Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r8i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N GLU 1.A OE1 no hydrogen 3.437 N/A ASP 4.A N GLU 1.A O no hydrogen 3.099 N/A ARG 6.A N SER 2.A O no hydrogen 3.074 N/A ARG 6.A NH1 GLN 214.A OE1 no hydrogen 2.828 N/A ARG 6.A NH2 GLN 214.A OE1 no hydrogen 3.543 N/A ALA 7.A N ALA 3.A O no hydrogen 3.283 N/A LEU 8.A N ASP 4.A O no hydrogen 3.131 N/A ALA 9.A N LEU 5.A O no hydrogen 3.048 N/A LYS 10.A N ARG 6.A O no hydrogen 3.131 N/A HIS 11.A N ALA 7.A O no hydrogen 3.038 N/A HIS 11.A NE2 SER 96.A O no hydrogen 2.764 N/A LEU 12.A N LEU 8.A O no hydrogen 2.972 N/A TYR 13.A N ALA 9.A O no hydrogen 2.948 N/A ASP 14.A N LYS 10.A O no hydrogen 2.874 N/A SER 15.A N HIS 11.A O no hydrogen 3.125 N/A SER 15.A OG HIS 11.A O no hydrogen 2.903 N/A SER 15.A OG SER 96.A OG no hydrogen 3.369 N/A TYR 16.A N LEU 12.A O no hydrogen 3.007 N/A TYR 16.A OH ASP 175.A OD1 no hydrogen 2.732 N/A ILE 17.A N TYR 13.A O no hydrogen 3.203 N/A LYS 18.A N ASP 14.A O no hydrogen 3.352 N/A LYS 18.A NZ ASP 14.A OD2 no hydrogen 3.064 N/A SER 19.A N SER 15.A O no hydrogen 2.763 N/A SER 19.A N TYR 16.A O no hydrogen 3.174 N/A SER 19.A OG SER 15.A O no hydrogen 2.743 N/A PHE 20.A N TYR 16.A O no hydrogen 2.857 N/A LYS 24.A N ASP 175.A OD1 no hydrogen 2.946 N/A LYS 24.A NZ LEU 173.A O no hydrogen 2.798 N/A ALA 25.A N ASP 175.A OD2 no hydrogen 3.087 N/A LYS 26.A N THR 23.A OG1 no hydrogen 3.238 N/A ALA 27.A N THR 23.A O no hydrogen 3.064 N/A ARG 28.A N LYS 24.A O no hydrogen 2.748 N/A ARG 28.A NH1 SER 126.A O no hydrogen 2.914 N/A ARG 28.A NH1 MET 128.A O no hydrogen 2.943 N/A ARG 28.A NH2 MET 128.A O no hydrogen 3.474 N/A ALA 29.A N ALA 25.A O no hydrogen 3.192 N/A ILE 30.A N LYS 26.A O no hydrogen 2.965 N/A LEU 31.A N ALA 27.A O no hydrogen 2.882 N/A THR 32.A N ARG 28.A O no hydrogen 2.915 N/A THR 32.A OG1 ARG 28.A O no hydrogen 2.845 N/A LYS 38.A N THR 35.A OG1 no hydrogen 3.042 N/A PHE 41.A N GLN 139.A O no hydrogen 2.934 N/A ILE 43.A N PHE 141.A O no hydrogen 2.872 N/A TYR 44.A N SER 48.A OG no hydrogen 2.843 N/A ASP 45.A N SER 48.A OG no hydrogen 3.032 N/A SER 48.A N ASP 45.A OD1 no hydrogen 2.694 N/A SER 48.A OG ASP 45.A O no hydrogen 3.000 N/A SER 48.A OG ASP 45.A OD1 no hydrogen 2.736 N/A LEU 49.A N ASP 45.A O no hydrogen 2.953 N/A MET 50.A N MET 46.A O no hydrogen 3.267 N/A MET 51.A N ASN 47.A O no hydrogen 3.107 N/A GLY 52.A N LEU 49.A O no hydrogen 2.840 N/A ASP 54.A N MET 51.A O no hydrogen 2.989 N/A LYS 55.A N MET 51.A O no hydrogen 3.383 N/A ILE 56.A N GLY 52.A O no hydrogen 3.019 N/A HIS 60.A N PHE 58.A O no hydrogen 2.684 N/A THR 62.A OG1 GLU 53.A OE1 no hydrogen 2.418 N/A ARG 74.A N GLU 70.A O no hydrogen 3.022 N/A ILE 75.A N VAL 71.A O no hydrogen 2.875 N/A PHE 76.A N ALA 72.A O no hydrogen 2.945 N/A GLN 77.A N ILE 73.A O no hydrogen 2.863 N/A GLY 78.A N ILE 75.A O no hydrogen 2.865 N/A CYS 79.A N ILE 75.A O no hydrogen 3.190 N/A CYS 79.A SG ILE 75.A O no hydrogen 3.576 N/A GLN 80.A N PHE 76.A O no hydrogen 3.100 N/A GLN 80.A NE2 SER 258.A O no hydrogen 3.251 N/A PHE 81.A N GLN 77.A O no hydrogen 3.045 N/A ARG 82.A N GLY 78.A O no hydrogen 3.074 N/A ARG 82.A NH1 GLU 89.A OE2 no hydrogen 2.864 N/A SER 83.A N CYS 79.A O no hydrogen 2.688 N/A SER 83.A OG CYS 79.A O no hydrogen 3.097 N/A VAL 84.A N GLN 80.A O no hydrogen 3.089 N/A GLU 85.A N PHE 81.A O no hydrogen 3.143 N/A ALA 86.A N ARG 82.A O no hydrogen 2.776 N/A VAL 87.A N SER 83.A O no hydrogen 2.746 N/A GLN 88.A N VAL 84.A O no hydrogen 3.097 N/A GLU 89.A N GLU 85.A O no hydrogen 3.245 N/A ILE 90.A N ALA 86.A O no hydrogen 2.745 N/A THR 91.A N VAL 87.A O no hydrogen 2.809 N/A THR 91.A OG1 VAL 87.A O no hydrogen 2.849 N/A GLU 92.A N GLN 88.A O no hydrogen 3.225 N/A TYR 93.A N GLU 89.A O no hydrogen 3.113 N/A TYR 93.A OH ALA 179.A O no hydrogen 2.720 N/A ALA 94.A N ILE 90.A O no hydrogen 2.982 N/A LYS 95.A N THR 91.A O no hydrogen 3.430 N/A SER 96.A N TYR 93.A O no hydrogen 2.944 N/A SER 96.A OG TYR 93.A O no hydrogen 2.584 N/A ILE 97.A N ALA 94.A O no hydrogen 2.726 N/A PHE 100.A N ILE 97.A O no hydrogen 2.848 N/A ASN 102.A N GLY 99.A O no hydrogen 3.165 N/A LEU 103.A N PHE 100.A O no hydrogen 3.272 N/A ASN 106.A N ASP 104.A OD2 no hydrogen 2.519 N/A ASN 106.A ND2 ASP 104.A OD1 no hydrogen 3.402 N/A ASN 106.A ND2 ASP 104.A OD2 no hydrogen 2.454 N/A GLN 108.A N ASP 104.A O no hydrogen 3.034 N/A VAL 109.A N LEU 105.A O no hydrogen 3.223 N/A THR 110.A N ASN 106.A O no hydrogen 2.895 N/A THR 110.A OG1 ASN 106.A O no hydrogen 3.243 N/A LEU 111.A N ASP 107.A O no hydrogen 2.651 N/A LEU 112.A N GLN 108.A O no hydrogen 3.039 N/A LYS 113.A N VAL 109.A O no hydrogen 2.806 N/A LYS 113.A NZ ILE 266.A O no hydrogen 3.065 N/A TYR 114.A N THR 110.A O no hydrogen 3.178 N/A GLY 115.A N LEU 111.A O no hydrogen 2.965 N/A VAL 116.A N LEU 112.A O no hydrogen 3.096 N/A ILE 119.A N GLY 115.A O no hydrogen 3.069 N/A ILE 120.A N VAL 116.A O no hydrogen 2.844 N/A TYR 121.A N HIS 117.A O no hydrogen 3.028 N/A THR 122.A N GLU 118.A O no hydrogen 3.308 N/A THR 122.A OG1 GLU 118.A O no hydrogen 2.963 N/A MET 123.A N ILE 119.A O no hydrogen 2.974 N/A LEU 124.A N ILE 120.A O no hydrogen 2.831 N/A ALA 125.A N TYR 121.A O no hydrogen 3.249 N/A ALA 125.A N THR 122.A O no hydrogen 3.086 N/A SER 126.A N MET 123.A O no hydrogen 3.076 N/A LEU 127.A N LEU 124.A O no hydrogen 3.147 N/A MET 128.A N ALA 125.A O no hydrogen 2.929 N/A ASN 129.A N GLY 132.A O no hydrogen 3.162 N/A ASP 131.A N ASN 129.A OD1 no hydrogen 2.706 N/A GLY 132.A N ASN 129.A O no hydrogen 3.235 N/A GLY 132.A N ASN 129.A OD1 no hydrogen 2.873 N/A VAL 133.A N MET 142.A O no hydrogen 2.974 N/A LEU 134.A N LEU 127.A O no hydrogen 3.097 N/A ILE 135.A N GLY 140.A O no hydrogen 2.966 N/A SER 136.A OG ILE 135.A O no hydrogen 2.930 N/A SER 136.A OG SER 136.A O no hydrogen 2.566 N/A GLY 138.A N ILE 135.A O no hydrogen 3.031 N/A GLN 139.A N SER 136.A O no hydrogen 3.163 N/A GLN 139.A NE2 SER 136.A O no hydrogen 3.060 N/A GLY 140.A N ILE 135.A O no hydrogen 3.097 N/A PHE 141.A N PHE 41.A O no hydrogen 2.927 N/A MET 142.A N VAL 133.A O no hydrogen 2.880 N/A THR 143.A N ILE 43.A O no hydrogen 3.032 N/A THR 143.A OG1 ILE 43.A O no hydrogen 3.464 N/A ARG 144.A N ASP 131.A O no hydrogen 2.772 N/A ARG 144.A NE GLU 159.A OE1 no hydrogen 3.313 N/A ARG 144.A NE GLU 159.A OE2 no hydrogen 3.126 N/A ARG 144.A NH1 LYS 130.A O no hydrogen 3.155 N/A ARG 144.A NH2 GLU 159.A OE2 no hydrogen 2.567 N/A LEU 147.A N THR 143.A O no hydrogen 3.149 N/A LYS 148.A N ARG 144.A O no hydrogen 3.049 N/A LYS 148.A NZ GLU 145.A OE2 no hydrogen 3.467 N/A SER 149.A N PHE 146.A O no hydrogen 2.882 N/A SER 149.A OG GLU 145.A O no hydrogen 3.471 N/A SER 149.A OG PHE 146.A O no hydrogen 2.542 N/A ARG 151.A NH1 GLU 254.A OE2 no hydrogen 2.738 N/A GLY 155.A N ARG 151.A O no hydrogen 2.680 N/A ASP 156.A N PRO 153.A O no hydrogen 3.394 N/A PHE 157.A N PHE 154.A O no hydrogen 3.520 N/A LYS 161.A N MET 158.A O no hydrogen 2.851 N/A LYS 161.A NZ PHE 157.A O no hydrogen 3.356 N/A PHE 162.A N MET 158.A O no hydrogen 3.097 N/A GLU 163.A N GLU 159.A O no hydrogen 2.948 N/A PHE 164.A N PRO 160.A O no hydrogen 2.976 N/A ALA 165.A N LYS 161.A O no hydrogen 2.794 N/A VAL 166.A N PHE 162.A O no hydrogen 3.003 N/A PHE 168.A N PHE 164.A O no hydrogen 2.859 N/A ASN 169.A N ALA 165.A O no hydrogen 2.831 N/A ASN 169.A ND2 ALA 125.A O no hydrogen 3.326 N/A ALA 170.A N LYS 167.A O no hydrogen 3.162 N/A LEU 171.A N PHE 168.A O no hydrogen 3.136 N/A GLU 172.A N ASN 169.A O no hydrogen 2.881 N/A ASP 174.A N ASP 177.A OD2 no hydrogen 2.812 N/A SER 176.A OG ASP 174.A OD1 no hydrogen 2.359 N/A ASP 177.A N ASP 174.A O no hydrogen 2.826 N/A ASP 177.A N ASP 174.A OD1 no hydrogen 3.163 N/A LEU 178.A N ASP 174.A O no hydrogen 3.004 N/A ALA 179.A N ASP 175.A O no hydrogen 2.833 N/A PHE 181.A N ASP 177.A O no hydrogen 3.144 N/A ILE 182.A N LEU 178.A O no hydrogen 2.937 N/A ALA 183.A N ALA 179.A O no hydrogen 3.317 N/A VAL 184.A N ILE 180.A O no hydrogen 2.914 N/A ILE 185.A N PHE 181.A O no hydrogen 3.006 N/A ILE 186.A N ILE 182.A O no hydrogen 3.146 N/A LEU 187.A N ALA 183.A O no hydrogen 3.222 N/A SER 188.A OG ILE 185.A O no hydrogen 2.869 N/A SER 188.A OG GLN 204.A OE1 no hydrogen 3.489 N/A ARG 191.A NH1 GLU 118.A OE1 no hydrogen 3.375 N/A ARG 191.A NH1 GLU 118.A OE2 no hydrogen 3.001 N/A ARG 191.A NH2 GLU 118.A OE1 no hydrogen 2.776 N/A ARG 191.A NH2 ILE 185.A O no hydrogen 3.142 N/A LEU 194.A N ARG 191.A O no hydrogen 3.471 N/A LEU 195.A N ASP 107.A OD1 no hydrogen 2.770 N/A ASN 196.A N ASP 107.A OD2 no hydrogen 2.985 N/A GLU 201.A N VAL 197.A O no hydrogen 3.046 N/A ASP 202.A N LYS 198.A O no hydrogen 3.094 N/A GLN 204.A N ILE 200.A O no hydrogen 3.012 N/A ASP 205.A N GLU 201.A O no hydrogen 2.875 N/A ASN 206.A N ASP 202.A O no hydrogen 3.309 N/A LEU 207.A N ILE 203.A O no hydrogen 3.013 N/A LEU 208.A N GLN 204.A O no hydrogen 2.765 N/A GLN 209.A N ASP 205.A O no hydrogen 3.106 N/A ALA 210.A N ASN 206.A O no hydrogen 3.043 N/A LEU 211.A N LEU 207.A O no hydrogen 2.740 N/A GLU 212.A N LEU 208.A O no hydrogen 2.906 N/A LEU 213.A N GLN 209.A O no hydrogen 3.148 N/A GLN 214.A N ALA 210.A O no hydrogen 2.946 N/A GLN 214.A NE2 ASP 177.A OD1 no hydrogen 3.050 N/A LEU 215.A N LEU 211.A O no hydrogen 2.859 N/A LYS 216.A N GLU 212.A O no hydrogen 3.123 N/A LEU 217.A N LEU 213.A O no hydrogen 2.933 N/A ASN 218.A N GLN 214.A O no hydrogen 2.786 N/A ASN 218.A ND2 ASP 174.A OD2 no hydrogen 2.949 N/A ASN 218.A ND2 ASP 177.A OD1 no hydrogen 3.035 N/A ASN 218.A ND2 ASP 177.A OD2 no hydrogen 3.167 N/A HIS 219.A N LEU 215.A O no hydrogen 2.731 N/A HIS 219.A NE2 GLU 172.A O no hydrogen 3.306 N/A GLU 221.A N GLU 221.A OE1 no hydrogen 2.587 N/A SER 222.A N HIS 219.A O no hydrogen 2.849 N/A LYS 228.A N GLN 224.A O no hydrogen 2.935 N/A LEU 229.A N LEU 225.A O no hydrogen 2.835 N/A LEU 230.A N PHE 226.A O no hydrogen 3.154 N/A GLN 231.A N ALA 227.A O no hydrogen 3.279 N/A LYS 232.A N LEU 229.A O no hydrogen 3.081 N/A MET 233.A N LEU 230.A O no hydrogen 2.899 N/A THR 234.A N GLN 231.A O no hydrogen 3.101 N/A ASP 235.A N LYS 232.A O no hydrogen 3.055 N/A LEU 236.A N LYS 232.A O no hydrogen 3.411 N/A GLN 238.A N THR 234.A O no hydrogen 3.394 N/A GLN 238.A NE2 THR 234.A O no hydrogen 3.373 N/A ILE 239.A N ASP 235.A O no hydrogen 3.267 N/A VAL 240.A N LEU 236.A O no hydrogen 3.115 N/A THR 241.A N ARG 237.A O no hydrogen 3.242 N/A THR 241.A OG1 ARG 237.A O no hydrogen 3.260 N/A GLU 242.A N GLN 238.A O no hydrogen 2.960 N/A HIS 243.A N ILE 239.A O no hydrogen 2.989 N/A VAL 244.A N VAL 240.A O no hydrogen 2.811 N/A GLN 245.A N THR 241.A O no hydrogen 3.169 N/A LEU 246.A N GLU 242.A O no hydrogen 3.167 N/A LEU 247.A N HIS 243.A O no hydrogen 2.836 N/A GLN 248.A N VAL 244.A O no hydrogen 2.919 N/A VAL 249.A N GLN 245.A O no hydrogen 3.182 N/A ILE 250.A N LEU 246.A O no hydrogen 3.348 N/A LYS 251.A N LEU 247.A O no hydrogen 3.143 N/A LYS 252.A N VAL 249.A O no hydrogen 2.957 N/A THR 253.A N VAL 249.A O no hydrogen 3.013 N/A THR 253.A OG1 VAL 249.A O no hydrogen 3.326 N/A THR 253.A OG1 ILE 250.A O no hydrogen 3.329 N/A THR 253.A OG1 GLU 254.A OE1 no hydrogen 3.382 N/A GLU 254.A N ILE 250.A O no hydrogen 2.936 N/A MET 257.A N GLU 254.A O no hydrogen 3.387 N/A HIS 260.A N GLN 80.A OE1 no hydrogen 3.292 N/A LEU 262.A N HIS 260.A ND1 no hydrogen 3.110 N/A LEU 263.A N HIS 260.A O no hydrogen 2.969 N/A GLN 264.A N HIS 260.A O no hydrogen 2.985 N/A GLU 265.A N PRO 261.A O no hydrogen 2.900 N/A ILE 266.A N LEU 262.A O no hydrogen 3.409 N/A TYR 267.A N LEU 263.A O no hydrogen 3.192 N/A