Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wye_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ASP 80.A OD2 no hydrogen 2.892 N/A ALA 4.A N ALA 27.A O no hydrogen 2.884 N/A LEU 5.A N VAL 81.A O no hydrogen 2.941 N/A VAL 6.A N ALA 29.A O no hydrogen 3.019 N/A THR 7.A N VAL 83.A O no hydrogen 3.050 N/A THR 7.A OG1 VAL 83.A O no hydrogen 3.374 N/A ALA 9.A N ALA 31.A O no hydrogen 3.173 N/A GLY 10.A N ASP 32.A OD2 no hydrogen 2.944 N/A LYS 15.A N GLN 11.A O no hydrogen 3.189 N/A ALA 16.A N GLY 12.A O no hydrogen 3.162 N/A ILE 17.A N ILE 13.A O no hydrogen 2.871 N/A ALA 18.A N GLY 14.A O no hydrogen 2.912 N/A LEU 19.A N LYS 15.A O no hydrogen 2.960 N/A ARG 20.A N ALA 16.A O no hydrogen 2.989 N/A ARG 20.A NE ASP 24.A OD1 no hydrogen 2.897 N/A LEU 21.A N ILE 17.A O no hydrogen 2.896 N/A VAL 22.A N ALA 18.A O no hydrogen 2.989 N/A LYS 23.A N LEU 19.A O no hydrogen 3.064 N/A ASP 24.A N ARG 20.A O no hydrogen 2.878 N/A GLY 25.A N VAL 22.A O no hydrogen 2.878 N/A PHE 26.A N LEU 21.A O no hydrogen 2.872 N/A ALA 27.A N LYS 2.A O no hydrogen 2.929 N/A VAL 28.A N HIS 51.A O no hydrogen 2.956 N/A ALA 29.A N ALA 4.A O no hydrogen 2.790 N/A ILE 30.A N VAL 53.A O no hydrogen 2.756 N/A ALA 31.A N VAL 6.A O no hydrogen 2.973 N/A ASP 32.A N VAL 55.A O no hydrogen 3.096 N/A ASN 34.A N ASP 32.A OD1 no hydrogen 2.875 N/A THR 37.A N ASN 34.A OD1 no hydrogen 3.253 N/A THR 37.A OG1 ASN 34.A O no hydrogen 3.196 N/A ALA 38.A N ASN 34.A O no hydrogen 3.107 N/A LYS 39.A N ASP 35.A O no hydrogen 2.975 N/A LYS 39.A NZ ASP 35.A OD2 no hydrogen 3.196 N/A ALA 40.A N ALA 36.A O no hydrogen 2.948 N/A VAL 41.A N THR 37.A O no hydrogen 2.919 N/A ALA 42.A N ALA 38.A O no hydrogen 2.996 N/A SER 43.A N LYS 39.A O no hydrogen 2.855 N/A GLU 44.A N ALA 40.A O no hydrogen 2.940 N/A ILE 45.A N VAL 41.A O no hydrogen 3.024 N/A ASN 46.A N ALA 42.A O no hydrogen 3.000 N/A ASN 46.A ND2 ALA 52.A O no hydrogen 2.887 N/A GLN 47.A N SER 43.A O no hydrogen 2.924 N/A ALA 48.A N ILE 45.A O no hydrogen 3.052 N/A GLY 49.A N ASN 46.A O no hydrogen 3.404 N/A GLY 50.A N ILE 45.A O no hydrogen 3.010 N/A ALA 52.A N ASN 46.A OD1 no hydrogen 2.869 N/A VAL 53.A N VAL 28.A O no hydrogen 3.198 N/A VAL 55.A N ILE 30.A O no hydrogen 2.839 N/A VAL 57.A N ASP 32.A O no hydrogen 2.996 N/A ASP 58.A N GLN 64.A OE1 no hydrogen 2.875 N/A SER 60.A N ASP 58.A OD2 no hydrogen 3.119 N/A SER 60.A OG ASP 58.A OD1 no hydrogen 3.275 N/A SER 60.A OG ASP 58.A OD2 no hydrogen 2.851 N/A ASP 61.A N ASP 58.A O no hydrogen 2.938 N/A ARG 62.A NE GLN 118.A OE1 no hydrogen 2.926 N/A GLN 64.A N ASP 61.A OD2 no hydrogen 3.127 N/A GLN 64.A NE2 ASP 61.A OD1 no hydrogen 3.562 N/A VAL 65.A N ASP 61.A O no hydrogen 3.010 N/A PHE 66.A N ARG 62.A O no hydrogen 3.054 N/A ALA 67.A N ASP 63.A O no hydrogen 2.939 N/A ALA 68.A N GLN 64.A O no hydrogen 2.847 N/A VAL 69.A N VAL 65.A O no hydrogen 3.046 N/A GLU 70.A N PHE 66.A O no hydrogen 2.982 N/A GLN 71.A N ALA 67.A O no hydrogen 2.902 N/A ALA 72.A N ALA 68.A O no hydrogen 2.979 N/A ARG 73.A N VAL 69.A O no hydrogen 2.850 N/A ARG 73.A NE GLU 70.A OE1 no hydrogen 3.229 N/A ARG 73.A NH1 GLU 127.A OE2 no hydrogen 2.858 N/A ARG 73.A NH2 GLU 70.A OE1 no hydrogen 3.381 N/A ARG 73.A NH2 GLU 70.A OE2 no hydrogen 3.075 N/A LYS 74.A N GLU 70.A O no hydrogen 3.011 N/A THR 75.A N GLN 71.A O no hydrogen 2.970 N/A THR 75.A OG1 GLN 71.A O no hydrogen 2.931 N/A LEU 76.A N ALA 72.A O no hydrogen 2.941 N/A GLY 77.A N ARG 73.A O no hydrogen 3.052 N/A ASP 80.A N VAL 3.A O no hydrogen 2.898 N/A VAL 81.A N VAL 3.A O no hydrogen 3.049 N/A ILE 82.A N LYS 132.A O no hydrogen 3.040 N/A VAL 83.A N LEU 5.A O no hydrogen 2.788 N/A ASN 84.A N ILE 134.A O no hydrogen 2.771 N/A ASN 84.A ND2 ASN 135.A OD1 no hydrogen 2.871 N/A ASN 85.A N THR 7.A OG1 no hydrogen 2.851 N/A ASN 85.A ND2 THR 7.A O no hydrogen 3.067 N/A ALA 86.A N THR 7.A OG1 no hydrogen 2.933 N/A ILE 88.A N ASN 109.A OD1 no hydrogen 2.924 N/A GLN 90.A NE2 ASP 101.A O no hydrogen 3.019 N/A LYS 92.A N ILE 147.A O no hydrogen 3.140 N/A LYS 92.A NZ ASP 101.A OD2 no hydrogen 2.847 N/A GLU 96.A N PRO 93.A O no hydrogen 2.886 N/A VAL 97.A N LEU 94.A O no hydrogen 3.305 N/A THR 98.A N ASP 101.A OD2 no hydrogen 3.033 N/A ASP 101.A N THR 98.A OG1 no hydrogen 3.012 N/A LEU 102.A N THR 98.A O no hydrogen 3.053 N/A LYS 103.A N GLU 99.A O no hydrogen 2.887 N/A LYS 103.A NZ GLU 99.A OE2 no hydrogen 3.483 N/A GLN 104.A N GLU 100.A O no hydrogen 3.064 N/A ILE 105.A N ASP 101.A O no hydrogen 3.036 N/A TYR 106.A N LEU 102.A O no hydrogen 2.980 N/A TYR 106.A OH THR 153.A OG1 no hydrogen 2.684 N/A SER 107.A N LYS 103.A O no hydrogen 3.158 N/A VAL 108.A N GLN 104.A O no hydrogen 3.087 N/A ASN 109.A N ILE 105.A O no hydrogen 2.844 N/A ASN 109.A ND2 ILE 88.A O no hydrogen 3.013 N/A ASN 109.A ND2 THR 154.A OG1 no hydrogen 3.169 N/A VAL 110.A N TYR 106.A O no hydrogen 2.959 N/A PHE 111.A N TYR 106.A O no hydrogen 2.962 N/A SER 112.A OG VAL 108.A O no hydrogen 2.536 N/A VAL 113.A N VAL 110.A O no hydrogen 2.911 N/A PHE 114.A N VAL 110.A O no hydrogen 3.318 N/A PHE 115.A N PHE 111.A O no hydrogen 2.950 N/A GLY 116.A N SER 112.A O no hydrogen 2.853 N/A ILE 117.A N VAL 113.A O no hydrogen 2.914 N/A GLN 118.A N PHE 114.A O no hydrogen 3.006 N/A ALA 119.A N PHE 115.A O no hydrogen 2.891 N/A ALA 120.A N GLY 116.A O no hydrogen 2.906 N/A VAL 121.A N ILE 117.A O no hydrogen 2.925 N/A GLU 122.A N GLN 118.A O no hydrogen 3.136 N/A ALA 123.A N ALA 119.A O no hydrogen 3.011 N/A PHE 124.A N ALA 120.A O no hydrogen 2.781 N/A LYS 125.A N VAL 121.A O no hydrogen 3.039 N/A LYS 126.A N GLU 122.A O no hydrogen 3.032 N/A LYS 126.A NZ GLU 122.A OE2 no hydrogen 3.455 N/A GLU 127.A N ALA 123.A O no hydrogen 2.972 N/A GLY 128.A N LYS 125.A O no hydrogen 3.062 N/A HIS 129.A N PHE 124.A O no hydrogen 3.125 N/A HIS 129.A ND1 GLY 130.A O no hydrogen 2.586 N/A GLY 131.A N GLY 173.A O no hydrogen 3.206 N/A LYS 132.A N ASP 80.A O no hydrogen 3.043 N/A LYS 132.A NZ SER 235.A O no hydrogen 3.000 N/A LYS 132.A NZ SER 238.A OG no hydrogen 3.108 N/A LYS 132.A NZ ASP 239.A OD1 no hydrogen 2.820 N/A ILE 133.A N THR 175.A O no hydrogen 2.924 N/A ILE 134.A N ILE 82.A O no hydrogen 2.912 N/A ASN 135.A N ASN 177.A O no hydrogen 2.849 N/A ASN 135.A ND2 THR 162.A OG1 no hydrogen 3.021 N/A ALA 136.A N ASN 84.A O no hydrogen 2.933 N/A ALA 137.A N TYR 179.A O no hydrogen 2.807 N/A ILE 139.A N PRO 181.A O no hydrogen 3.009 N/A ALA 140.A N SER 138.A OG no hydrogen 2.960 N/A ALA 141.A N SER 138.A O no hydrogen 2.902 N/A ILE 142.A N ILE 139.A O no hydrogen 2.931 N/A GLN 143.A N ILE 139.A O no hydrogen 3.107 N/A GLN 143.A NE2 ILE 142.A O no hydrogen 2.850 N/A PHE 145.A N SER 152.A OG no hydrogen 3.008 N/A LEU 148.A N PHE 145.A O no hydrogen 3.428 N/A SER 152.A N LEU 148.A O no hydrogen 2.885 N/A SER 152.A OG LEU 148.A O no hydrogen 2.830 N/A THR 153.A N SER 149.A O no hydrogen 2.931 N/A THR 153.A OG1 TYR 106.A OH no hydrogen 2.684 N/A THR 153.A OG1 SER 149.A O no hydrogen 3.291 N/A THR 153.A OG1 ALA 150.A O no hydrogen 2.754 N/A THR 154.A N ALA 150.A O no hydrogen 3.088 N/A THR 154.A OG1 TYR 151.A O no hydrogen 2.676 N/A LYS 155.A N TYR 151.A O no hydrogen 3.100 N/A LYS 155.A NZ ALA 136.A O no hydrogen 2.896 N/A LYS 155.A NZ ALA 137.A O no hydrogen 3.531 N/A PHE 156.A N SER 152.A O no hydrogen 2.970 N/A ALA 157.A N THR 153.A O no hydrogen 3.035 N/A VAL 158.A N THR 154.A O no hydrogen 3.004 N/A ARG 159.A N LYS 155.A O no hydrogen 2.919 N/A ARG 159.A NH2 ALA 141.A O no hydrogen 2.988 N/A GLY 160.A N PHE 156.A O no hydrogen 2.963 N/A LEU 161.A N ALA 157.A O no hydrogen 2.858 N/A THR 162.A N VAL 158.A O no hydrogen 2.934 N/A THR 162.A OG1 VAL 158.A O no hydrogen 2.906 N/A GLN 163.A N ARG 159.A O no hydrogen 3.229 N/A THR 164.A N GLY 160.A O no hydrogen 2.959 N/A THR 164.A OG1 GLY 160.A O no hydrogen 3.100 N/A ALA 165.A N LEU 161.A O no hydrogen 2.824 N/A ALA 166.A N THR 162.A O no hydrogen 3.067 N/A ARG 167.A N GLN 163.A O no hydrogen 3.152 N/A ASP 168.A N THR 164.A O no hydrogen 3.023 N/A LEU 169.A N ALA 165.A O no hydrogen 2.875 N/A ALA 170.A N ALA 166.A O no hydrogen 3.193 N/A LEU 172.A N LEU 169.A O no hydrogen 2.934 N/A GLY 173.A N ALA 170.A O no hydrogen 2.935 N/A ILE 174.A N LEU 169.A O no hydrogen 3.454 N/A THR 175.A N GLY 131.A O no hydrogen 3.061 N/A VAL 176.A N THR 242.A OG1 no hydrogen 3.071 N/A ASN 177.A N ILE 133.A O no hydrogen 3.039 N/A ASN 177.A ND2 MET 241.A O no hydrogen 2.915 N/A GLY 178.A N GLN 244.A O no hydrogen 2.717 N/A TYR 179.A N ASN 135.A O no hydrogen 2.912 N/A TYR 179.A OH ASN 85.A OD1 no hydrogen 2.677 N/A CYS 180.A N LEU 246.A O no hydrogen 2.793 N/A CYS 180.A SG SER 138.A O no hydrogen 3.560 N/A GLY 185.A N SER 221.A O no hydrogen 3.094 N/A THR 186.A N VAL 184.A O no hydrogen 2.790 N/A MET 188.A N THR 186.A OG1 no hydrogen 3.131 N/A GLU 190.A N THR 186.A O no hydrogen 3.040 N/A GLN 191.A N GLY 187.A O no hydrogen 3.021 N/A GLN 191.A NE2 ALA 89.A O no hydrogen 3.113 N/A GLN 191.A NE2 GLU 195.A OE1 no hydrogen 3.231 N/A ILE 192.A N MET 188.A O no hydrogen 2.895 N/A ASP 193.A N TRP 189.A O no hydrogen 2.861 N/A ALA 194.A N GLU 190.A O no hydrogen 3.139 N/A GLU 195.A N GLN 191.A O no hydrogen 2.905 N/A LEU 196.A N ILE 192.A O no hydrogen 2.853 N/A SER 197.A N ASP 193.A O no hydrogen 2.858 N/A SER 197.A OG LYS 202.A O no hydrogen 2.586 N/A LYS 198.A N ALA 194.A O no hydrogen 3.091 N/A ILE 199.A N GLU 195.A O no hydrogen 3.177 N/A ASN 200.A N LEU 196.A O no hydrogen 2.862 N/A ASN 200.A ND2 ASN 207.A OD1 no hydrogen 2.756 N/A GLY 201.A N SER 197.A O no hydrogen 2.800 N/A LYS 202.A N ASN 200.A OD1 no hydrogen 3.114 N/A LYS 202.A NZ GLU 210.A OE1 no hydrogen 2.473 N/A LYS 202.A NZ GLU 210.A OE2 no hydrogen 3.141 N/A GLY 205.A N ASP 193.A OD1 no hydrogen 2.814 N/A GLY 205.A N ASP 193.A OD2 no hydrogen 3.179 N/A GLU 206.A N PRO 203.A O no hydrogen 3.007 N/A ASN 207.A ND2 ASN 200.A OD1 no hydrogen 3.130 N/A PHE 208.A N ASP 193.A OD2 no hydrogen 2.940 N/A LYS 209.A N GLY 205.A O no hydrogen 3.106 N/A GLU 210.A N GLU 206.A O no hydrogen 3.003 N/A TYR 211.A N ASN 207.A O no hydrogen 2.985 N/A TYR 211.A OH PRO 146.A O no hydrogen 3.195 N/A SER 212.A N LYS 209.A O no hydrogen 3.051 N/A SER 212.A OG PHE 208.A O no hydrogen 2.609 N/A SER 213.A N GLU 210.A O no hydrogen 3.364 N/A SER 213.A OG GLU 210.A O no hydrogen 2.820 N/A ILE 215.A N SER 212.A O no hydrogen 3.346 N/A ALA 216.A N GLY 251.A O no hydrogen 3.001 N/A LEU 217.A N GLY 250.A O no hydrogen 2.922 N/A GLY 218.A N ILE 215.A O no hydrogen 2.983 N/A SER 221.A N ILE 183.A O no hydrogen 2.782 N/A SER 221.A OG VAL 222.A O no hydrogen 3.355 N/A SER 221.A OG ASP 225.A OD2 no hydrogen 2.809 N/A VAL 222.A N ASP 225.A OD2 no hydrogen 2.953 N/A GLU 224.A N GLU 224.A OE1.B no hydrogen 2.749 N/A ASP 225.A N VAL 222.A O no hydrogen 2.900 N/A ALA 227.A N PRO 223.A O no hydrogen 3.073 N/A GLY 228.A N GLU 224.A O no hydrogen 3.160 N/A VAL 230.A N VAL 226.A O no hydrogen 3.000 N/A SER 231.A N ALA 227.A O no hydrogen 2.830 N/A SER 231.A OG ASP 24.A OD2 no hydrogen 2.506 N/A PHE 232.A N GLY 228.A O no hydrogen 3.340 N/A LEU 233.A N LEU 229.A O no hydrogen 3.008 N/A ALA 234.A N VAL 230.A O no hydrogen 2.829 N/A ALA 234.A N SER 231.A O no hydrogen 3.180 N/A SER 235.A N PHE 232.A O no hydrogen 3.086 N/A SER 235.A OG PHE 232.A O no hydrogen 2.766 N/A ASP 237.A N SER 235.A OG no hydrogen 3.220 N/A SER 238.A N SER 235.A O no hydrogen 3.194 N/A SER 238.A OG PHE 232.A O no hydrogen 2.957 N/A SER 238.A OG LEU 233.A O no hydrogen 3.138 N/A SER 238.A OG SER 235.A O no hydrogen 2.966 N/A ASP 239.A N PRO 236.A O no hydrogen 3.051 N/A MET 241.A N SER 238.A O no hydrogen 2.973 N/A GLY 243.A N VAL 176.A O no hydrogen 2.714 N/A GLN 244.A N ASN 177.A OD1 no hydrogen 2.983 N/A GLN 244.A NE2 THR 242.A O no hydrogen 3.035 N/A LEU 246.A N GLY 178.A O no hydrogen 2.928 N/A ILE 248.A N CYS 180.A O no hydrogen 3.108 N/A GLY 251.A N ASP 249.A OD2 no hydrogen 2.911 N/A MET 252.A N ASP 249.A OD1 no hydrogen 2.983 N/A VAL 253.A N ASP 249.A OD1 no hydrogen 2.961 N/A