Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jr4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A N GLU 5.A OE2 no hydrogen 3.008 N/A LEU 3.A N GLY 170.A O no hydrogen 3.010 N/A VAL 6.A N GLN 2.A O no hydrogen 2.931 N/A GLU 7.A N LEU 3.A O no hydrogen 2.790 N/A THR 8.A N PRO 4.A O no hydrogen 3.226 N/A THR 8.A N GLU 5.A O no hydrogen 3.053 N/A THR 8.A OG1 PRO 4.A O no hydrogen 2.826 N/A ILE 9.A N GLU 5.A O no hydrogen 3.018 N/A ARG 10.A N VAL 6.A O no hydrogen 2.810 N/A ARG 10.A NE GLU 7.A OE1 no hydrogen 3.478 N/A ARG 10.A NE GLU 7.A OE2 no hydrogen 3.190 N/A ARG 10.A NH1 LEU 54.A O no hydrogen 3.043 N/A ARG 10.A NH2 GLU 7.A OE2 no hydrogen 3.167 N/A ARG 11.A N GLU 7.A O no hydrogen 3.112 N/A ARG 11.A NE GLU 7.A OE2 no hydrogen 3.002 N/A THR 12.A N THR 8.A O no hydrogen 3.177 N/A THR 12.A OG1 THR 8.A O no hydrogen 3.013 N/A THR 12.A OG1 ILE 9.A O no hydrogen 3.458 N/A LEU 13.A N ILE 9.A O no hydrogen 2.956 N/A LEU 14.A N ARG 10.A O no hydrogen 3.203 N/A LEU 16.A N LEU 13.A O no hydrogen 2.923 N/A ILE 17.A N LEU 14.A O no hydrogen 2.999 N/A VAL 18.A N LEU 14.A O no hydrogen 2.860 N/A GLY 19.A N VAL 51.A O no hydrogen 2.777 N/A LYS 20.A N ILE 17.A O no hydrogen 3.023 N/A LYS 20.A NZ LEU 16.A O no hydrogen 2.934 N/A LYS 20.A NZ SER 103.A OG no hydrogen 2.895 N/A THR 21.A OG1 THR 50.A OG1 no hydrogen 2.851 N/A ILE 22.A N GLN 49.A O no hydrogen 2.790 N/A GLU 23.A N CYS 98.A O no hydrogen 2.627 N/A ASP 24.A N CYS 98.A O no hydrogen 3.249 N/A ARG 26.A N VAL 96.A O no hydrogen 2.763 N/A ARG 26.A NE ASP 24.A OD2 no hydrogen 3.168 N/A PHE 28.A N HIS 94.A O no hydrogen 2.659 N/A ILE 32.A N TRP 29.A O no hydrogen 3.257 N/A ILE 33.A N PRO 30.A O no hydrogen 2.778 N/A ARG 34.A N MET 116.A O no hydrogen 2.810 N/A ARG 34.A NE ASN 31.A O no hydrogen 2.739 N/A HIS 35.A N MET 116.A O no hydrogen 3.415 N/A HIS 35.A ND1 VAL 118.A O no hydrogen 3.057 N/A ARG 37.A NH1 ASN 31.A O no hydrogen 3.560 N/A ARG 37.A NH1 ILE 33.A O no hydrogen 2.775 N/A GLU 40.A N ASP 38.A OD2 no hydrogen 3.031 N/A PHE 42.A N ASP 38.A O no hydrogen 3.287 N/A ALA 43.A N SER 39.A O no hydrogen 3.138 N/A ALA 44.A N GLU 40.A O no hydrogen 2.926 N/A ARG 45.A N ALA 41.A O no hydrogen 2.961 N/A ARG 45.A NE ASP 68.A OD2 no hydrogen 2.956 N/A ARG 45.A NH2 ASP 68.A OD1 no hydrogen 3.034 N/A ARG 45.A NH2 ASP 68.A OD2 no hydrogen 3.525 N/A MET 46.A N ALA 43.A O no hydrogen 3.339 N/A ILE 47.A N ALA 43.A O no hydrogen 3.369 N/A ILE 47.A N ALA 44.A O no hydrogen 3.278 N/A GLY 48.A N ILE 22.A O no hydrogen 2.836 N/A GLN 49.A N MET 46.A O no hydrogen 3.031 N/A GLN 49.A NE2 ARG 45.A O no hydrogen 2.877 N/A GLN 49.A NE2 ASP 68.A OD2 no hydrogen 3.136 N/A THR 50.A N ASP 66.A OD2 no hydrogen 3.138 N/A THR 50.A OG1 THR 21.A OG1 no hydrogen 2.851 N/A VAL 51.A N LYS 20.A O no hydrogen 2.878 N/A ARG 52.A N LEU 64.A O no hydrogen 2.658 N/A ARG 52.A NE ASP 66.A OD1 no hydrogen 2.908 N/A ARG 52.A NH2 ASP 66.A OD1 no hydrogen 3.100 N/A GLY 53.A N LEU 64.A O no hydrogen 3.208 N/A GLU 55.A N LYS 62.A O no hydrogen 2.882 N/A ARG 56.A NE GLU 7.A OE1 no hydrogen 2.812 N/A ARG 56.A NH1 GLU 136.A OE2 no hydrogen 3.036 N/A ARG 56.A NH2 GLY 58.A O no hydrogen 2.803 N/A ARG 56.A NH2 GLU 136.A OE2 no hydrogen 2.949 N/A ARG 57.A N PHE 60.A O no hydrogen 3.051 N/A ARG 57.A NH1 GLY 134.A O no hydrogen 3.053 N/A ARG 57.A NH1 GLU 136.A OE1 no hydrogen 2.740 N/A ARG 57.A NH2 GLY 134.A O no hydrogen 2.705 N/A GLY 58.A N GLU 136.A OE1 no hydrogen 2.657 N/A LYS 59.A NZ PHE 171.A O no hydrogen 3.112 N/A PHE 60.A N ARG 57.A O no hydrogen 2.874 N/A LEU 61.A N SER 72.A O no hydrogen 2.827 N/A LYS 62.A N GLU 55.A O no hydrogen 2.743 N/A LYS 62.A NZ ASP 125.A OD1 no hydrogen 3.146 N/A LYS 62.A NZ ASP 125.A OD2 no hydrogen 2.806 N/A PHE 63.A N LEU 70.A O no hydrogen 2.845 N/A LEU 64.A N GLY 53.A O no hydrogen 2.819 N/A LEU 65.A N ASP 68.A O no hydrogen 3.008 N/A ASP 66.A N GLN 49.A OE1 no hydrogen 3.005 N/A ARG 67.A N GLN 49.A OE1 no hydrogen 3.149 N/A ASP 68.A N GLN 49.A OE1 no hydrogen 3.285 N/A ALA 69.A N TYR 119.A O no hydrogen 2.743 N/A LEU 70.A N PHE 63.A O no hydrogen 2.910 N/A ILE 71.A N HIS 117.A O no hydrogen 2.599 N/A SER 72.A N LEU 61.A O no hydrogen 2.843 N/A SER 72.A OG TYR 80.A OH no hydrogen 2.687 N/A HIS 73.A N THR 115.A O no hydrogen 2.985 N/A ARG 75.A N HIS 73.A ND1 no hydrogen 2.887 N/A GLY 78.A N LEU 74.A O no hydrogen 2.999 N/A ARG 79.A N ARG 108.A O no hydrogen 2.768 N/A TYR 80.A OH SER 72.A OG no hydrogen 2.687 N/A ALA 81.A N ARG 106.A O no hydrogen 2.930 N/A ALA 83.A N GLU 104.A O no hydrogen 2.969 N/A ALA 85.A N GLY 102.A O no hydrogen 2.744 N/A LEU 86.A N SER 84.A OG no hydrogen 2.919 N/A GLU 87.A N SER 84.A O no hydrogen 3.269 N/A THR 93.A OG1 GLU 90.A O no hydrogen 2.643 N/A HIS 94.A N TYR 107.A O no hydrogen 2.981 N/A HIS 94.A NE2 ASP 109.A O no hydrogen 2.884 N/A VAL 96.A N ARG 26.A O no hydrogen 2.869 N/A PHE 97.A N LEU 105.A O no hydrogen 2.940 N/A CYS 98.A N ASP 24.A O no hydrogen 2.771 N/A CYS 98.A SG GLU 104.A OE2 no hydrogen 3.813 N/A PHE 99.A N SER 103.A O no hydrogen 2.952 N/A THR 100.A N THR 21.A O no hydrogen 2.900 N/A GLY 102.A N PHE 99.A O no hydrogen 3.289 N/A SER 103.A N ASP 101.A OD1 no hydrogen 2.982 N/A SER 103.A OG ASP 101.A OD1 no hydrogen 2.619 N/A GLU 104.A N ALA 83.A O no hydrogen 2.664 N/A LEU 105.A N PHE 97.A O no hydrogen 2.927 N/A ARG 106.A N ALA 81.A O no hydrogen 2.669 N/A ARG 106.A NE GLU 104.A OE1 no hydrogen 2.957 N/A ARG 106.A NH2 GLU 87.A O no hydrogen 3.260 N/A ARG 106.A NH2 GLU 104.A OE1 no hydrogen 3.093 N/A TYR 107.A N VAL 95.A O no hydrogen 2.831 N/A TYR 107.A OH ASP 109.A OD1 no hydrogen 2.569 N/A ARG 108.A N ARG 79.A O no hydrogen 2.794 N/A ARG 108.A NE PRO 91.A O no hydrogen 3.018 N/A ARG 108.A NH2 PRO 91.A O no hydrogen 3.026 N/A ASP 109.A N HIS 92.A O no hydrogen 3.053 N/A LYS 112.A N ASP 109.A O no hydrogen 3.084 N/A LYS 112.A N ASP 109.A OD2 no hydrogen 3.256 N/A GLY 114.A N ASP 109.A OD1 no hydrogen 2.799 N/A THR 115.A N HIS 73.A O no hydrogen 3.014 N/A MET 116.A N ILE 32.A O no hydrogen 2.816 N/A HIS 117.A N ILE 71.A O no hydrogen 2.868 N/A VAL 118.A N HIS 35.A O no hydrogen 2.723 N/A TYR 119.A N ALA 69.A O no hydrogen 3.079 N/A TYR 119.A OH PRO 128.A O no hydrogen 2.845 N/A LYS 121.A N ARG 67.A O no hydrogen 2.878 N/A LYS 121.A NZ LEU 65.A O no hydrogen 2.936 N/A LYS 121.A NZ ASP 66.A O no hydrogen 2.939 N/A GLU 122.A N GLU 122.A OE1 no hydrogen 2.655 N/A GLU 123.A N ALA 120.A O no hydrogen 2.773 N/A ALA 124.A N ALA 120.A O no hydrogen 3.232 N/A ALA 124.A N LYS 121.A O no hydrogen 3.198 N/A ARG 126.A N GLU 123.A O no hydrogen 3.114 N/A ARG 127.A N ALA 124.A O no hydrogen 3.492 N/A ARG 127.A NH1 GLU 123.A OE1 no hydrogen 3.007 N/A ALA 131.A N ARG 127.A O no hydrogen 3.157 N/A LEU 133.A N LEU 130.A O no hydrogen 3.183 N/A GLY 134.A N GLN 165.A O no hydrogen 2.778 N/A SER 139.A N GLU 136.A O no hydrogen 3.100 N/A SER 139.A OG GLU 136.A O no hydrogen 2.693 N/A PHE 142.A N SER 139.A O no hydrogen 2.946 N/A VAL 146.A N SER 143.A OG no hydrogen 3.250 N/A LEU 147.A N SER 143.A O no hydrogen 3.091 N/A ALA 148.A N PRO 144.A O no hydrogen 2.843 N/A GLU 149.A N ALA 145.A O no hydrogen 2.915 N/A ARG 150.A N VAL 146.A O no hydrogen 3.415 N/A ARG 150.A NH1 THR 166.A OG1 no hydrogen 3.283 N/A ALA 151.A N LEU 147.A O no hydrogen 3.032 N/A VAL 152.A N ALA 148.A O no hydrogen 3.124 N/A THR 154.A N ALA 151.A O no hydrogen 3.237 N/A ARG 156.A N THR 154.A OG1 no hydrogen 3.289 N/A ARG 156.A NH1 ASP 164.A OD2 no hydrogen 2.755 N/A VAL 158.A N ARG 189.A O no hydrogen 2.881 N/A LYS 159.A N PRO 187.A O no hydrogen 3.247 N/A LYS 159.A NZ ASP 177.A OD1 no hydrogen 2.642 N/A LYS 159.A NZ ASP 177.A OD2 no hydrogen 3.306 N/A LYS 159.A NZ GLY 254.A O no hydrogen 3.400 N/A LYS 159.A NZ THR 255.A OG1 no hydrogen 3.007 N/A ALA 160.A N SER 157.A OG no hydrogen 3.143 N/A LEU 161.A N SER 157.A O no hydrogen 2.961 N/A LEU 162.A N VAL 158.A O no hydrogen 3.154 N/A LEU 162.A N LYS 159.A O no hydrogen 3.032 N/A LEU 163.A N LYS 159.A O no hydrogen 3.095 N/A GLN 165.A NE2 LEU 163.A O no hydrogen 2.747 N/A GLN 165.A NE2 PHE 171.A O no hydrogen 3.207 N/A THR 166.A N ASP 164.A OD1 no hydrogen 2.751 N/A THR 166.A OG1 ASP 164.A OD1 no hydrogen 2.772 N/A THR 166.A OG1 ASP 164.A OD2 no hydrogen 3.238 N/A VAL 167.A N ASP 164.A O no hydrogen 3.060 N/A VAL 168.A N ASP 164.A O no hydrogen 3.468 N/A ALA 169.A N PRO 135.A O no hydrogen 3.194 N/A GLY 170.A N GLN 165.A OE1 no hydrogen 2.949 N/A TYR 175.A N GLN 2.A OE1 no hydrogen 3.348 N/A TYR 175.A OH GLU 5.A OE1 no hydrogen 2.655 N/A VAL 176.A N GLY 172.A O no hydrogen 2.922 N/A ASP 177.A N CYS 173.A O no hydrogen 2.964 N/A GLU 178.A N ILE 174.A O no hydrogen 3.038 N/A SER 179.A N TYR 175.A O no hydrogen 2.888 N/A SER 179.A OG TYR 175.A O no hydrogen 2.716 N/A LEU 180.A N VAL 176.A O no hydrogen 2.980 N/A PHE 181.A N ASP 177.A O no hydrogen 3.117 N/A ARG 182.A N GLU 178.A O no hydrogen 2.978 N/A ARG 182.A NE GLU 205.A OE1 no hydrogen 3.288 N/A ARG 182.A NH1 GLU 212.A OE2 no hydrogen 3.185 N/A ARG 182.A NH2 GLU 212.A OE1 no hydrogen 2.844 N/A ARG 182.A NH2 GLU 212.A OE2 no hydrogen 3.315 N/A ALA 183.A N SER 179.A O no hydrogen 2.941 N/A GLY 184.A N PHE 181.A O no hydrogen 2.858 N/A ILE 185.A N LEU 180.A O no hydrogen 2.889 N/A LEU 186.A N ARG 263.A O no hydrogen 2.798 N/A ARG 189.A N LEU 186.A O no hydrogen 3.190 N/A ARG 189.A NE SER 193.A OG no hydrogen 3.236 N/A ARG 189.A NH1 GLU 198.A OE1 no hydrogen 2.975 N/A ARG 189.A NH1 ARG 263.A O no hydrogen 3.008 N/A ARG 189.A NH1 ARG 263.A OXT no hydrogen 3.451 N/A ARG 189.A NH2 SER 193.A O no hydrogen 3.018 N/A ARG 189.A NH2 GLU 198.A OE1 no hydrogen 3.165 N/A ARG 189.A NH2 GLU 198.A OE2 no hydrogen 2.991 N/A ALA 191.A N ARG 156.A O no hydrogen 2.786 N/A SER 193.A N PRO 190.A O no hydrogen 2.871 N/A SER 193.A OG PRO 190.A O no hydrogen 2.535 N/A LEU 194.A N ALA 191.A O no hydrogen 3.102 N/A SER 195.A N GLU 198.A OE2 no hydrogen 2.812 N/A SER 195.A OG GLU 198.A OE2 no hydrogen 3.335 N/A GLU 198.A N SER 195.A OG no hydrogen 3.331 N/A ILE 199.A N SER 195.A O no hydrogen 2.849 N/A GLU 200.A N SER 196.A O no hydrogen 3.162 N/A ARG 201.A N LYS 197.A O no hydrogen 3.166 N/A ARG 201.A NH1 GLU 205.A OE2 no hydrogen 2.718 N/A LEU 202.A N GLU 198.A O no hydrogen 2.767 N/A HIS 203.A N ILE 199.A O no hydrogen 2.907 N/A HIS 203.A NE2 PHE 142.A O no hydrogen 2.815 N/A GLU 204.A N GLU 200.A O no hydrogen 2.962 N/A GLU 205.A N ARG 201.A O no hydrogen 2.950 N/A MET 206.A N LEU 202.A O no hydrogen 2.721 N/A VAL 207.A N HIS 203.A O no hydrogen 3.050 N/A ALA 208.A N GLU 204.A O no hydrogen 3.082 N/A THR 209.A N GLU 205.A O no hydrogen 2.866 N/A THR 209.A OG1 GLU 205.A O no hydrogen 2.887 N/A ILE 210.A N MET 206.A O no hydrogen 3.206 N/A GLY 211.A N VAL 207.A O no hydrogen 3.041 N/A GLU 212.A N ALA 208.A O no hydrogen 2.879 N/A ALA 213.A N THR 209.A O no hydrogen 3.023 N/A VAL 214.A N ILE 210.A O no hydrogen 3.012 N/A MET 215.A N GLY 211.A O no hydrogen 3.058 N/A LYS 216.A N GLU 212.A O no hydrogen 2.898 N/A LYS 216.A N ALA 213.A O no hydrogen 3.145 N/A GLY 217.A N VAL 214.A O no hydrogen 3.292 N/A GLY 218.A N ALA 213.A O no hydrogen 2.779 N/A SER 219.A N GLU 5.A OE1 no hydrogen 2.878 N/A SER 219.A OG TYR 175.A OH no hydrogen 3.199 N/A THR 220.A N GLN 225.A OE1 no hydrogen 2.836 N/A THR 223.A N LYS 216.A O no hydrogen 3.139 N/A THR 223.A OG1 LYS 216.A O no hydrogen 3.216 N/A PHE 224.A N GLY 218.A O no hydrogen 2.990 N/A GLN 225.A N GLN 225.A OE1 no hydrogen 2.754 N/A GLN 225.A NE2 GLY 222.A O no hydrogen 3.091 N/A HIS 226.A N THR 223.A O no hydrogen 3.207 N/A HIS 227.A N PHE 224.A O no hydrogen 2.792 N/A TYR 229.A N GLU 178.A OE2 no hydrogen 2.644 N/A VAL 230.A N GLU 178.A OE1 no hydrogen 2.976 N/A TYR 231.A N GLU 178.A OE1 no hydrogen 2.760 N/A ARG 233.A N VAL 230.A O no hydrogen 3.088 N/A ARG 233.A NH1 TYR 229.A O no hydrogen 3.184 N/A ARG 233.A NH1 PRO 237.A O no hydrogen 2.983 N/A ARG 233.A NH2 PRO 237.A O no hydrogen 2.978 N/A GLN 234.A N GLN 234.A OE1 no hydrogen 2.701 N/A GLY 235.A N ILE 245.A O no hydrogen 2.887 N/A ASN 236.A N ARG 233.A O no hydrogen 2.765 N/A CYS 238.A N THR 243.A O no hydrogen 2.671 N/A LYS 239.A NZ LEU 228.A O no hydrogen 3.131 N/A ARG 240.A NH1 TYR 229.A OH no hydrogen 3.129 N/A CYS 241.A SG THR 243.A OG1 no hydrogen 3.012 N/A GLY 242.A N CYS 238.A O no hydrogen 2.919 N/A ILE 245.A N ASN 236.A O no hydrogen 2.745 N/A GLU 246.A N TYR 257.A O no hydrogen 2.787 N/A THR 248.A N THR 255.A O no hydrogen 3.064 N/A VAL 250.A N ARG 253.A O no hydrogen 3.092 N/A ARG 253.A N VAL 250.A O no hydrogen 3.386 N/A ARG 253.A NH1 GLY 252.A O no hydrogen 2.930 N/A THR 255.A N THR 248.A O no hydrogen 2.784 N/A THR 255.A OG1 ARG 253.A O no hydrogen 3.108 N/A HIS 256.A N ASP 177.A OD2 no hydrogen 2.927 N/A HIS 256.A ND1 ASP 177.A OD2 no hydrogen 3.243 N/A TYR 257.A N GLU 246.A O no hydrogen 2.980 N/A CYS 258.A N GLN 262.A OE1 no hydrogen 2.829 N/A GLN 262.A N CYS 258.A O no hydrogen 3.137 N/A GLN 262.A NE2 ILE 185.A O no hydrogen 2.871 N/A ARG 263.A N GLY 184.A O no hydrogen 2.947 N/A ARG 263.A NH1 ARG 260.A O no hydrogen 3.345 N/A