Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2aru_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N ASP 215.A O no hydrogen 2.828 N/A ARG 4.A N PRO 34.A O no hydrogen 2.845 N/A ARG 4.A NH1 ASP 219.A OD1 no hydrogen 2.788 N/A ARG 4.A NH2 GLU 225.A OE1 no hydrogen 2.930 N/A LEU 5.A N ARG 217.A O no hydrogen 3.075 N/A LEU 6.A N LEU 36.A O no hydrogen 2.847 N/A ASN 13.A N THR 10.A O no hydrogen 2.960 N/A THR 14.A OG1 SER 44.A OG no hydrogen 2.848 N/A ARG 15.A NE LEU 69.A O no hydrogen 2.941 N/A ARG 15.A NH2 LEU 69.A O no hydrogen 2.770 N/A MET 16.A N ASN 13.A OD1 no hydrogen 3.025 N/A SER 17.A N ASN 13.A O no hydrogen 3.241 N/A LEU 18.A N THR 14.A O no hydrogen 3.039 N/A ALA 19.A N ARG 15.A O no hydrogen 3.200 N/A TYR 20.A N MET 16.A O no hydrogen 3.051 N/A TYR 20.A OH GLU 226.A OE1 no hydrogen 2.977 N/A TYR 20.A OH GLU 226.A OE2 no hydrogen 3.151 N/A ASP 21.A N SER 17.A O no hydrogen 3.465 N/A GLU 22.A N LEU 18.A O no hydrogen 3.216 N/A ALA 23.A N ALA 19.A O no hydrogen 2.909 N/A ILE 24.A N TYR 20.A O no hydrogen 2.875 N/A TYR 25.A N ASP 21.A O no hydrogen 2.969 N/A ARG 26.A N GLU 22.A O no hydrogen 2.720 N/A ARG 26.A NH1 GLU 22.A OE1 no hydrogen 2.882 N/A SER 27.A N ALA 23.A O no hydrogen 2.975 N/A GLN 29.A N ASP 32.A OD2 no hydrogen 2.927 N/A TYR 30.A OH ASP 95.A OD1 no hydrogen 3.053 N/A TYR 30.A OH ASP 95.A OD2 no hydrogen 3.071 N/A GLY 31.A N SER 93.A OG no hydrogen 2.771 N/A ASP 32.A N GLN 29.A O no hydrogen 3.014 N/A ILE 35.A N VAL 91.A O no hydrogen 2.753 N/A LEU 36.A N ARG 4.A O no hydrogen 2.799 N/A ARG 37.A N SER 89.A O no hydrogen 2.802 N/A ARG 37.A NE LEU 8.A O no hydrogen 2.766 N/A ARG 37.A NH1 SER 17.A O no hydrogen 2.862 N/A ARG 37.A NH1 ASP 21.A OD1 no hydrogen 2.766 N/A ARG 37.A NH2 LEU 8.A O no hydrogen 2.767 N/A ARG 37.A NH2 SER 17.A OG no hydrogen 3.070 N/A PHE 38.A N LEU 6.A O no hydrogen 3.038 N/A TYR 39.A N ASN 87.A O no hydrogen 2.953 N/A ARG 40.A NE GLU 9.A OE2 no hydrogen 2.689 N/A ARG 40.A NH2 GLU 9.A OE1 no hydrogen 2.659 N/A ARG 40.A NH2 GLU 9.A OE2 no hydrogen 3.417 N/A ARG 43.A N ASP 42.A OD1 no hydrogen 2.447 N/A ARG 43.A NH2 ASN 65.A O no hydrogen 2.640 N/A SER 44.A N HIS 81.A O no hydrogen 3.021 N/A SER 44.A OG THR 14.A OG1 no hydrogen 2.848 N/A SER 44.A OG ASP 42.A O no hydrogen 2.802 N/A VAL 45.A N MET 68.A O no hydrogen 2.718 N/A ILE 46.A N VAL 79.A O no hydrogen 2.957 N/A ILE 47.A N ALA 70.A O no hydrogen 3.091 N/A GLY 48.A N GLN 51.A OE1 no hydrogen 2.961 N/A TYR 49.A N THR 74.A O no hydrogen 2.935 N/A GLN 51.A N GLY 48.A O no hydrogen 3.150 N/A ALA 53.A N MET 244.A O no hydrogen 3.391 N/A GLU 56.A N ALA 53.A O no hydrogen 3.438 N/A VAL 57.A N ALA 53.A O no hydrogen 3.429 N/A ASP 60.A N ASP 58.A OD1 no hydrogen 3.062 N/A TYR 61.A N ASP 58.A OD2 no hydrogen 2.508 N/A MET 62.A N ASP 58.A O no hydrogen 3.280 N/A LYS 63.A N LEU 59.A O no hydrogen 3.167 N/A LYS 63.A N ASP 60.A O no hydrogen 2.938 N/A LYS 64.A N ASP 60.A O no hydrogen 2.888 N/A LYS 64.A NZ ASP 60.A OD2 no hydrogen 3.546 N/A ASN 65.A N TYR 61.A O no hydrogen 3.026 N/A ILE 67.A N MET 62.A O no hydrogen 2.865 N/A MET 68.A N ARG 43.A O no hydrogen 3.074 N/A ALA 70.A N VAL 45.A O no hydrogen 2.986 N/A ARG 71.A N ASN 243.A OD1 no hydrogen 3.181 N/A ARG 71.A NE TYR 49.A O no hydrogen 2.989 N/A ARG 71.A NH1 TRP 242.A O no hydrogen 2.734 N/A ARG 71.A NH2 TYR 49.A O no hydrogen 2.895 N/A ARG 72.A N ILE 47.A O no hydrogen 3.073 N/A ARG 72.A NE THR 74.A OG1 no hydrogen 3.075 N/A ARG 72.A NE GLY 75.A O no hydrogen 3.331 N/A ARG 72.A NH1 ILE 46.A O no hydrogen 3.363 N/A ARG 72.A NH1 GLY 77.A O no hydrogen 3.267 N/A ARG 72.A NH2 GLY 75.A O no hydrogen 2.964 N/A ARG 72.A NH2 GLY 77.A O no hydrogen 2.681 N/A THR 74.A OG1 GLY 75.A O no hydrogen 3.536 N/A THR 74.A OG1 HIS 161.A NE2 no hydrogen 2.647 N/A VAL 79.A N ILE 46.A O no hydrogen 2.942 N/A HIS 81.A N SER 44.A O no hydrogen 2.906 N/A GLY 84.A N ASP 82.A OD1 no hydrogen 2.465 N/A ASP 85.A N ASP 82.A O no hydrogen 2.717 N/A LEU 86.A N MET 164.A O no hydrogen 2.852 N/A ASN 87.A N TYR 39.A O no hydrogen 2.995 N/A ASN 87.A ND2 ALA 162.A O no hydrogen 3.478 N/A PHE 88.A N ALA 162.A O no hydrogen 3.018 N/A SER 89.A N ARG 37.A O no hydrogen 2.844 N/A SER 89.A OG ASP 21.A OD1 no hydrogen 3.109 N/A SER 89.A OG ASP 21.A OD2 no hydrogen 3.490 N/A VAL 90.A N TRP 160.A O no hydrogen 2.600 N/A VAL 91.A N ILE 35.A O no hydrogen 2.886 N/A ARG 92.A N LYS 158.A O no hydrogen 3.438 N/A SER 94.A N GLY 156.A O no hydrogen 3.223 N/A SER 94.A OG ASP 96.A O no hydrogen 2.718 N/A SER 101.A N ASP 98.A OD1 no hydrogen 2.955 N/A SER 101.A OG ASP 98.A OD2 no hydrogen 3.057 N/A PHE 103.A N ILE 99.A O no hydrogen 3.246 N/A ARG 104.A N THR 100.A O no hydrogen 3.021 N/A THR 105.A N SER 101.A O no hydrogen 2.852 N/A THR 105.A OG1 SER 101.A O no hydrogen 3.073 N/A MET 106.A N MET 102.A O no hydrogen 2.925 N/A ASN 107.A N PHE 103.A O no hydrogen 2.919 N/A ASN 107.A ND2 LYS 136.A O no hydrogen 2.904 N/A GLU 108.A N ARG 104.A O no hydrogen 3.073 N/A ALA 109.A N THR 105.A O no hydrogen 3.007 N/A VAL 110.A N MET 106.A O no hydrogen 2.978 N/A VAL 111.A N ASN 107.A O no hydrogen 2.973 N/A ASN 112.A N GLU 108.A O no hydrogen 3.167 N/A ASN 112.A ND2 THR 211.A OG1 no hydrogen 2.682 N/A SER 113.A N ALA 109.A O no hydrogen 3.069 N/A SER 113.A OG ALA 109.A O no hydrogen 2.610 N/A LEU 114.A N VAL 110.A O no hydrogen 2.975 N/A ARG 115.A N VAL 111.A O no hydrogen 3.009 N/A LEU 117.A N LEU 114.A O no hydrogen 2.953 N/A GLY 118.A N ARG 115.A O no hydrogen 2.638 N/A LEU 119.A N LEU 114.A O no hydrogen 2.883 N/A ARG 122.A N MET 140.A O no hydrogen 2.765 N/A ARG 122.A NE GLY 142.A O no hydrogen 3.436 N/A ARG 122.A NH2 GLY 142.A O no hydrogen 3.350 N/A GLY 124.A N ASP 138.A O no hydrogen 2.908 N/A LEU 126.A N ASN 134.A O no hydrogen 2.994 N/A SER 130.A N ASP 128.A OD1 no hydrogen 2.828 N/A SER 130.A OG ASP 128.A OD1 no hydrogen 2.507 N/A LYS 135.A N ASP 138.A OD2 no hydrogen 3.015 N/A LYS 135.A NZ ILE 131.A O no hydrogen 3.348 N/A LYS 135.A NZ ASP 138.A OD1 no hydrogen 3.229 N/A LYS 135.A NZ ASP 138.A OD2 no hydrogen 2.654 N/A LYS 136.A N LEU 126.A O no hydrogen 2.861 N/A LYS 136.A NZ GLU 125.A O no hydrogen 2.793 N/A ASP 138.A N LYS 135.A O no hydrogen 2.854 N/A ILE 139.A N MET 147.A O no hydrogen 3.067 N/A MET 140.A N ARG 122.A O no hydrogen 2.493 N/A ALA 141.A N LYS 144.A O no hydrogen 2.918 N/A LYS 144.A N ALA 141.A O no hydrogen 3.280 N/A LYS 144.A NZ GLU 184.A O no hydrogen 3.371 N/A LYS 145.A N ARG 185.A O no hydrogen 2.729 N/A LYS 145.A NZ ASP 138.A OD1 no hydrogen 2.814 N/A ILE 146.A N ILE 139.A O no hydrogen 3.130 N/A GLY 148.A N ALA 163.A O no hydrogen 2.937 N/A ALA 150.A N HIS 161.A O no hydrogen 3.147 N/A ALA 152.A N LEU 159.A O no hydrogen 2.909 N/A ARG 154.A N ALA 157.A O no hydrogen 2.799 N/A ARG 154.A NH2 TYR 25.A O no hydrogen 2.848 N/A ARG 154.A NH2 PHE 28.A O no hydrogen 2.744 N/A ALA 157.A N ARG 154.A O no hydrogen 2.866 N/A LYS 158.A N ARG 92.A O no hydrogen 3.240 N/A LEU 159.A N ALA 152.A O no hydrogen 2.648 N/A TRP 160.A N VAL 90.A O no hydrogen 3.026 N/A HIS 161.A N ALA 150.A O no hydrogen 3.067 N/A HIS 161.A NE2 THR 74.A OG1 no hydrogen 2.647 N/A ALA 162.A N PHE 88.A O no hydrogen 2.638 N/A ALA 163.A N GLY 148.A O no hydrogen 2.843 N/A MET 164.A N LEU 86.A O no hydrogen 3.208 N/A LEU 165.A N ILE 146.A O no hydrogen 2.773 N/A VAL 166.A N GLY 84.A O no hydrogen 2.989 N/A HIS 167.A N GLY 84.A O no hydrogen 2.935 N/A THR 168.A OG1 ASP 82.A OD1 no hydrogen 3.059 N/A ASP 169.A N ASP 82.A OD2 no hydrogen 3.017 N/A MET 172.A N ASP 169.A OD1 no hydrogen 2.601 N/A LEU 173.A N ASP 169.A O no hydrogen 2.901 N/A SER 174.A N LEU 170.A O no hydrogen 3.104 N/A SER 174.A OG LEU 170.A O no hydrogen 2.839 N/A ALA 175.A N ASP 171.A O no hydrogen 2.848 N/A VAL 176.A N MET 172.A O no hydrogen 2.976 N/A LEU 177.A N LEU 173.A O no hydrogen 3.260 N/A LYS 178.A N GLU 56.A O no hydrogen 2.795 N/A LYS 178.A NZ VAL 57.A O no hydrogen 3.067 N/A GLU 184.A N SER 181.A OG no hydrogen 3.343 N/A ARG 185.A N THR 182.A O no hydrogen 2.433 N/A ALA 187.A N LYS 145.A O no hydrogen 3.015 N/A ASN 188.A N ASP 191.A OD2 no hydrogen 2.846 N/A ASN 188.A ND2 THR 168.A O no hydrogen 3.356 N/A VAL 189.A N LEU 165.A O no hydrogen 2.635 N/A THR 190.A N VAL 166.A O no hydrogen 3.158 N/A THR 190.A OG1 VAL 166.A O no hydrogen 2.744 N/A ASP 191.A N ASN 188.A O no hydrogen 2.889 N/A PHE 192.A N VAL 189.A O no hydrogen 3.109 N/A VAL 193.A N VAL 189.A O no hydrogen 3.090 N/A SER 196.A N GLU 199.A OE1 no hydrogen 3.071 N/A SER 196.A OG GLU 199.A OE1 no hydrogen 3.504 N/A GLU 199.A N SER 196.A OG no hydrogen 3.248 N/A VAL 200.A N SER 196.A O no hydrogen 3.218 N/A ARG 201.A N ILE 197.A O no hydrogen 2.847 N/A ASN 202.A N ASP 198.A O no hydrogen 2.562 N/A ALA 203.A N GLU 199.A O no hydrogen 2.933 N/A LEU 204.A N VAL 200.A O no hydrogen 2.980 N/A ILE 205.A N ARG 201.A O no hydrogen 2.913 N/A ARG 206.A N ASN 202.A O no hydrogen 3.170 N/A GLY 207.A N ALA 203.A O no hydrogen 2.899 N/A PHE 208.A N LEU 204.A O no hydrogen 2.821 N/A SER 209.A N ILE 205.A O no hydrogen 3.002 N/A SER 209.A OG ILE 205.A O no hydrogen 2.803 N/A SER 209.A OG ILE 214.A O no hydrogen 3.120 N/A GLU 210.A N ARG 206.A O no hydrogen 2.710 N/A THR 211.A N GLY 207.A O no hydrogen 2.835 N/A THR 211.A OG1 GLY 207.A O no hydrogen 2.842 N/A LEU 212.A N PHE 208.A O no hydrogen 2.896 N/A HIS 213.A ND1 THR 211.A O no hydrogen 3.281 N/A ILE 214.A N SER 209.A O no hydrogen 3.019 N/A ASP 215.A N MET 1.A O no hydrogen 2.737 N/A ARG 217.A N GLY 3.A O no hydrogen 2.819 N/A ARG 217.A NH1 GLU 2.A OE2 no hydrogen 3.087 N/A ASP 219.A N LEU 5.A O no hydrogen 2.903 N/A THR 220.A OG1 ILE 221.A O no hydrogen 3.310 N/A THR 222.A N GLU 225.A OE1 no hydrogen 3.030 N/A GLU 225.A N THR 222.A OG1 no hydrogen 3.096 N/A GLU 226.A N THR 222.A O no hydrogen 2.676 N/A SER 227.A N GLU 223.A O no hydrogen 2.833 N/A SER 227.A OG GLU 223.A O no hydrogen 2.628 N/A LEU 228.A N LYS 224.A O no hydrogen 3.098 N/A ALA 229.A N GLU 225.A O no hydrogen 3.068 N/A ARG 230.A N GLU 226.A O no hydrogen 2.986 N/A ARG 230.A NH1 ASP 234.A OD2 no hydrogen 2.910 N/A GLU 231.A N SER 227.A O no hydrogen 2.822 N/A LEU 232.A N LEU 228.A O no hydrogen 2.749 N/A PHE 233.A N ALA 229.A O no hydrogen 2.784 N/A ASP 234.A N ARG 230.A O no hydrogen 2.824 N/A LYS 235.A N GLU 231.A O no hydrogen 3.060 N/A LYS 236.A N PHE 233.A O no hydrogen 3.265 N/A LYS 236.A NZ GLU 22.A OE1 no hydrogen 2.952 N/A LYS 236.A NZ GLU 22.A OE2 no hydrogen 2.846 N/A TYR 237.A N LEU 232.A O no hydrogen 3.184 N/A TYR 237.A OH GLU 22.A OE2 no hydrogen 2.452 N/A SER 238.A N PHE 233.A O no hydrogen 3.024 N/A SER 238.A OG PHE 233.A O no hydrogen 3.039 N/A SER 238.A OG ASP 234.A O no hydrogen 3.490 N/A THR 239.A N LYS 236.A O no hydrogen 2.862 N/A THR 239.A OG1 LYS 236.A O no hydrogen 2.473 N/A GLU 241.A N GLU 241.A OE1 no hydrogen 2.669 N/A TRP 242.A NE1 ARG 71.A O no hydrogen 2.934 N/A ASN 243.A N THR 239.A O no hydrogen 3.259 N/A ASN 243.A ND2 TYR 237.A O no hydrogen 2.880 N/A ASN 243.A ND2 THR 239.A O no hydrogen 2.738 N/A MET 244.A N GLU 240.A O no hydrogen 2.828 N/A LEU 246.A N GLU 241.A O no hydrogen 2.709 N/A LEU 247.A N GLU 241.A O no hydrogen 2.653 N/A