Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2r79_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N ASP 61.A OD2 no hydrogen 3.391 N/A GLN 3.A NE2 LEU 1.A O no hydrogen 2.861 N/A ARG 4.A N ASP 61.A OD2 no hydrogen 3.044 N/A TRP 5.A N LYS 24.A O no hydrogen 2.656 N/A TRP 5.A NE1 PRO 2.A O no hydrogen 3.072 N/A VAL 6.A N ILE 62.A O no hydrogen 3.128 N/A SER 7.A N GLY 27.A O no hydrogen 2.926 N/A SER 7.A OG SER 13.A OG no hydrogen 2.896 N/A ALA 8.A N ILE 64.A O no hydrogen 3.015 N/A GLY 9.A N ASP 29.A OD1 no hydrogen 2.688 N/A GLY 10.A N THR 31.A OG1 no hydrogen 3.010 N/A SER 11.A N VAL 241.A O no hydrogen 3.151 N/A SER 11.A OG VAL 241.A O no hydrogen 2.949 N/A SER 11.A OG GLY 243.A O no hydrogen 2.842 N/A SER 13.A N GLY 9.A O no hydrogen 3.252 N/A SER 13.A OG SER 7.A OG no hydrogen 2.896 N/A SER 13.A OG SER 32.A OG no hydrogen 2.786 N/A GLU 14.A N GLY 10.A O no hydrogen 3.098 N/A TRP 15.A N SER 11.A O no hydrogen 3.071 N/A TRP 15.A NE1 LEU 244.A O no hydrogen 2.859 N/A VAL 16.A N LEU 12.A O no hydrogen 3.006 N/A VAL 17.A N SER 13.A O no hydrogen 3.093 N/A ALA 18.A N GLU 14.A O no hydrogen 2.769 N/A LEU 19.A N TRP 15.A O no hydrogen 2.837 N/A GLY 20.A N VAL 17.A O no hydrogen 2.816 N/A GLY 21.A N VAL 16.A O no hydrogen 2.707 N/A LYS 24.A N GLY 21.A O no hydrogen 3.083 N/A LEU 25.A N GLU 22.A O no hydrogen 3.177 N/A VAL 26.A N TRP 5.A O no hydrogen 2.697 N/A VAL 28.A N PRO 42.A O no hydrogen 3.284 N/A ASP 29.A N SER 7.A O no hydrogen 3.033 N/A THR 30.A N GLY 45.A O no hydrogen 2.924 N/A THR 31.A N ASP 29.A OD2 no hydrogen 2.966 N/A THR 31.A OG1 ASP 29.A OD1 no hydrogen 3.319 N/A THR 31.A OG1 ASP 29.A OD2 no hydrogen 2.500 N/A SER 32.A N ASP 29.A O no hydrogen 3.115 N/A SER 32.A OG SER 13.A OG no hydrogen 2.786 N/A SER 32.A OG ASP 29.A OD1 no hydrogen 2.924 N/A GLN 33.A NE2 THR 30.A O no hydrogen 2.987 N/A LEU 38.A N PRO 35.A O no hydrogen 2.935 N/A LYS 39.A N GLN 36.A O no hydrogen 3.023 N/A GLN 40.A N ALA 37.A O no hydrogen 2.910 N/A LEU 41.A N LEU 38.A O no hydrogen 3.342 N/A VAL 44.A N VAL 28.A O no hydrogen 3.115 N/A GLY 45.A N SER 43.A OG no hydrogen 3.163 N/A GLN 47.A NE2 GLU 68.A OE2 no hydrogen 2.994 N/A ARG 48.A NE TYR 46.A OH no hydrogen 2.897 N/A GLN 49.A N TYR 46.A O no hydrogen 2.981 N/A LEU 50.A N GLY 70.A O no hydrogen 2.847 N/A ALA 51.A N VAL 44.A O no hydrogen 3.287 N/A VAL 55.A N ALA 51.A O no hydrogen 3.108 N/A VAL 55.A N ALA 52.A O no hydrogen 3.039 N/A LEU 56.A N ALA 52.A O no hydrogen 3.120 N/A ALA 57.A N GLU 53.A O no hydrogen 3.185 N/A LEU 58.A N VAL 55.A O no hydrogen 2.972 N/A ARG 59.A N LEU 56.A O no hydrogen 2.964 N/A ASP 61.A N ARG 4.A O no hydrogen 2.813 N/A ILE 62.A N ARG 4.A O no hydrogen 3.271 N/A LEU 63.A N ARG 84.A O no hydrogen 2.711 N/A ILE 64.A N VAL 6.A O no hydrogen 3.174 N/A GLY 65.A N GLU 86.A O no hydrogen 3.200 N/A GLU 68.A N THR 66.A OG1 no hydrogen 3.297 N/A MET 69.A N THR 66.A O no hydrogen 3.165 N/A GLY 70.A N GLN 47.A O no hydrogen 2.965 N/A LEU 75.A N PRO 71.A O no hydrogen 3.309 N/A LYS 76.A N PRO 72.A O no hydrogen 2.977 N/A GLN 77.A N PRO 73.A O no hydrogen 2.998 N/A LEU 78.A N VAL 74.A O no hydrogen 3.088 N/A GLU 79.A N LEU 75.A O no hydrogen 2.999 N/A GLY 80.A N LYS 76.A O no hydrogen 2.895 N/A ALA 81.A N LEU 78.A O no hydrogen 2.960 N/A GLY 82.A N GLU 79.A O no hydrogen 2.978 N/A VAL 83.A N LEU 78.A O no hydrogen 3.208 N/A ARG 84.A NE GLU 86.A OE2 no hydrogen 3.143 N/A GLU 86.A N LEU 63.A O no hydrogen 2.724 N/A LEU 88.A N GLY 65.A O no hydrogen 2.681 N/A SER 89.A N ASN 100.A OD1 no hydrogen 2.913 N/A ALA 90.A N GLU 67.A OE1 no hydrogen 2.758 N/A LYS 91.A N SER 89.A OG no hydrogen 3.194 N/A ASP 93.A N LYS 91.A O no hydrogen 2.939 N/A ALA 96.A N ASP 93.A OD2 no hydrogen 3.146 N/A LEU 97.A N ASP 93.A O no hydrogen 3.118 N/A GLU 98.A N LEU 94.A O no hydrogen 2.789 N/A SER 99.A N GLU 95.A O no hydrogen 3.125 N/A SER 99.A N ALA 96.A O no hydrogen 3.052 N/A ASN 100.A N ALA 96.A O no hydrogen 2.819 N/A ASN 100.A ND2 SER 89.A O no hydrogen 2.684 N/A LEU 101.A N LEU 97.A O no hydrogen 2.812 N/A LYS 102.A N GLU 98.A O no hydrogen 3.265 N/A LYS 103.A N SER 99.A O no hydrogen 3.244 N/A LEU 104.A N ASN 100.A O no hydrogen 2.925 N/A GLY 105.A N LEU 101.A O no hydrogen 2.824 N/A ASP 106.A N LYS 102.A O no hydrogen 3.170 N/A TRP 107.A N LYS 103.A O no hydrogen 2.918 N/A LEU 108.A N LEU 104.A O no hydrogen 2.976 N/A GLY 109.A N ASP 106.A O no hydrogen 3.138 N/A VAL 110.A N GLY 105.A O no hydrogen 2.888 N/A ARG 113.A NH1 ARG 113.A O no hydrogen 3.508 N/A ALA 114.A N VAL 110.A O no hydrogen 3.109 N/A GLU 115.A N PRO 111.A O no hydrogen 3.119 N/A ALA 116.A N GLN 112.A O no hydrogen 2.944 N/A ALA 117.A N ARG 113.A O no hydrogen 2.902 N/A GLU 118.A N ALA 114.A O no hydrogen 3.033 N/A LEU 119.A N GLU 115.A O no hydrogen 2.947 N/A ASP 120.A N ALA 116.A O no hydrogen 2.881 N/A TYR 121.A N ALA 117.A O no hydrogen 3.012 N/A TYR 121.A OH GLY 245.A O no hydrogen 2.861 N/A ARG 122.A N GLU 118.A O no hydrogen 3.093 N/A GLN 123.A N LEU 119.A O no hydrogen 3.086 N/A ARG 124.A N ASP 120.A O no hydrogen 2.952 N/A ARG 124.A NH2 ASP 250.A OD1 no hydrogen 3.163 N/A LEU 125.A N TYR 121.A O no hydrogen 2.988 N/A ARG 126.A N ARG 122.A O no hydrogen 2.837 N/A ARG 127.A N GLN 123.A O no hydrogen 3.053 N/A GLN 128.A N ARG 124.A O no hydrogen 2.957 N/A ALA 129.A N LEU 125.A O no hydrogen 2.986 N/A ASP 130.A N ARG 126.A O no hydrogen 3.079 N/A TRP 131.A N ARG 127.A O no hydrogen 3.090 N/A TRP 131.A NE1 LYS 264.A O no hydrogen 2.806 N/A ILE 132.A N GLN 128.A O no hydrogen 3.065 N/A ALA 133.A N ALA 129.A O no hydrogen 2.995 N/A ALA 134.A N ASP 130.A O no hydrogen 3.149 N/A ALA 135.A N TRP 131.A O no hydrogen 2.946 N/A GLN 136.A N ILE 132.A O no hydrogen 2.868 N/A GLN 136.A NE2 TYR 260.A OH no hydrogen 2.962 N/A LYS 137.A N ALA 134.A O no hydrogen 3.294 N/A SER 138.A N ALA 135.A O no hydrogen 3.435 N/A GLN 139.A NE2 PRO 140.A O no hydrogen 3.652 N/A GLN 139.A NE2 PHE 259.A O no hydrogen 2.803 N/A VAL 144.A N ARG 174.A O no hydrogen 2.791 N/A LEU 145.A N ALA 197.A O no hydrogen 3.403 N/A VAL 147.A N VAL 199.A O no hydrogen 2.763 N/A ILE 148.A N LEU 156.A O no hydrogen 2.719 N/A GLY 149.A N ALA 201.A O no hydrogen 2.773 N/A ASN 150.A N GLY 153.A O no hydrogen 2.971 N/A ALA 151.A N ASP 202.A OD1 no hydrogen 2.914 N/A GLY 152.A N ASP 202.A OD2 no hydrogen 2.730 N/A GLY 153.A N ASN 150.A O no hydrogen 2.965 N/A LEU 156.A N ILE 148.A O no hydrogen 2.938 N/A VAL 157.A N LYS 183.A O no hydrogen 2.829 N/A ALA 158.A N LEU 146.A O no hydrogen 2.964 N/A GLY 159.A N GLY 181.A O no hydrogen 2.756 N/A ARG 160.A N HIS 179.A O no hydrogen 2.774 N/A ASN 161.A ND2 GLU 180.A OE2 no hydrogen 2.437 N/A THR 162.A OG1 GLY 159.A O no hydrogen 2.730 N/A GLY 164.A N TYR 182.A OH no hydrogen 3.178 N/A ASP 165.A N THR 162.A OG1 no hydrogen 3.100 N/A TRP 166.A N THR 162.A O no hydrogen 3.042 N/A VAL 167.A N GLY 163.A O no hydrogen 2.918 N/A LEU 168.A N GLY 164.A O no hydrogen 2.982 N/A ASN 169.A N ASP 165.A O no hydrogen 2.927 N/A ASN 169.A ND2 ASP 165.A OD1 no hydrogen 3.185 N/A ARG 170.A N TRP 166.A O no hydrogen 2.875 N/A ALA 171.A N VAL 167.A O no hydrogen 3.080 N/A ALA 171.A N LEU 168.A O no hydrogen 3.286 N/A GLY 172.A N ASN 169.A O no hydrogen 2.982 N/A ALA 173.A N LEU 168.A O no hydrogen 2.938 N/A ARG 174.A N PRO 142.A O no hydrogen 2.826 N/A ASN 175.A ND2 VAL 144.A O no hydrogen 3.557 N/A LEU 176.A N VAL 144.A O no hydrogen 3.012 N/A HIS 179.A NE2 VAL 157.A O no hydrogen 2.955 N/A GLY 181.A N ARG 160.A O no hydrogen 3.027 N/A LYS 183.A N VAL 157.A O no hydrogen 3.148 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.432 N/A LEU 190.A N SER 186.A O no hydrogen 3.170 N/A ALA 191.A N VAL 187.A O no hydrogen 2.728 N/A ALA 192.A N GLU 188.A O no hydrogen 3.126 N/A LEU 193.A N ALA 189.A O no hydrogen 2.985 N/A ASP 194.A N ALA 191.A O no hydrogen 2.968 N/A VAL 196.A N GLY 143.A O no hydrogen 3.050 N/A VAL 198.A N ARG 231.A O no hydrogen 3.036 N/A VAL 199.A N LEU 145.A O no hydrogen 2.775 N/A ILE 200.A N LEU 233.A O no hydrogen 2.681 N/A ALA 201.A N VAL 147.A O no hydrogen 2.896 N/A ARG 203.A N GLY 149.A O no hydrogen 2.974 N/A SER 204.A N ASP 202.A OD1 no hydrogen 2.787 N/A LEU 205.A N ASP 202.A OD1 no hydrogen 2.866 N/A ALA 210.A N GLU 206.A O no hydrogen 3.029 N/A ARG 211.A N GLY 207.A O no hydrogen 3.127 N/A ARG 211.A NE LEU 232.A O no hydrogen 2.767 N/A ARG 211.A NH2 LEU 232.A O no hydrogen 3.078 N/A ALA 212.A N ASP 208.A O no hydrogen 2.790 N/A ALA 213.A N ALA 209.A O no hydrogen 2.945 N/A LEU 214.A N ALA 210.A O no hydrogen 2.988 N/A LEU 215.A N ARG 211.A O no hydrogen 3.019 N/A LYS 216.A N ALA 212.A O no hydrogen 2.920 N/A GLN 217.A N ALA 213.A O no hydrogen 3.075 N/A ASN 218.A ND2 GLY 152.A O no hydrogen 3.216 N/A ASN 218.A ND2 LEU 214.A O no hydrogen 2.870 N/A LEU 221.A N ASN 218.A O no hydrogen 2.927 N/A ALA 222.A N PRO 219.A O no hydrogen 3.074 N/A THR 224.A N LEU 221.A O no hydrogen 3.076 N/A THR 224.A OG1 LEU 221.A O no hydrogen 2.735 N/A ARG 225.A N ASP 194.A OD2 no hydrogen 2.955 N/A ARG 225.A NE ASP 194.A O no hydrogen 3.324 N/A ARG 225.A NH2 ASP 194.A O no hydrogen 2.858 N/A ALA 226.A N PRO 195.A O no hydrogen 3.037 N/A ALA 227.A N THR 224.A OG1 no hydrogen 3.164 N/A ARG 228.A N THR 224.A O no hydrogen 3.036 N/A ARG 228.A NH1 ASP 229.A OD1 no hydrogen 2.949 N/A ASP 229.A N ARG 225.A O no hydrogen 2.798 N/A GLY 230.A N ALA 227.A O no hydrogen 3.269 N/A ARG 231.A N ALA 226.A O no hydrogen 2.700 N/A LEU 232.A N ASP 274.A OD2 no hydrogen 3.306 N/A LEU 233.A N VAL 198.A O no hydrogen 2.832 N/A VAL 234.A N GLY 272.A O no hydrogen 3.054 N/A LEU 235.A N ILE 200.A O no hydrogen 2.746 N/A ASP 236.A N LEU 270.A O no hydrogen 3.093 N/A THR 238.A N ASP 236.A OD1 no hydrogen 3.139 N/A THR 238.A OG1 ASP 236.A OD1 no hydrogen 2.784 N/A LEU 239.A N ASP 236.A O no hydrogen 3.075 N/A LEU 240.A N PRO 237.A O no hydrogen 2.975 N/A VAL 241.A N THR 238.A O no hydrogen 3.358 N/A GLY 242.A N GLU 68.A OE2 no hydrogen 3.175 N/A ARG 247.A NE GLU 14.A OE1 no hydrogen 2.695 N/A ARG 247.A NE GLU 14.A OE2 no hydrogen 3.224 N/A ARG 247.A NH1 ASP 236.A OD2 no hydrogen 2.898 N/A ARG 247.A NH2 GLU 14.A OE2 no hydrogen 3.220 N/A ARG 247.A NH2 THR 238.A OG1 no hydrogen 2.916 N/A LEU 248.A N GLY 245.A O no hydrogen 3.246 N/A GLY 251.A N ARG 247.A O no hydrogen 3.016 N/A LEU 252.A N LEU 248.A O no hydrogen 2.649 N/A ALA 253.A N PRO 249.A O no hydrogen 3.143 N/A ALA 254.A N ASP 250.A O no hydrogen 3.284 N/A LEU 255.A N GLY 251.A O no hydrogen 3.050 N/A SER 256.A N LEU 252.A O no hydrogen 2.851 N/A SER 256.A OG GLN 128.A OE1 no hydrogen 3.014 N/A SER 256.A OG LEU 252.A O no hydrogen 2.910 N/A SER 256.A OG ALA 253.A O no hydrogen 3.302 N/A ALA 257.A N ALA 253.A O no hydrogen 3.209 N/A ALA 258.A N ALA 254.A O no hydrogen 3.123 N/A PHE 259.A N LEU 255.A O no hydrogen 2.805 N/A TYR 260.A N SER 256.A O no hydrogen 2.920 N/A TYR 260.A OH GLY 172.A O no hydrogen 2.530 N/A ALA 263.A N TYR 260.A O no hydrogen 3.143 N/A GLY 272.A N VAL 234.A O no hydrogen 2.815 N/A THR 276.A N ASP 274.A OD1 no hydrogen 3.066 N/A THR 276.A OG1 ASP 274.A OD1 no hydrogen 2.846 N/A