Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qcg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N TYR 253.A OH no hydrogen 2.824 N/A GLY 7.A N GLN 27.A OE1 no hydrogen 2.876 N/A ALA 8.A N SER 5.A OG no hydrogen 3.150 N/A ARG 9.A N SER 5.A O no hydrogen 3.003 N/A ARG 9.A NE PRO 189.A O no hydrogen 2.816 N/A ARG 9.A NH1 ASP 224.A OD1 no hydrogen 2.938 N/A ARG 9.A NH2 PRO 189.A O no hydrogen 3.115 N/A ARG 9.A NH2 ASP 224.A OD2 no hydrogen 3.322 N/A ALA 10.A N PHE 6.A O no hydrogen 3.051 N/A GLU 11.A N ALA 8.A O no hydrogen 3.106 N/A LEU 12.A N.A ARG 9.A O no hydrogen 3.203 N/A LEU 12.A N.B ARG 9.A O no hydrogen 3.201 N/A ILE 15.A N LEU 12.A O.A no hydrogen 2.983 N/A ILE 15.A N LEU 12.A O.B no hydrogen 2.973 N/A VAL 18.A N HIS 16.A ND1 no hydrogen 3.130 N/A SER 20.A N HIS 16.A O no hydrogen 2.826 N/A SER 20.A OG ALA 10.A O no hydrogen 2.640 N/A LYS 21.A N PRO 17.A O no hydrogen 2.973 N/A LEU 22.A N VAL 18.A O no hydrogen 3.120 N/A LEU 23.A N ALA 19.A O no hydrogen 2.970 N/A ARG 24.A N SER 20.A O no hydrogen 2.978 N/A ARG 24.A NE SER 20.A OG no hydrogen 3.166 N/A LEU 25.A N LYS 21.A O no hydrogen 3.307 N/A MET 26.A N LEU 22.A O no hydrogen 2.888 N/A GLN 27.A N LEU 23.A O no hydrogen 3.144 N/A LYS 28.A N ARG 24.A O no hydrogen 2.958 N/A LYS 28.A NZ GLU 85.A OE1 no hydrogen 2.727 N/A LYS 28.A NZ GLU 85.A OE2 no hydrogen 3.435 N/A LYS 29.A N LEU 25.A O no hydrogen 2.857 N/A LYS 29.A NZ GLY 53.A O no hydrogen 2.851 N/A LYS 29.A NZ ILE 56.A O no hydrogen 2.596 N/A LYS 29.A NZ HIS 84.A O no hydrogen 2.965 N/A LYS 29.A NZ GLU 85.A O no hydrogen 2.999 N/A THR 31.A N MET 26.A O no hydrogen 3.060 N/A THR 31.A OG1 SER 55.A O no hydrogen 2.728 N/A ASN 32.A ND2 ASP 224.A O no hydrogen 2.742 N/A ASN 32.A ND2 ALA 249.A O no hydrogen 3.051 N/A LEU 33.A N THR 31.A OG1 no hydrogen 3.245 N/A CYS 34.A N ILE 226.A O no hydrogen 2.835 N/A CYS 34.A SG LEU 35.A O no hydrogen 3.992 N/A CYS 34.A SG MET 58.A O no hydrogen 3.806 N/A LEU 35.A N MET 58.A O no hydrogen 2.963 N/A SER 36.A N VAL 228.A O no hydrogen 2.831 N/A SER 36.A OG ASP 38.A OD1 no hydrogen 3.550 N/A SER 36.A OG ASP 38.A OD2 no hydrogen 2.965 N/A ALA 37.A N LYS 60.A O no hydrogen 3.061 N/A ASP 38.A N SER 36.A O no hydrogen 3.083 N/A ALA 42.A N ASP 68.A OD1 no hydrogen 2.875 N/A ALA 42.A N ASP 68.A OD2 no hydrogen 3.462 N/A GLU 44.A N LEU 41.A O no hydrogen 2.955 N/A LEU 45.A N LEU 41.A O no hydrogen 2.935 N/A LEU 46.A N ALA 42.A O no hydrogen 2.657 N/A GLN 47.A N ARG 43.A O no hydrogen 2.937 N/A LEU 48.A N GLU 44.A O no hydrogen 3.005 N/A ALA 49.A N LEU 45.A O no hydrogen 3.105 N/A ASP 50.A N LEU 46.A O no hydrogen 3.185 N/A ALA 51.A N GLN 47.A O no hydrogen 3.038 N/A LEU 52.A N LEU 48.A O no hydrogen 2.880 N/A SER 55.A N LEU 52.A O no hydrogen 2.817 N/A SER 55.A OG GLU 243.A OE2 no hydrogen 2.814 N/A ILE 56.A N GLY 53.A O no hydrogen 3.392 N/A CYS 57.A N LEU 33.A O no hydrogen 2.862 N/A CYS 57.A SG LEU 33.A O no hydrogen 3.599 N/A LEU 59.A N LEU 87.A O no hydrogen 2.901 N/A LYS 60.A N LEU 35.A O no hydrogen 2.733 N/A LYS 60.A NZ SER 36.A OG no hydrogen 3.314 N/A LYS 60.A NZ ASP 91.A OD2 no hydrogen 2.784 N/A THR 61.A N PHE 89.A O no hydrogen 2.715 N/A THR 61.A OG1 GLU 90.A OE1 no hydrogen 2.640 N/A HIS 62.A ND1 ASP 38.A OD1 no hydrogen 2.900 N/A VAL 63.A N.A GLU 90.A OE1 no hydrogen 3.090 N/A VAL 63.A N.B GLU 90.A OE1 no hydrogen 3.107 N/A ILE 65.A N HIS 62.A O no hydrogen 2.985 N/A LEU 66.A N VAL 63.A O.A no hydrogen 3.239 N/A LEU 66.A N VAL 63.A O.B no hydrogen 3.229 N/A ASN 67.A N SER 40.A O no hydrogen 2.856 N/A VAL 73.A N THR 70.A O no hydrogen 3.152 N/A VAL 73.A N THR 70.A OG1 no hydrogen 3.306 N/A LYS 75.A N LEU 71.A O no hydrogen 3.130 N/A GLU 76.A N ASP 72.A O no hydrogen 3.108 N/A LEU 77.A N VAL 73.A O no hydrogen 2.884 N/A ILE 78.A N.A MET 74.A O no hydrogen 3.026 N/A ILE 78.A N.B MET 74.A O no hydrogen 3.026 N/A THR 79.A N LYS 75.A O no hydrogen 3.208 N/A THR 79.A OG1 LYS 75.A O no hydrogen 3.215 N/A LEU 80.A N GLU 76.A O no hydrogen 3.151 N/A ALA 81.A N LEU 77.A O no hydrogen 2.926 N/A LYS 82.A N ILE 78.A O.A no hydrogen 2.785 N/A LYS 82.A N ILE 78.A O.B no hydrogen 2.792 N/A CYS 83.A N THR 79.A O no hydrogen 2.933 N/A HIS 84.A N LEU 80.A O no hydrogen 2.809 N/A HIS 84.A NE2 ASP 50.A OD1 no hydrogen 2.653 N/A PHE 86.A N ALA 81.A O no hydrogen 3.064 N/A LEU 87.A N CYS 57.A O no hydrogen 3.264 N/A ILE 88.A N ASP 117.A OD2 no hydrogen 2.898 N/A PHE 89.A N LEU 59.A O no hydrogen 2.851 N/A GLU 90.A N LEU 118.A O no hydrogen 3.068 N/A ASP 91.A N THR 61.A O no hydrogen 2.810 N/A ARG 92.A N GLU 90.A O no hydrogen 2.761 N/A ARG 92.A NH1 ARG 92.A O no hydrogen 2.713 N/A LYS 93.A N ASN 120.A OD1 no hydrogen 2.937 N/A LYS 93.A NZ ASP 91.A O no hydrogen 3.095 N/A LYS 93.A NZ ASP 91.A OD1 no hydrogen 3.091 N/A PHE 94.A N ASN 120.A O no hydrogen 3.203 N/A ILE 97.A N ASP 96.A OD1 no hydrogen 2.608 N/A THR 100.A N ILE 97.A O no hydrogen 2.962 N/A VAL 101.A N ILE 97.A O no hydrogen 3.174 N/A LYS 102.A N GLY 98.A O no hydrogen 3.371 N/A LYS 102.A NZ ASN 99.A O no hydrogen 3.163 N/A LYS 103.A N THR 100.A O no hydrogen 3.147 N/A GLN 104.A N THR 100.A O no hydrogen 3.135 N/A TYR 105.A N VAL 101.A O no hydrogen 2.778 N/A GLU 106.A N LYS 102.A O no hydrogen 3.005 N/A GLY 107.A N LYS 103.A O no hydrogen 2.836 N/A LYS 111.A N GLY 107.A O no hydrogen 3.314 N/A LYS 111.A NZ GLU 106.A O no hydrogen 2.910 N/A ALA 113.A N TYR 105.A O no hydrogen 2.982 N/A SER 114.A N.A LYS 111.A O no hydrogen 2.892 N/A SER 114.A N.B LYS 111.A O no hydrogen 2.892 N/A SER 114.A OG.A LYS 111.A O no hydrogen 2.577 N/A TRP 115.A N ILE 112.A O no hydrogen 2.976 N/A TRP 115.A NE1 PHE 110.A O no hydrogen 2.785 N/A ALA 116.A N ILE 112.A O no hydrogen 2.873 N/A ASP 117.A N ILE 88.A O no hydrogen 2.999 N/A LEU 118.A N ILE 88.A O no hydrogen 3.092 N/A ASN 120.A ND2 ASP 91.A OD1 no hydrogen 2.789 N/A ALA 121.A N LEU 145.A O no hydrogen 2.848 N/A HIS 122.A N PHE 94.A O no hydrogen 2.750 N/A GLY 126.A N VAL 123.A O no hydrogen 2.916 N/A VAL 129.A N GLY 126.A O no hydrogen 3.231 N/A VAL 130.A N SER 127.A O no hydrogen 2.869 N/A LYS 131.A N SER 127.A O no hydrogen 3.090 N/A LYS 131.A NZ HIS 172.A NE2 no hydrogen 3.174 N/A GLY 132.A N GLY 128.A O no hydrogen 3.012 N/A LEU 133.A N VAL 129.A O no hydrogen 3.369 N/A GLN 134.A N VAL 130.A O no hydrogen 2.826 N/A GLU 135.A N LYS 131.A O no hydrogen 3.480 N/A VAL 136.A N LEU 133.A O no hydrogen 2.659 N/A GLY 137.A N LEU 133.A O no hydrogen 2.825 N/A LEU 138.A N GLN 134.A O no hydrogen 2.852 N/A HIS 141.A N LEU 138.A O no hydrogen 2.933 N/A ARG 142.A N GLY 137.A O no hydrogen 2.868 N/A ARG 142.A NE ALA 113.A O no hydrogen 2.799 N/A ARG 142.A NH2 ALA 113.A O no hydrogen 2.893 N/A GLY 143.A N ASP 117.A O no hydrogen 3.034 N/A CYS 144.A N PHE 175.A O no hydrogen 2.797 N/A CYS 144.A SG VAL 119.A O no hydrogen 3.772 N/A CYS 144.A SG LEU 145.A O no hydrogen 4.005 N/A LEU 145.A N VAL 119.A O no hydrogen 2.832 N/A LEU 146.A N GLY 178.A O no hydrogen 3.040 N/A ILE 147.A N ALA 121.A O no hydrogen 3.076 N/A ALA 148.A N ILE 180.A O no hydrogen 2.977 N/A GLU 149.A N ILE 180.A O no hydrogen 3.392 N/A SER 151.A OG GLN 209.A OE1 no hydrogen 2.741 N/A THR 153.A N GLY 208.A O no hydrogen 2.768 N/A SER 155.A N SER 152.A O no hydrogen 3.211 N/A ALA 157.A N SER 155.A OG no hydrogen 3.215 N/A THR 158.A N LEU 156.A O no hydrogen 2.825 N/A TYR 161.A N THR 158.A O no hydrogen 2.965 N/A THR 162.A OG1 ALA 148.A O no hydrogen 3.009 N/A ARG 163.A N GLY 159.A O no hydrogen 3.007 N/A ARG 163.A NE ASP 160.A OD1 no hydrogen 3.128 N/A ARG 163.A NH2 ASP 160.A OD1 no hydrogen 2.708 N/A ALA 164.A N ASP 160.A O no hydrogen 2.864 N/A ALA 165.A N TYR 161.A O no hydrogen 3.171 N/A VAL 166.A N THR 162.A O no hydrogen 3.237 N/A ARG 167.A N ARG 163.A O no hydrogen 3.041 N/A MET 168.A N ALA 164.A O no hydrogen 2.996 N/A ALA 169.A N ALA 165.A O no hydrogen 2.910 N/A GLU 170.A N VAL 166.A O no hydrogen 2.915 N/A GLU 171.A N ARG 167.A O no hydrogen 3.082 N/A HIS 172.A N ALA 169.A O no hydrogen 3.268 N/A HIS 172.A ND1 MET 168.A O no hydrogen 2.894 N/A PHE 175.A N HIS 172.A O no hydrogen 3.030 N/A VAL 176.A N HIS 172.A O no hydrogen 2.823 N/A VAL 177.A N CYS 144.A O no hydrogen 2.827 N/A PHE 179.A N LEU 192.A O no hydrogen 2.738 N/A ILE 180.A N LEU 146.A O no hydrogen 3.049 N/A SER 181.A N LEU 194.A O no hydrogen 3.013 N/A SER 181.A OG SER 183.A O no hydrogen 2.870 N/A GLY 182.A N GLU 149.A OE1 no hydrogen 2.845 N/A SER 183.A OG ARG 184.A O no hydrogen 3.462 N/A ARG 184.A N ARG 221.A O no hydrogen 2.978 N/A ARG 184.A NE GLY 222.A O no hydrogen 3.324 N/A ARG 184.A NH2 GLU 3.A OE1 no hydrogen 3.189 N/A ARG 184.A NH2 GLU 3.A OE2 no hydrogen 2.963 N/A VAL 185.A N HIS 193.A NE2 no hydrogen 2.970 N/A SER 186.A N HIS 193.A NE2 no hydrogen 3.314 N/A SER 186.A OG GLU 170.A OE2 no hydrogen 3.090 N/A LYS 188.A N SER 186.A OG no hydrogen 3.182 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.809 N/A PHE 191.A N LYS 188.A O no hydrogen 3.062 N/A LEU 192.A N VAL 177.A O no hydrogen 2.957 N/A HIS 193.A N ASP 224.A OD2 no hydrogen 2.865 N/A LEU 194.A N PHE 179.A O no hydrogen 2.866 N/A THR 195.A N ILE 225.A O no hydrogen 2.728 N/A THR 195.A OG1 SER 181.A O no hydrogen 2.863 N/A THR 195.A OG1 SER 223.A OG no hydrogen 2.403 N/A GLN 199.A N ASN 212.A O no hydrogen 3.012 N/A LEU 200.A N TYR 245.A OH no hydrogen 3.034 N/A ASP 205.A N GLN 209.A O no hydrogen 3.199 N/A LEU 207.A N ASP 205.A OD1 no hydrogen 2.855 N/A GLN 209.A N ASP 205.A OD1 no hydrogen 2.961 N/A GLN 210.A N GLN 209.A OE1 no hydrogen 3.164 N/A GLN 210.A NE2 SER 151.A O no hydrogen 2.979 N/A TYR 211.A N GLY 203.A O no hydrogen 2.945 N/A ASN 212.A N GLY 197.A O no hydrogen 3.074 N/A GLU 216.A N SER 213.A OG no hydrogen 3.386 N/A VAL 217.A N SER 213.A O no hydrogen 3.001 N/A ILE 218.A N PRO 214.A O no hydrogen 2.780 N/A GLY 219.A N GLN 215.A O no hydrogen 2.803 N/A LYS 220.A N GLN 215.A O no hydrogen 3.057 N/A ARG 221.A N GLU 216.A O no hydrogen 2.779 N/A ARG 221.A NE GLU 216.A OE2 no hydrogen 2.733 N/A SER 223.A N VAL 217.A O no hydrogen 3.082 N/A SER 223.A OG HIS 193.A O no hydrogen 3.329 N/A SER 223.A OG THR 195.A OG1 no hydrogen 2.403 N/A ASP 224.A N HIS 193.A O no hydrogen 3.011 N/A ILE 225.A N HIS 193.A O no hydrogen 2.878 N/A ILE 226.A N ASN 32.A O no hydrogen 3.090 N/A ILE 227.A N THR 195.A O no hydrogen 2.798 N/A VAL 228.A N CYS 34.A O no hydrogen 3.049 N/A ARG 230.A NH1 ASP 205.A OD2 no hydrogen 2.995 N/A ARG 230.A NH2 ASP 205.A OD2 no hydrogen 2.902 N/A ILE 232.A N GLY 229.A O no hydrogen 3.094 N/A ILE 233.A N GLY 229.A O no hydrogen 2.804 N/A SER 234.A N ARG 230.A O no hydrogen 3.139 N/A ALA 235.A N ILE 232.A O no hydrogen 3.275 N/A ARG 238.A NE ILE 233.A O no hydrogen 3.030 N/A ARG 238.A NH2 ILE 233.A O no hydrogen 3.473 N/A GLU 240.A N ASP 237.A OD1 no hydrogen 3.409 N/A ALA 241.A N ASP 237.A O no hydrogen 3.113 N/A ALA 242.A N ARG 238.A O no hydrogen 2.999 N/A GLU 243.A N LEU 239.A O no hydrogen 3.040 N/A MET 244.A N GLU 240.A O no hydrogen 3.020 N/A TYR 245.A N ALA 241.A O no hydrogen 2.993 N/A ARG 246.A N ALA 242.A O no hydrogen 2.811 N/A ARG 246.A NE GLU 243.A OE1 no hydrogen 3.259 N/A ARG 246.A NE GLU 243.A OE2 no hydrogen 2.663 N/A ARG 246.A NH1 GLU 30.A O no hydrogen 3.014 N/A ARG 246.A NH2 GLU 243.A OE1 no hydrogen 2.773 N/A LYS 247.A N GLU 243.A O no hydrogen 2.827 N/A ALA 248.A N MET 244.A O no hydrogen 3.005 N/A ALA 249.A N TYR 245.A O no hydrogen 2.890 N/A TRP 250.A N ARG 246.A O no hydrogen 2.806 N/A GLU 251.A N LYS 247.A O no hydrogen 3.078 N/A ALA 252.A N ALA 248.A O no hydrogen 3.330 N/A TYR 253.A N ALA 249.A O no hydrogen 3.183 N/A LEU 254.A N TRP 250.A O no hydrogen 2.891 N/A SER 255.A N GLU 251.A O no hydrogen 2.955 N/A SER 255.A OG GLU 251.A O no hydrogen 3.111 N/A ARG 256.A N ALA 252.A O no hydrogen 3.215 N/A ARG 256.A NE GLU 3.A OE1 no hydrogen 3.253 N/A ARG 256.A NH1 ILE 218.A O no hydrogen 2.741 N/A ARG 256.A NH1 SER 223.A O no hydrogen 2.760 N/A LEU 257.A N TYR 253.A O no hydrogen 3.027 N/A LEU 257.A N LEU 254.A O no hydrogen 3.013 N/A GLY 258.A N LEU 254.A O no hydrogen 3.149 N/A