Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1b0r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N ASP 29.A OD1 no hydrogen 3.193 N/A MET 5.A N CYS 101.A O no hydrogen 3.046 N/A ARG 6.A N TYR 27.A O no hydrogen 3.020 N/A ARG 6.A NE TYR 113.A OH no hydrogen 2.549 N/A ARG 6.A NH2 ASP 102.A OD2 no hydrogen 3.404 N/A ARG 6.A NH2 TYR 113.A OH no hydrogen 2.694 N/A TYR 7.A N TYR 99.A O no hydrogen 2.876 N/A PHE 8.A N VAL 25.A O no hydrogen 3.140 N/A PHE 9.A N ARG 97.A O no hydrogen 2.870 N/A THR 10.A N ILE 23.A O no hydrogen 3.123 N/A SER 11.A N VAL 95.A O no hydrogen 2.783 N/A SER 11.A OG ARG 21.A O no hydrogen 2.949 N/A VAL 12.A N ARG 21.A O no hydrogen 2.882 N/A SER 13.A N HIS 93.A O no hydrogen 3.081 N/A SER 13.A OG HIS 93.A O no hydrogen 3.124 N/A ARG 14.A NH1 ASP 39.A OD1 no hydrogen 2.923 N/A ARG 17.A N ARG 14.A O no hydrogen 3.327 N/A ARG 21.A N VAL 12.A O no hydrogen 2.760 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.030 N/A ILE 23.A N THR 10.A O no hydrogen 2.971 N/A ALA 24.A N PHE 36.A O no hydrogen 3.077 N/A VAL 25.A N PHE 8.A O no hydrogen 3.211 N/A GLY 26.A N VAL 34.A O no hydrogen 2.836 N/A TYR 27.A N ARG 6.A O no hydrogen 2.962 N/A TYR 27.A OH GLN 32.A OE1 no hydrogen 3.408 N/A VAL 28.A N THR 31.A O no hydrogen 2.804 N/A ASP 29.A N SER 4.A O no hydrogen 2.894 N/A THR 31.A N VAL 28.A O no hydrogen 2.763 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 3.092 N/A GLN 32.A NE2 VAL 34.A O no hydrogen 3.444 N/A PHE 33.A N GLY 26.A O no hydrogen 2.780 N/A ARG 35.A N GLU 46.A O no hydrogen 3.029 N/A SER 38.A N PHE 22.A O no hydrogen 2.759 N/A SER 38.A OG PRO 20.A O no hydrogen 2.950 N/A SER 38.A OG ASP 39.A OD1 no hydrogen 3.373 N/A ALA 40.A N ASP 37.A O no hydrogen 3.025 N/A SER 42.A OG GLU 46.A OE2 no hydrogen 2.855 N/A ARG 44.A NH2 ASP 61.A OD1 no hydrogen 2.761 N/A MET 45.A N THR 64.A OG1 no hydrogen 2.767 N/A GLU 46.A N ARG 35.A O no hydrogen 2.985 N/A ARG 48.A N PHE 33.A O no hydrogen 2.784 N/A ILE 52.A N ALA 49.A O no hydrogen 2.960 N/A GLU 53.A N PRO 50.A O no hydrogen 2.952 N/A GLU 55.A N ILE 52.A O no hydrogen 3.029 N/A TYR 59.A N GLY 56.A O no hydrogen 3.040 N/A TYR 59.A OH TYR 171.A OH no hydrogen 3.147 N/A TRP 60.A N GLY 56.A O no hydrogen 3.292 N/A ASP 61.A N PRO 57.A O no hydrogen 2.659 N/A GLY 62.A N GLU 58.A O no hydrogen 3.017 N/A GLU 63.A N TYR 59.A O no hydrogen 2.758 N/A THR 64.A N TRP 60.A O no hydrogen 2.911 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.626 N/A ARG 65.A N ASP 61.A O no hydrogen 2.918 N/A LYS 66.A N GLY 62.A O no hydrogen 2.895 N/A VAL 67.A N GLU 63.A O no hydrogen 2.626 N/A LYS 68.A N THR 64.A O no hydrogen 3.148 N/A LYS 68.A NZ GLN 43.A O no hydrogen 3.157 N/A ALA 69.A N ARG 65.A O no hydrogen 3.283 N/A HIS 70.A N LYS 66.A O no hydrogen 3.142 N/A HIS 70.A ND1 LYS 66.A O no hydrogen 2.403 N/A HIS 70.A NE2 TYR 99.A OH no hydrogen 2.888 N/A SER 71.A N VAL 67.A O no hydrogen 2.992 N/A GLN 72.A N LYS 68.A O no hydrogen 2.937 N/A THR 73.A N ALA 69.A O no hydrogen 2.816 N/A THR 73.A OG1 ALA 69.A O no hydrogen 2.964 N/A HIS 74.A N HIS 70.A O no hydrogen 2.933 N/A ARG 75.A N SER 71.A O no hydrogen 2.985 N/A ARG 75.A N GLN 72.A O no hydrogen 3.028 N/A VAL 76.A N GLN 72.A O no hydrogen 3.086 N/A ASP 77.A N THR 73.A O no hydrogen 2.984 N/A GLY 79.A N ARG 75.A O no hydrogen 3.309 N/A THR 80.A N VAL 76.A O no hydrogen 2.860 N/A THR 80.A OG1 VAL 76.A O no hydrogen 3.378 N/A LEU 81.A N ASP 77.A O no hydrogen 2.550 N/A ARG 82.A N LEU 78.A O no hydrogen 2.872 N/A ARG 82.A N GLY 79.A O no hydrogen 3.094 N/A ARG 82.A NH1 GLN 87.A O no hydrogen 3.424 N/A GLY 83.A N GLY 79.A O no hydrogen 3.263 N/A TYR 84.A N THR 80.A O no hydrogen 3.220 N/A TYR 85.A N LEU 81.A O no hydrogen 3.314 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 2.754 N/A ASN 86.A N GLY 83.A O no hydrogen 2.980 N/A GLN 87.A N ARG 82.A O no hydrogen 2.908 N/A ALA 90.A N SER 88.A OG no hydrogen 3.236 N/A SER 92.A OG SER 13.A O no hydrogen 2.458 N/A HIS 93.A N SER 13.A OG no hydrogen 2.592 N/A THR 94.A N ASP 119.A OD1 no hydrogen 2.882 N/A VAL 95.A N SER 11.A O no hydrogen 2.882 N/A GLN 96.A N ALA 117.A O no hydrogen 3.139 N/A ARG 97.A N PHE 9.A O no hydrogen 2.960 N/A MET 98.A N GLN 115.A O no hydrogen 3.206 N/A TYR 99.A N TYR 7.A O no hydrogen 3.211 N/A TYR 99.A OH HIS 70.A NE2 no hydrogen 2.888 N/A GLY 100.A N TYR 113.A O no hydrogen 3.175 N/A CYS 101.A N MET 5.A O no hydrogen 3.097 N/A ASP 102.A N ARG 111.A O no hydrogen 2.982 N/A VAL 103.A N HIS 3.A O no hydrogen 2.797 N/A GLY 104.A N ARG 108.A O no hydrogen 2.840 N/A ARG 108.A N ASP 106.A O no hydrogen 2.753 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 3.201 N/A LEU 110.A N ASP 102.A O no hydrogen 2.781 N/A ARG 111.A N ASP 102.A O no hydrogen 3.436 N/A ARG 111.A NE ASP 102.A OD2 no hydrogen 3.352 N/A TYR 113.A N GLY 100.A O no hydrogen 3.295 N/A TYR 113.A OH ASP 102.A OD1 no hydrogen 2.656 N/A TYR 116.A N ILE 124.A O no hydrogen 2.806 N/A TYR 116.A OH ASP 77.A OD2 no hydrogen 2.750 N/A ALA 117.A N GLN 96.A O no hydrogen 2.841 N/A TYR 118.A N LYS 121.A O no hydrogen 2.894 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.714 N/A ASP 119.A N THR 94.A O no hydrogen 2.850 N/A LYS 121.A N TYR 118.A O no hydrogen 3.071 N/A TYR 123.A N TYR 116.A O no hydrogen 3.071 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.677 N/A ILE 124.A N TYR 116.A O no hydrogen 3.402 N/A ALA 125.A N THR 134.A O no hydrogen 2.914 N/A LYS 127.A N SER 132.A O no hydrogen 2.745 N/A LEU 130.A N LYS 127.A O no hydrogen 2.624 N/A SER 132.A N ASP 129.A OD2 no hydrogen 3.034 N/A SER 132.A OG ASP 129.A OD2 no hydrogen 2.613 N/A THR 134.A N ALA 125.A O no hydrogen 2.684 N/A ALA 136.A N TYR 123.A O no hydrogen 2.866 N/A GLN 141.A N ASP 137.A O no hydrogen 3.200 N/A GLN 141.A N MET 138.A O no hydrogen 3.198 N/A THR 142.A N ALA 139.A O no hydrogen 2.815 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.677 N/A LYS 144.A N ALA 140.A O no hydrogen 3.121 N/A LYS 144.A NZ TRP 133.A O no hydrogen 3.324 N/A HIS 145.A N GLN 141.A O no hydrogen 2.718 N/A LYS 146.A N THR 142.A O no hydrogen 2.872 N/A TRP 147.A N THR 143.A O no hydrogen 2.925 N/A GLU 148.A N LYS 144.A O no hydrogen 2.786 N/A GLU 148.A N HIS 145.A O no hydrogen 2.713 N/A ALA 149.A N HIS 145.A O no hydrogen 3.015 N/A ALA 149.A N LYS 146.A O no hydrogen 2.839 N/A ALA 150.A N LYS 146.A O no hydrogen 3.214 N/A VAL 152.A N TRP 147.A O no hydrogen 3.193 N/A GLN 155.A N VAL 152.A O no hydrogen 2.807 N/A LEU 156.A N VAL 152.A O no hydrogen 3.136 N/A ARG 157.A N ALA 153.A O no hydrogen 3.147 N/A ARG 157.A NH1 ASP 129.A O no hydrogen 3.024 N/A TYR 159.A N LEU 156.A O no hydrogen 2.468 N/A LEU 160.A N LEU 156.A O no hydrogen 3.064 N/A GLU 161.A N ARG 157.A O no hydrogen 3.033 N/A GLY 162.A N ALA 158.A O no hydrogen 3.049 N/A CYS 164.A N TYR 159.A O no hydrogen 2.778 N/A GLU 166.A N GLY 162.A O no hydrogen 3.200 N/A TRP 167.A N THR 163.A O no hydrogen 3.102 N/A LEU 168.A N CYS 164.A O no hydrogen 2.854 N/A ARG 169.A N VAL 165.A O no hydrogen 2.781 N/A ARG 169.A NE TRP 107.A O no hydrogen 3.112 N/A ARG 170.A N GLU 166.A O no hydrogen 2.865 N/A ARG 170.A NH2 GLU 55.A OE1 no hydrogen 2.848 N/A ARG 170.A NH2 GLU 55.A OE2 no hydrogen 3.452 N/A TYR 171.A N TRP 167.A O no hydrogen 3.018 N/A TYR 171.A OH TYR 59.A OH no hydrogen 3.147 N/A LEU 172.A N LEU 168.A O no hydrogen 2.910 N/A GLU 173.A N ARG 169.A O no hydrogen 3.143 N/A ASN 174.A N ARG 170.A O no hydrogen 3.149 N/A ASN 174.A ND2 ARG 170.A O no hydrogen 2.692 N/A GLY 175.A N TYR 171.A O no hydrogen 2.877 N/A LYS 176.A N GLU 173.A O no hydrogen 2.943 N/A THR 178.A N GLY 175.A O no hydrogen 2.831 N/A THR 178.A OG1 GLY 175.A O no hydrogen 2.786 N/A LEU 179.A N GLY 175.A O no hydrogen 3.134 N/A GLN 180.A N LYS 176.A O no hydrogen 2.795 N/A ARG 181.A NE GLN 180.A O no hydrogen 2.955 N/A THR 182.A OG1 GLU 258.A OE2 no hydrogen 3.445 N/A ASP 183.A N TYR 209.A O no hydrogen 2.677 N/A LYS 186.A N LEU 206.A O no hydrogen 2.708 N/A HIS 188.A N TRP 204.A O no hydrogen 3.022 N/A THR 190.A N ARG 202.A O no hydrogen 2.848 N/A HIS 191.A NE2 GLU 248.A OE2 no hydrogen 3.134 N/A HIS 192.A N THR 200.A O no hydrogen 2.884 N/A VAL 194.A N GLU 198.A O no hydrogen 2.774 N/A SER 195.A N GLU 198.A O no hydrogen 3.158 N/A HIS 197.A ND1 ASP 196.A OD1 no hydrogen 2.944 N/A ALA 199.A N VAL 243.A O no hydrogen 2.935 N/A THR 200.A N HIS 192.A O no hydrogen 2.475 N/A LEU 201.A N VAL 241.A O no hydrogen 2.863 N/A ARG 202.A N THR 190.A O no hydrogen 3.155 N/A CYS 203.A N ALA 239.A O no hydrogen 2.711 N/A TRP 204.A N HIS 188.A O no hydrogen 2.762 N/A ALA 205.A N LYS 237.A O no hydrogen 2.941 N/A LEU 206.A N LYS 186.A O no hydrogen 3.028 N/A PHE 208.A N PHE 235.A O no hydrogen 3.231 N/A TYR 209.A N ASP 183.A O no hydrogen 3.079 N/A ALA 211.A N ASP 30.A OD2 no hydrogen 3.128 N/A THR 214.A N GLN 256.A O no hydrogen 2.982 N/A THR 216.A N HIS 254.A O no hydrogen 2.938 N/A GLU 223.A N ALA 240.A O no hydrogen 2.964 N/A VAL 225.A N TRP 238.A O no hydrogen 3.332 N/A ARG 228.A N GLN 236.A O no hydrogen 2.733 N/A ARG 228.A NE GLN 236.A OE1 no hydrogen 2.863 N/A ARG 228.A NH2 GLN 236.A OE1 no hydrogen 3.079 N/A ALA 230.A N THR 234.A O no hydrogen 2.890 N/A THR 234.A N ASP 232.A OD1 no hydrogen 3.215 N/A THR 234.A OG1 ASP 232.A OD1 no hydrogen 2.626 N/A PHE 235.A N PHE 208.A O no hydrogen 2.662 N/A GLN 236.A N ARG 228.A O no hydrogen 2.674 N/A LYS 237.A N ALA 205.A O no hydrogen 3.035 N/A ALA 239.A N CYS 203.A O no hydrogen 2.835 N/A ALA 240.A N GLU 223.A O no hydrogen 2.853 N/A VAL 241.A N LEU 201.A O no hydrogen 2.828 N/A VAL 243.A N ALA 199.A O no hydrogen 2.678 N/A ARG 250.A N GLN 247.A O no hydrogen 3.245 N/A THR 252.A N GLN 218.A O no hydrogen 3.113 N/A THR 252.A OG1 GLN 218.A O no hydrogen 3.398 N/A THR 252.A OG1 HIS 254.A NE2 no hydrogen 2.708 N/A CYS 253.A N LEU 266.A O no hydrogen 2.996 N/A HIS 254.A N THR 216.A O no hydrogen 2.693 N/A HIS 254.A NE2 THR 252.A OG1 no hydrogen 2.708 N/A VAL 255.A N LEU 264.A O no hydrogen 2.890 N/A GLN 256.A N THR 214.A O no hydrogen 3.118 N/A HIS 257.A ND1 GLU 212.A O no hydrogen 2.787 N/A HIS 257.A NE2 TYR 209.A O no hydrogen 3.044 N/A LEU 260.A N HIS 257.A O no hydrogen 2.805 N/A LEU 264.A N VAL 255.A O no hydrogen 3.353 N/A THR 265.A OG1 HIS 254.A ND1 no hydrogen 2.787 N/A LEU 266.A N CYS 253.A O no hydrogen 3.047 N/A