Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2nrt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N GLY 46.A O no hydrogen 2.810 N/A LEU 7.A N ARG 3.A O no hydrogen 2.756 N/A GLU 8.A N LYS 4.A O no hydrogen 2.913 N/A GLU 9.A N GLU 5.A O no hydrogen 3.196 N/A LEU 10.A N ALA 6.A O no hydrogen 2.786 N/A MET 11.A N LEU 7.A O no hydrogen 2.962 N/A LYS 12.A N GLU 8.A O no hydrogen 3.198 N/A LEU 13.A N GLU 9.A O no hydrogen 3.027 N/A LEU 14.A N LEU 10.A O no hydrogen 3.021 N/A ASN 15.A N LYS 12.A O no hydrogen 2.980 N/A MET 16.A N MET 11.A O no hydrogen 2.921 N/A TYR 21.A N PHE 19.A O no hydrogen 2.776 N/A ARG 22.A N ASN 84.A OD1 no hydrogen 2.893 N/A ARG 22.A NE GLU 24.A OE2 no hydrogen 2.821 N/A ARG 22.A NH1 ASP 52.A OD2 no hydrogen 3.254 N/A ARG 22.A NH2 GLU 24.A OE2 no hydrogen 3.313 N/A ARG 22.A NH2 ASP 52.A OD2 no hydrogen 2.987 N/A ILE 23.A N PHE 43.A O no hydrogen 2.933 N/A GLU 24.A N LEU 85.A O no hydrogen 3.052 N/A GLY 25.A N VAL 41.A O no hydrogen 2.938 N/A ILE 26.A N PHE 87.A O no hydrogen 2.959 N/A ASP 27.A N SER 39.A O no hydrogen 2.916 N/A SER 29.A N VAL 37.A O no hydrogen 2.993 N/A SER 29.A OG ASP 27.A OD2 no hydrogen 2.677 N/A HIS 30.A ND1 THR 36.A OG1 no hydrogen 2.742 N/A HIS 30.A NE2 ASP 61.A O no hydrogen 2.830 N/A LEU 31.A N TYR 35.A O no hydrogen 2.825 N/A GLN 32.A NE2 HIS 62.A ND1 no hydrogen 3.439 N/A GLY 33.A N ASP 61.A O no hydrogen 2.891 N/A LYS 34.A N LEU 31.A O no hydrogen 2.977 N/A TYR 35.A N LEU 31.A O no hydrogen 3.099 N/A TYR 35.A OH TYR 154.A OH no hydrogen 2.599 N/A THR 36.A N ILE 58.A O no hydrogen 2.843 N/A THR 36.A OG1 HIS 30.A ND1 no hydrogen 2.742 N/A VAL 37.A N SER 29.A O no hydrogen 2.764 N/A ALA 38.A N TYR 56.A O no hydrogen 2.763 N/A SER 39.A N ASP 27.A O no hydrogen 2.879 N/A LEU 40.A N ARG 54.A O no hydrogen 2.827 N/A VAL 41.A N GLY 25.A O no hydrogen 2.901 N/A PHE 43.A N ILE 23.A O no hydrogen 2.809 N/A GLU 44.A N PHE 47.A O no hydrogen 2.783 N/A ASP 45.A N TYR 21.A O no hydrogen 2.783 N/A PHE 47.A N GLU 44.A O no hydrogen 2.982 N/A LYS 49.A N VAL 42.A O no hydrogen 2.895 N/A LYS 49.A NZ GLU 44.A OE1 no hydrogen 3.314 N/A LYS 49.A NZ GLU 44.A OE2 no hydrogen 2.802 N/A LYS 50.A NZ GLU 146.A OE2 no hydrogen 3.285 N/A ASP 52.A N LYS 49.A O no hydrogen 3.017 N/A TYR 53.A N LYS 50.A O no hydrogen 3.157 N/A TYR 53.A OH GLU 146.A OE2 no hydrogen 2.570 N/A ARG 54.A N LEU 40.A O no hydrogen 3.078 N/A ARG 54.A NH1 GLY 51.A O no hydrogen 2.906 N/A ARG 54.A NH1 TYR 53.A O no hydrogen 2.804 N/A ARG 55.A NH1 SER 39.A OG no hydrogen 2.960 N/A ARG 55.A NH1 PHE 150.A O no hydrogen 2.896 N/A ARG 55.A NH2 PHE 150.A O no hydrogen 3.549 N/A ARG 55.A NH2 SER 153.A OG no hydrogen 3.144 N/A TYR 56.A N ALA 38.A O no hydrogen 2.830 N/A ILE 58.A N THR 36.A O no hydrogen 2.867 N/A GLN 60.A N LYS 34.A O no hydrogen 3.348 N/A GLN 60.A NE2 THR 36.A OG1 no hydrogen 2.922 N/A GLN 60.A NE2 SER 68.A OG no hydrogen 3.029 N/A GLU 67.A N ASP 64.A OD1 no hydrogen 3.276 N/A SER 68.A N ASP 64.A O no hydrogen 2.886 N/A SER 68.A OG ASP 64.A O no hydrogen 2.985 N/A ILE 69.A N ASP 65.A O no hydrogen 2.923 N/A ARG 70.A N TYR 66.A O no hydrogen 3.055 N/A THR 71.A N GLU 67.A O no hydrogen 2.926 N/A THR 71.A OG1 GLU 67.A O no hydrogen 2.951 N/A VAL 72.A N SER 68.A O no hydrogen 2.956 N/A VAL 73.A N ILE 69.A O no hydrogen 3.028 N/A LYS 74.A N ARG 70.A O no hydrogen 3.035 N/A ARG 75.A N THR 71.A O no hydrogen 2.895 N/A ARG 75.A NH1 LYS 57.A O no hydrogen 2.742 N/A ARG 76.A N VAL 72.A O no hydrogen 2.846 N/A ARG 76.A NE GLU 24.A OE1 no hydrogen 2.858 N/A ARG 76.A NH1 TYR 56.A OH no hydrogen 2.964 N/A ARG 76.A NH2 GLU 24.A OE1 no hydrogen 3.387 N/A ARG 76.A NH2 GLU 24.A OE2 no hydrogen 2.998 N/A TYR 77.A N VAL 73.A O no hydrogen 2.971 N/A TYR 77.A OH GLU 24.A OE1 no hydrogen 2.586 N/A SER 78.A N LYS 74.A O no hydrogen 3.231 N/A SER 78.A OG LYS 74.A O no hydrogen 3.074 N/A SER 78.A OG ARG 75.A O no hydrogen 2.869 N/A LYS 79.A N ARG 76.A O no hydrogen 3.055 N/A HIS 80.A N ARG 76.A O no hydrogen 2.804 N/A ASN 84.A N ARG 22.A O no hydrogen 2.841 N/A LEU 85.A N ARG 22.A O no hydrogen 3.328 N/A LEU 86.A N PRO 110.A O no hydrogen 2.987 N/A PHE 87.A N GLU 24.A O no hydrogen 2.781 N/A VAL 88.A N VAL 112.A O no hydrogen 2.929 N/A ASP 89.A N ILE 26.A O no hydrogen 3.267 N/A GLY 90.A N VAL 88.A O no hydrogen 2.980 N/A GLN 94.A N GLN 94.A OE1 no hydrogen 2.889 N/A VAL 95.A N GLY 91.A O no hydrogen 2.934 N/A ASN 96.A N ILE 92.A O no hydrogen 2.902 N/A ASN 96.A ND2 ASN 125.A OD1 no hydrogen 3.044 N/A ALA 97.A N GLY 93.A O no hydrogen 3.029 N/A ALA 98.A N GLN 94.A O no hydrogen 3.117 N/A ILE 99.A N VAL 95.A O no hydrogen 3.000 N/A GLU 100.A N ASN 96.A O no hydrogen 2.973 N/A ALA 101.A N ALA 97.A O no hydrogen 3.064 N/A LEU 102.A N ALA 98.A O no hydrogen 2.938 N/A LYS 103.A N ILE 99.A O no hydrogen 2.955 N/A LYS 103.A NZ GLU 100.A OE2 no hydrogen 3.360 N/A GLU 104.A N GLU 100.A O no hydrogen 3.057 N/A ILE 105.A N ALA 101.A O no hydrogen 3.259 N/A ILE 105.A N LEU 102.A O no hydrogen 3.285 N/A GLY 106.A N LYS 103.A O no hydrogen 3.194 N/A LYS 107.A N LEU 102.A O no hydrogen 2.936 N/A LYS 107.A NZ TYR 77.A O no hydrogen 2.938 N/A CYS 109.A SG PRO 83.A O no hydrogen 3.827 N/A CYS 109.A SG PRO 110.A O no hydrogen 3.479 N/A VAL 112.A N LEU 86.A O no hydrogen 2.864 N/A GLY 113.A N VAL 122.A O no hydrogen 2.920 N/A ALA 115.A N THR 120.A O no hydrogen 2.779 N/A GLU 119.A N ALA 115.A O no hydrogen 3.292 N/A THR 120.A OG1 HIS 129.A ND1 no hydrogen 2.798 N/A VAL 121.A N ILE 128.A O no hydrogen 2.970 N/A VAL 122.A N GLY 113.A O no hydrogen 2.922 N/A PHE 123.A N ARG 126.A O no hydrogen 2.991 N/A ARG 126.A N PHE 123.A O no hydrogen 3.000 N/A ILE 128.A N VAL 121.A O no hydrogen 2.725 N/A HIS 134.A N PRO 131.A O no hydrogen 2.996 N/A VAL 136.A N HIS 134.A ND1 no hydrogen 3.067 N/A ARG 138.A N HIS 134.A O no hydrogen 3.040 N/A ARG 138.A NE HIS 132.A O no hydrogen 3.332 N/A ARG 138.A NH2 GLU 119.A OE1 no hydrogen 3.309 N/A ARG 138.A NH2 HIS 132.A O no hydrogen 3.393 N/A LEU 139.A N PRO 135.A O no hydrogen 2.987 N/A LEU 140.A N VAL 136.A O no hydrogen 2.970 N/A VAL 141.A N LEU 137.A O no hydrogen 2.987 N/A GLN 142.A N ARG 138.A O no hydrogen 3.013 N/A GLN 142.A NE2 GLY 1.A O no hydrogen 2.979 N/A ILE 143.A N LEU 139.A O no hydrogen 3.079 N/A ARG 144.A N LEU 140.A O no hydrogen 2.901 N/A ARG 144.A NE ASP 145.A OD1 no hydrogen 3.382 N/A ARG 144.A NH1 GLU 119.A OE2 no hydrogen 2.974 N/A ARG 144.A NH2 ASP 145.A OD1 no hydrogen 3.092 N/A ASP 145.A N VAL 141.A O no hydrogen 2.798 N/A GLU 146.A N GLN 142.A O no hydrogen 3.134 N/A THR 147.A N ILE 143.A O no hydrogen 2.957 N/A THR 147.A OG1 ARG 144.A O no hydrogen 2.922 N/A HIS 148.A N ARG 144.A O no hydrogen 2.952 N/A HIS 148.A NE2 ASP 89.A OD2 no hydrogen 2.801 N/A ARG 149.A N ASP 145.A O no hydrogen 2.880 N/A ARG 149.A NE.A GLU 146.A OE1 no hydrogen 3.091 N/A ARG 149.A NE.B GLU 146.A OE1 no hydrogen 2.996 N/A ARG 149.A NE.B GLU 146.A OE2 no hydrogen 3.441 N/A ARG 149.A NH2.A GLU 146.A OE1 no hydrogen 2.805 N/A ARG 149.A NH2.B GLU 146.A OE2 no hydrogen 2.793 N/A PHE 150.A N GLU 146.A O no hydrogen 2.990 N/A ALA 151.A N THR 147.A O no hydrogen 2.892 N/A VAL 152.A N HIS 148.A O no hydrogen 2.905 N/A SER 153.A N ARG 149.A O no hydrogen 3.206 N/A SER 153.A N PHE 150.A O no hydrogen 3.189 N/A SER 153.A OG PHE 150.A O no hydrogen 2.695 N/A TYR 154.A N ALA 151.A O no hydrogen 3.052 N/A TYR 154.A OH TYR 35.A OH no hydrogen 2.599 N/A HIS 155.A N VAL 152.A O no hydrogen 3.279 N/A ARG 156.A N SER 153.A O no hydrogen 3.069 N/A ARG 156.A NE GLU 160.A OE2 no hydrogen 2.924 N/A ARG 159.A N HIS 155.A O no hydrogen 2.977 N/A GLU 160.A N ARG 156.A O no hydrogen 2.877 N/A LYS 161.A N LYS 157.A O no hydrogen 3.179 N/A LYS 161.A NZ GLU 184.A OE2 no hydrogen 2.811 N/A GLU 162.A N ARG 158.A O no hydrogen 3.054 N/A SER 163.A N ARG 159.A O no hydrogen 2.939 N/A SER 163.A OG GLU 160.A O no hydrogen 3.113 N/A LEU 164.A N GLU 160.A O no hydrogen 2.971 N/A ARG 165.A N LYS 161.A O no hydrogen 2.893 N/A SER 166.A N GLU 162.A O no hydrogen 3.153 N/A VAL 167.A N SER 163.A O no hydrogen 3.247 N/A LEU 168.A N LEU 164.A O no hydrogen 2.932 N/A ASP 169.A N ARG 165.A O no hydrogen 2.922 N/A ASN 170.A N VAL 167.A O no hydrogen 3.117 N/A VAL 171.A N LEU 168.A O no hydrogen 2.954 N/A ARG 178.A NE ILE 204.A O no hydrogen 2.785 N/A ARG 178.A NH2 ILE 204.A O no hydrogen 3.300 N/A LYS 179.A N GLY 175.A O no hydrogen 3.101 N/A LYS 179.A NZ ASP 169.A OD1 no hydrogen 2.690 N/A LYS 180.A N PRO 176.A O no hydrogen 2.912 N/A LYS 181.A N ILE 177.A O no hydrogen 3.012 N/A LEU 182.A N ARG 178.A O no hydrogen 3.062 N/A ILE 183.A N LYS 179.A O no hydrogen 3.008 N/A GLU 184.A N LYS 180.A O no hydrogen 2.841 N/A HIS 185.A N LYS 181.A O no hydrogen 3.025 N/A PHE 186.A N LEU 182.A O no hydrogen 2.863 N/A GLY 187.A N ILE 183.A O no hydrogen 2.837 N/A SER 188.A N PHE 186.A O no hydrogen 2.833 N/A ASN 191.A N SER 188.A OG no hydrogen 3.299 N/A ILE 192.A N SER 188.A O no hydrogen 3.079 N/A ARG 193.A N LEU 189.A O no hydrogen 2.946 N/A ARG 193.A NE LEU 217.A O.A no hydrogen 3.329 N/A ARG 193.A NH2 LEU 217.A O.A no hydrogen 3.320 N/A SER 194.A N ASN 191.A O no hydrogen 3.146 N/A SER 194.A OG ASN 191.A O no hydrogen 2.730 N/A ALA 195.A N ILE 192.A O no hydrogen 3.342 N/A SER 196.A N GLU 199.A OE1 no hydrogen 2.925 N/A GLU 199.A N SER 196.A OG no hydrogen 2.985 N/A ILE 200.A N SER 196.A O no hydrogen 2.999 N/A ALA 201.A N LEU 197.A O no hydrogen 2.812 N/A ARG 202.A N GLU 198.A O no hydrogen 2.942 N/A VAL 203.A N GLU 199.A O no hydrogen 3.267 N/A ILE 204.A N ILE 200.A O no hydrogen 3.346 N/A ILE 204.A N ALA 201.A O no hydrogen 3.266 N/A SER 206.A N ALA 201.A O no hydrogen 3.131 N/A ILE 209.A N SER 206.A OG no hydrogen 3.095 N/A ALA 210.A N SER 206.A O no hydrogen 2.954 N/A ARG 211.A N THR 207.A O no hydrogen 2.828 N/A ARG 212.A N GLU 208.A O no hydrogen 3.414 N/A ARG 212.A NE PRO 172.A O no hydrogen 2.792 N/A ARG 212.A NH2 PRO 172.A O no hydrogen 3.084 N/A ARG 212.A NH2 GLY 173.A O no hydrogen 3.282 N/A VAL 213.A N ILE 209.A O no hydrogen 2.997 N/A LEU 214.A N ALA 210.A O no hydrogen 2.994 N/A ASP 215.A N ARG 211.A O no hydrogen 2.922 N/A ILE 216.A N ARG 212.A O no hydrogen 3.086 N/A LEU 217.A N VAL 213.A O no hydrogen 2.953 N/A