 137.A O no hydrogen 2.896 N/A CYS 140.A SG GLY 136.A O no hydrogen 3.352 N/A PHE 141.A N LEU 137.A O no hydrogen 3.012 N/A GLY 142.A N SER 138.A O no hydrogen 3.173 N/A GLU 143.A N LYS 139.A O no hydrogen 3.090 N/A ASP 144.A N CYS 140.A O no hydrogen 3.181 N/A LEU 145.A N PHE 141.A O no hydrogen 3.071 N/A ALA 146.A N GLY 142.A O no hydrogen 2.863 N/A SER 147.A N GLU 143.A O no hydrogen 3.032 N/A LEU 148.A N ASP 144.A O no hydrogen 3.227 N/A TYR 149.A N LEU 145.A O no hydrogen 3.087 N/A TYR 149.A OH GLU 95.A OE1 no hydrogen 2.587 N/A TYR 150.A N ALA 146.A O no hydrogen 2.715 N/A HIS 151.A N SER 147.A O no hydrogen 2.974 N/A LYS 152.A N LEU 148.A O no hydrogen 2.673 N/A PHE 153.A N TYR 149.A O no hydrogen 3.264 N/A ASP 154.A N TYR 150.A O no hydrogen 2.920 N/A ILE 155.A N TYR 149.A O no hydrogen 3.140 N/A THR 157.A N GLY 198.A O no hydrogen 2.806 N/A THR 157.A OG1 TYR 94.A OH no hydrogen 2.743 N/A LEU 158.A N ILE 105.A O no hydrogen 3.060 N/A ASN 159.A N THR 200.A O no hydrogen 2.712 N/A ILE 160.A N PHE 107.A O no hydrogen 3.247 N/A ARG 161.A N VAL 202.A O no hydrogen 2.748 N/A ARG 161.A NE GLU 143.A OE2 no hydrogen 2.939 N/A ARG 161.A NH2 GLU 143.A OE1 no hydrogen 2.977 N/A ILE 162.A N SER 109.A O no hydrogen 3.420 N/A GLY 163.A N GLY 204.A O no hydrogen 2.908 N/A SER 164.A N THR 177.A O no hydrogen 2.670 N/A SER 164.A OG THR 177.A OG1 no hydrogen 2.804 N/A CYS 165.A SG LEU 179.A O no hydrogen 3.503 N/A LYS 168.A NZ GLU 235.A OE1 no hydrogen 2.793 N/A LYS 168.A NZ GLU 235.A OE2 no hydrogen 3.442 N/A LYS 170.A NZ LYS 168.A O no hydrogen 2.974 N/A ARG 173.A NE GLN 253.A O no hydrogen 2.873 N/A ARG 173.A NH2 GLN 253.A O no hydrogen 3.004 N/A MET 174.A N ASP 171.A OD1 no hydrogen 3.084 N/A MET 175.A N ASP 171.A O no hydrogen 3.343 N/A MET 175.A N ALA 172.A O no hydrogen 3.250 N/A ALA 176.A N ARG 173.A O no hydrogen 2.849 N/A THR 177.A OG1 SER 164.A OG no hydrogen 2.804 N/A TRP 178.A NE1 PHE 166.A O no hydrogen 2.832 N/A LEU 179.A N SER 164.A O no hydrogen 2.968 N/A SER 180.A N SER 206.A OG no hydrogen 2.898 N/A SER 180.A OG ASP 227.A OD2 no hydrogen 2.674 N/A ASP 183.A N SER 180.A OG no hydrogen 2.784 N/A PHE 184.A N SER 180.A O no hydrogen 3.127 N/A MET 185.A N VAL 181.A O no hydrogen 2.848 N/A ARG 186.A N ASP 182.A O no hydrogen 2.781 N/A ARG 186.A NH1 ASP 183.A OD1 no hydrogen 2.885 N/A ARG 186.A NH1 ASP 227.A OD2 no hydrogen 3.217 N/A LEU 187.A N ASP 183.A O no hydrogen 2.897 N/A MET 188.A N PHE 184.A O no hydrogen 3.004 N/A MET 188.A N MET 185.A O no hydrogen 3.074 N/A LYS 189.A N MET 185.A O no hydrogen 3.110 N/A ARG 190.A N ARG 186.A O no hydrogen 3.214 N/A ARG 190.A NH1 LEU 221.A O no hydrogen 3.189 N/A ALA 191.A N LEU 187.A O no hydrogen 3.080 N/A PHE 192.A N MET 188.A O no hydrogen 3.268 N/A VAL 193.A N LYS 189.A O no hydrogen 3.068 N/A ALA 194.A N ARG 190.A O no hydrogen 2.904 N/A LEU 197.A N GLU 156.A OE2 no hydrogen 2.946 N/A GLY 198.A N GLU 156.A OE2 no hydrogen 2.813 N/A THR 200.A N THR 157.A O no hydrogen 3.158 N/A THR 200.A OG1 LEU 197.A O no hydrogen 2.703 N/A VAL 202.A N ASN 159.A O no hydrogen 2.932 N/A TYR 203.A N ASN 215.A OD1 no hydrogen 2.854 N/A TYR 203.A OH ASP 124.A O no hydrogen 2.726 N/A GLY 204.A N ARG 161.A O no hydrogen 2.843 N/A SER 206.A N TRP 178.A O no hydrogen 2.872 N/A SER 206.A OG ASP 183.A OD2 no hydrogen 2.964 N/A ALA 207.A N ASP 227.A O no hydrogen 2.569 N/A ASN 208.A N SER 206.A O no hydrogen 2.810 N/A ASN 208.A ND2 ALA 176.A O no hydrogen 3.257 N/A ASN 208.A ND2 TRP 178.A O no hydrogen 3.065 N/A THR 209.A OG1 GLU 230.A OE2 no hydrogen 3.209 N/A TRP 213.A NE1 GLN 253.A OE1 no hydrogen 2.715 N/A ASP 214.A N ILE 123.A O no hydrogen 2.739 N/A ASN 215.A ND2 TYR 203.A O no hydrogen 3.007 N/A ASP 216.A N ASP 214.A OD1 no hydrogen 3.076 N/A LYS 217.A NZ ASP 124.A OD1 no hydrogen 2.881 N/A SER 218.A N ASN 215.A O no hydrogen 2.902 N/A SER 218.A OG VAL 201.A O no hydrogen 2.720 N/A ALA 219.A N ASP 216.A O no hydrogen 2.855 N/A LEU 221.A N SER 218.A O no hydrogen 3.065 N/A GLY 222.A N ALA 219.A O no hydrogen 3.057 N/A TRP 223.A NE1 ASP 183.A O no hydrogen 2.906 N/A GLN 226.A N ASP 183.A OD1 no hydrogen 2.735 N/A GLN 226.A NE2 VAL 224.A O no hydrogen 2.455 N/A ASP 227.A N ASP 183.A OD2 no hydrogen 2.859 N/A SER 228.A OG ALA 207.A O no hydrogen 2.675 N/A SER 229.A N ASN 208.A OD1 no hydrogen 2.804 N/A SER 229.A OG MET 175.A O no hydrogen 2.650 N/A SER 229.A OG ASN 208.A OD1 no hydrogen 3.225 N/A GLU 230.A N SER 228.A OG no hydrogen 3.365 N/A TRP 232.A N SER 229.A O no hydrogen 3.086 N/A ARG 233.A N GLU 230.A O no hydrogen 3.337 N/A ARG 233.A NE GLU 230.A OE2 no hydrogen 3.073 N/A ARG 233.A NH1 GLU 210.A OE2 no hydrogen 3.061 N/A ARG 233.A NH2 GLU 210.A OE2 no hydrogen 2.530 N/A ILE 236.A N TRP 232.A O no hydrogen 2.931 N/A GLU 237.A N ARG 233.A O no hydrogen 2.689 N/A GLN 238.A N GLU 234.A O no hydrogen 2.945 N/A GLN 239.A N ILE 236.A O no hydrogen 3.262 N/A GLN 239.A NE2 LYS 170.A O no hydrogen 3.613 N/A ASP 246.A N ASP 244.A OD1 no hydrogen 2.805 N/A ASP 247.A N ASP 244.A O no hydrogen 3.301 N/A ALA 249.A N ASP 247.A OD1 no hydrogen 2.839 N/A VAL 250.A N ASP 247.A O no hydrogen 2.728 N/A ILE 251.A N ASP 247.A O no hydrogen 3.030 N/A TYR 252.A N PRO 248.A O no hydrogen 3.124 N/A GLN 253.A N TYR 117.A O no hydrogen 2.936 N/A GLN 253.A NE2 PRO 118.A O no hydrogen 3.109 N/A GLY 254.A N GLY 115.A O no hydrogen 2.925 N/A GLY 255.A N TYR 252.A O no hydrogen 3.248 N/A VAL 258.A N GLY 255.A O no hydrogen 3.173 N/A ALA 259.A N LYS 256.A O no hydrogen 2.949 N/A ALA 260.A N LYS 256.A O no hydrogen 3.076 N/A ASP 264.A N HIS 262.A ND1 no hydrogen 3.145 N/A ASP 265.A N HIS 262.A O no hydrogen 2.832 N/A ALA 266.A N PRO 263.A O no hydrogen 3.336 N/A