Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2q8s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG GLU 1.A OE2 no hydrogen 3.396 N/A ALA 3.A N GLU 1.A OE2 no hydrogen 3.104 N/A LEU 5.A N GLU 1.A O no hydrogen 3.463 N/A ARG 6.A N SER 2.A O no hydrogen 2.751 N/A ALA 7.A N ALA 3.A O no hydrogen 3.086 N/A LEU 8.A N ASP 4.A O no hydrogen 3.142 N/A ALA 9.A N LEU 5.A O no hydrogen 2.982 N/A LYS 10.A N ARG 6.A O no hydrogen 2.975 N/A HIS 11.A N ALA 7.A O no hydrogen 3.032 N/A HIS 11.A NE2 SER 81.A O no hydrogen 2.724 N/A LEU 12.A N LEU 8.A O no hydrogen 2.996 N/A TYR 13.A N ALA 9.A O no hydrogen 3.123 N/A ASP 14.A N LYS 10.A O no hydrogen 3.035 N/A SER 15.A N HIS 11.A O no hydrogen 3.131 N/A SER 15.A OG HIS 11.A O no hydrogen 2.835 N/A SER 15.A OG SER 81.A OG no hydrogen 3.337 N/A TYR 16.A N LEU 12.A O no hydrogen 2.806 N/A TYR 16.A OH ASP 160.A OD1 no hydrogen 2.714 N/A ILE 17.A N TYR 13.A O no hydrogen 2.912 N/A LYS 18.A N ASP 14.A O no hydrogen 3.159 N/A LYS 18.A NZ ASP 14.A OD1 no hydrogen 2.856 N/A SER 19.A N TYR 16.A O no hydrogen 3.061 N/A SER 19.A OG SER 15.A O no hydrogen 2.779 N/A PHE 20.A N TYR 16.A O no hydrogen 2.934 N/A LYS 24.A N ASP 160.A OD1 no hydrogen 2.776 N/A LYS 24.A NZ LEU 158.A O no hydrogen 3.059 N/A ALA 25.A N ASP 160.A OD2 no hydrogen 3.053 N/A LYS 26.A N THR 23.A OG1 no hydrogen 3.147 N/A ALA 27.A N THR 23.A O no hydrogen 2.988 N/A ARG 28.A N LYS 24.A O no hydrogen 2.796 N/A ARG 28.A NH2 MET 113.A O no hydrogen 2.601 N/A ALA 29.A N ALA 25.A O no hydrogen 3.114 N/A ILE 30.A N LYS 26.A O no hydrogen 3.063 N/A LEU 31.A N ALA 27.A O no hydrogen 3.039 N/A THR 32.A N ARG 28.A O no hydrogen 2.935 N/A THR 32.A OG1 ARG 28.A O no hydrogen 2.660 N/A GLY 33.A N ALA 29.A O no hydrogen 3.306 N/A LYS 34.A N ALA 29.A O no hydrogen 3.124 N/A THR 36.A OG1 ASP 37.A OD2 no hydrogen 3.187 N/A ASP 37.A N LYS 34.A O no hydrogen 3.264 N/A LYS 38.A NZ.A THR 36.A O no hydrogen 3.325 N/A PHE 41.A N GLN 124.A O no hydrogen 2.888 N/A ILE 43.A N PHE 126.A O no hydrogen 2.812 N/A TYR 44.A N SER 48.A OG no hydrogen 2.862 N/A ASP 45.A N SER 48.A OG no hydrogen 2.742 N/A SER 48.A N ASP 45.A OD2 no hydrogen 2.809 N/A SER 48.A OG ASP 45.A O no hydrogen 2.800 N/A SER 48.A OG ASP 45.A OD2 no hydrogen 2.601 N/A LEU 49.A N ASP 45.A O no hydrogen 2.883 N/A MET 50.A N MET 46.A O no hydrogen 2.753 N/A MET 51.A N ASN 47.A O no hydrogen 2.752 N/A GLY 52.A N SER 48.A O no hydrogen 2.921 N/A GLU 53.A N LEU 49.A O no hydrogen 2.970 N/A ASP 54.A N MET 51.A O no hydrogen 3.036 N/A ALA 57.A N GLU 55.A OE1 no hydrogen 3.143 N/A ARG 59.A N GLU 55.A O no hydrogen 2.906 N/A ILE 60.A N VAL 56.A O no hydrogen 2.775 N/A PHE 61.A N ALA 57.A O no hydrogen 3.099 N/A GLN 62.A N ILE 58.A O no hydrogen 2.755 N/A GLY 63.A N ARG 59.A O no hydrogen 3.072 N/A CYS 64.A N ILE 60.A O no hydrogen 2.915 N/A CYS 64.A SG ILE 60.A O no hydrogen 3.537 N/A GLN 65.A N PHE 61.A O no hydrogen 3.138 N/A GLN 65.A NE2 SER 243.A O no hydrogen 3.412 N/A PHE 66.A N GLN 62.A O no hydrogen 3.048 N/A ARG 67.A N GLY 63.A O no hydrogen 3.224 N/A ARG 67.A NH1 GLU 74.A OE2 no hydrogen 3.461 N/A ARG 67.A NH2 GLU 74.A OE1 no hydrogen 3.508 N/A SER 68.A N CYS 64.A O no hydrogen 2.977 N/A SER 68.A OG CYS 64.A O no hydrogen 2.404 N/A SER 68.A OG GLN 65.A O no hydrogen 3.481 N/A VAL 69.A N GLN 65.A O no hydrogen 2.926 N/A GLU 70.A N PHE 66.A O no hydrogen 3.011 N/A ALA 71.A N ARG 67.A O no hydrogen 2.850 N/A VAL 72.A N SER 68.A O no hydrogen 2.669 N/A GLN 73.A N VAL 69.A O no hydrogen 3.142 N/A GLU 74.A N GLU 70.A O no hydrogen 3.194 N/A ILE 75.A N ALA 71.A O no hydrogen 2.745 N/A THR 76.A N VAL 72.A O no hydrogen 2.775 N/A THR 76.A OG1 VAL 72.A O no hydrogen 2.959 N/A GLU 77.A N GLN 73.A O no hydrogen 3.145 N/A TYR 78.A N GLU 74.A O no hydrogen 3.053 N/A TYR 78.A OH ALA 164.A O no hydrogen 2.387 N/A ALA 79.A N ILE 75.A O no hydrogen 2.885 N/A LYS 80.A N THR 76.A O no hydrogen 3.398 N/A SER 81.A OG TYR 78.A O no hydrogen 2.562 N/A ILE 82.A N ALA 79.A O no hydrogen 2.762 N/A PHE 85.A N ILE 82.A O no hydrogen 2.870 N/A ASN 87.A N GLY 84.A O no hydrogen 3.167 N/A LEU 88.A N PHE 85.A O no hydrogen 3.269 N/A ASN 91.A N ASP 89.A OD1 no hydrogen 3.017 N/A ASN 91.A ND2 ASP 89.A OD1 no hydrogen 2.992 N/A GLN 93.A N ASP 89.A O no hydrogen 3.037 N/A GLN 93.A NE2 LEU 88.A O no hydrogen 3.094 N/A VAL 94.A N LEU 90.A O no hydrogen 3.121 N/A THR 95.A N ASN 91.A O no hydrogen 3.075 N/A THR 95.A OG1 ASN 91.A O no hydrogen 3.294 N/A LEU 96.A N ASP 92.A O no hydrogen 2.737 N/A LEU 97.A N GLN 93.A O no hydrogen 3.079 N/A LYS 98.A N VAL 94.A O no hydrogen 2.741 N/A LYS 98.A NZ GLU 250.A O no hydrogen 2.788 N/A LYS 98.A NZ ILE 251.A O no hydrogen 2.493 N/A TYR 99.A N THR 95.A O no hydrogen 3.168 N/A GLY 100.A N LEU 96.A O no hydrogen 2.989 N/A VAL 101.A N LEU 97.A O no hydrogen 3.130 N/A ILE 104.A N GLY 100.A O no hydrogen 3.151 N/A ILE 105.A N VAL 101.A O no hydrogen 3.022 N/A TYR 106.A N HIS 102.A O no hydrogen 3.051 N/A THR 107.A N GLU 103.A O no hydrogen 3.280 N/A THR 107.A OG1 GLU 103.A O no hydrogen 2.971 N/A MET 108.A N ILE 104.A O no hydrogen 2.922 N/A LEU 109.A N ILE 105.A O no hydrogen 2.819 N/A ALA 110.A N TYR 106.A O no hydrogen 3.298 N/A ALA 110.A N THR 107.A O no hydrogen 3.211 N/A SER 111.A N MET 108.A O no hydrogen 3.175 N/A LEU 112.A N LEU 109.A O no hydrogen 2.939 N/A MET 113.A N ALA 110.A O no hydrogen 2.937 N/A ASN 114.A N GLY 117.A O no hydrogen 2.962 N/A LYS 115.A NZ ASP 116.A OD1 no hydrogen 3.528 N/A ASP 116.A N ASN 114.A OD1 no hydrogen 2.894 N/A GLY 117.A N ASN 114.A O no hydrogen 3.272 N/A VAL 118.A N MET 127.A O no hydrogen 2.938 N/A LEU 119.A N LEU 112.A O no hydrogen 2.905 N/A ILE 120.A N GLY 125.A O no hydrogen 2.910 N/A SER 121.A OG GLN 124.A OE1 no hydrogen 3.175 N/A GLY 123.A N ILE 120.A O no hydrogen 2.980 N/A GLN 124.A N SER 121.A O no hydrogen 3.205 N/A GLY 125.A N ILE 120.A O no hydrogen 3.051 N/A PHE 126.A N PHE 41.A O no hydrogen 2.799 N/A MET 127.A N VAL 118.A O no hydrogen 2.887 N/A THR 128.A N ILE 43.A O no hydrogen 3.069 N/A THR 128.A OG1 ILE 43.A O no hydrogen 3.570 N/A ARG 129.A N ASP 116.A O no hydrogen 2.960 N/A ARG 129.A NE GLU 144.A OE1 no hydrogen 2.872 N/A ARG 129.A NH1 LYS 115.A O no hydrogen 3.099 N/A ARG 129.A NH2 GLU 144.A OE2 no hydrogen 3.314 N/A PHE 131.A N THR 128.A OG1 no hydrogen 3.261 N/A LEU 132.A N THR 128.A O no hydrogen 3.283 N/A LYS 133.A N ARG 129.A O no hydrogen 3.123 N/A LYS 133.A N GLU 130.A O no hydrogen 3.188 N/A SER 134.A N GLU 130.A O no hydrogen 3.200 N/A SER 134.A N PHE 131.A O no hydrogen 3.059 N/A SER 134.A OG PHE 131.A O no hydrogen 2.696 N/A ARG 136.A NH2 GLU 239.A OE1 no hydrogen 3.329 N/A PHE 139.A N ARG 136.A O no hydrogen 3.003 N/A LYS 146.A NZ PHE 142.A O no hydrogen 2.666 N/A LYS 146.A NZ HIS 228.A ND1 no hydrogen 2.969 N/A PHE 147.A N MET 143.A O no hydrogen 3.045 N/A GLU 148.A N GLU 144.A O no hydrogen 2.879 N/A PHE 149.A N PRO 145.A O no hydrogen 3.005 N/A ALA 150.A N LYS 146.A O no hydrogen 2.936 N/A VAL 151.A N PHE 147.A O no hydrogen 3.025 N/A PHE 153.A N PHE 149.A O no hydrogen 2.727 N/A ASN 154.A N ALA 150.A O no hydrogen 2.688 N/A ALA 155.A N LYS 152.A O no hydrogen 3.348 N/A LEU 156.A N PHE 153.A O no hydrogen 3.128 N/A GLU 157.A N ASN 154.A O no hydrogen 3.032 N/A ASP 159.A N ASP 162.A OD2 no hydrogen 3.105 N/A SER 161.A OG ASP 159.A OD1 no hydrogen 2.556 N/A ASP 162.A N ASP 159.A OD1 no hydrogen 3.284 N/A LEU 163.A N ASP 159.A O no hydrogen 2.990 N/A ALA 164.A N ASP 160.A O no hydrogen 2.834 N/A ILE 165.A N ASP 162.A O no hydrogen 3.135 N/A PHE 166.A N ASP 162.A O no hydrogen 3.123 N/A ILE 167.A N LEU 163.A O no hydrogen 2.836 N/A VAL 169.A N ILE 165.A O no hydrogen 2.940 N/A ILE 170.A N PHE 166.A O no hydrogen 2.962 N/A ILE 171.A N ILE 167.A O no hydrogen 3.172 N/A LEU 172.A N ALA 168.A O no hydrogen 3.186 N/A SER 173.A OG ILE 170.A O no hydrogen 2.654 N/A ARG 176.A NH1 GLU 103.A OE1 no hydrogen 3.524 N/A ARG 176.A NH1 GLU 103.A OE2 no hydrogen 3.317 N/A ARG 176.A NH2 GLU 103.A OE1 no hydrogen 2.952 N/A ARG 176.A NH2 ILE 170.A O no hydrogen 3.290 N/A LEU 180.A N ASP 92.A OD1 no hydrogen 2.920 N/A ASN 181.A N ASP 92.A OD2 no hydrogen 3.219 N/A LYS 183.A NZ ASP 187.A OD1 no hydrogen 3.204 N/A LYS 183.A NZ ASP 187.A OD2 no hydrogen 3.008 N/A GLU 186.A N VAL 182.A O no hydrogen 2.918 N/A ASP 187.A N LYS 183.A O no hydrogen 2.955 N/A ILE 188.A N PRO 184.A O no hydrogen 3.456 N/A GLN 189.A N ILE 185.A O no hydrogen 3.089 N/A GLN 189.A NE2 VAL 169.A O no hydrogen 2.754 N/A ASP 190.A N GLU 186.A O no hydrogen 2.933 N/A ASN 191.A N ASP 187.A O no hydrogen 3.411 N/A LEU 192.A N ILE 188.A O no hydrogen 2.974 N/A LEU 193.A N GLN 189.A O no hydrogen 2.702 N/A GLN 194.A N ASP 190.A O no hydrogen 2.944 N/A ALA 195.A N ASN 191.A O no hydrogen 3.098 N/A LEU 196.A N LEU 192.A O no hydrogen 2.790 N/A GLU 197.A N LEU 193.A O no hydrogen 2.782 N/A LEU 198.A N GLN 194.A O no hydrogen 2.944 N/A GLN 199.A N ALA 195.A O no hydrogen 2.677 N/A GLN 199.A NE2 ASP 162.A OD1 no hydrogen 2.797 N/A LEU 200.A N LEU 196.A O no hydrogen 2.855 N/A LYS 201.A N GLU 197.A O no hydrogen 3.190 N/A LYS 201.A NZ GLU 197.A OE2 no hydrogen 3.437 N/A LEU 202.A N LEU 198.A O no hydrogen 3.047 N/A ASN 203.A N GLN 199.A O no hydrogen 2.835 N/A ASN 203.A ND2 ASP 159.A OD2 no hydrogen 2.961 N/A ASN 203.A ND2 ASP 162.A OD1 no hydrogen 3.110 N/A ASN 203.A ND2 ASP 162.A OD2 no hydrogen 2.990 N/A HIS 204.A N LEU 200.A O no hydrogen 2.689 N/A HIS 204.A NE2 ASP 162.A OD2 no hydrogen 2.575 N/A SER 207.A N HIS 204.A O no hydrogen 3.017 N/A LYS 213.A N GLN 209.A O no hydrogen 3.058 N/A LEU 214.A N LEU 210.A O no hydrogen 2.749 N/A LEU 215.A N PHE 211.A O no hydrogen 3.021 N/A GLN 216.A N ALA 212.A O no hydrogen 3.140 N/A GLN 216.A NE2 ALA 212.A O no hydrogen 3.550 N/A LYS 217.A N LEU 214.A O no hydrogen 3.001 N/A MET 218.A N LEU 215.A O no hydrogen 3.126 N/A THR 219.A N GLN 216.A O no hydrogen 3.277 N/A THR 219.A OG1 GLN 216.A O no hydrogen 2.971 N/A LEU 221.A N LYS 217.A O no hydrogen 2.947 N/A ARG 222.A N MET 218.A O no hydrogen 3.394 N/A ARG 222.A NH1 ASP 175.A OD2 no hydrogen 3.443 N/A GLN 223.A N THR 219.A O no hydrogen 3.277 N/A ILE 224.A N ASP 220.A O no hydrogen 3.109 N/A VAL 225.A N LEU 221.A O no hydrogen 3.157 N/A THR 226.A N ARG 222.A O no hydrogen 3.239 N/A THR 226.A OG1 ARG 222.A O no hydrogen 2.955 N/A GLU 227.A N GLN 223.A O no hydrogen 2.971 N/A HIS 228.A N ILE 224.A O no hydrogen 3.144 N/A VAL 229.A N VAL 225.A O no hydrogen 3.023 N/A GLN 230.A N THR 226.A O no hydrogen 3.071 N/A LEU 231.A N GLU 227.A O no hydrogen 3.040 N/A LEU 232.A N HIS 228.A O no hydrogen 2.885 N/A GLN 233.A N VAL 229.A O no hydrogen 3.134 N/A VAL 234.A N GLN 230.A O no hydrogen 3.384 N/A LYS 236.A N LEU 232.A O no hydrogen 2.971 N/A LYS 237.A NZ GLN 233.A O no hydrogen 2.815 N/A THR 238.A N VAL 234.A O no hydrogen 2.974 N/A THR 238.A OG1 VAL 234.A O no hydrogen 2.888 N/A GLU 239.A N ILE 235.A O no hydrogen 2.744 N/A LEU 247.A N HIS 245.A ND1 no hydrogen 3.181 N/A GLN 249.A N HIS 245.A O no hydrogen 2.937 N/A GLN 249.A NE2 LEU 244.A O no hydrogen 3.139 N/A GLU 250.A N PRO 246.A O no hydrogen 3.070 N/A ILE 251.A N LEU 247.A O no hydrogen 3.259 N/A TYR 252.A N LEU 248.A O no hydrogen 3.146 N/A LYS 253.A N GLN 249.A O no hydrogen 2.881 N/A