Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nyy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N GLN 6.A OE1 no hydrogen 2.971 N/A SER 3.A OG GLN 6.A OE1 no hydrogen 3.375 N/A GLY 4.A N ASP 47.A OD1 no hydrogen 2.833 N/A GLN 6.A N SER 3.A OG no hydrogen 3.145 N/A ARG 7.A N SER 3.A O no hydrogen 2.961 N/A ARG 7.A NE VAL 2.A O no hydrogen 2.920 N/A ARG 7.A NH1 ASP 17.A OD2 no hydrogen 2.838 N/A ARG 7.A NH2 VAL 2.A O no hydrogen 3.219 N/A LEU 8.A N GLY 4.A O no hydrogen 2.964 N/A LEU 8.A N PHE 5.A O no hydrogen 3.208 N/A GLN 9.A N GLN 6.A O no hydrogen 3.219 N/A GLN 9.A NE2 PHE 5.A O no hydrogen 2.790 N/A LYS 10.A N ARG 7.A O no hydrogen 3.366 N/A SER 14.A N GLU 219.A OE1 no hydrogen 3.179 N/A SER 14.A OG GLU 219.A OE2 no hydrogen 2.575 N/A GLN 15.A N VAL 12.A O no hydrogen 2.985 N/A GLN 15.A NE2 ARG 7.A O no hydrogen 2.825 N/A GLN 15.A NE2 PRO 11.A O no hydrogen 3.101 N/A ARG 19.A N GLN 15.A O no hydrogen 3.018 N/A ARG 19.A NE SER 225.A O no hydrogen 2.818 N/A ARG 19.A NH2 SER 225.A O no hydrogen 3.228 N/A ARG 19.A NH2 SER 225.A OG no hydrogen 2.896 N/A ARG 20.A N PRO 16.A O no hydrogen 2.988 N/A ARG 20.A NH2 ASP 17.A OD1 no hydrogen 3.110 N/A GLN 21.A N PHE 18.A O no hydrogen 3.086 N/A GLN 21.A NE2 PHE 18.A O no hydrogen 2.876 N/A SER 24.A N GLU 49.A OE2 no hydrogen 2.979 N/A SER 24.A OG TYR 43.A OH no hydrogen 3.358 N/A GLN 27.A NE2 PRO 230.A O no hydrogen 2.923 N/A VAL 28.A N GLU 25.A O no hydrogen 2.976 N/A TYR 29.A N THR 26.A O no hydrogen 3.059 N/A TYR 29.A OH ASP 39.A OD2 no hydrogen 2.623 N/A LYS 31.A N GLN 27.A O no hydrogen 3.438 N/A LYS 31.A NZ ARG 233.A O no hydrogen 3.436 N/A LYS 31.A NZ GLU 236.A OE2.A no hydrogen 2.962 N/A GLN 32.A N TYR 29.A O no hydrogen 3.072 N/A ALA 33.A N LEU 30.A O no hydrogen 3.116 N/A GLY 37.A N ASN 87.A OD1 no hydrogen 2.716 N/A ARG 38.A N ASP 35.A OD1 no hydrogen 3.204 N/A ARG 38.A NE ASP 39.A OD1 no hydrogen 2.874 N/A ARG 38.A NH1 GLN 63.A OE1 no hydrogen 2.919 N/A ARG 38.A NH2 ASP 39.A OD1 no hydrogen 2.844 N/A ASP 39.A N ASP 35.A O no hydrogen 3.092 N/A VAL 40.A N PRO 36.A O no hydrogen 2.861 N/A GLY 41.A N GLY 37.A O no hydrogen 3.014 N/A LEU 42.A N ARG 38.A O no hydrogen 2.901 N/A TYR 43.A N ASP 39.A O no hydrogen 2.898 N/A TYR 43.A OH GLU 49.A OE2 no hydrogen 2.467 N/A TRP 44.A N VAL 40.A O no hydrogen 2.898 N/A TRP 44.A NE1 PRO 22.A O no hydrogen 2.791 N/A THR 46.A N TYR 43.A O no hydrogen 2.991 N/A THR 46.A OG1 TYR 43.A O no hydrogen 2.712 N/A PHE 48.A N TRP 44.A O no hydrogen 2.773 N/A GLU 49.A N THR 46.A OG1 no hydrogen 2.965 N/A ASN 50.A N THR 46.A O no hydrogen 2.817 N/A ASN 50.A N ASP 47.A O no hydrogen 3.325 N/A ASN 50.A ND2 ASP 47.A O no hydrogen 2.914 N/A ARG 51.A N THR 46.A O no hydrogen 2.863 N/A SER 58.A OG SER 60.A OG no hydrogen 3.230 N/A SER 60.A OG SER 58.A OG no hydrogen 3.230 N/A GLY 61.A N SER 58.A OG no hydrogen 3.232 N/A PHE 62.A N SER 58.A O no hydrogen 3.005 N/A GLN 63.A N PRO 59.A O no hydrogen 2.940 N/A LYS 64.A N SER 60.A O no hydrogen 3.143 N/A LEU 65.A N GLY 61.A O no hydrogen 3.135 N/A TYR 66.A N PHE 62.A O no hydrogen 2.784 N/A ARG 67.A N GLN 63.A O no hydrogen 3.046 N/A GLN 68.A N LYS 64.A O no hydrogen 3.327 N/A TRP 69.A N LEU 65.A O no hydrogen 2.904 N/A ARG 70.A N TYR 66.A O no hydrogen 3.020 N/A ARG 70.A NH1.A TYR 66.A OH no hydrogen 3.138 N/A ASN 71.A N GLN 68.A O no hydrogen 3.139 N/A ASN 71.A ND2 GLN 68.A O no hydrogen 3.207 N/A GLN 72.A N TRP 69.A O no hydrogen 2.998 N/A TRP 75.A N GLN 72.A O no hydrogen 3.072 N/A TYR 78.A N GLY 74.A O.A no hydrogen 3.117 N/A TYR 78.A N GLY 74.A O.B no hydrogen 3.189 N/A TYR 78.A OH GLY 41.A O no hydrogen 2.671 N/A VAL 79.A N TRP 75.A O no hydrogen 2.809 N/A GLN 80.A N ASP 76.A O no hydrogen 3.152 N/A SER 81.A N ALA 77.A O no hydrogen 3.111 N/A SER 81.A OG ALA 77.A O no hydrogen 3.242 N/A CYS 82.A N TYR 78.A O no hydrogen 3.095 N/A CYS 82.A SG TYR 78.A O no hydrogen 3.464 N/A ARG 83.A N VAL 79.A O no hydrogen 2.814 N/A ARG 83.A NE ASP 35.A OD1 no hydrogen 3.113 N/A ARG 83.A NE ASP 35.A OD2 no hydrogen 3.300 N/A ARG 83.A NH2 ASP 35.A OD2 no hydrogen 2.832 N/A ALA 84.A N GLN 80.A O no hydrogen 2.829 N/A ILE 85.A N SER 81.A O no hydrogen 3.320 N/A ILE 85.A N CYS 82.A O no hydrogen 3.255 N/A TRP 86.A N CYS 82.A O no hydrogen 3.102 N/A TRP 86.A NE1 GLN 21.A OE1 no hydrogen 2.954 N/A ASN 87.A N ARG 83.A O no hydrogen 2.791 N/A ASN 87.A ND2 ASP 35.A OD1 no hydrogen 2.857 N/A PHE 92.A N ALA 238.A O no hydrogen 2.906 N/A GLN 96.A N ILE 240.A O no hydrogen 2.727 N/A GLN 96.A NE2 ARG 239.A O no hydrogen 3.093 N/A SER 97.A N ASP 103.A OD2 no hydrogen 2.778 N/A SER 97.A OG.A ASP 99.A O no hydrogen 2.712 N/A SER 97.A OG.A ASP 99.A OD1 no hydrogen 2.634 N/A SER 97.A OG.B ASP 99.A O no hydrogen 3.520 N/A SER 97.A OG.B THR 101.A O no hydrogen 2.777 N/A LEU 98.A N CYS 242.A O no hydrogen 2.723 N/A THR 101.A N ASP 99.A O no hydrogen 2.858 N/A THR 101.A OG1 TYR 135.A OH no hydrogen 2.717 N/A LYS 104.A N GLU 102.A OE2 no hydrogen 2.920 N/A LYS 104.A NZ GLU 102.A OE2 no hydrogen 3.076 N/A TYR 107.A OH GLU 236.A OE1.B no hydrogen 2.671 N/A SER 110.A OG GLU 113.A OE2 no hydrogen 2.552 N/A TRP 111.A N ASP 109.A OD1 no hydrogen 3.271 N/A GLU 113.A N SER 110.A O no hydrogen 2.851 N/A ARG 114.A N TRP 111.A O no hydrogen 2.945 N/A ARG 114.A NH1 GLU 123.A OE2 no hydrogen 2.989 N/A GLY 121.A N GLU 123.A OE2 no hydrogen 3.111 N/A HIS 122.A N LYS 119.A O no hydrogen 2.731 N/A GLU 123.A N GLU 123.A OE1 no hydrogen 2.855 N/A GLY 124.A N GLU 113.A OE1 no hydrogen 2.936 N/A THR 125.A N LEU 213.A O no hydrogen 2.891 N/A ILE 127.A N LEU 211.A O no hydrogen 2.769 N/A GLU 129.A N LYS 104.A O no hydrogen 3.230 N/A LYS 130.A N TYR 136.A OH no hydrogen 3.161 N/A THR 132.A N LYS 130.A O no hydrogen 2.819 N/A TYR 135.A OH THR 101.A OG1 no hydrogen 2.717 N/A TYR 135.A OH GLU 102.A O no hydrogen 2.732 N/A TYR 136.A OH LYS 104.A O no hydrogen 2.612 N/A VAL 138.A N GLY 192.A O no hydrogen 2.890 N/A VAL 139.A N PRO 93.A O no hydrogen 2.843 N/A SER 140.A N ASP 189.A O no hydrogen 2.932 N/A SER 140.A OG THR 141.A O no hydrogen 2.647 N/A THR 141.A OG1 ASP 142.A O no hydrogen 2.703 N/A GLY 143.A N VAL 185.A O no hydrogen 2.954 N/A VAL 144.A N THR 161.A O no hydrogen 2.991 N/A VAL 145.A N ASP 183.A O no hydrogen 2.928 N/A THR 146.A N GLY 159.A O no hydrogen 2.827 N/A THR 146.A OG1.A VAL 144.A O no hydrogen 3.353 N/A THR 146.A OG1.A THR 161.A OG1 no hydrogen 2.566 N/A THR 146.A OG1.B THR 161.A OG1 no hydrogen 3.023 N/A GLU 147.A N GLY 159.A O no hydrogen 3.362 N/A LYS 148.A NZ LEU 179.A O no hydrogen 2.689 N/A GLY 149.A N ARG 157.A O no hydrogen 3.107 N/A LEU 151.A N GLY 155.A O no hydrogen 2.883 N/A GLY 154.A N LEU 151.A O no hydrogen 3.232 N/A TRP 156.A N SER 196.A OG no hydrogen 2.996 N/A ARG 157.A N GLY 149.A O no hydrogen 3.178 N/A ARG 157.A NH1 GLY 149.A O no hydrogen 2.978 N/A ILE 158.A N TYR 170.A O no hydrogen 2.894 N/A GLY 159.A N GLU 147.A O no hydrogen 2.865 N/A ILE 160.A N PHE 168.A O no hydrogen 2.926 N/A THR 161.A N VAL 144.A O no hydrogen 2.957 N/A THR 161.A OG1 THR 146.A OG1.A no hydrogen 2.566 N/A THR 161.A OG1 THR 146.A OG1.B no hydrogen 3.023 N/A ALA 162.A N ALA 166.A O no hydrogen 2.841 N/A THR 164.A N ASP 88.A OD2 no hydrogen 2.866 N/A THR 164.A OG1 ASP 88.A OD1 no hydrogen 2.690 N/A THR 164.A OG1 ASP 88.A OD2 no hydrogen 3.187 N/A GLY 165.A N ALA 162.A O no hydrogen 2.964 N/A TYR 167.A N TYR 216.A O no hydrogen 2.927 N/A PHE 168.A N ILE 160.A O no hydrogen 2.791 N/A TYR 169.A N GLY 214.A O no hydrogen 2.826 N/A TYR 170.A N ILE 158.A O no hydrogen 2.930 N/A ALA 171.A N HIS 212.A O no hydrogen 2.941 N/A HIS 172.A N GLY 154.A O no hydrogen 2.830 N/A HIS 172.A ND1 SER 196.A O no hydrogen 2.741 N/A LEU 173.A N TRP 156.A O no hydrogen 2.974 N/A ASP 174.A N TYR 193.A O no hydrogen 2.780 N/A TYR 176.A OH ARG 157.A O no hydrogen 2.738 N/A ALA 177.A N LEU 191.A O no hydrogen 2.943 N/A GLU 180.A N ASP 183.A OD2 no hydrogen 2.949 N/A GLY 182.A N VAL 145.A O no hydrogen 2.735 N/A ASP 183.A N GLU 180.A O no hydrogen 3.014 N/A VAL 185.A N GLY 143.A O no hydrogen 2.864 N/A LYS 186.A N ASP 189.A OD2 no hydrogen 2.875 N/A LYS 186.A NZ ASP 142.A OD2 no hydrogen 3.230 N/A ALA 187.A N ASP 142.A OD1 no hydrogen 2.855 N/A GLY 188.A N SER 140.A O no hydrogen 2.806 N/A ASP 189.A N LYS 186.A O no hydrogen 2.944 N/A LEU 191.A N VAL 138.A O no hydrogen 2.803 N/A GLY 192.A N VAL 138.A O no hydrogen 3.377 N/A TYR 193.A N SER 175.A O no hydrogen 3.043 N/A SER 196.A N HIS 172.A O no hydrogen 3.262 N/A SER 196.A OG LEU 173.A O no hydrogen 2.687 N/A GLY 197.A N THR 203.A O no hydrogen 2.923 N/A TYR 198.A N GLU 152.A O no hydrogen 2.937 N/A THR 203.A N GLU 200.A O no hydrogen 3.030 N/A THR 203.A OG1 GLU 200.A O no hydrogen 2.635 N/A GLY 205.A N ASP 195.A O no hydrogen 3.344 N/A GLY 205.A N ASP 195.A OD1 no hydrogen 3.123 N/A VAL 209.A N ASN 131.A OD1 no hydrogen 2.886 N/A HIS 210.A N GLY 194.A O no hydrogen 3.145 N/A HIS 210.A ND1 PRO 208.A O no hydrogen 2.916 N/A LEU 211.A N ILE 127.A O no hydrogen 2.820 N/A HIS 212.A N ALA 171.A O no hydrogen 3.371 N/A HIS 212.A ND1 ASP 126.A OD1 no hydrogen 2.747 N/A LEU 213.A N THR 125.A O no hydrogen 2.881 N/A GLY 214.A N TYR 169.A O no hydrogen 2.892 N/A TYR 216.A N TYR 167.A O no hydrogen 2.874 N/A TYR 216.A OH GLY 121.A O no hydrogen 2.623 N/A LEU 217.A N ILE 224.A O no hydrogen 2.950 N/A GLU 219.A N GLU 222.A O no hydrogen 2.830 N/A GLU 222.A N GLU 219.A O no hydrogen 3.001 N/A ILE 224.A N LEU 217.A O no hydrogen 2.828 N/A SER 225.A OG GLU 123.A OE1 no hydrogen 2.739 N/A VAL 226.A N ILE 215.A O no hydrogen 2.906 N/A ASN 227.A N ARG 19.A O no hydrogen 2.794 N/A ASN 227.A ND2 ARG 20.A O no hydrogen 2.968 N/A ASN 227.A ND2 ASP 109.A OD1 no hydrogen 2.885 N/A ASN 227.A ND2 ASP 109.A OD2 no hydrogen 3.325 N/A TYR 229.A N ASN 227.A OD1 no hydrogen 3.120 N/A LEU 232.A N PRO 228.A O no hydrogen 2.958 N/A ARG 233.A N TYR 229.A O no hydrogen 2.895 N/A ARG 233.A NE GLU 236.A OE1.A no hydrogen 2.771 N/A ARG 233.A NH1 TYR 229.A OH no hydrogen 2.982 N/A ARG 233.A NH2 GLU 236.A OE1.A no hydrogen 3.236 N/A TYR 234.A N PRO 230.A O no hydrogen 2.925 N/A ALA 235.A N VAL 231.A O no hydrogen 2.978 N/A GLU 236.A N.A ARG 233.A O no hydrogen 3.199 N/A GLU 236.A N.B ARG 233.A O no hydrogen 3.272 N/A ALA 238.A N ALA 235.A O no hydrogen 2.872 N/A ARG 239.A NE ILE 94.A O no hydrogen 2.921 N/A ARG 239.A NH2 PRO 95.A O no hydrogen 2.860 N/A ARG 239.A NH2 ASP 103.A O no hydrogen 2.804 N/A CYS 242.A N GLN 96.A O no hydrogen 2.984 N/A TYR 244.A N ASP 99.A OD1 no hydrogen 2.951 N/A TYR 244.A OH PRO 95.A O no hydrogen 2.673 N/A SER 245.A N ASP 99.A OD2 no hydrogen 3.099 N/A