Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jxg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N TYR 9.A O no hydrogen 2.838 N/A GLY 10.A N GLY 7.A O no hydrogen 2.909 N/A HIS 13.A N GLY 10.A O no hydrogen 2.795 N/A TRP 14.A N PRO 11.A O no hydrogen 3.280 N/A TRP 14.A NE1 ALA 4.A O no hydrogen 2.922 N/A THR 16.A N HIS 13.A O no hydrogen 3.119 N/A THR 16.A OG1 HIS 13.A O no hydrogen 3.392 N/A SER 17.A N TRP 14.A O no hydrogen 3.084 N/A SER 18.A N TRP 14.A O no hydrogen 2.874 N/A CYS 21.A N SER 18.A O no hydrogen 3.112 N/A GLY 22.A N VAL 19.A O no hydrogen 3.085 N/A GLY 23.A N SER 20.A O no hydrogen 2.834 N/A HIS 25.A N GLU 206.A OE2 no hydrogen 2.867 N/A HIS 25.A NE2 ASP 251.A OD2 no hydrogen 2.939 N/A GLN 26.A NE2 CYS 204.A O no hydrogen 3.183 N/A GLN 26.A NE2 GLU 206.A OE2 no hydrogen 2.804 N/A SER 27.A N SER 198.A OG no hydrogen 2.859 N/A SER 27.A OG TYR 195.A OH no hydrogen 2.735 N/A SER 27.A OG SER 198.A O no hydrogen 3.412 N/A ILE 31.A N SER 107.A O no hydrogen 2.862 N/A ASP 33.A N ASN 109.A OD1 no hydrogen 2.830 N/A HIS 35.A N LEU 32.A O no hydrogen 3.021 N/A ALA 36.A N ASP 33.A O no hydrogen 3.126 N/A ARG 37.A N VAL 254.A O no hydrogen 2.851 N/A ARG 37.A NE ASP 40.A OD1 no hydrogen 2.948 N/A ARG 37.A NE ASP 40.A OD2 no hydrogen 3.211 N/A ARG 37.A NH2 ASP 40.A OD2 no hydrogen 3.005 N/A GLN 46.A N SER 78.A O no hydrogen 2.912 N/A ASP 48.A N PHE 76.A O no hydrogen 2.817 N/A ASN 52.A N GLY 49.A O no hydrogen 3.133 N/A SER 54.A N PHE 179.A O no hydrogen 2.929 N/A SER 54.A OG PHE 179.A O no hydrogen 3.262 N/A SER 55.A N ASP 73.A OD2 no hydrogen 2.637 N/A SER 55.A OG ASN 56.A OD1 no hydrogen 3.503 N/A LYS 57.A N SER 55.A OG no hydrogen 2.666 N/A THR 58.A N SER 55.A O no hydrogen 3.184 N/A THR 58.A OG1 SER 55.A O no hydrogen 3.548 N/A TRP 59.A N LEU 70.A O no hydrogen 3.478 N/A MET 60.A N THR 174.A O no hydrogen 2.786 N/A LYS 61.A N ALA 68.A O no hydrogen 2.814 N/A LYS 61.A NZ GLU 171.A O no hydrogen 3.226 N/A LYS 61.A NZ GLU 173.A OE2 no hydrogen 2.664 N/A ASN 62.A N LYS 172.A O no hydrogen 2.918 N/A ASN 62.A ND2 VAL 167.A O no hydrogen 2.967 N/A ASN 62.A ND2 VAL 168.A O no hydrogen 3.316 N/A ASN 62.A ND2 PHE 231.A O no hydrogen 2.962 N/A THR 63.A N THR 66.A O no hydrogen 2.940 N/A THR 63.A OG1 THR 66.A O no hydrogen 3.207 N/A GLY 64.A N ASN 62.A OD1 no hydrogen 2.842 N/A LYS 65.A N THR 63.A OG1 no hydrogen 3.128 N/A THR 66.A N THR 63.A OG1 no hydrogen 3.080 N/A THR 66.A OG1 VAL 67.A O no hydrogen 3.310 N/A THR 66.A OG1 PHE 93.A O no hydrogen 2.622 N/A ALA 68.A N LYS 61.A O no hydrogen 2.875 N/A ILE 69.A N VAL 91.A O no hydrogen 2.792 N/A LEU 70.A N TRP 59.A O no hydrogen 2.850 N/A LEU 71.A N GLU 89.A O no hydrogen 3.170 N/A PHE 76.A N ASP 48.A O no hydrogen 2.841 N/A VAL 77.A N PHE 86.A O no hydrogen 2.848 N/A SER 78.A N GLN 46.A O no hydrogen 3.040 N/A ALA 80.A N GLN 43.A O no hydrogen 2.877 N/A LEU 82.A N GLY 79.A O no hydrogen 2.957 N/A GLY 84.A N LEU 82.A O no hydrogen 2.993 N/A PHE 86.A N VAL 77.A O no hydrogen 2.830 N/A LYS 87.A N TYR 122.A O no hydrogen 2.722 N/A LYS 87.A NZ ASP 74.A OD1 no hydrogen 3.484 N/A ALA 88.A N TYR 75.A O no hydrogen 2.840 N/A GLU 89.A N PHE 120.A O no hydrogen 2.868 N/A LYS 90.A NZ GLU 92.A OE2 no hydrogen 2.954 N/A VAL 91.A N ILE 69.A O no hydrogen 2.956 N/A GLU 92.A N GLN 118.A O no hydrogen 2.827 N/A PHE 93.A N THR 66.A OG1 no hydrogen 3.032 N/A HIS 94.A N GLU 116.A O no hydrogen 2.893 N/A HIS 94.A ND1 ASN 242.A O no hydrogen 2.770 N/A TRP 95.A N ASN 242.A OD1 no hydrogen 2.793 N/A TRP 95.A NE1 LEU 239.A O no hydrogen 2.822 N/A HIS 97.A N SER 101.A OG no hydrogen 2.907 N/A SER 98.A N SER 101.A OG no hydrogen 3.370 N/A GLY 100.A N TYR 228.A OH no hydrogen 2.957 N/A SER 101.A N SER 98.A O no hydrogen 2.943 N/A SER 101.A OG SER 98.A O no hydrogen 3.407 N/A GLY 103.A N PHE 113.A O no hydrogen 2.807 N/A SER 104.A N PHE 113.A O no hydrogen 2.923 N/A SER 104.A OG HIS 106.A O no hydrogen 2.848 N/A GLU 105.A N GLU 116.A OE1 no hydrogen 2.787 N/A HIS 106.A N GLU 116.A OE1 no hydrogen 2.723 N/A HIS 106.A ND1 GLU 116.A OE2 no hydrogen 2.770 N/A HIS 106.A NE2 TYR 195.A OH no hydrogen 2.626 N/A SER 107.A N ILE 29.A O no hydrogen 3.367 N/A SER 107.A OG ASP 30.A OD1 no hydrogen 2.568 N/A VAL 108.A N ARG 111.A O no hydrogen 3.120 N/A ASN 109.A N ILE 31.A O no hydrogen 2.752 N/A GLY 110.A N ASP 30.A OD1 no hydrogen 2.864 N/A ARG 111.A N VAL 108.A O no hydrogen 2.963 N/A ARG 111.A NH1 GLN 148.A OE1 no hydrogen 3.449 N/A ARG 111.A NH2 GLN 148.A OE1 no hydrogen 2.593 N/A ARG 112.A NE SER 104.A O no hydrogen 3.009 N/A ARG 112.A NH2 SER 104.A O no hydrogen 2.789 N/A PHE 113.A N SER 104.A OG no hydrogen 2.932 N/A GLU 116.A N HIS 94.A O no hydrogen 2.875 N/A MET 117.A N ILE 145.A O no hydrogen 2.779 N/A GLN 118.A N GLU 92.A O no hydrogen 2.817 N/A ILE 119.A N MET 143.A O no hydrogen 2.928 N/A PHE 120.A N LYS 90.A O no hydrogen 2.904 N/A PHE 121.A N GLY 141.A O no hydrogen 2.758 N/A TYR 122.A N LYS 87.A O no hydrogen 2.999 N/A ASP 125.A N ASN 123.A OD1 no hydrogen 3.017 N/A ASP 126.A N ASN 123.A O no hydrogen 3.014 N/A PHE 127.A N ASN 123.A O no hydrogen 3.192 N/A SER 129.A OG THR 132.A OG1 no hydrogen 3.027 N/A GLN 131.A NE2 GLU 89.A OE2 no hydrogen 3.243 N/A THR 132.A N SER 129.A OG no hydrogen 3.375 N/A THR 132.A OG1 SER 129.A OG no hydrogen 3.027 N/A ALA 133.A N SER 129.A O no hydrogen 3.149 N/A ILE 134.A N PHE 130.A O no hydrogen 2.953 N/A SER 135.A N GLN 131.A O no hydrogen 2.923 N/A SER 135.A OG GLN 131.A O no hydrogen 3.471 N/A SER 135.A OG THR 132.A O no hydrogen 3.053 N/A GLU 136.A N THR 132.A O no hydrogen 2.821 N/A ASN 137.A N ILE 134.A O no hydrogen 2.853 N/A ASN 137.A ND2 ILE 134.A O no hydrogen 2.982 N/A ARG 138.A N ALA 133.A O no hydrogen 3.090 N/A ILE 140.A N ILE 207.A O no hydrogen 2.891 N/A GLY 141.A N PHE 121.A O no hydrogen 2.997 N/A ALA 142.A N GLU 209.A O no hydrogen 3.028 N/A MET 143.A N ILE 119.A O no hydrogen 2.860 N/A ALA 144.A N ILE 211.A O no hydrogen 2.753 N/A ILE 145.A N MET 117.A O no hydrogen 2.832 N/A PHE 147.A N VAL 115.A O no hydrogen 2.991 N/A GLN 148.A N VAL 217.A O no hydrogen 2.855 N/A SER 150.A N ILE 219.A O no hydrogen 2.936 N/A ASN 154.A N GLN 223.A OE1 no hydrogen 2.833 N/A ASN 154.A ND2 PRO 218.A O no hydrogen 2.729 N/A ALA 156.A N ASN 154.A OD1 no hydrogen 3.086 N/A LEU 157.A N ASN 154.A O no hydrogen 2.964 N/A ASP 158.A N SER 155.A O no hydrogen 3.007 N/A ILE 161.A N LEU 157.A O no hydrogen 2.876 N/A HIS 162.A N ASP 158.A O no hydrogen 2.872 N/A GLY 163.A N PRO 159.A O no hydrogen 3.001 N/A LEU 164.A N ILE 160.A O no hydrogen 2.956 N/A LYS 165.A N ILE 161.A O no hydrogen 3.180 N/A GLY 166.A N GLY 163.A O no hydrogen 2.805 N/A VAL 167.A N LEU 164.A O no hydrogen 3.068 N/A GLU 171.A N ASN 62.A O no hydrogen 2.809 N/A LYS 172.A N HIS 169.A O no hydrogen 2.977 N/A THR 174.A N MET 60.A O no hydrogen 2.916 N/A THR 174.A OG1 PHE 175.A O no hydrogen 3.048 N/A LEU 176.A N THR 58.A O no hydrogen 3.151 N/A PHE 179.A N SER 54.A OG no hydrogen 2.774 N/A ARG 182.A N PHE 50.A O no hydrogen 2.851 N/A ARG 182.A NH1 ARG 182.A O no hydrogen 2.795 N/A ARG 182.A NH1 LEU 185.A O no hydrogen 3.327 N/A ARG 182.A NH1 PRO 186.A O no hydrogen 2.931 N/A ARG 182.A NH2 PRO 186.A O no hydrogen 3.374 N/A ARG 182.A NH2 ALA 187.A O no hydrogen 3.097 N/A ASP 183.A N ILE 180.A O no hydrogen 2.875 N/A LEU 184.A N LEU 181.A O no hydrogen 2.960 N/A LEU 185.A N ARG 182.A O no hydrogen 3.140 N/A LEU 189.A N ALA 187.A O no hydrogen 3.162 N/A SER 191.A N SER 188.A O no hydrogen 3.299 N/A TYR 192.A N SER 257.A OG no hydrogen 2.910 N/A TYR 193.A N VAL 212.A O no hydrogen 2.816 N/A TYR 193.A OH ASP 33.A OD1 no hydrogen 2.441 N/A ARG 194.A N SER 255.A O no hydrogen 2.876 N/A ARG 194.A NE ALA 80.A O no hydrogen 2.753 N/A ARG 194.A NH1 TYR 195.A O no hydrogen 3.350 N/A ARG 194.A NH1 GLU 209.A OE1 no hydrogen 3.078 N/A ARG 194.A NH1 TRP 210.A O no hydrogen 2.881 N/A ARG 194.A NH2 GLY 81.A O no hydrogen 3.196 N/A ARG 194.A NH2 GLU 209.A OE1 no hydrogen 2.952 N/A TYR 195.A N TRP 210.A O no hydrogen 3.250 N/A TYR 195.A OH SER 27.A OG no hydrogen 2.735 N/A TYR 195.A OH HIS 106.A NE2 no hydrogen 2.626 N/A THR 196.A OG1 GLU 209.A OE2 no hydrogen 2.810 N/A GLY 197.A N VAL 208.A O no hydrogen 2.847 N/A SER 198.A N SER 27.A OG no hydrogen 2.906 N/A SER 198.A OG LEU 199.A O no hydrogen 2.766 N/A LEU 199.A N SER 205.A O no hydrogen 3.128 N/A THR 200.A OG1 GLU 105.A OE1 no hydrogen 2.591 N/A THR 200.A OG1 GLU 105.A OE2 no hydrogen 3.566 N/A CYS 204.A N THR 201.A O no hydrogen 2.796 N/A ILE 207.A N SER 205.A O no hydrogen 2.960 N/A VAL 208.A N GLY 197.A O no hydrogen 3.150 N/A GLU 209.A N ILE 140.A O no hydrogen 2.928 N/A TRP 210.A N TYR 195.A O no hydrogen 2.936 N/A TRP 210.A NE1 SER 198.A O no hydrogen 3.081 N/A ILE 211.A N ALA 142.A O no hydrogen 2.826 N/A VAL 212.A N TYR 193.A O no hydrogen 2.896 N/A PHE 213.A N ALA 144.A O no hydrogen 3.040 N/A ARG 214.A N SER 191.A O no hydrogen 3.012 N/A VAL 217.A N PHE 146.A O no hydrogen 2.816 N/A ILE 219.A N GLN 148.A O no hydrogen 3.024 N/A SER 220.A N GLN 223.A OE1 no hydrogen 3.012 N/A SER 220.A OG ASP 153.A OD2 no hydrogen 2.546 N/A SER 220.A OG GLN 223.A OE1 no hydrogen 3.394 N/A GLN 223.A N SER 220.A OG no hydrogen 3.086 N/A GLN 223.A NE2 ASN 154.A O no hydrogen 2.953 N/A LEU 224.A N SER 220.A O no hydrogen 2.993 N/A GLU 225.A N TYR 221.A O no hydrogen 3.248 N/A GLU 225.A N HIS 222.A O no hydrogen 3.200 N/A ALA 226.A N GLN 223.A O no hydrogen 3.010 N/A PHE 227.A N LEU 224.A O no hydrogen 2.938 N/A TYR 228.A N LEU 224.A O no hydrogen 3.262 N/A SER 229.A OG GLU 225.A O no hydrogen 2.788 N/A ILE 230.A N PHE 227.A O no hydrogen 3.288 N/A PHE 231.A N VAL 168.A O no hydrogen 2.816 N/A THR 232.A N GLU 237.A O no hydrogen 2.774 N/A THR 232.A OG1 GLY 64.A O no hydrogen 2.669 N/A GLU 234.A N SER 235.A O no hydrogen 2.921 N/A SER 235.A OG GLU 234.A OE1 no hydrogen 3.212 N/A GLU 237.A N THR 232.A O no hydrogen 3.172 N/A LEU 239.A N ILE 230.A O no hydrogen 2.710 N/A ARG 240.A NE TYR 228.A O no hydrogen 2.866 N/A ARG 240.A NH2 TYR 228.A O no hydrogen 3.064 N/A ASN 241.A N GLY 96.A O no hydrogen 2.886 N/A ASN 242.A N TRP 95.A O no hydrogen 3.316 N/A ASN 242.A ND2 LYS 65.A O no hydrogen 2.987 N/A ASN 242.A ND2 PHE 93.A O no hydrogen 3.203 N/A ARG 244.A N GLU 105.A OE2 no hydrogen 2.737 N/A ARG 244.A NH1 GLN 26.A OE1 no hydrogen 2.830 N/A ARG 244.A NH1 SER 27.A O no hydrogen 2.870 N/A ARG 244.A NH2 CYS 21.A O no hydrogen 3.052 N/A ARG 244.A NH2 GLN 26.A OE1 no hydrogen 3.171 N/A GLN 246.A NE2 GLU 105.A O no hydrogen 3.137 N/A GLN 246.A NE2 SER 107.A OG no hydrogen 2.761 N/A GLN 247.A N PRO 28.A O no hydrogen 2.847 N/A GLN 247.A NE2 PRO 245.A O no hydrogen 2.909 N/A ARG 252.A N LEU 249.A O no hydrogen 3.253 N/A ARG 252.A NE LEU 249.A O no hydrogen 2.942 N/A ARG 252.A NH1 GLN 26.A O no hydrogen 3.128 N/A ARG 252.A NH1 THR 196.A O no hydrogen 2.917 N/A ARG 252.A NH2 GLN 26.A O no hydrogen 2.876 N/A ARG 252.A NH2 ALA 248.A O no hydrogen 2.870 N/A SER 255.A N ARG 194.A O no hydrogen 2.880 N/A SER 255.A OG ASP 40.A OD2 no hydrogen 2.637 N/A SER 255.A OG TYR 42.A OH no hydrogen 3.383 N/A LYS 256.A N ARG 37.A O no hydrogen 2.843 N/A LYS 256.A NZ ASP 33.A OD1 no hydrogen 2.932 N/A LYS 256.A NZ ASP 33.A OD2 no hydrogen 2.820 N/A SER 257.A N TYR 192.A O no hydrogen 2.960 N/A SER 257.A OG GLY 190.A O no hydrogen 2.640 N/A SER 257.A OG TYR 192.A O no hydrogen 3.172 N/A