Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3upr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N VAL 102.A O no hydrogen 2.752 N/A HIS 2.A N VAL 102.A O no hydrogen 3.008 N/A HIS 2.A ND1 ASP 28.A OD2 no hydrogen 2.747 N/A SER 3.A N ASP 28.A OD1 no hydrogen 2.903 N/A MET 4.A N CYS 100.A O no hydrogen 2.969 N/A ARG 5.A N TYR 26.A O no hydrogen 2.941 N/A ARG 5.A NH1 ASP 101.A OD1 no hydrogen 2.519 N/A TYR 6.A N TYR 98.A O no hydrogen 2.843 N/A PHE 7.A N VAL 24.A O no hydrogen 2.844 N/A TYR 8.A N VAL 96.A O no hydrogen 2.795 N/A THR 9.A N ILE 22.A O no hydrogen 2.771 N/A ALA 10.A N ILE 94.A O no hydrogen 2.839 N/A MET 11.A N ARG 20.A O no hydrogen 2.807 N/A SER 12.A N HIS 92.A O no hydrogen 2.857 N/A SER 12.A OG HIS 92.A O no hydrogen 3.217 N/A ARG 13.A NE GLU 18.A O no hydrogen 2.910 N/A ARG 13.A NH1 ASP 38.A OD2 no hydrogen 2.892 N/A ARG 13.A NH2 GLU 18.A O no hydrogen 3.127 N/A ARG 13.A NH2 ASP 38.A OD1 no hydrogen 2.738 N/A ARG 13.A NH2 ASP 38.A OD2 no hydrogen 3.473 N/A ARG 16.A N ARG 13.A O no hydrogen 2.796 N/A ARG 20.A N MET 11.A O no hydrogen 2.861 N/A ARG 20.A NE ASP 36.A OD1 no hydrogen 3.053 N/A ARG 20.A NH2 ASP 36.A OD1 no hydrogen 3.511 N/A ARG 20.A NH2 ASP 36.A OD2 no hydrogen 2.713 N/A PHE 21.A N SER 37.A OG no hydrogen 2.950 N/A ILE 22.A N THR 9.A O no hydrogen 2.800 N/A ALA 23.A N PHE 35.A O no hydrogen 3.039 N/A VAL 24.A N PHE 7.A O no hydrogen 3.010 N/A GLY 25.A N VAL 33.A O no hydrogen 3.219 N/A TYR 26.A N ARG 5.A O no hydrogen 2.834 N/A VAL 27.A N THR 30.A O no hydrogen 2.771 N/A ASP 28.A N SER 3.A O no hydrogen 2.704 N/A THR 30.A N VAL 27.A O no hydrogen 2.958 N/A THR 30.A OG1 TYR 208.A OH no hydrogen 2.583 N/A PHE 32.A N GLY 25.A O no hydrogen 2.816 N/A ARG 34.A N ALA 45.A O no hydrogen 2.987 N/A PHE 35.A N ALA 23.A O no hydrogen 2.753 N/A SER 37.A N PHE 21.A O no hydrogen 3.054 N/A ASP 38.A N ASP 36.A OD1 no hydrogen 3.086 N/A ALA 39.A N ASP 36.A O no hydrogen 3.311 N/A ARG 43.A NH2 ASP 60.A OD1 no hydrogen 2.871 N/A MET 44.A N THR 63.A OG1 no hydrogen 2.828 N/A ALA 45.A N ARG 34.A O no hydrogen 2.881 N/A ARG 47.A N PHE 32.A O no hydrogen 2.809 N/A GLU 52.A N PRO 49.A O no hydrogen 3.167 N/A GLN 53.A NE2 TRP 50.A O no hydrogen 2.819 N/A GLU 54.A N ILE 51.A O no hydrogen 3.107 N/A GLU 57.A N GLU 57.A OE1 no hydrogen 2.811 N/A TYR 58.A N GLY 55.A O no hydrogen 2.931 N/A TYR 58.A OH TYR 170.A OH no hydrogen 2.364 N/A TRP 59.A N GLY 55.A O no hydrogen 3.400 N/A TRP 59.A NE1 GLU 54.A O no hydrogen 3.009 N/A ASP 60.A N PRO 56.A O no hydrogen 2.787 N/A GLY 61.A N GLU 57.A O no hydrogen 3.356 N/A GLU 62.A N TYR 58.A O no hydrogen 3.026 N/A THR 63.A N TRP 59.A O no hydrogen 3.116 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.834 N/A ARG 64.A N ASP 60.A O no hydrogen 2.933 N/A ASN 65.A N GLY 61.A O no hydrogen 2.886 N/A MET 66.A N GLU 62.A O no hydrogen 2.919 N/A LYS 67.A N THR 63.A O no hydrogen 2.974 N/A ALA 68.A N ARG 64.A O no hydrogen 2.968 N/A SER 69.A N ASN 65.A O no hydrogen 2.795 N/A SER 69.A OG ASN 65.A O no hydrogen 3.125 N/A ALA 70.A N MET 66.A O no hydrogen 2.868 N/A GLN 71.A N LYS 67.A O no hydrogen 3.354 N/A THR 72.A N ALA 68.A O no hydrogen 3.142 N/A THR 72.A OG1 ALA 68.A O no hydrogen 3.381 N/A TYR 73.A N SER 69.A O no hydrogen 2.956 N/A ARG 74.A N ALA 70.A O no hydrogen 3.056 N/A ARG 74.A NE PRO 19.A O no hydrogen 2.858 N/A ARG 74.A NH1 GLN 71.A OE1 no hydrogen 2.582 N/A ARG 74.A NH2 PRO 19.A O no hydrogen 3.187 N/A GLU 75.A N GLN 71.A O no hydrogen 2.996 N/A ASN 76.A N THR 72.A O no hydrogen 2.829 N/A LEU 77.A N TYR 73.A O no hydrogen 2.958 N/A ARG 78.A N ARG 74.A O no hydrogen 3.297 N/A ILE 79.A N GLU 75.A O no hydrogen 2.985 N/A ALA 80.A N ASN 76.A O no hydrogen 3.021 N/A LEU 81.A N LEU 77.A O no hydrogen 3.065 N/A ARG 82.A N ARG 78.A O no hydrogen 3.315 N/A ARG 82.A N ILE 79.A O no hydrogen 2.960 N/A TYR 83.A N ILE 79.A O no hydrogen 2.955 N/A TYR 84.A N ALA 80.A O no hydrogen 2.981 N/A TYR 84.A OH ASP 136.A OD1 no hydrogen 3.298 N/A TYR 84.A OH ASP 136.A OD2 no hydrogen 2.521 N/A ASN 85.A N ARG 82.A O no hydrogen 3.397 N/A GLN 86.A N LEU 81.A O no hydrogen 2.825 N/A ALA 89.A N SER 87.A OG no hydrogen 3.076 N/A GLY 90.A N SER 87.A O no hydrogen 3.206 N/A SER 91.A OG SER 12.A O no hydrogen 2.478 N/A HIS 92.A N SER 12.A OG no hydrogen 2.622 N/A HIS 92.A ND1 ASP 118.A OD2 no hydrogen 2.688 N/A ILE 93.A N ASP 118.A OD1 no hydrogen 2.968 N/A ILE 94.A N ALA 10.A O no hydrogen 2.811 N/A GLN 95.A N ALA 116.A O no hydrogen 2.974 N/A VAL 96.A N TYR 8.A O no hydrogen 2.926 N/A MET 97.A N GLN 114.A O no hydrogen 2.976 N/A TYR 98.A N TYR 6.A O no hydrogen 3.103 N/A TYR 98.A OH TYR 8.A OH no hydrogen 2.529 N/A GLY 99.A N HIS 112.A O no hydrogen 3.083 N/A CYS 100.A N MET 4.A O no hydrogen 3.064 N/A ASP 101.A N ARG 110.A O no hydrogen 2.928 N/A VAL 102.A N HIS 2.A O no hydrogen 2.815 N/A GLY 103.A N ARG 107.A O no hydrogen 2.972 N/A GLY 106.A N GLY 103.A O no hydrogen 3.025 N/A ARG 107.A N ASP 105.A OD1 no hydrogen 2.949 N/A ARG 107.A NE ASP 105.A OD2 no hydrogen 2.673 N/A LEU 109.A N ASP 101.A O no hydrogen 2.757 N/A ARG 110.A N ASP 101.A O no hydrogen 3.385 N/A ARG 110.A NE GLY 111.A O no hydrogen 2.722 N/A ARG 110.A NH1 GLU 127.A OE2 no hydrogen 2.843 N/A ARG 110.A NH2 LEU 125.A O no hydrogen 3.350 N/A HIS 112.A N GLY 99.A O no hydrogen 2.700 N/A HIS 112.A NE2 ASP 101.A OD2 no hydrogen 3.042 N/A GLN 114.A N MET 97.A O no hydrogen 3.028 N/A SER 115.A N ILE 123.A O no hydrogen 2.985 N/A SER 115.A OG ILE 123.A O no hydrogen 3.175 N/A ALA 116.A N GLN 95.A O no hydrogen 2.805 N/A TYR 117.A N LYS 120.A O no hydrogen 2.866 N/A TYR 117.A OH GLN 86.A OE1 no hydrogen 2.943 N/A ASP 118.A N ILE 93.A O no hydrogen 2.963 N/A LYS 120.A N TYR 117.A O no hydrogen 3.123 N/A TYR 122.A N SER 115.A O no hydrogen 2.861 N/A TYR 122.A OH THR 142.A OG1 no hydrogen 2.417 N/A ALA 124.A N THR 133.A O no hydrogen 3.079 N/A LEU 125.A N ASP 113.A O no hydrogen 2.795 N/A ASN 126.A N SER 131.A O no hydrogen 2.922 N/A ASN 126.A ND2 SER 131.A OG no hydrogen 3.075 N/A LEU 129.A N ASN 126.A O no hydrogen 2.770 N/A SER 130.A N ASP 128.A OD1 no hydrogen 2.797 N/A SER 131.A N ASP 128.A OD1 no hydrogen 2.880 N/A SER 131.A OG ASP 128.A OD1 no hydrogen 3.023 N/A SER 131.A OG ASP 128.A OD2 no hydrogen 2.622 N/A THR 133.A N ALA 124.A O no hydrogen 2.818 N/A THR 133.A OG1 ASN 126.A OD1 no hydrogen 2.533 N/A ALA 135.A N TYR 122.A O no hydrogen 2.744 N/A ALA 139.A N ASP 136.A OD1 no hydrogen 2.756 N/A GLN 140.A N ASP 136.A O no hydrogen 3.002 N/A GLN 140.A N THR 137.A O no hydrogen 3.101 N/A ILE 141.A N THR 137.A O no hydrogen 3.331 N/A ILE 141.A N ALA 138.A O no hydrogen 3.183 N/A THR 142.A OG1 TYR 122.A OH no hydrogen 2.417 N/A GLN 143.A N ALA 139.A O no hydrogen 2.947 N/A GLN 143.A NE2 GLU 147.A OE2 no hydrogen 3.386 N/A ARG 144.A N GLN 140.A O no hydrogen 3.062 N/A LYS 145.A N ILE 141.A O no hydrogen 3.153 N/A LYS 145.A NZ TYR 83.A OH no hydrogen 3.079 N/A TRP 146.A N THR 142.A O no hydrogen 2.814 N/A GLU 147.A N GLN 143.A O no hydrogen 3.048 N/A ALA 149.A N LYS 145.A O no hydrogen 3.159 N/A ARG 150.A N GLU 147.A O no hydrogen 3.335 N/A VAL 151.A N TRP 146.A O no hydrogen 3.067 N/A LEU 155.A N VAL 151.A O no hydrogen 2.906 N/A ARG 156.A N ALA 152.A O no hydrogen 2.818 N/A ARG 156.A NE GLU 160.A OE2 no hydrogen 3.155 N/A ALA 157.A N GLU 153.A O no hydrogen 2.862 N/A TYR 158.A N GLN 154.A O no hydrogen 3.299 N/A LEU 159.A N LEU 155.A O no hydrogen 2.955 N/A GLU 160.A N ARG 156.A O no hydrogen 3.003 N/A CYS 163.A N TYR 158.A O no hydrogen 3.008 N/A GLU 165.A N GLY 161.A O no hydrogen 3.161 N/A TRP 166.A N LEU 162.A O no hydrogen 2.757 N/A LEU 167.A N CYS 163.A O no hydrogen 2.955 N/A ARG 168.A N VAL 164.A O no hydrogen 2.885 N/A ARG 168.A NE GLY 106.A O no hydrogen 2.456 N/A ARG 168.A NH2 GLY 106.A O no hydrogen 2.713 N/A ARG 169.A N GLU 165.A O no hydrogen 3.170 N/A ARG 169.A NE GLU 54.A OE1 no hydrogen 2.985 N/A ARG 169.A NH2 GLU 54.A OE1 no hydrogen 3.195 N/A ARG 169.A NH2 GLU 54.A OE2 no hydrogen 3.240 N/A TYR 170.A N TRP 166.A O no hydrogen 2.839 N/A LEU 171.A N LEU 167.A O no hydrogen 2.947 N/A GLU 172.A N ARG 168.A O no hydrogen 3.264 N/A ASN 173.A N ARG 169.A O no hydrogen 2.913 N/A GLY 174.A N TYR 170.A O no hydrogen 3.034 N/A LYS 175.A N GLU 172.A O no hydrogen 3.277 N/A THR 177.A N GLY 174.A O no hydrogen 3.191 N/A THR 177.A OG1 GLY 174.A O no hydrogen 3.307 N/A LEU 178.A N GLY 174.A O no hydrogen 2.763 N/A GLN 179.A N LYS 175.A O no hydrogen 3.280 N/A GLN 179.A NE2 LEU 171.A O no hydrogen 2.956 N/A ARG 180.A N THR 177.A O no hydrogen 3.474 N/A ARG 180.A NE ASP 182.A OD1 no hydrogen 3.252 N/A LYS 185.A N LEU 205.A O no hydrogen 2.659 N/A HIS 187.A N TRP 203.A O no hydrogen 3.320 N/A THR 189.A N ARG 201.A O no hydrogen 2.927 N/A HIS 191.A N THR 199.A O no hydrogen 3.144 N/A SER 194.A N GLU 197.A O no hydrogen 3.489 N/A GLU 197.A N SER 194.A OG no hydrogen 3.276 N/A ALA 198.A N VAL 248.A O no hydrogen 2.923 N/A THR 199.A N HIS 191.A O no hydrogen 2.965 N/A LEU 200.A N VAL 246.A O no hydrogen 2.802 N/A ARG 201.A N THR 189.A O no hydrogen 3.314 N/A CYS 202.A N ALA 244.A O no hydrogen 2.754 N/A TRP 203.A N HIS 187.A O no hydrogen 2.785 N/A ALA 204.A N LYS 242.A O no hydrogen 2.962 N/A LEU 205.A N LYS 185.A O no hydrogen 3.374 N/A PHE 207.A N PHE 240.A O no hydrogen 3.429 N/A TYR 208.A N ASP 182.A O no hydrogen 3.057 N/A TYR 208.A OH THR 30.A OG1 no hydrogen 2.583 N/A ALA 210.A N ASP 29.A OD2 no hydrogen 2.775 N/A THR 213.A N GLN 261.A O no hydrogen 3.316 N/A THR 215.A N HIS 259.A O no hydrogen 3.142 N/A TRP 216.A NE1 ALA 244.A O no hydrogen 3.105 N/A GLN 217.A N THR 257.A O no hydrogen 2.864 N/A GLN 217.A NE2 ASP 222.A OD1 no hydrogen 3.119 N/A ARG 218.A N GLU 221.A O no hydrogen 2.759 N/A ASP 219.A N ARG 255.A O no hydrogen 2.919 N/A GLU 221.A N ARG 218.A O no hydrogen 3.145 N/A GLN 223.A N TRP 216.A O no hydrogen 3.025 N/A GLN 223.A NE2 GLU 221.A O no hydrogen 3.118 N/A ASP 226.A N GLN 223.A O no hydrogen 3.078 N/A THR 227.A N GLN 223.A O no hydrogen 2.884 N/A THR 227.A OG1 GLN 223.A O no hydrogen 2.866 N/A GLU 228.A N ALA 245.A O no hydrogen 2.607 N/A VAL 230.A N TRP 243.A O no hydrogen 3.379 N/A ARG 233.A N GLN 241.A O no hydrogen 3.038 N/A ARG 233.A NE GLN 241.A OE1 no hydrogen 2.910 N/A ARG 233.A NH2 GLN 241.A OE1 no hydrogen 3.029 N/A ALA 235.A N THR 239.A O no hydrogen 2.718 N/A ARG 238.A NH2 ARG 47.A O no hydrogen 2.654 N/A THR 239.A N ASP 237.A OD1 no hydrogen 3.051 N/A THR 239.A OG1 ASP 237.A OD1 no hydrogen 2.441 N/A PHE 240.A N PHE 207.A O no hydrogen 2.940 N/A GLN 241.A N ARG 233.A O no hydrogen 2.739 N/A LYS 242.A N ALA 204.A O no hydrogen 3.096 N/A LYS 242.A NZ VAL 230.A O no hydrogen 2.667 N/A LYS 242.A NZ THR 232.A OG1 no hydrogen 3.012 N/A ALA 244.A N CYS 202.A O no hydrogen 3.129 N/A ALA 245.A N GLU 228.A O no hydrogen 2.875 N/A VAL 246.A N LEU 200.A O no hydrogen 2.844 N/A VAL 248.A N ALA 198.A O no hydrogen 2.826 N/A SER 250.A N HIS 196.A O no hydrogen 3.377 N/A SER 250.A OG ASP 195.A O no hydrogen 3.241 N/A SER 250.A OG HIS 196.A O no hydrogen 2.973 N/A GLY 251.A N GLU 253.A OE1 no hydrogen 2.759 N/A GLY 251.A N GLU 253.A OE2 no hydrogen 3.175 N/A GLU 252.A N PRO 249.A O no hydrogen 2.926 N/A GLU 253.A N GLU 253.A OE1 no hydrogen 2.702 N/A GLN 254.A NE2 TRP 273.A O no hydrogen 3.443 N/A ARG 255.A N GLU 252.A O no hydrogen 3.064 N/A ARG 255.A NE ASP 219.A OD1 no hydrogen 2.949 N/A ARG 255.A NE ASP 219.A OD2 no hydrogen 3.238 N/A ARG 255.A NH2 ASP 219.A OD1 no hydrogen 2.516 N/A TYR 256.A N GLU 253.A O no hydrogen 2.772 N/A THR 257.A N GLN 217.A O no hydrogen 3.017 N/A THR 257.A OG1 HIS 259.A NE2 no hydrogen 2.737 N/A CYS 258.A N LEU 271.A O no hydrogen 2.920 N/A HIS 259.A N THR 215.A O no hydrogen 2.788 N/A HIS 259.A NE2 THR 257.A OG1 no hydrogen 2.737 N/A VAL 260.A N LEU 269.A O no hydrogen 3.035 N/A GLN 261.A N THR 213.A O no hydrogen 3.136 N/A HIS 262.A NE2 PRO 209.A O no hydrogen 2.778 N/A GLY 264.A N HIS 262.A ND1 no hydrogen 3.070 N/A LEU 265.A N HIS 262.A O no hydrogen 3.205 N/A LEU 269.A N VAL 260.A O no hydrogen 2.959 N/A LEU 271.A N CYS 258.A O no hydrogen 2.815 N/A