Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1u3r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N SER 2.A OG no hydrogen 3.255 N/A LEU 6.A N SER 2.A O no hydrogen 2.892 N/A VAL 7.A N PRO 3.A O no hydrogen 2.931 N/A LEU 8.A N GLU 4.A O no hydrogen 3.056 N/A THR 9.A N GLN 5.A O no hydrogen 3.197 N/A THR 9.A OG1 LEU 6.A O no hydrogen 2.468 N/A LEU 10.A N LEU 6.A O no hydrogen 3.144 N/A LEU 11.A N VAL 7.A O no hydrogen 3.022 N/A GLU 12.A N LEU 8.A O no hydrogen 2.992 N/A ALA 13.A N LEU 10.A O no hydrogen 3.160 N/A GLU 14.A N LEU 11.A O no hydrogen 3.339 N/A ILE 20.A N ASP 97.A OD1 no hydrogen 3.239 N/A ARG 22.A N ASP 97.A OD2 no hydrogen 3.271 N/A ARG 22.A NH1 ALA 25.A O no hydrogen 3.256 N/A ARG 22.A NH2 ALA 25.A O no hydrogen 2.623 N/A THR 28.A N SER 31.A OG no hydrogen 2.856 N/A THR 28.A OG1 SER 31.A OG no hydrogen 2.966 N/A SER 31.A N THR 28.A OG1 no hydrogen 3.160 N/A SER 31.A OG THR 28.A O no hydrogen 3.287 N/A SER 31.A OG THR 28.A OG1 no hydrogen 2.966 N/A MET 32.A N THR 28.A O no hydrogen 2.823 N/A MET 33.A N GLU 29.A O no hydrogen 3.340 N/A MET 34.A N ALA 30.A O no hydrogen 3.004 N/A SER 35.A N SER 31.A O no hydrogen 2.861 N/A SER 35.A OG SER 31.A O no hydrogen 2.761 N/A LEU 36.A N MET 32.A O no hydrogen 2.902 N/A THR 37.A N MET 33.A O no hydrogen 2.929 N/A THR 37.A OG1 MET 33.A O no hydrogen 3.448 N/A THR 37.A OG1 MET 34.A O no hydrogen 3.050 N/A THR 37.A OG1 PRO 217.A O no hydrogen 3.332 N/A LYS 38.A N MET 34.A O no hydrogen 3.026 N/A LYS 38.A NZ ILE 20.A O no hydrogen 3.031 N/A LEU 39.A N SER 35.A O no hydrogen 2.953 N/A ALA 40.A N LEU 36.A O no hydrogen 2.818 N/A ASP 41.A N THR 37.A O no hydrogen 2.982 N/A LYS 42.A N LYS 38.A O no hydrogen 3.175 N/A GLU 43.A N LEU 39.A O no hydrogen 2.885 N/A LEU 44.A N ALA 40.A O no hydrogen 2.909 N/A MET 47.A N GLU 43.A O no hydrogen 2.761 N/A ILE 48.A N LEU 44.A O no hydrogen 3.057 N/A SER 49.A N VAL 45.A O no hydrogen 3.481 N/A SER 49.A OG HIS 46.A O no hydrogen 3.118 N/A TRP 50.A N HIS 46.A O no hydrogen 2.940 N/A ALA 51.A N MET 47.A O no hydrogen 2.918 N/A LYS 52.A N ILE 48.A O no hydrogen 3.277 N/A LYS 53.A N TRP 50.A O no hydrogen 2.953 N/A ILE 54.A N ALA 51.A O no hydrogen 3.098 N/A PHE 57.A N ILE 54.A O no hydrogen 2.872 N/A GLU 59.A N GLY 56.A O no hydrogen 3.004 N/A LEU 60.A N PHE 57.A O no hydrogen 3.093 N/A SER 61.A N SER 153.A OG no hydrogen 2.952 N/A ASP 64.A N SER 61.A O no hydrogen 3.026 N/A ASP 64.A N SER 61.A OG no hydrogen 3.177 N/A GLN 65.A N SER 61.A O no hydrogen 3.110 N/A GLN 65.A NE2 LEU 60.A O no hydrogen 2.939 N/A VAL 66.A N LEU 62.A O no hydrogen 3.185 N/A ARG 67.A N PHE 63.A O no hydrogen 3.136 N/A ARG 67.A NE ASP 64.A OD1 no hydrogen 2.937 N/A ARG 67.A NH1 SER 147.A OG no hydrogen 2.607 N/A ARG 67.A NH2 ASP 64.A OD1 no hydrogen 3.563 N/A LEU 68.A N ASP 64.A O no hydrogen 2.789 N/A LEU 69.A N GLN 65.A O no hydrogen 3.186 N/A GLU 70.A N VAL 66.A O no hydrogen 2.858 N/A SER 71.A N ARG 67.A O no hydrogen 3.150 N/A CYS 72.A N LEU 68.A O no hydrogen 3.047 N/A CYS 72.A SG LEU 68.A O no hydrogen 3.298 N/A TRP 73.A N LEU 69.A O no hydrogen 3.087 N/A TRP 73.A NE1 MET 225.A O no hydrogen 3.150 N/A VAL 76.A N CYS 72.A O no hydrogen 3.022 N/A LEU 77.A N TRP 73.A O no hydrogen 2.961 N/A MET 78.A N MET 74.A O no hydrogen 2.958 N/A MET 79.A N GLU 75.A O no hydrogen 2.935 N/A GLY 80.A N VAL 76.A O no hydrogen 3.168 N/A LEU 81.A N LEU 77.A O no hydrogen 3.011 N/A MET 82.A N MET 78.A O no hydrogen 3.042 N/A TRP 83.A N MET 79.A O no hydrogen 3.137 N/A ARG 84.A N GLY 80.A O no hydrogen 3.013 N/A ARG 84.A NE ILE 93.A O no hydrogen 3.069 N/A ARG 84.A NH2 PHE 94.A O no hydrogen 3.045 N/A SER 85.A N LEU 81.A O no hydrogen 2.877 N/A SER 85.A OG LEU 81.A O no hydrogen 2.653 N/A HIS 88.A N SER 85.A O no hydrogen 2.925 N/A LYS 91.A N HIS 88.A O no hydrogen 3.141 N/A LEU 92.A N LEU 100.A O no hydrogen 3.053 N/A ILE 93.A N SER 85.A OG no hydrogen 2.802 N/A ALA 95.A N LEU 98.A O no hydrogen 3.193 N/A LEU 98.A N ALA 95.A O no hydrogen 2.788 N/A LEU 100.A N LEU 92.A O no hydrogen 3.215 N/A ASP 101.A N GLU 104.A OE2 no hydrogen 2.852 N/A ARG 102.A NH1 ASP 116.A OD1 no hydrogen 3.264 N/A GLU 104.A N ASP 101.A O no hydrogen 3.189 N/A GLY 105.A N ARG 102.A O no hydrogen 3.114 N/A LYS 106.A N ASP 103.A O no hydrogen 3.417 N/A CYS 107.A SG GLU 104.A O no hydrogen 3.146 N/A ILE 111.A N VAL 108.A O no hydrogen 3.280 N/A PHE 115.A N ILE 111.A O no hydrogen 2.771 N/A ASP 116.A N LEU 112.A O no hydrogen 2.996 N/A MET 117.A N GLU 113.A O no hydrogen 3.181 N/A LEU 118.A N ILE 114.A O no hydrogen 3.058 N/A LEU 119.A N PHE 115.A O no hydrogen 2.777 N/A ALA 120.A N ASP 116.A O no hydrogen 2.933 N/A THR 121.A N MET 117.A O no hydrogen 2.945 N/A THR 121.A OG1 MET 117.A O no hydrogen 3.062 N/A THR 122.A N LEU 118.A O no hydrogen 2.892 N/A THR 122.A OG1 LEU 118.A O no hydrogen 2.801 N/A SER 123.A N LEU 119.A O no hydrogen 2.912 N/A ARG 124.A N ALA 120.A O no hydrogen 2.994 N/A PHE 125.A N THR 121.A O no hydrogen 3.069 N/A ARG 126.A N THR 122.A O no hydrogen 2.955 N/A ARG 126.A NE ILE 86.A O no hydrogen 2.654 N/A ARG 126.A NH2 SER 85.A O no hydrogen 2.903 N/A ARG 126.A NH2 ILE 86.A O no hydrogen 3.104 N/A GLU 127.A N SER 123.A O no hydrogen 3.075 N/A LEU 128.A N ARG 124.A O no hydrogen 3.125 N/A LYS 129.A N ARG 126.A O no hydrogen 2.965 N/A LEU 130.A N PHE 125.A O no hydrogen 3.024 N/A GLN 131.A N GLU 134.A OE1 no hydrogen 2.748 N/A GLN 131.A NE2 LYS 129.A O no hydrogen 3.183 N/A TYR 135.A N GLN 131.A O no hydrogen 2.972 N/A TYR 135.A OH GLU 14.A OE2 no hydrogen 3.370 N/A LEU 136.A N HIS 132.A O no hydrogen 3.029 N/A CYS 137.A N LYS 133.A O no hydrogen 3.228 N/A CYS 137.A SG LYS 133.A O no hydrogen 3.368 N/A VAL 138.A N GLU 134.A O no hydrogen 2.872 N/A LYS 139.A N TYR 135.A O no hydrogen 2.935 N/A LYS 139.A NZ GLU 14.A OE1 no hydrogen 2.688 N/A LYS 139.A NZ TYR 135.A OH no hydrogen 3.059 N/A ALA 140.A N LEU 136.A O no hydrogen 3.162 N/A MET 141.A N CYS 137.A O no hydrogen 2.771 N/A ILE 142.A N VAL 138.A O no hydrogen 2.893 N/A LEU 143.A N LYS 139.A O no hydrogen 3.349 N/A LEU 144.A N ALA 140.A O no hydrogen 3.045 N/A ASN 145.A N MET 141.A O no hydrogen 2.870 N/A SER 146.A OG LEU 68.A O no hydrogen 3.260 N/A SER 146.A OG LEU 143.A O no hydrogen 2.920 N/A SER 153.A N GLN 149.A O no hydrogen 3.243 N/A SER 153.A OG ASP 64.A OD2 no hydrogen 2.552 N/A ARG 155.A N ALA 151.A O no hydrogen 3.438 N/A LYS 156.A N ASP 152.A O no hydrogen 3.182 N/A LEU 157.A N SER 153.A O no hydrogen 2.983 N/A ALA 158.A N SER 154.A O no hydrogen 3.109 N/A HIS 159.A N ARG 155.A O no hydrogen 2.823 N/A LEU 160.A N LYS 156.A O no hydrogen 2.889 N/A LEU 161.A N LEU 157.A O no hydrogen 2.748 N/A ASN 162.A N ALA 158.A O no hydrogen 2.831 N/A ALA 163.A N HIS 159.A O no hydrogen 3.019 N/A VAL 164.A N LEU 160.A O no hydrogen 3.119 N/A THR 165.A N LEU 161.A O no hydrogen 3.002 N/A THR 165.A OG1 LEU 161.A O no hydrogen 2.924 N/A ASP 166.A N ASN 162.A O no hydrogen 2.891 N/A ALA 167.A N ALA 163.A O no hydrogen 3.052 N/A LEU 168.A N VAL 164.A O no hydrogen 2.981 N/A VAL 169.A N THR 165.A O no hydrogen 3.009 N/A TRP 170.A N ASP 166.A O no hydrogen 3.014 N/A VAL 171.A N ALA 167.A O no hydrogen 2.896 N/A ILE 172.A N LEU 168.A O no hydrogen 3.018 N/A ALA 173.A N VAL 169.A O no hydrogen 2.912 N/A LYS 174.A N TRP 170.A O no hydrogen 3.036 N/A LYS 174.A N VAL 171.A O no hydrogen 3.179 N/A SER 175.A N ILE 172.A O no hydrogen 3.135 N/A SER 175.A OG ILE 172.A O no hydrogen 2.613 N/A GLY 176.A N ALA 173.A O no hydrogen 3.274 N/A GLN 181.A N SER 178.A OG no hydrogen 3.238 N/A GLN 182.A N SER 178.A O no hydrogen 2.803 N/A GLN 182.A NE2 ILE 177.A O no hydrogen 2.716 N/A GLN 182.A NE2 SER 178.A O no hydrogen 3.680 N/A SER 183.A N SER 179.A O no hydrogen 3.080 N/A SER 183.A OG SER 179.A O no hydrogen 3.187 N/A MET 184.A N GLN 180.A O no hydrogen 3.023 N/A ARG 185.A N GLN 181.A O no hydrogen 2.919 N/A ARG 185.A NE GLU 134.A OE2 no hydrogen 2.728 N/A ARG 185.A NH1 LEU 128.A O no hydrogen 2.746 N/A ARG 185.A NH2 LEU 128.A O no hydrogen 3.032 N/A ARG 185.A NH2 LYS 129.A O no hydrogen 3.135 N/A ARG 185.A NH2 GLU 134.A OE1 no hydrogen 2.735 N/A ARG 185.A NH2 GLU 134.A OE2 no hydrogen 3.279 N/A LEU 186.A N GLN 182.A O no hydrogen 3.049 N/A ALA 187.A N SER 183.A O no hydrogen 3.030 N/A ASN 188.A N MET 184.A O no hydrogen 2.939 N/A LEU 189.A N ARG 185.A O no hydrogen 2.961 N/A LEU 190.A N LEU 186.A O no hydrogen 3.066 N/A MET 191.A N ALA 187.A O no hydrogen 2.926 N/A LEU 192.A N LEU 189.A O no hydrogen 3.148 N/A LEU 193.A N LEU 190.A O no hydrogen 2.938 N/A VAL 196.A N LEU 192.A O no hydrogen 3.105 N/A ARG 197.A N LEU 193.A O no hydrogen 2.840 N/A ARG 197.A NE GLU 75.A OE2 no hydrogen 3.027 N/A HIS 198.A N SER 194.A O no hydrogen 2.939 N/A ALA 199.A N HIS 195.A O no hydrogen 3.044 N/A SER 200.A N VAL 196.A O no hydrogen 2.930 N/A ASN 201.A N ARG 197.A O no hydrogen 2.879 N/A LYS 202.A N HIS 198.A O no hydrogen 3.063 N/A GLY 203.A N ALA 199.A O no hydrogen 2.779 N/A MET 204.A N SER 200.A O no hydrogen 2.970 N/A GLU 205.A N ASN 201.A O no hydrogen 3.195 N/A HIS 206.A N LYS 202.A O no hydrogen 3.136 N/A HIS 206.A NE2 GLU 109.A O no hydrogen 2.993 N/A LEU 207.A N GLY 203.A O no hydrogen 3.074 N/A LEU 208.A N MET 204.A O no hydrogen 2.815 N/A ASN 209.A N GLU 205.A O no hydrogen 3.133 N/A MET 210.A N HIS 206.A O no hydrogen 3.076 N/A LYS 211.A N LEU 207.A O no hydrogen 2.820 N/A LYS 211.A NZ ASN 227.A OD1 no hydrogen 3.334 N/A CYS 212.A N LEU 208.A O no hydrogen 2.957 N/A CYS 212.A SG LEU 208.A O no hydrogen 3.530 N/A LYS 213.A N ASN 209.A O no hydrogen 3.149 N/A LYS 213.A N MET 210.A O no hydrogen 3.140 N/A ASN 214.A N LYS 211.A O no hydrogen 2.566 N/A VAL 215.A N MET 210.A O no hydrogen 3.344 N/A LEU 222.A N ASP 41.A OD1 no hydrogen 3.178 N/A LEU 223.A N TYR 219.A O no hydrogen 2.776 N/A GLU 224.A N ASP 220.A O no hydrogen 3.014 N/A MET 225.A N LEU 221.A O no hydrogen 2.932 N/A LEU 226.A N LEU 222.A O no hydrogen 2.941 N/A ASN 227.A N LEU 223.A O no hydrogen 2.927 N/A ALA 228.A N GLU 224.A O no hydrogen 2.962 N/A HIS 229.A N LEU 226.A O no hydrogen 2.939 N/A HIS 229.A NE2 SER 71.A O no hydrogen 3.157 N/A VAL 230.A N LEU 226.A O no hydrogen 3.265 N/A LEU 231.A N ASN 227.A O no hydrogen 2.754 N/A