Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jg3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N GLN 259.A OE1 no hydrogen 3.040 N/A MET 4.A N TYR 256.A O no hydrogen 2.858 N/A ARG 5.A N ASP 32.A OD2 no hydrogen 2.870 N/A ARG 5.A NE ASP 255.A OD1 no hydrogen 2.713 N/A ARG 5.A NH1 GLN 29.A O no hydrogen 2.782 N/A ARG 5.A NH2 ASP 255.A OD1 no hydrogen 3.323 N/A ARG 5.A NH2 ASP 255.A OD2 no hydrogen 3.234 N/A ILE 6.A N VAL 254.A O no hydrogen 2.856 N/A ILE 7.A N VAL 33.A O no hydrogen 3.053 N/A SER 8.A N LEU 252.A O no hydrogen 2.776 N/A VAL 9.A N CYS 35.A O no hydrogen 2.893 N/A ASN 10.A ND2 SER 151.A OG no hydrogen 2.872 N/A VAL 11.A N GLN 37.A O no hydrogen 2.899 N/A ASN 12.A N ASN 10.A OD1 no hydrogen 3.220 N/A ASN 12.A ND2 ASP 38.A OD2 no hydrogen 3.070 N/A GLY 13.A N ASP 38.A O no hydrogen 2.758 N/A ILE 14.A N THR 39.A O no hydrogen 2.828 N/A GLN 15.A NE2.B GLU 19.A OE2 no hydrogen 3.462 N/A ALA 17.A N GLY 13.A O no hydrogen 2.921 N/A ALA 18.A N ILE 14.A O no hydrogen 2.866 N/A GLU 19.A N GLN 15.A O no hydrogen 2.897 N/A ARG 20.A N ALA 17.A O no hydrogen 2.900 N/A ARG 20.A NH1.A ARG 245.A O no hydrogen 3.144 N/A ARG 20.A NH1.B ARG 245.A O no hydrogen 2.956 N/A GLY 21.A N ALA 18.A O no hydrogen 2.946 N/A LEU 22.A N ALA 17.A O no hydrogen 3.200 N/A SER 24.A OG GLY 21.A O no hydrogen 3.288 N/A TRP 25.A N GLY 21.A O no hydrogen 3.157 N/A LEU 26.A N LEU 22.A O no hydrogen 2.862 N/A GLN 27.A N LEU 23.A O no hydrogen 2.985 N/A GLN 27.A NE2 ASP 54.A O no hydrogen 2.759 N/A ALA 28.A N TRP 25.A O no hydrogen 3.000 N/A GLN 29.A N LEU 26.A O no hydrogen 3.054 N/A GLN 29.A NE2 TRP 25.A O no hydrogen 2.999 N/A ASP 32.A N ARG 5.A O no hydrogen 2.805 N/A VAL 33.A N ARG 5.A O no hydrogen 3.323 N/A ILE 34.A N TYR 74.A O no hydrogen 2.846 N/A CYS 35.A N ILE 7.A O no hydrogen 2.835 N/A CYS 35.A SG ALA 108.A O no hydrogen 3.714 N/A LEU 36.A N ALA 72.A O no hydrogen 2.772 N/A GLN 37.A N VAL 9.A O no hydrogen 2.944 N/A GLN 37.A NE2 SER 8.A OG no hydrogen 3.148 N/A GLN 37.A NE2 CYS 35.A O no hydrogen 3.446 N/A GLN 37.A NE2 THR 109.A OG1 no hydrogen 3.051 N/A THR 39.A N GLY 70.A O no hydrogen 3.025 N/A ARG 40.A N GLY 69.A O no hydrogen 2.905 N/A ARG 40.A NE ASP 38.A OD1 no hydrogen 2.975 N/A ARG 40.A NE ASP 38.A OD2 no hydrogen 3.354 N/A ARG 40.A NH2 ASP 38.A OD2 no hydrogen 2.864 N/A SER 42.A N ASP 45.A OD2 no hydrogen 2.892 N/A ALA 43.A N ASP 62.A OD2 no hydrogen 2.888 N/A ASP 45.A N SER 42.A OG no hydrogen 2.997 N/A LEU 46.A N SER 42.A O no hydrogen 3.084 N/A ASP 47.A N PHE 44.A O no hydrogen 2.896 N/A ASP 48.A N ASP 45.A O no hydrogen 3.369 N/A SER 50.A N ASP 48.A OD1 no hydrogen 2.914 N/A SER 50.A OG ASP 48.A OD1 no hydrogen 3.220 N/A SER 50.A OG ASP 48.A OD2 no hydrogen 3.568 N/A PHE 51.A N ASP 48.A O no hydrogen 3.021 N/A GLN 52.A N PRO 49.A O no hydrogen 3.285 N/A ASP 54.A N GLN 27.A OE1 no hydrogen 2.966 N/A TYR 56.A N LEU 53.A O no hydrogen 3.199 N/A TYR 56.A OH ALA 31.A O no hydrogen 2.494 N/A PHE 57.A N SER 75.A O no hydrogen 2.825 N/A TYR 59.A N LEU 73.A O no hydrogen 2.804 N/A CYS 61.A N VAL 71.A O no hydrogen 2.964 N/A CYS 61.A SG.A TYR 97.A O no hydrogen 4.005 N/A CYS 61.A SG.B TYR 97.A O no hydrogen 3.306 N/A GLU 64.A N ARG 93.A O no hydrogen 3.271 N/A GLU 67.A N GLU 67.A OE1 no hydrogen 2.715 N/A GLN 68.A N LEU 65.A O no hydrogen 2.931 N/A GLY 69.A N PRO 66.A O no hydrogen 3.384 N/A GLY 70.A N TYR 94.A O no hydrogen 3.175 N/A VAL 71.A N CYS 61.A O no hydrogen 3.068 N/A ALA 72.A N LEU 36.A O no hydrogen 3.067 N/A LEU 73.A N TYR 59.A O no hydrogen 2.876 N/A TYR 74.A N ILE 34.A O no hydrogen 2.824 N/A TYR 74.A OH PHE 51.A O no hydrogen 2.653 N/A SER 75.A N PHE 57.A O no hydrogen 2.881 N/A SER 75.A OG LEU 77.A O no hydrogen 2.657 N/A ARG 76.A N ASP 32.A O no hydrogen 3.149 N/A ARG 76.A NH1 ASP 32.A OD1 no hydrogen 3.074 N/A ARG 76.A NH2 ASN 30.A OD1 no hydrogen 2.725 N/A LYS 80.A N ASP 101.A O no hydrogen 2.858 N/A ILE 83.A N GLN 99.A O no hydrogen 2.910 N/A GLY 85.A N TYR 97.A O no hydrogen 2.964 N/A LEU 86.A N ASP 92.A OD1 no hydrogen 2.661 N/A GLY 87.A N ASP 92.A OD1 no hydrogen 3.208 N/A GLY 87.A N ASP 92.A OD2 no hydrogen 3.034 N/A ALA 91.A N PHE 88.A O no hydrogen 3.190 N/A ASP 92.A N PHE 88.A O no hydrogen 2.917 N/A ARG 93.A N GLU 89.A O no hydrogen 3.162 N/A ARG 93.A NE GLU 64.A OE1 no hydrogen 3.067 N/A ARG 93.A NE GLU 64.A OE2 no hydrogen 3.266 N/A ARG 93.A NH2 GLU 64.A OE1 no hydrogen 2.673 N/A TYR 94.A N ALA 91.A O no hydrogen 3.194 N/A ARG 96.A N ALA 91.A O no hydrogen 3.294 N/A ARG 96.A NH1 THR 90.A O no hydrogen 2.809 N/A ARG 96.A NH1 GLN 124.A OE1 no hydrogen 3.231 N/A ARG 96.A NH2 GLN 124.A OE1 no hydrogen 3.145 N/A TYR 97.A OH GLN 99.A OE1 no hydrogen 2.647 N/A LEU 98.A N THR 109.A O no hydrogen 3.093 N/A GLN 99.A N ILE 83.A O no hydrogen 2.791 N/A GLN 99.A NE2 ASP 101.A OD1 no hydrogen 2.786 N/A ALA 100.A N ILE 107.A O no hydrogen 2.868 N/A ASP 101.A N ALA 81.A O no hydrogen 2.930 N/A PHE 102.A N VAL 105.A O no hydrogen 2.836 N/A ASP 103.A N SER 261.A O no hydrogen 2.911 N/A SER 106.A N GLU 145.A O no hydrogen 2.934 N/A SER 106.A OG ASP 101.A OD1 no hydrogen 2.514 N/A ILE 107.A N ALA 100.A O no hydrogen 2.818 N/A ALA 108.A N ILE 147.A O no hydrogen 2.862 N/A THR 109.A N LEU 98.A O no hydrogen 2.850 N/A THR 109.A OG1 LEU 36.A O no hydrogen 2.841 N/A LEU 110.A N CYS 149.A O no hydrogen 2.939 N/A LEU 111.A N ARG 96.A O no hydrogen 2.823 N/A LEU 112.A N SER 151.A O no hydrogen 3.105 N/A GLN 116.A N SER 114.A OG no hydrogen 3.000 N/A SER 117.A N SER 121.A OG no hydrogen 3.164 N/A SER 121.A OG GLY 118.A O no hydrogen 2.568 N/A LEU 122.A N GLY 118.A O no hydrogen 3.189 N/A ASN 123.A N ASP 119.A O no hydrogen 3.100 N/A GLN 124.A N GLU 120.A O no hydrogen 3.099 N/A GLN 124.A NE2 TYR 94.A OH no hydrogen 3.102 N/A LYS 125.A N SER 121.A O no hydrogen 2.969 N/A LYS 125.A NZ SER 114.A O no hydrogen 2.867 N/A LYS 125.A NZ TYR 153.A O no hydrogen 2.661 N/A LYS 125.A NZ GLU 177.A OE2 no hydrogen 2.748 N/A PHE 126.A N LEU 122.A O no hydrogen 2.788 N/A LYS 127.A N ASN 123.A O no hydrogen 2.994 N/A LYS 127.A NZ ASP 131.A OD1 no hydrogen 3.222 N/A PHE 128.A N GLN 124.A O no hydrogen 3.050 N/A MET 129.A N LYS 125.A O no hydrogen 3.030 N/A ASP 130.A N PHE 126.A O no hydrogen 2.913 N/A ASP 131.A N LYS 127.A O no hydrogen 2.908 N/A PHE 132.A N PHE 128.A O no hydrogen 2.786 N/A THR 133.A N MET 129.A O no hydrogen 2.857 N/A THR 133.A OG1 MET 129.A O no hydrogen 3.086 N/A HIS 134.A N ASP 130.A O no hydrogen 3.151 N/A TYR 135.A N ASP 131.A O no hydrogen 3.023 N/A TYR 135.A OH TYR 148.A OH no hydrogen 2.747 N/A LEU 136.A N PHE 132.A O no hydrogen 2.824 N/A SER 137.A N THR 133.A O no hydrogen 2.822 N/A SER 137.A OG HIS 134.A O no hydrogen 2.802 N/A LYS 138.A N HIS 134.A O no hydrogen 3.166 N/A GLN 139.A N TYR 135.A O no hydrogen 2.868 N/A ARG 140.A N LEU 136.A O no hydrogen 2.988 N/A ARG 140.A NE LEU 188.A O no hydrogen 3.221 N/A ARG 141.A N LYS 138.A O no hydrogen 3.121 N/A LYS 142.A N GLN 139.A O no hydrogen 2.958 N/A LYS 142.A NZ GLN 139.A OE1 no hydrogen 3.115 N/A ARG 144.A NE SER 106.A OG no hydrogen 2.885 N/A ARG 144.A NH2 PHE 102.A O no hydrogen 2.777 N/A ARG 144.A NH2 SER 106.A OG no hydrogen 3.043 N/A GLU 145.A N LYS 104.A O no hydrogen 2.918 N/A TYR 146.A N THR 228.A OG1 no hydrogen 2.896 N/A ILE 147.A N SER 106.A O no hydrogen 2.897 N/A TYR 148.A N VAL 226.A O no hydrogen 2.866 N/A TYR 148.A OH TYR 135.A OH no hydrogen 2.747 N/A CYS 149.A N ALA 108.A O no hydrogen 2.716 N/A GLY 150.A N TYR 224.A O no hydrogen 2.801 N/A SER 151.A N LEU 110.A O no hydrogen 2.828 N/A SER 151.A OG ASP 223.A OD1 no hydrogen 2.764 N/A LEU 152.A N PHE 222.A O no hydrogen 2.848 N/A ALA 155.A N GLY 172.A O no hydrogen 2.830 N/A HIS 156.A NE2 ASP 182.A OD1 no hydrogen 2.632 N/A GLN 157.A N ASP 160.A OD2 no hydrogen 2.944 N/A ASP 160.A N GLN 157.A O no hydrogen 2.990 N/A VAL 161.A N LYS 158.A O no hydrogen 3.193 N/A LYS 162.A N GLY 219.A O no hydrogen 3.119 N/A LYS 162.A NZ ASP 202.A OD1 no hydrogen 3.267 N/A LYS 162.A NZ ASN 217.A O no hydrogen 3.530 N/A GLU 166.A N ASN 163.A O no hydrogen 3.149 N/A CYS 167.A N ASN 163.A O no hydrogen 3.180 N/A CYS 167.A SG LYS 162.A O no hydrogen 3.424 N/A CYS 167.A SG ASN 163.A O no hydrogen 3.341 N/A GLN 168.A N TRP 164.A O no hydrogen 3.237 N/A MET 170.A N CYS 167.A O no hydrogen 2.846 N/A GLY 172.A N GLU 177.A OE1 no hydrogen 2.619 N/A PHE 173.A N MET 170.A O no hydrogen 3.059 N/A LEU 174.A N GLU 177.A OE1 no hydrogen 2.989 N/A ARG 178.A N LEU 174.A O no hydrogen 2.877 N/A ARG 178.A NH1 PHE 173.A O no hydrogen 2.733 N/A ALA 179.A N ALA 175.A O no hydrogen 2.903 N/A TRP 180.A N PRO 176.A O no hydrogen 3.069 N/A LEU 181.A N GLU 177.A O no hydrogen 3.373 N/A ASP 182.A N ARG 178.A O no hydrogen 2.856 N/A GLU 183.A N ALA 179.A O no hydrogen 3.022 N/A VAL 184.A N TRP 180.A O no hydrogen 2.892 N/A PHE 185.A N LEU 181.A O no hydrogen 2.823 N/A ASN 187.A ND2 GLU 183.A OE2 no hydrogen 2.950 N/A LEU 188.A N GLU 183.A O no hydrogen 2.902 N/A GLY 189.A N GLY 186.A O no hydrogen 2.934 N/A TYR 190.A N VAL 184.A O no hydrogen 3.095 N/A TYR 190.A OH LEU 136.A O no hydrogen 3.317 N/A ALA 191.A N LEU 227.A O no hydrogen 2.885 N/A ALA 193.A N GLN 225.A O no hydrogen 2.991 N/A ARG 195.A NH1 SER 198.A O no hydrogen 2.913 N/A ARG 195.A NH1 GLU 200.A O no hydrogen 2.926 N/A ARG 195.A NH2 ASP 160.A OD1 no hydrogen 2.867 N/A GLU 196.A N ASP 192.A O no hydrogen 3.068 N/A GLU 196.A N ALA 193.A O no hydrogen 3.024 N/A VAL 197.A N LEU 194.A O no hydrogen 2.961 N/A SER 198.A N LEU 194.A O no hydrogen 2.862 N/A SER 198.A OG GLN 203.A OE1 no hydrogen 2.764 N/A GLU 200.A N SER 198.A OG no hydrogen 3.179 N/A SER 205.A N TRP 220.A O no hydrogen 2.820 N/A SER 205.A OG TRP 220.A O no hydrogen 3.557 N/A SER 205.A OG ASP 223.A OD2 no hydrogen 2.718 N/A TRP 206.A N TRP 220.A O no hydrogen 2.923 N/A TRP 207.A N GLN 248.A O no hydrogen 3.198 N/A TRP 207.A NE1 ASN 217.A OD1 no hydrogen 2.801 N/A SER 210.A N PRO 208.A O no hydrogen 3.215 N/A ALA 213.A N SER 210.A OG no hydrogen 3.314 N/A GLU 214.A N SER 210.A O no hydrogen 3.279 N/A MET 215.A N GLU 211.A O no hydrogen 2.871 N/A LEU 216.A N GLN 212.A O no hydrogen 3.096 N/A LEU 218.A N ALA 213.A O no hydrogen 2.983 N/A TRP 220.A N TRP 206.A O no hydrogen 2.898 N/A ARG 221.A N ASP 160.A O no hydrogen 2.738 N/A ARG 221.A NE ASP 160.A OD1 no hydrogen 2.819 N/A ARG 221.A NH1 ASP 192.A OD1 no hydrogen 2.976 N/A ARG 221.A NH1 ASP 192.A OD2 no hydrogen 3.306 N/A ARG 221.A NH2 ASP 160.A OD1 no hydrogen 3.072 N/A ARG 221.A NH2 ASP 192.A OD2 no hydrogen 2.781 N/A PHE 222.A N SER 205.A OG no hydrogen 2.969 N/A ASP 223.A N SER 205.A OG no hydrogen 3.184 N/A TYR 224.A N GLY 150.A O no hydrogen 2.906 N/A TYR 224.A OH VAL 154.A O no hydrogen 2.631 N/A GLN 225.A NE2 ILE 6.A O no hydrogen 3.093 N/A VAL 226.A N TYR 148.A O no hydrogen 2.814 N/A LEU 227.A N ALA 191.A O no hydrogen 2.802 N/A THR 228.A N TYR 146.A O no hydrogen 3.023 N/A THR 228.A OG1 GLU 145.A OE1 no hydrogen 2.650 N/A THR 228.A OG1 TYR 146.A O no hydrogen 3.343 N/A LEU 231.A N THR 228.A O no hydrogen 2.885 N/A ARG 232.A N PRO 229.A O no hydrogen 3.120 N/A ARG 233.A NH2 GLU 196.A OE1 no hydrogen 2.661 N/A PHE 234.A N LEU 231.A O no hydrogen 3.049 N/A ARG 236.A N ASP 255.A O no hydrogen 2.765 N/A ARG 236.A NE ASP 257.A OD1 no hydrogen 2.791 N/A ARG 236.A NH2 ASP 257.A OD1 no hydrogen 3.096 N/A ASN 237.A N ASP 255.A O no hydrogen 3.212 N/A LYS 239.A N ILE 253.A O no hydrogen 2.971 N/A ARG 242.A NH1 GLU 214.A OE2.B no hydrogen 2.464 N/A ARG 242.A NH2 GLU 214.A O no hydrogen 2.994 N/A ARG 245.A NH1 GLU 214.A OE2.B no hydrogen 3.334 N/A ARG 245.A NH1 ARG 242.A O no hydrogen 2.720 N/A ARG 245.A NH2 GLU 214.A OE2.B no hydrogen 2.901 N/A SER 247.A OG ASN 10.A O no hydrogen 2.679 N/A SER 247.A OG HIS 249.A O no hydrogen 3.237 N/A GLN 248.A N ASN 12.A OD1 no hydrogen 2.989 N/A HIS 249.A N SER 247.A OG no hydrogen 3.215 N/A HIS 249.A ND1 ASP 223.A OD2 no hydrogen 2.787 N/A HIS 249.A NE2 TYR 153.A OH no hydrogen 2.885 N/A ALA 250.A N SER 205.A O no hydrogen 2.718 N/A LEU 252.A N SER 8.A O no hydrogen 2.834 N/A ILE 253.A N LYS 239.A O no hydrogen 2.870 N/A VAL 254.A N ILE 6.A O no hydrogen 2.871 N/A ASP 255.A N ASN 237.A O no hydrogen 2.891 N/A TYR 256.A N MET 4.A O no hydrogen 2.857 N/A TYR 256.A OH GLN 225.A OE1 no hydrogen 2.604 N/A ASP 257.A N PHE 234.A O no hydrogen 2.816 N/A