Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6cxe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A N MET 100.A O no hydrogen 3.456 N/A PHE 4.A N CYS 98.A O no hydrogen 3.023 N/A ARG 5.A N TRP 25.A O no hydrogen 2.826 N/A CYS 6.A N ALA 96.A O no hydrogen 2.649 N/A LEU 7.A N VAL 23.A O no hydrogen 2.850 N/A GLN 8.A N LEU 94.A O no hydrogen 2.886 N/A GLN 8.A NE2 TYR 67.A OH no hydrogen 3.291 N/A MET 9.A N ASP 21.A O no hydrogen 2.840 N/A SER 10.A N ILE 92.A O no hydrogen 2.833 N/A SER 10.A OG THR 20.A OG1 no hydrogen 2.713 N/A SER 11.A N ARG 19.A O no hydrogen 3.022 N/A SER 11.A OG GLU 91.A OE1 no hydrogen 2.541 N/A SER 11.A OG GLU 91.A OE2 no hydrogen 3.325 N/A PHE 12.A N ILE 90.A O no hydrogen 2.827 N/A ALA 13.A N TRP 17.A O no hydrogen 3.064 N/A SER 16.A N ASN 14.A OD1 no hydrogen 3.273 N/A SER 16.A OG ASN 14.A OD1 no hydrogen 3.186 N/A TRP 17.A N ASN 14.A OD1 no hydrogen 2.983 N/A ARG 19.A N SER 11.A O no hydrogen 3.079 N/A ARG 19.A NE ASP 21.A OD2 no hydrogen 2.755 N/A ARG 19.A NH2 ASP 21.A OD1 no hydrogen 2.985 N/A ARG 19.A NH2 ASP 21.A OD2 no hydrogen 3.468 N/A THR 20.A N ASN 36.A OD1 no hydrogen 2.832 N/A THR 20.A OG1 SER 10.A OG no hydrogen 2.713 N/A ASP 21.A N MET 9.A O no hydrogen 2.922 N/A SER 22.A N TRP 34.A O no hydrogen 2.850 N/A VAL 23.A N LEU 7.A O no hydrogen 2.899 N/A VAL 24.A N HIS 32.A O no hydrogen 3.051 N/A TRP 25.A N ARG 5.A O no hydrogen 2.807 N/A LEU 26.A N LEU 29.A O no hydrogen 2.848 N/A GLY 27.A N THR 3.A O no hydrogen 2.910 N/A LEU 29.A N LEU 26.A O no hydrogen 3.032 N/A GLN 30.A N GLU 233.A OE1 no hydrogen 3.120 N/A GLN 30.A NE2 HIS 32.A O no hydrogen 3.158 N/A THR 31.A N VAL 24.A O no hydrogen 2.800 N/A THR 31.A OG1 VAL 24.A O no hydrogen 3.392 N/A THR 31.A OG1 HIS 32.A ND1 no hydrogen 2.844 N/A HIS 32.A N VAL 24.A O no hydrogen 3.518 N/A HIS 32.A ND1 THR 31.A OG1 no hydrogen 2.844 N/A HIS 32.A NE2 SER 48.A O no hydrogen 2.908 N/A ARG 33.A N SER 42.A O no hydrogen 2.945 N/A TRP 34.A N SER 22.A O no hydrogen 2.824 N/A TRP 34.A NE1 SER 38.A O no hydrogen 3.022 N/A SER 35.A OG ASP 37.A OD2 no hydrogen 3.067 N/A ASN 36.A N ASP 21.A OD1 no hydrogen 2.733 N/A ASP 37.A N SER 35.A OG no hydrogen 3.179 N/A SER 38.A N SER 35.A O no hydrogen 3.018 N/A SER 38.A OG THR 40.A O no hydrogen 2.649 N/A THR 40.A N SER 38.A OG no hydrogen 3.162 N/A ILE 41.A N GLN 61.A OE1 no hydrogen 2.863 N/A SER 42.A N ARG 33.A O no hydrogen 2.763 N/A THR 44.A N THR 31.A O no hydrogen 3.022 N/A THR 44.A OG1 GLN 30.A O no hydrogen 2.781 N/A LYS 45.A N SER 48.A OG no hydrogen 3.020 N/A LYS 45.A NZ GLN 30.A O no hydrogen 2.857 N/A LYS 45.A NZ GLU 233.A OE1 no hydrogen 3.439 N/A LYS 45.A NZ GLU 233.A OE2 no hydrogen 2.696 N/A TRP 47.A NE1 ASP 176.A OD2 no hydrogen 2.739 N/A SER 48.A N LYS 45.A O no hydrogen 3.416 N/A SER 48.A OG THR 31.A O no hydrogen 2.542 N/A SER 48.A OG LYS 45.A O no hydrogen 3.084 N/A GLN 49.A NE2 LEU 52.A O no hydrogen 2.813 N/A GLN 49.A NE2 ASN 54.A OD1 no hydrogen 3.071 N/A GLY 50.A N TRP 47.A O no hydrogen 2.786 N/A LYS 51.A NZ GLU 171.A OE1 no hydrogen 3.380 N/A LEU 52.A N GLN 49.A O no hydrogen 3.227 N/A GLN 56.A N SER 53.A OG no hydrogen 3.360 N/A TRP 57.A N SER 53.A O no hydrogen 3.027 N/A GLU 58.A N ASN 54.A O no hydrogen 2.939 N/A LYS 59.A N GLN 55.A O no hydrogen 3.096 N/A LEU 60.A N GLN 56.A O no hydrogen 2.966 N/A GLN 61.A N TRP 57.A O no hydrogen 2.803 N/A HIS 62.A N GLU 58.A O no hydrogen 2.943 N/A MET 63.A N LYS 59.A O no hydrogen 3.153 N/A PHE 64.A N LEU 60.A O no hydrogen 3.105 N/A GLN 65.A N GLN 61.A O no hydrogen 2.795 N/A GLN 65.A NE2 ALA 39.A O no hydrogen 2.996 N/A VAL 66.A N HIS 62.A O no hydrogen 2.953 N/A TYR 67.A N MET 63.A O no hydrogen 2.855 N/A ARG 68.A N PHE 64.A O no hydrogen 2.873 N/A ARG 68.A NH1 SER 35.A O no hydrogen 2.984 N/A ARG 68.A NH1 SER 38.A O no hydrogen 3.235 N/A ARG 68.A NH2 SER 38.A O no hydrogen 2.861 N/A SER 70.A N VAL 66.A O no hydrogen 3.024 N/A SER 70.A OG VAL 66.A O no hydrogen 2.850 N/A PHE 71.A N TYR 67.A O no hydrogen 2.716 N/A THR 72.A N ARG 68.A O no hydrogen 3.197 N/A THR 72.A OG1 ARG 68.A O no hydrogen 2.922 N/A ARG 73.A N VAL 69.A O no hydrogen 3.334 N/A ASP 74.A N SER 70.A O no hydrogen 2.906 N/A ILE 75.A N PHE 71.A O no hydrogen 3.010 N/A GLN 76.A N THR 72.A O no hydrogen 3.273 N/A GLU 77.A N ARG 73.A O no hydrogen 2.821 N/A LEU 78.A N ASP 74.A O no hydrogen 2.766 N/A VAL 79.A N ILE 75.A O no hydrogen 2.881 N/A LYS 80.A N GLN 76.A O no hydrogen 3.289 N/A LYS 80.A NZ GLU 77.A OE1 no hydrogen 2.846 N/A MET 81.A N GLU 77.A O no hydrogen 2.846 N/A MET 82.A N LEU 78.A O no hydrogen 2.943 N/A SER 83.A N VAL 79.A O no hydrogen 2.914 N/A LYS 85.A N MET 82.A O no hydrogen 2.841 N/A TYR 88.A N ASP 87.A OD1 no hydrogen 2.876 N/A ILE 90.A N PHE 12.A O no hydrogen 2.823 N/A GLU 91.A N GLN 115.A OE1 no hydrogen 2.798 N/A ILE 92.A N SER 10.A O no hydrogen 2.960 N/A GLN 93.A N ALA 113.A O no hydrogen 2.951 N/A LEU 94.A N GLN 8.A O no hydrogen 2.819 N/A SER 95.A N HIS 111.A O no hydrogen 2.812 N/A ALA 96.A N CYS 6.A O no hydrogen 2.993 N/A GLY 97.A N PHE 109.A O no hydrogen 2.995 N/A CYS 98.A N PHE 4.A O no hydrogen 3.179 N/A GLU 99.A N GLU 107.A O no hydrogen 2.787 N/A MET 100.A N TYR 2.A O no hydrogen 2.804 N/A TYR 101.A N ALA 105.A O no hydrogen 2.881 N/A GLU 107.A N GLU 99.A O no hydrogen 3.109 N/A SER 108.A OG LEU 158.A O no hydrogen 2.430 N/A PHE 109.A N GLY 97.A O no hydrogen 2.810 N/A HIS 111.A N SER 95.A O no hydrogen 2.750 N/A VAL 112.A N VAL 120.A O no hydrogen 2.759 N/A ALA 113.A N GLN 93.A O no hydrogen 2.775 N/A PHE 114.A N LYS 117.A O no hydrogen 2.753 N/A GLN 115.A N GLU 91.A O no hydrogen 2.950 N/A GLN 115.A NE2 PRO 89.A O no hydrogen 3.027 N/A LYS 117.A N PHE 114.A O no hydrogen 3.117 N/A VAL 119.A N VAL 112.A O no hydrogen 2.985 N/A VAL 120.A N VAL 112.A O no hydrogen 3.228 N/A ARG 121.A N GLN 128.A O no hydrogen 2.906 N/A ARG 121.A NE GLN 128.A OE1 no hydrogen 2.760 N/A ARG 121.A NH2 GLN 128.A OE1 no hydrogen 2.872 N/A PHE 122.A N LEU 110.A O no hydrogen 3.047 N/A TRP 123.A N SER 126.A O no hydrogen 3.012 N/A SER 126.A N TRP 123.A O no hydrogen 3.368 N/A TRP 127.A N ASN 145.A OD1 no hydrogen 2.905 N/A GLN 128.A N ARG 121.A O no hydrogen 2.878 N/A VAL 130.A N VAL 119.A O no hydrogen 3.142 N/A ALA 133.A N VAL 130.A O no hydrogen 3.242 N/A LEU 137.A N PRO 134.A O no hydrogen 3.405 N/A ASP 138.A N SER 135.A O no hydrogen 3.105 N/A LEU 139.A N TRP 136.A O no hydrogen 3.464 N/A ILE 141.A N LEU 137.A O no hydrogen 2.964 N/A LYS 142.A N ASP 138.A O no hydrogen 3.058 N/A VAL 143.A N LEU 139.A O no hydrogen 2.962 N/A LEU 144.A N PRO 140.A O no hydrogen 2.835 N/A ASN 145.A N ILE 141.A O no hydrogen 2.807 N/A ASN 145.A ND2 TRP 127.A O no hydrogen 3.069 N/A ALA 146.A N LYS 142.A O no hydrogen 3.067 N/A ALA 146.A N VAL 143.A O no hydrogen 3.179 N/A ASP 147.A N LEU 144.A O no hydrogen 3.193 N/A THR 150.A N ASP 147.A OD1 no hydrogen 3.120 N/A THR 150.A OG1 ASP 147.A OD2 no hydrogen 2.640 N/A SER 151.A N ASP 147.A O no hydrogen 3.257 N/A SER 151.A OG THR 125.A O no hydrogen 2.688 N/A ALA 152.A N GLN 148.A O no hydrogen 2.936 N/A THR 153.A N GLY 149.A O no hydrogen 3.114 N/A THR 153.A OG1 GLY 149.A O no hydrogen 3.041 N/A VAL 154.A N THR 150.A O no hydrogen 2.788 N/A GLN 155.A N SER 151.A O no hydrogen 2.950 N/A GLN 155.A NE2 SER 151.A O no hydrogen 3.317 N/A GLN 155.A NE2 SER 151.A OG no hydrogen 2.955 N/A MET 156.A N ALA 152.A O no hydrogen 3.181 N/A LEU 157.A N THR 153.A O no hydrogen 2.913 N/A LEU 158.A N VAL 154.A O no hydrogen 2.936 N/A ASN 159.A N GLN 155.A O no hydrogen 2.845 N/A ASP 160.A N MET 156.A O no hydrogen 2.931 N/A THR 161.A N MET 156.A O no hydrogen 2.974 N/A THR 161.A OG1 MET 156.A O no hydrogen 3.396 N/A CYS 162.A N LEU 157.A O no hydrogen 2.787 N/A LEU 164.A N ASP 160.A O no hydrogen 3.165 N/A PHE 165.A N THR 161.A O no hydrogen 2.827 N/A VAL 166.A N CYS 162.A O no hydrogen 2.973 N/A ARG 167.A N PRO 163.A O no hydrogen 2.970 N/A GLY 168.A N LEU 164.A O no hydrogen 3.247 N/A LEU 169.A N PHE 165.A O no hydrogen 2.940 N/A LEU 170.A N VAL 166.A O no hydrogen 2.887 N/A GLU 171.A N ARG 167.A O no hydrogen 3.210 N/A ALA 172.A N GLY 168.A O no hydrogen 2.885 N/A GLY 173.A N LEU 169.A O no hydrogen 2.640 N/A LYS 174.A N GLU 171.A O no hydrogen 3.509 N/A LEU 177.A N GLY 173.A O no hydrogen 2.871 N/A GLU 178.A N LYS 174.A O no hydrogen 2.797 N/A LYS 179.A N ASP 176.A O no hydrogen 3.360 N/A LYS 179.A NZ GLU 233.A O no hydrogen 2.895 N/A GLU 181.A N TYR 204.A O no hydrogen 2.803 N/A VAL 184.A N SER 201.A O no hydrogen 2.739 N/A TRP 186.A N HIS 199.A O no hydrogen 3.055 N/A SER 188.A N VAL 197.A O no hydrogen 3.129 N/A SER 188.A OG HIS 199.A NE2 no hydrogen 2.813 N/A VAL 190.A N GLN 195.A O no hydrogen 2.917 N/A ARG 194.A N VAL 243.A O no hydrogen 3.026 N/A ARG 194.A NH1 SER 189.A OG no hydrogen 2.850 N/A GLN 195.A N VAL 190.A O no hydrogen 2.729 N/A GLN 195.A NE2 ASP 242.A OD1 no hydrogen 2.805 N/A LEU 196.A N LEU 241.A O no hydrogen 2.996 N/A VAL 197.A N SER 188.A O no hydrogen 2.773 N/A CYS 198.A N ALA 239.A O no hydrogen 2.927 N/A HIS 199.A N TRP 186.A O no hydrogen 2.880 N/A HIS 199.A ND1 TYR 236.A OH no hydrogen 2.776 N/A HIS 199.A NE2 SER 188.A OG no hydrogen 2.813 N/A VAL 200.A N LEU 237.A O no hydrogen 2.764 N/A SER 201.A N VAL 184.A O no hydrogen 2.975 N/A GLY 202.A N TRP 235.A O no hydrogen 2.990 N/A TYR 204.A N GLU 181.A O no hydrogen 3.115 N/A TYR 204.A OH ASP 28.A OD1 no hydrogen 2.711 N/A TRP 209.A N LYS 256.A O no hydrogen 2.790 N/A MET 211.A N ARG 254.A O no hydrogen 2.930 N/A TRP 212.A N THR 222.A OG1 no hydrogen 3.185 N/A TRP 212.A NE1 ALA 239.A O no hydrogen 3.011 N/A MET 213.A N ALA 252.A O no hydrogen 2.660 N/A ARG 214.A N GLN 217.A O no hydrogen 2.903 N/A ARG 214.A NH2 GLU 247.A O no hydrogen 3.085 N/A GLN 217.A N ARG 214.A O no hydrogen 3.077 N/A GLN 219.A N TRP 212.A O no hydrogen 2.793 N/A THR 222.A OG1 GLN 219.A O no hydrogen 3.136 N/A HIS 223.A N THR 240.A O no hydrogen 2.796 N/A ARG 224.A NE GLY 225.A O no hydrogen 3.020 N/A GLY 225.A N GLN 238.A O no hydrogen 2.757 N/A LEU 228.A N TYR 236.A O no hydrogen 2.821 N/A ASN 230.A N THR 234.A O no hydrogen 2.901 N/A ASN 230.A ND2 SER 201.A OG no hydrogen 3.329 N/A ASN 230.A ND2 THR 234.A OG1 no hydrogen 2.974 N/A THR 234.A OG1 ASP 232.A OD1 no hydrogen 2.693 N/A TRP 235.A N PHE 203.A O no hydrogen 2.810 N/A TRP 235.A NE1 ASP 28.A OD2 no hydrogen 2.971 N/A TYR 236.A N LEU 228.A O no hydrogen 2.716 N/A TYR 236.A OH HIS 199.A ND1 no hydrogen 2.776 N/A LEU 237.A N VAL 200.A O no hydrogen 2.792 N/A ALA 239.A N CYS 198.A O no hydrogen 2.945 N/A THR 240.A N HIS 223.A O no hydrogen 2.923 N/A THR 240.A OG1 HIS 223.A O no hydrogen 3.432 N/A LEU 241.A N LEU 196.A O no hydrogen 3.084 N/A VAL 243.A N ARG 194.A O no hydrogen 2.971 N/A ALA 245.A N GLY 192.A O no hydrogen 2.932 N/A GLY 246.A N GLU 248.A OE1 no hydrogen 2.715 N/A GLU 247.A N GLU 244.A O no hydrogen 3.190 N/A GLU 248.A N GLU 248.A OE1 no hydrogen 2.901 N/A LEU 251.A N GLU 248.A O no hydrogen 3.428 N/A ALA 252.A N MET 213.A O no hydrogen 2.756 N/A CYS 253.A N LEU 267.A O no hydrogen 2.916 N/A ARG 254.A N MET 211.A O no hydrogen 2.778 N/A ARG 254.A NE ASP 264.A OD2 no hydrogen 2.889 N/A ARG 254.A NH2 ASP 264.A OD2 no hydrogen 3.036 N/A VAL 255.A N ILE 265.A O no hydrogen 2.942 N/A LYS 256.A N TRP 209.A O no hydrogen 2.681 N/A LYS 256.A NZ ASP 264.A OD2 no hydrogen 2.694 N/A HIS 257.A ND1 PRO 207.A O no hydrogen 3.091 N/A HIS 257.A NE2 TYR 204.A O no hydrogen 3.229 N/A SER 258.A OG GLN 180.A OE1 no hydrogen 2.854 N/A SER 259.A OG GLU 181.A O no hydrogen 3.208 N/A LEU 260.A N HIS 257.A O no hydrogen 3.008 N/A ILE 265.A N VAL 255.A O no hydrogen 3.295 N/A LEU 267.A N CYS 253.A O no hydrogen 3.087 N/A TRP 269.A N LEU 251.A O no hydrogen 2.780 N/A