Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1u2t_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N TYR 36.A OH no hydrogen 3.231 N/A ARG 2.A NH1 PHE 35.A O no hydrogen 2.727 N/A LEU 4.A N ASN 34.A O no hydrogen 3.226 N/A LEU 5.A N GLN 180.A O no hydrogen 2.948 N/A LEU 6.A N TYR 36.A O no hydrogen 2.780 N/A ILE 7.A N LEU 182.A O no hydrogen 2.870 N/A SER 8.A N ALA 38.A O no hydrogen 2.982 N/A SER 8.A OG ASP 9.A O no hydrogen 2.790 N/A ASP 9.A N CYS 184.A O no hydrogen 3.160 N/A ASN 12.A ND2 ASP 186.A OD1 no hydrogen 3.267 N/A THR 13.A N LEU 10.A O no hydrogen 2.909 N/A THR 13.A OG1 ASP 9.A OD2 no hydrogen 3.015 N/A TRP 14.A N ASP 9.A O no hydrogen 3.099 N/A TRP 14.A NE1 GLN 25.A OE1 no hydrogen 3.174 N/A VAL 15.A N LEU 10.A O no hydrogen 2.854 N/A GLN 18.A NE2 VAL 55.A O no hydrogen 3.116 N/A ALA 20.A N ASP 17.A OD1 no hydrogen 2.745 N/A LEU 21.A N ASP 17.A O no hydrogen 2.985 N/A GLU 22.A N GLN 18.A O no hydrogen 2.845 N/A HIS 23.A N GLN 19.A O no hydrogen 3.001 N/A LEU 24.A N ALA 20.A O no hydrogen 2.865 N/A GLN 25.A N LEU 21.A O no hydrogen 3.022 N/A GLN 25.A NE2 GLY 56.A O no hydrogen 3.105 N/A GLU 26.A N GLU 22.A O no hydrogen 2.886 N/A TYR 27.A N HIS 23.A O no hydrogen 3.178 N/A LEU 28.A N LEU 24.A O no hydrogen 3.037 N/A GLY 29.A N GLU 26.A O no hydrogen 3.243 N/A ASP 30.A N TYR 27.A O no hydrogen 3.219 N/A ARG 31.A NE TYR 27.A O no hydrogen 3.032 N/A ARG 32.A NH1 ARG 32.A O no hydrogen 2.643 N/A ARG 32.A NH1 PHE 35.A O no hydrogen 3.049 N/A ARG 32.A NH2 GLU 59.A O no hydrogen 3.473 N/A ARG 32.A NH2 ASP 61.A OD2 no hydrogen 2.856 N/A ASN 34.A N ARG 31.A O no hydrogen 3.020 N/A TYR 36.A N LEU 4.A O no hydrogen 2.776 N/A LEU 37.A N ASP 61.A OD2 no hydrogen 2.957 N/A ALA 38.A N LEU 6.A O no hydrogen 2.907 N/A TYR 39.A N TYR 62.A O no hydrogen 3.265 N/A TYR 39.A OH MET 58.A O no hydrogen 2.802 N/A ALA 40.A N SER 8.A O no hydrogen 2.814 N/A THR 41.A N LEU 64.A O no hydrogen 2.961 N/A ARG 43.A N THR 41.A OG1 no hydrogen 3.149 N/A SER 47.A N SER 44.A OG no hydrogen 3.255 N/A ALA 48.A N SER 44.A O no hydrogen 2.915 N/A ALA 48.A N TYR 45.A O no hydrogen 3.177 N/A ARG 49.A N TYR 45.A O no hydrogen 3.011 N/A ARG 49.A NH2 GLU 59.A OE2 no hydrogen 2.971 N/A GLU 50.A N HIS 46.A O no hydrogen 3.158 N/A LEU 51.A N SER 47.A O no hydrogen 3.344 N/A GLN 52.A N ALA 48.A O no hydrogen 3.058 N/A GLN 52.A NE2 LEU 57.A O no hydrogen 3.557 N/A GLN 52.A NE2 GLU 59.A OE1 no hydrogen 3.008 N/A LYS 53.A N ARG 49.A O no hydrogen 3.150 N/A LYS 53.A N GLU 50.A O no hydrogen 2.862 N/A GLN 54.A N GLU 50.A O no hydrogen 3.000 N/A VAL 55.A N LEU 51.A O no hydrogen 2.889 N/A LEU 57.A N GLN 52.A O no hydrogen 2.977 N/A MET 58.A N GLN 25.A OE1 no hydrogen 2.779 N/A ASP 61.A N LEU 37.A O no hydrogen 2.773 N/A TYR 62.A N LEU 37.A O no hydrogen 3.105 N/A TRP 63.A N TYR 72.A O no hydrogen 3.161 N/A LEU 64.A N TYR 39.A O no hydrogen 2.707 N/A THR 65.A N GLU 70.A O no hydrogen 2.877 N/A THR 65.A OG1 GLU 70.A O no hydrogen 3.478 N/A ALA 66.A N ARG 43.A O no hydrogen 2.741 N/A VAL 67.A N THR 41.A O no hydrogen 2.676 N/A SER 69.A N ALA 66.A O no hydrogen 3.216 N/A SER 69.A OG ALA 66.A O no hydrogen 2.967 N/A GLU 70.A N THR 65.A O no hydrogen 3.173 N/A TYR 72.A N TRP 63.A O no hydrogen 2.876 N/A TYR 72.A OH GLU 70.A OE1 no hydrogen 2.605 N/A HIS 73.A N GLY 76.A O no hydrogen 2.722 N/A HIS 73.A NE2 ASP 78.A OD2 no hydrogen 2.674 N/A ASP 78.A N ILE 71.A O no hydrogen 2.941 N/A GLN 79.A NE2 ASP 83.A OD2 no hydrogen 2.707 N/A HIS 80.A N ASP 78.A OD1 no hydrogen 2.890 N/A TRP 81.A N ASP 78.A OD1 no hydrogen 2.913 N/A TRP 81.A NE1 GLY 68.A O no hydrogen 2.899 N/A ALA 82.A N ASP 78.A O no hydrogen 3.271 N/A ASP 83.A N GLN 79.A O no hydrogen 3.064 N/A TYR 84.A N HIS 80.A O no hydrogen 2.830 N/A LEU 85.A N TRP 81.A O no hydrogen 2.956 N/A SER 86.A N ALA 82.A O no hydrogen 2.800 N/A SER 86.A OG ALA 82.A O no hydrogen 2.663 N/A TRP 89.A N SER 86.A O no hydrogen 3.451 N/A TRP 89.A NE1 PRO 114.A O no hydrogen 2.935 N/A ARG 91.A NE ASN 113.A O no hydrogen 2.810 N/A ARG 91.A NH2 GLN 112.A OE1 no hydrogen 3.381 N/A ARG 91.A NH2 LYS 116.A O no hydrogen 3.045 N/A LEU 94.A N GLN 90.A O no hydrogen 3.316 N/A GLN 95.A N ARG 91.A O no hydrogen 2.956 N/A ALA 96.A N ASP 92.A O no hydrogen 3.011 N/A ILE 97.A N ILE 93.A O no hydrogen 3.109 N/A ALA 98.A N LEU 94.A O no hydrogen 2.878 N/A ASP 99.A N GLN 95.A O no hydrogen 2.662 N/A GLY 100.A N ALA 96.A O no hydrogen 3.300 N/A PHE 101.A N ALA 98.A O no hydrogen 3.130 N/A LEU 104.A N PHE 101.A O no hydrogen 3.303 N/A LYS 105.A N HIS 120.A O no hydrogen 3.003 N/A GLN 107.A N SER 118.A O no hydrogen 2.992 N/A GLN 107.A NE2 TYR 119.A O no hydrogen 2.786 N/A GLU 111.A N SER 108.A O no hydrogen 2.891 N/A GLN 112.A N PRO 109.A O no hydrogen 2.737 N/A GLN 112.A NE2 SER 108.A O no hydrogen 3.175 N/A GLN 112.A NE2 SER 118.A O no hydrogen 3.252 N/A ASN 113.A N LYS 116.A O no hydrogen 3.112 N/A ASN 113.A ND2 SER 69.A OG no hydrogen 3.016 N/A TRP 115.A N ASN 113.A OD1 no hydrogen 2.635 N/A TRP 115.A NE1 SER 86.A OG no hydrogen 2.722 N/A LYS 116.A N ASN 113.A O no hydrogen 2.965 N/A LYS 116.A NZ GLU 111.A O no hydrogen 2.842 N/A LYS 116.A NZ SER 118.A OG no hydrogen 2.620 N/A ILE 117.A N LEU 156.A O no hydrogen 3.279 N/A SER 118.A N GLN 112.A OE1 no hydrogen 2.812 N/A SER 118.A OG ASP 155.A OD1 no hydrogen 2.440 N/A TYR 119.A N VAL 154.A O no hydrogen 2.841 N/A TYR 119.A OH ASP 99.A OD1 no hydrogen 2.868 N/A HIS 120.A N LYS 105.A O no hydrogen 2.715 N/A LEU 121.A N LYS 152.A O no hydrogen 2.677 N/A ASP 122.A N ALA 103.A O no hydrogen 2.965 N/A GLN 124.A N ASP 122.A OD1 no hydrogen 2.562 N/A ALA 125.A N ASP 122.A O no hydrogen 2.830 N/A CYS 126.A SG THR 128.A OG1 no hydrogen 3.050 N/A VAL 129.A N CYS 126.A O no hydrogen 2.830 N/A ILE 130.A N PRO 127.A O no hydrogen 3.026 N/A GLN 132.A N THR 128.A O no hydrogen 3.121 N/A LEU 133.A N VAL 129.A O no hydrogen 2.809 N/A THR 134.A N ILE 130.A O no hydrogen 2.702 N/A THR 134.A OG1 ILE 130.A O no hydrogen 3.009 N/A GLU 135.A N ASP 131.A O no hydrogen 3.112 N/A MET 136.A N GLN 132.A O no hydrogen 2.907 N/A LEU 137.A N LEU 133.A O no hydrogen 2.897 N/A LYS 138.A N THR 134.A O no hydrogen 2.827 N/A GLU 139.A N GLU 135.A O no hydrogen 3.025 N/A THR 140.A N LEU 137.A O no hydrogen 2.977 N/A THR 140.A OG1 LEU 137.A O no hydrogen 2.701 N/A GLY 141.A N LYS 138.A O no hydrogen 3.058 N/A ILE 142.A N THR 140.A OG1 no hydrogen 3.133 N/A GLN 145.A N LEU 157.A O no hydrogen 2.671 N/A GLN 145.A NE2 PRO 158.A O no hydrogen 2.818 N/A GLN 145.A NE2 SER 161.A O no hydrogen 3.323 N/A ILE 147.A N ASP 155.A O no hydrogen 2.673 N/A SER 149.A N ASP 153.A O no hydrogen 3.007 N/A SER 150.A N GLU 209.A OE1 no hydrogen 3.368 N/A LYS 152.A N SER 149.A O no hydrogen 3.179 N/A LYS 152.A NZ ASP 153.A OD1 no hydrogen 2.813 N/A LYS 152.A NZ ASP 153.A OD2 no hydrogen 2.977 N/A ASP 153.A N SER 149.A O no hydrogen 3.039 N/A VAL 154.A N TYR 119.A O no hydrogen 3.035 N/A ASP 155.A N ILE 147.A O no hydrogen 2.681 N/A LEU 156.A N ILE 117.A O no hydrogen 2.799 N/A LEU 157.A N GLN 145.A O no hydrogen 2.928 N/A GLN 159.A N PRO 143.A O no hydrogen 2.919 N/A GLN 159.A NE2 GLN 159.A O no hydrogen 3.147 N/A ARG 160.A NE TYR 84.A O no hydrogen 3.336 N/A ARG 160.A NH1 TYR 84.A O no hydrogen 3.237 N/A ARG 160.A NH1 GLU 87.A OE2 no hydrogen 2.755 N/A SER 161.A N PRO 158.A O no hydrogen 3.013 N/A ASN 162.A N SER 161.A OG no hydrogen 2.614 N/A LYS 163.A NZ ASP 9.A OD1 no hydrogen 2.604 N/A LYS 163.A NZ ALA 40.A O no hydrogen 2.988 N/A LYS 163.A NZ ASN 189.A OD1 no hydrogen 2.874 N/A LYS 163.A NZ ASP 190.A OD2 no hydrogen 2.866 N/A ASN 165.A ND2 SER 161.A O no hydrogen 2.694 N/A ALA 166.A N ASN 162.A O no hydrogen 3.026 N/A THR 167.A N LYS 163.A O no hydrogen 2.967 N/A THR 167.A OG1 LYS 163.A O no hydrogen 2.946 N/A GLN 168.A N GLY 164.A O no hydrogen 2.869 N/A TYR 169.A N ASN 165.A O no hydrogen 2.833 N/A TYR 169.A OH ASP 78.A OD2 no hydrogen 2.911 N/A LEU 170.A N ALA 166.A O no hydrogen 3.013 N/A GLN 171.A N THR 167.A O no hydrogen 2.824 N/A GLN 172.A N GLN 168.A O no hydrogen 3.053 N/A HIS 173.A N TYR 169.A O no hydrogen 2.955 N/A LEU 174.A N LEU 170.A O no hydrogen 2.886 N/A ALA 175.A N GLN 172.A O no hydrogen 3.124 N/A MET 176.A N GLN 171.A O no hydrogen 2.882 N/A GLU 177.A N GLN 180.A OE1 no hydrogen 3.021 N/A GLN 180.A N GLU 177.A O no hydrogen 2.713 N/A THR 181.A N PRO 178.A O no hydrogen 2.967 N/A THR 181.A OG1 GLN 171.A OE1 no hydrogen 2.981 N/A THR 181.A OG1 GLU 177.A O no hydrogen 3.090 N/A LEU 182.A N LEU 5.A O no hydrogen 3.160 N/A VAL 183.A N ARG 199.A O no hydrogen 2.749 N/A CYS 184.A N ILE 7.A O no hydrogen 2.898 N/A CYS 184.A SG ILE 7.A O no hydrogen 3.710 N/A GLY 185.A N VAL 201.A O no hydrogen 3.265 N/A ASP 186.A N ASP 190.A OD1 no hydrogen 2.526 N/A SER 187.A N ASP 190.A OD1 no hydrogen 3.048 N/A ASP 190.A N SER 187.A O no hydrogen 3.073 N/A ILE 191.A N GLY 188.A O no hydrogen 3.344 N/A LEU 193.A N ASP 190.A O no hydrogen 2.763 N/A PHE 194.A N ASP 190.A O no hydrogen 3.449 N/A GLU 195.A N ILE 191.A O no hydrogen 3.002 N/A THR 196.A N LEU 193.A O no hydrogen 2.972 N/A ARG 199.A N THR 181.A O no hydrogen 2.901 N/A GLY 200.A N ARG 221.A O no hydrogen 2.829 N/A VAL 201.A N VAL 183.A O no hydrogen 2.782 N/A ILE 202.A N TYR 223.A O no hydrogen 2.881 N/A VAL 203.A N GLY 185.A O no hydrogen 3.296 N/A ARG 204.A N SER 227.A O no hydrogen 2.823 N/A ASN 205.A ND2 ASN 12.A O no hydrogen 3.041 N/A ALA 206.A N VAL 203.A O no hydrogen 3.005 N/A GLN 207.A N ASP 186.A O no hydrogen 2.654 N/A LEU 211.A N GLN 207.A O no hydrogen 3.148 N/A HIS 212.A N PRO 208.A O no hydrogen 2.748 N/A TRP 213.A N GLU 209.A O no hydrogen 2.835 N/A TYR 214.A N LEU 210.A O no hydrogen 2.785 N/A ASP 215.A N LEU 211.A O no hydrogen 3.098 N/A GLN 216.A N TRP 213.A O no hydrogen 2.981 N/A TRP 217.A N TRP 213.A O no hydrogen 2.757 N/A GLY 218.A N TYR 214.A O no hydrogen 2.577 N/A ASP 219.A N HIS 222.A ND1 no hydrogen 2.831 N/A SER 220.A N ASP 219.A OD1 no hydrogen 2.755 N/A ARG 221.A NE THR 196.A O no hydrogen 2.765 N/A ARG 221.A NH2 THR 196.A O no hydrogen 2.991 N/A HIS 222.A N ASP 219.A O no hydrogen 3.444 N/A TYR 223.A N GLY 200.A O no hydrogen 2.854 N/A TYR 223.A OH GLU 235.A OE1 no hydrogen 2.558 N/A ALA 225.A N ILE 202.A O no hydrogen 3.041 N/A GLN 226.A N GLU 235.A OE1 no hydrogen 2.715 N/A GLN 226.A N GLU 235.A OE2 no hydrogen 3.118 N/A SER 227.A N GLU 235.A OE2 no hydrogen 2.851 N/A SER 227.A OG GLU 235.A OE2 no hydrogen 2.707 N/A SER 228.A OG HIS 229.A ND1 no hydrogen 3.301 N/A HIS 229.A N ASN 205.A OD1 no hydrogen 3.068 N/A ALA 232.A N HIS 229.A O no hydrogen 2.735 N/A LEU 234.A N ALA 230.A O no hydrogen 3.271 N/A GLU 235.A N GLY 231.A O no hydrogen 2.964 N/A ALA 236.A N ALA 232.A O no hydrogen 2.781 N/A ILE 237.A N ILE 233.A O no hydrogen 3.104 N/A ALA 238.A N LEU 234.A O no hydrogen 3.105 N/A HIS 239.A N GLU 235.A O no hydrogen 2.924 N/A PHE 240.A N ALA 236.A O no hydrogen 2.902 N/A ASP 241.A N ALA 238.A O no hydrogen 3.346 N/A PHE 242.A N ILE 237.A O no hydrogen 2.784 N/A SER 244.A OG ASP 241.A O no hydrogen 3.533 N/A