Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2w80_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N GLY 1.A O no hydrogen 3.035 N/A ALA 5.A N LEU 2.A O no hydrogen 2.787 N/A LEU 6.A N LEU 2.A O no hydrogen 3.204 N/A THR 7.A N ALA 3.A O no hydrogen 3.245 N/A THR 7.A OG1 ALA 3.A O no hydrogen 2.911 N/A ALA 8.A N ASP 4.A O no hydrogen 2.907 N/A LYS 13.A N ASP 11.A OD1 no hydrogen 3.083 N/A ASP 14.A N ASP 11.A O no hydrogen 3.433 N/A LEU 17.A N GLN 87.A O no hydrogen 2.710 N/A GLN 18.A NE2 HIS 12.A O no hydrogen 3.084 N/A GLN 18.A NE2 ASP 14.A O no hydrogen 2.647 N/A SER 19.A OG SER 48.A OG no hydrogen 3.232 N/A LEU 20.A N LEU 49.A O no hydrogen 3.021 N/A LEU 22.A N ASP 47.A O no hydrogen 2.951 N/A ASP 23.A N ASP 119.A OD1 no hydrogen 3.440 N/A ASP 23.A N ASP 119.A OD2 no hydrogen 2.871 N/A GLN 24.A N ASP 119.A OD1 no hydrogen 2.625 N/A GLN 24.A NE2 GLY 118.A O no hydrogen 3.239 N/A SER 25.A OG THR 93.A OG1 no hydrogen 2.913 N/A SER 25.A OG ASP 119.A OD2 no hydrogen 2.687 N/A ARG 27.A N GLU 30.A OE2 no hydrogen 2.780 N/A ARG 27.A NE GLU 30.A OE1 no hydrogen 3.183 N/A ARG 27.A NE GLU 30.A OE2 no hydrogen 3.441 N/A ARG 27.A NH2 GLU 30.A OE1 no hydrogen 2.941 N/A GLU 30.A N ARG 27.A O no hydrogen 3.172 N/A LYS 31.A N GLN 67.A O no hydrogen 2.827 N/A LEU 32.A N TYR 43.A O no hydrogen 2.384 N/A LYS 33.A N ILE 65.A O no hydrogen 2.786 N/A LEU 34.A N LYS 41.A O no hydrogen 2.903 N/A ALA 35.A N ASP 63.A O no hydrogen 2.885 N/A ALA 36.A N ALA 39.A O no hydrogen 3.355 N/A ALA 39.A N ALA 36.A O no hydrogen 3.025 N/A LYS 41.A N LEU 34.A O no hydrogen 3.138 N/A TYR 43.A N LEU 32.A O no hydrogen 2.797 N/A ASN 45.A ND2 ASP 23.A O no hydrogen 3.490 N/A ASN 45.A ND2 ASP 23.A OD1 no hydrogen 3.519 N/A ASN 45.A ND2 VAL 26.A O no hydrogen 2.961 N/A GLY 46.A N LEU 22.A O no hydrogen 2.621 N/A SER 48.A OG SER 19.A OG no hydrogen 3.232 N/A LEU 49.A N LEU 20.A O no hydrogen 2.733 N/A ASN 50.A ND2 GLN 18.A O no hydrogen 3.347 N/A THR 51.A N GLN 18.A O no hydrogen 2.984 N/A THR 51.A OG1 LEU 17.A O no hydrogen 3.035 N/A GLY 52.A N GLN 18.A O no hydrogen 3.134 N/A LYS 53.A NZ ASP 14.A OD1 no hydrogen 3.253 N/A LEU 54.A N THR 51.A O no hydrogen 2.917 N/A ASN 56.A ND2 GLY 16.A O no hydrogen 3.140 N/A ASP 57.A N LYS 86.A O no hydrogen 2.600 N/A SER 60.A N VAL 84.A O no hydrogen 2.721 N/A PHE 62.A N PHE 82.A O no hydrogen 2.925 N/A ASP 63.A N ALA 35.A O no hydrogen 2.854 N/A PHE 64.A N GLY 80.A O no hydrogen 2.831 N/A ILE 65.A N LYS 33.A O no hydrogen 2.953 N/A ARG 66.A N GLU 78.A O no hydrogen 2.681 N/A ARG 66.A NE GLU 78.A OE1 no hydrogen 3.044 N/A ARG 66.A NH1 SER 25.A O no hydrogen 2.951 N/A ARG 66.A NH1 GLU 30.A OE2 no hydrogen 2.717 N/A ARG 66.A NH2 SER 25.A O no hydrogen 3.492 N/A GLN 67.A N LYS 31.A O no hydrogen 2.926 N/A GLN 67.A NE2 THR 76.A OG1 no hydrogen 2.631 N/A ILE 68.A N ILE 75.A O no hydrogen 2.784 N/A VAL 70.A N GLN 73.A O no hydrogen 2.340 N/A GLN 73.A N VAL 70.A O no hydrogen 2.957 N/A ILE 75.A N ILE 68.A O no hydrogen 2.369 N/A LEU 77.A N ARG 66.A O no hydrogen 2.760 N/A GLU 78.A N ARG 66.A O no hydrogen 3.365 N/A SER 79.A N GLN 99.A O no hydrogen 2.907 N/A GLY 80.A N PHE 64.A O no hydrogen 3.167 N/A GLU 81.A N GLN 96.A O no hydrogen 2.852 N/A PHE 82.A N PHE 62.A O no hydrogen 2.918 N/A GLN 83.A N ALA 94.A O no hydrogen 2.792 N/A VAL 84.A N SER 60.A O no hydrogen 2.894 N/A TYR 85.A N LEU 92.A O no hydrogen 2.930 N/A TYR 85.A OH THR 141.A OG1 no hydrogen 3.056 N/A LYS 86.A NZ LYS 15.A O no hydrogen 2.762 N/A LYS 86.A NZ THR 51.A O no hydrogen 3.072 N/A LYS 86.A NZ GLY 52.A O no hydrogen 3.015 N/A LYS 86.A NZ LEU 54.A O no hydrogen 2.605 N/A LYS 86.A NZ ASN 56.A OD1 no hydrogen 3.114 N/A GLN 87.A N SER 90.A O no hydrogen 2.910 N/A SER 88.A N GLU 219.A OE2 no hydrogen 3.059 N/A HIS 89.A N GLU 219.A OE1 no hydrogen 2.803 N/A SER 90.A OG GLU 219.A OE1 no hydrogen 3.129 N/A ALA 91.A N ALA 121.A O no hydrogen 3.009 N/A LEU 92.A N TYR 85.A O no hydrogen 2.973 N/A THR 93.A N ASP 119.A O no hydrogen 2.873 N/A THR 93.A OG1 SER 25.A OG no hydrogen 2.913 N/A ALA 94.A N GLN 83.A O no hydrogen 2.777 N/A PHE 95.A N ARG 116.A O no hydrogen 2.900 N/A GLN 96.A N GLU 81.A O no hydrogen 2.762 N/A GLN 96.A NE2 SER 145.A OG no hydrogen 2.478 N/A THR 97.A N GLN 114.A O no hydrogen 2.677 N/A THR 97.A OG1 GLU 78.A OE2 no hydrogen 2.294 N/A THR 97.A OG1 GLN 114.A O no hydrogen 3.464 N/A GLU 98.A N SER 79.A O no hydrogen 3.000 N/A GLN 99.A N SER 79.A O no hydrogen 3.131 N/A ILE 100.A N VAL 110.A O no hydrogen 2.811 N/A GLN 101.A N LEU 77.A O no hydrogen 3.153 N/A ASP 102.A N LYS 108.A O no hydrogen 2.635 N/A GLU 104.A N ASP 102.A OD2 no hydrogen 3.010 N/A HIS 105.A N ASP 102.A OD2 no hydrogen 3.088 N/A SER 106.A OG SER 106.A O no hydrogen 2.368 N/A LYS 108.A N HIS 105.A O no hydrogen 3.376 N/A VAL 110.A N ILE 100.A O no hydrogen 2.664 N/A LYS 112.A N GLU 98.A O no hydrogen 3.038 N/A LYS 112.A NZ GLN 114.A OE1 no hydrogen 2.975 N/A ARG 113.A NE GLU 98.A OE1 no hydrogen 2.829 N/A ARG 113.A NE GLU 98.A OE2 no hydrogen 3.247 N/A ARG 113.A NH1 ASP 146.A OD2 no hydrogen 2.991 N/A ARG 113.A NH2 GLU 98.A OE2 no hydrogen 2.662 N/A ARG 113.A NH2 ASP 146.A OD1 no hydrogen 3.110 N/A GLN 114.A N THR 97.A O no hydrogen 3.287 N/A ARG 116.A N PHE 95.A O no hydrogen 3.166 N/A ARG 116.A NH1 GLN 24.A O no hydrogen 3.150 N/A ILE 117.A N HIS 234.A ND1 no hydrogen 3.268 N/A GLY 118.A N THR 93.A O no hydrogen 2.663 N/A ASP 119.A N THR 93.A OG1 no hydrogen 2.752 N/A ALA 121.A N ALA 91.A O no hydrogen 2.896 N/A GLU 123.A N HIS 89.A O no hydrogen 2.784 N/A THR 125.A N ILE 212.A O no hydrogen 2.707 N/A THR 125.A OG1 GLY 214.A O no hydrogen 2.546 N/A PHE 127.A N ARG 190.A O no hydrogen 2.954 N/A LYS 129.A N SER 126.A O no hydrogen 3.214 N/A ARG 135.A NE ASP 157.A OD2 no hydrogen 3.202 N/A ALA 136.A N ILE 156.A O no hydrogen 2.905 N/A TYR 138.A N TYR 154.A O no hydrogen 2.607 N/A TYR 138.A OH ALA 217.A O no hydrogen 2.689 N/A ARG 139.A N LYS 240.A O no hydrogen 3.010 N/A GLY 140.A N LEU 152.A O no hydrogen 2.902 N/A THR 141.A N ALA 238.A O no hydrogen 2.749 N/A THR 141.A OG1 TYR 85.A OH no hydrogen 3.056 N/A ALA 142.A N GLY 150.A O no hydrogen 3.027 N/A PHE 143.A N GLY 236.A O no hydrogen 3.012 N/A GLY 144.A N ASP 147.A O no hydrogen 2.759 N/A ASP 147.A N GLY 144.A O no hydrogen 2.924 N/A GLY 149.A N ASP 147.A OD1 no hydrogen 3.200 N/A LYS 151.A N GLU 168.A O no hydrogen 2.586 N/A LEU 152.A N GLY 140.A O no hydrogen 2.888 N/A THR 153.A N LYS 166.A O no hydrogen 2.995 N/A TYR 154.A N TYR 138.A O no hydrogen 3.023 N/A TYR 154.A OH TYR 208.A OH no hydrogen 2.726 N/A THR 155.A N ASN 164.A O no hydrogen 2.821 N/A ILE 156.A N ALA 136.A O no hydrogen 2.938 N/A ASP 157.A N GLN 162.A O no hydrogen 2.888 N/A PHE 158.A N GLY 134.A O no hydrogen 2.961 N/A ALA 159.A N ASP 157.A OD1 no hydrogen 2.790 N/A ALA 160.A N ASP 157.A OD1 no hydrogen 3.042 N/A GLN 162.A N ASP 157.A O no hydrogen 3.158 N/A GLY 163.A N ALA 182.A O no hydrogen 2.893 N/A ASN 164.A N THR 155.A O no hydrogen 3.095 N/A GLY 165.A N LEU 179.A O no hydrogen 2.958 N/A LYS 166.A N THR 153.A O no hydrogen 2.656 N/A LYS 166.A NZ ASP 178.A OD1 no hydrogen 2.997 N/A ILE 167.A N VAL 177.A O no hydrogen 2.926 N/A GLU 168.A N LYS 151.A O no hydrogen 2.869 N/A LEU 170.A N ASN 176.A OD1 no hydrogen 3.022 N/A LYS 171.A N ASP 147.A OD2 no hydrogen 2.613 N/A LEU 175.A N SER 172.A O no hydrogen 2.935 N/A ASN 176.A N PRO 173.A O no hydrogen 3.333 N/A ASN 176.A ND2 LEU 170.A O no hydrogen 2.927 N/A ASP 178.A N LEU 199.A O no hydrogen 2.727 N/A LEU 179.A N GLY 165.A O no hydrogen 2.853 N/A ALA 180.A N SER 197.A O no hydrogen 3.078 N/A ALA 182.A N GLY 163.A O no hydrogen 2.865 N/A ILE 184.A N LYS 161.A O no hydrogen 3.026 N/A LYS 185.A N VAL 193.A O no hydrogen 2.850 N/A ARG 190.A NE ASP 128.A OD1 no hydrogen 3.381 N/A ARG 190.A NE ASP 128.A OD2 no hydrogen 2.599 N/A ARG 190.A NH2 ASP 128.A OD1 no hydrogen 3.122 N/A ALA 192.A N THR 125.A O no hydrogen 2.827 N/A VAL 193.A N LYS 185.A O no hydrogen 3.075 N/A ILE 194.A N LEU 210.A O no hydrogen 2.841 N/A SER 195.A OG SER 209.A OG no hydrogen 2.543 N/A GLY 196.A N TYR 208.A O no hydrogen 3.001 N/A VAL 198.A N GLY 206.A O no hydrogen 2.921 N/A LEU 199.A N ASP 178.A O no hydrogen 2.840 N/A TYR 200.A N ALA 203.A O no hydrogen 2.836 N/A ALA 203.A N TYR 200.A O no hydrogen 3.221 N/A LYS 205.A N VAL 198.A O no hydrogen 2.817 N/A SER 207.A N GLU 225.A O no hydrogen 3.271 N/A TYR 208.A N GLY 196.A O no hydrogen 2.851 N/A TYR 208.A OH TYR 154.A OH no hydrogen 2.726 N/A TYR 208.A OH ALA 180.A O no hydrogen 2.683 N/A SER 209.A N SER 223.A O no hydrogen 2.960 N/A SER 209.A OG SER 195.A OG no hydrogen 2.543 N/A LEU 210.A N ILE 194.A O no hydrogen 2.695 N/A GLY 211.A N ALA 221.A O no hydrogen 2.652 N/A ILE 212.A N ALA 192.A O no hydrogen 3.220 N/A PHE 213.A N GLU 219.A O no hydrogen 2.725 N/A GLY 214.A N GLU 123.A O no hydrogen 2.867 N/A LYS 216.A N GLN 218.A OE1 no hydrogen 2.930 N/A ALA 217.A N GLY 214.A O no hydrogen 3.340 N/A GLN 218.A N GLN 218.A OE1 no hydrogen 2.837 N/A GLU 219.A N PHE 213.A O no hydrogen 2.958 N/A VAL 220.A N ALA 239.A O no hydrogen 2.889 N/A ALA 221.A N GLY 211.A O no hydrogen 3.119 N/A GLY 222.A N LEU 237.A O no hydrogen 2.818 N/A SER 223.A N SER 209.A O no hydrogen 2.850 N/A ALA 224.A N ILE 235.A O no hydrogen 2.810 N/A GLU 225.A N SER 207.A O no hydrogen 2.943 N/A VAL 226.A N ARG 233.A O no hydrogen 2.754 N/A LYS 227.A N LYS 205.A O no hydrogen 2.599 N/A THR 228.A N GLY 231.A O no hydrogen 2.654 N/A THR 228.A OG1 GLY 231.A O no hydrogen 2.462 N/A VAL 229.A N GLU 174.A OE1 no hydrogen 3.155 N/A ASN 230.A N THR 228.A OG1 no hydrogen 2.953 N/A ARG 233.A N VAL 226.A O no hydrogen 2.731 N/A ARG 233.A NH1 ILE 232.A O no hydrogen 2.900 N/A ARG 233.A NH2 ASN 230.A O no hydrogen 2.658 N/A ILE 235.A N ALA 224.A O no hydrogen 2.660 N/A GLY 236.A N PHE 143.A O no hydrogen 2.809 N/A LEU 237.A N GLY 222.A O no hydrogen 2.902 N/A ALA 238.A N THR 141.A O no hydrogen 3.058 N/A ALA 239.A N VAL 220.A O no hydrogen 2.897 N/A LYS 240.A N ARG 139.A O no hydrogen 3.120 N/A LYS 240.A NZ ASP 57.A OD2 no hydrogen 2.545 N/A GLN 241.A N GLN 218.A O no hydrogen 2.783 N/A