Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xk6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N ASP 4.A OD2 no hydrogen 2.937 N/A ASP 4.A N ARG 1.A O no hydrogen 2.907 N/A TYR 5.A N ALA 2.A O no hydrogen 3.003 N/A GLU 6.A N ARG 18.A O no hydrogen 2.917 N/A LEU 8.A N LYS 16.A O no hydrogen 2.827 N/A TYR 9.A N LYS 16.A O no hydrogen 3.447 N/A ILE 11.A N CYS 14.A O no hydrogen 2.905 N/A GLN 15.A N TRP 28.A O no hydrogen 2.915 N/A GLN 15.A NE2 THR 10.A OG1 no hydrogen 3.055 N/A LYS 16.A N TYR 9.A O no hydrogen 2.941 N/A LYS 16.A NZ TYR 9.A OH no hydrogen 3.128 N/A LYS 16.A NZ TYR 80.A OH no hydrogen 3.362 N/A ILE 17.A N LEU 26.A O no hydrogen 2.879 N/A ARG 18.A N GLU 6.A O no hydrogen 2.892 N/A ARG 19.A N LYS 24.A O no hydrogen 2.922 N/A ARG 19.A NE ASP 22.A OD1 no hydrogen 3.017 N/A ARG 19.A NH2 ASP 22.A OD2 no hydrogen 2.873 N/A LYS 20.A N ASP 4.A O no hydrogen 3.066 N/A LYS 20.A NZ GLU 3.A O no hydrogen 3.235 N/A GLY 23.A N ARG 19.A O no hydrogen 2.722 N/A LYS 24.A N ASP 22.A OD1 no hydrogen 3.102 N/A LEU 26.A N ILE 17.A O no hydrogen 2.922 N/A VAL 27.A N MET 78.A O no hydrogen 2.936 N/A TRP 28.A N GLN 15.A O no hydrogen 2.939 N/A TRP 28.A NE1 GLN 15.A OE1 no hydrogen 2.904 N/A LYS 29.A N ILE 76.A O no hydrogen 2.956 N/A GLU 30.A N ARG 13.A O no hydrogen 2.768 N/A LEU 31.A N LEU 74.A O no hydrogen 2.811 N/A TYR 33.A N THR 72.A O no hydrogen 2.952 N/A GLY 34.A N ASP 32.A OD1 no hydrogen 2.731 N/A MET 36.A N TYR 33.A O no hydrogen 2.962 N/A GLU 40.A N THR 37.A OG1 no hydrogen 3.143 N/A LYS 41.A N THR 37.A O no hydrogen 3.051 N/A GLN 42.A N GLU 38.A O no hydrogen 3.003 N/A MET 43.A N ALA 39.A O no hydrogen 3.286 N/A LEU 44.A N GLU 40.A O no hydrogen 3.191 N/A VAL 45.A N LYS 41.A O no hydrogen 3.002 N/A SER 46.A N GLN 42.A O no hydrogen 3.105 N/A SER 46.A OG GLN 42.A O no hydrogen 3.414 N/A SER 46.A OG MET 43.A O no hydrogen 2.692 N/A GLU 47.A N MET 43.A O no hydrogen 3.011 N/A VAL 48.A N LEU 44.A O no hydrogen 2.982 N/A ASN 49.A N VAL 45.A O no hydrogen 3.097 N/A LEU 50.A N SER 46.A O no hydrogen 3.138 N/A LEU 51.A N GLU 47.A O no hydrogen 3.052 N/A ARG 52.A N VAL 48.A O no hydrogen 3.239 N/A GLU 53.A N LEU 50.A O no hydrogen 3.196 N/A ASN 58.A N HIS 56.A ND1 no hydrogen 3.104 N/A ASN 58.A ND2 GLN 111.A OE1 no hydrogen 2.793 N/A ASN 58.A ND2 VAL 139.A O no hydrogen 2.908 N/A ILE 59.A N HIS 56.A O no hydrogen 3.108 N/A VAL 60.A N LEU 141.A O no hydrogen 3.016 N/A ARG 61.A N GLU 79.A OE2 no hydrogen 3.027 N/A TYR 63.A N VAL 77.A O no hydrogen 2.856 N/A ASP 64.A N VAL 77.A O no hydrogen 3.323 N/A ARG 65.A N ASP 64.A OD1 no hydrogen 2.712 N/A ILE 66.A N TYR 75.A O no hydrogen 2.756 N/A ASP 68.A N THR 73.A O no hydrogen 2.901 N/A ASN 71.A N ASP 68.A OD2 no hydrogen 3.221 N/A THR 72.A OG1 ASP 32.A OD1 no hydrogen 3.029 N/A THR 72.A OG1 ASN 71.A O no hydrogen 2.577 N/A THR 73.A N ASP 68.A O no hydrogen 2.992 N/A THR 73.A OG1 ASN 71.A O no hydrogen 3.255 N/A LEU 74.A N LEU 31.A O no hydrogen 2.767 N/A TYR 75.A N ILE 66.A O no hydrogen 2.824 N/A ILE 76.A N LYS 29.A O no hydrogen 3.070 N/A VAL 77.A N ASP 64.A O no hydrogen 2.820 N/A MET 78.A N VAL 27.A O no hydrogen 2.757 N/A GLU 79.A N ARG 61.A O no hydrogen 3.041 N/A GLY 83.A N LEU 133.A O no hydrogen 2.777 N/A GLY 84.A N CYS 81.A O no hydrogen 2.986 N/A LEU 86.A N VAL 131.A O no hydrogen 2.738 N/A SER 88.A N ASP 85.A OD2 no hydrogen 3.053 N/A SER 88.A OG ASP 85.A OD1 no hydrogen 2.727 N/A SER 88.A OG ASP 85.A OD2 no hydrogen 3.175 N/A ILE 90.A N LEU 86.A O no hydrogen 3.122 N/A THR 91.A N ALA 87.A O no hydrogen 3.030 N/A THR 91.A OG1 ALA 87.A O no hydrogen 3.131 N/A LYS 92.A N SER 88.A O no hydrogen 2.813 N/A GLY 93.A N VAL 89.A O no hydrogen 2.997 N/A THR 94.A N ILE 90.A O no hydrogen 2.843 N/A THR 94.A OG1 ILE 90.A O no hydrogen 3.123 N/A THR 94.A OG1 LEU 176.A O no hydrogen 3.528 N/A LYS 95.A N THR 91.A O no hydrogen 3.011 N/A GLU 96.A N LYS 92.A O no hydrogen 3.009 N/A GLN 98.A N GLY 93.A O no hydrogen 2.984 N/A GLN 98.A NE2 TYR 99.A O no hydrogen 3.414 N/A PHE 104.A N ASP 101.A O no hydrogen 3.026 N/A VAL 105.A N ASP 101.A O no hydrogen 3.173 N/A LEU 106.A N GLU 102.A O no hydrogen 2.819 N/A ARG 107.A N GLU 103.A O no hydrogen 3.074 N/A VAL 108.A N PHE 104.A O no hydrogen 3.056 N/A MET 109.A N VAL 105.A O no hydrogen 2.917 N/A THR 110.A N LEU 106.A O no hydrogen 2.910 N/A THR 110.A OG1 LEU 106.A O no hydrogen 2.812 N/A GLN 111.A N ARG 107.A O no hydrogen 2.971 N/A GLN 111.A NE2 GLN 137.A O no hydrogen 3.541 N/A GLN 111.A NE2 HIS 239.A O no hydrogen 2.873 N/A LEU 112.A N VAL 108.A O no hydrogen 2.910 N/A THR 113.A N MET 109.A O no hydrogen 3.111 N/A THR 113.A OG1 MET 109.A O no hydrogen 2.578 N/A LEU 114.A N THR 110.A O no hydrogen 3.153 N/A ALA 115.A N GLN 111.A O no hydrogen 3.001 N/A LEU 116.A N LEU 112.A O no hydrogen 2.874 N/A LYS 117.A N THR 113.A O no hydrogen 2.987 N/A GLU 118.A N LEU 114.A O no hydrogen 3.207 N/A CYS 119.A N ALA 115.A O no hydrogen 2.972 N/A CYS 119.A SG ALA 115.A O no hydrogen 3.523 N/A HIS 120.A N LEU 116.A O no hydrogen 2.848 N/A HIS 120.A NE2 ASP 162.A OD2 no hydrogen 2.798 N/A ARG 121.A N LYS 117.A O no hydrogen 3.184 N/A ARG 121.A NE GLU 118.A OE1 no hydrogen 3.096 N/A ARG 121.A NH2 GLU 118.A OE2 no hydrogen 2.830 N/A ARG 122.A N GLU 118.A O no hydrogen 3.107 N/A SER 123.A N HIS 120.A O no hydrogen 3.237 N/A SER 123.A OG CYS 119.A O no hydrogen 3.271 N/A ASN 130.A N LYS 127.A O no hydrogen 2.878 N/A ASN 130.A ND2 ASP 125.A O no hydrogen 2.895 N/A ASN 130.A ND2 GLY 142.A O no hydrogen 2.766 N/A VAL 131.A N PRO 128.A O no hydrogen 3.034 N/A PHE 132.A N LYS 140.A O no hydrogen 2.734 N/A LEU 133.A N GLY 84.A O no hydrogen 2.906 N/A ASP 134.A N ASN 138.A O no hydrogen 3.217 N/A LYS 136.A N ASP 134.A OD1 no hydrogen 2.960 N/A LYS 136.A NZ HIS 243.A O no hydrogen 2.734 N/A ASN 138.A N ASP 134.A OD1 no hydrogen 2.918 N/A ASN 138.A ND2 ASP 134.A OD2 no hydrogen 2.902 N/A ASN 138.A ND2 HIS 242.A O no hydrogen 2.912 N/A VAL 139.A N GLN 111.A OE1 no hydrogen 2.769 N/A LYS 140.A N PHE 132.A O no hydrogen 2.762 N/A LYS 140.A NZ PRO 57.A O no hydrogen 2.871 N/A LYS 140.A NZ GLU 79.A OE1 no hydrogen 2.848 N/A LYS 140.A NZ GLU 79.A OE2 no hydrogen 3.400 N/A LEU 141.A N ASN 58.A O no hydrogen 2.850 N/A GLY 142.A N ASN 130.A O no hydrogen 2.870 N/A TYR 148.A N THR 146.A O no hydrogen 2.948 N/A TYR 149.A OH GLU 172.A OE1 no hydrogen 2.642 N/A MET 150.A N PRO 147.A O no hydrogen 3.076 N/A SER 151.A OG GLU 153.A OE1 no hydrogen 3.555 N/A GLN 154.A N SER 151.A OG no hydrogen 3.281 N/A MET 155.A N SER 151.A O no hydrogen 3.156 N/A MET 155.A N PRO 152.A O no hydrogen 3.207 N/A ASN 156.A N GLU 153.A O no hydrogen 2.934 N/A ASN 158.A ND2 ASP 220.A OD1 no hydrogen 2.868 N/A LYS 160.A N ASN 158.A OD1 no hydrogen 3.412 N/A LYS 160.A NZ ASP 220.A O no hydrogen 3.456 N/A LYS 160.A NZ ARG 223.A O no hydrogen 2.812 N/A SER 161.A N ASN 158.A O no hydrogen 3.067 N/A SER 161.A OG GLU 153.A OE1 no hydrogen 2.885 N/A SER 161.A OG ASN 158.A O no hydrogen 3.373 N/A ILE 163.A N GLU 159.A O no hydrogen 3.344 N/A TRP 164.A N LYS 160.A O no hydrogen 3.212 N/A SER 165.A N SER 161.A O no hydrogen 3.180 N/A SER 165.A OG TYR 149.A O no hydrogen 3.185 N/A SER 165.A OG SER 161.A O no hydrogen 3.417 N/A LEU 166.A N ASP 162.A O no hydrogen 2.968 N/A GLY 167.A N ILE 163.A O no hydrogen 2.860 N/A CYS 168.A N TRP 164.A O no hydrogen 2.879 N/A CYS 168.A SG TRP 164.A O no hydrogen 3.656 N/A LEU 169.A N SER 165.A O no hydrogen 2.972 N/A LEU 170.A N LEU 166.A O no hydrogen 2.857 N/A TYR 171.A N GLY 167.A O no hydrogen 2.863 N/A TYR 171.A OH ARG 198.A O no hydrogen 2.698 N/A GLU 172.A N CYS 168.A O no hydrogen 2.903 N/A LEU 173.A N LEU 169.A O no hydrogen 2.902 N/A CYS 174.A N LEU 170.A O no hydrogen 3.120 N/A CYS 174.A SG LEU 170.A O no hydrogen 3.486 N/A ALA 175.A N TYR 171.A O no hydrogen 2.914 N/A LEU 176.A N GLU 172.A O no hydrogen 2.692 N/A PHE 183.A N GLU 187.A OE1 no hydrogen 2.901 N/A GLU 187.A N SER 184.A OG no hydrogen 3.209 N/A LEU 188.A N SER 184.A O no hydrogen 2.934 N/A ALA 189.A N GLN 185.A O no hydrogen 2.722 N/A GLY 190.A N LYS 186.A O no hydrogen 2.986 N/A LYS 191.A N GLU 187.A O no hydrogen 3.076 N/A LYS 191.A NZ THR 181.A O no hydrogen 2.790 N/A ILE 192.A N LEU 188.A O no hydrogen 2.949 N/A ARG 193.A N ALA 189.A O no hydrogen 3.080 N/A GLU 194.A N LYS 191.A O no hydrogen 3.160 N/A GLY 195.A N LYS 191.A O no hydrogen 3.108 N/A ARG 199.A NH1 ILE 200.A O no hydrogen 2.778 N/A ARG 199.A NH1 TYR 204.A O no hydrogen 3.293 N/A ARG 199.A NH2 TYR 204.A O no hydrogen 2.971 N/A ARG 199.A NH2 ASP 206.A OD1 no hydrogen 2.822 N/A TYR 204.A N PRO 201.A O no hydrogen 3.106 N/A TYR 204.A OH LEU 100.A O no hydrogen 2.592 N/A SER 205.A N GLU 102.A OE1 no hydrogen 3.016 N/A SER 205.A OG GLU 102.A OE2 no hydrogen 2.788 N/A GLU 207.A N GLU 207.A OE1 no hydrogen 2.601 N/A LEU 208.A N SER 205.A OG no hydrogen 3.167 N/A ASN 209.A N SER 205.A O no hydrogen 2.973 N/A GLU 210.A N ASP 206.A O no hydrogen 2.815 N/A ILE 211.A N GLU 207.A O no hydrogen 3.246 N/A ILE 212.A N LEU 208.A O no hydrogen 3.203 N/A THR 213.A N ASN 209.A O no hydrogen 2.934 N/A THR 213.A OG1 ASN 209.A O no hydrogen 2.851 N/A ARG 214.A N GLU 210.A O no hydrogen 2.957 N/A MET 215.A N ILE 211.A O no hydrogen 3.064 N/A LEU 216.A N ILE 212.A O no hydrogen 3.267 N/A LEU 216.A N THR 213.A O no hydrogen 2.990 N/A ASN 217.A N ARG 214.A O no hydrogen 3.110 N/A LYS 219.A N ASN 217.A OD1 no hydrogen 2.837 N/A HIS 222.A N LYS 219.A O no hydrogen 2.912 N/A ARG 223.A N ASP 220.A O no hydrogen 3.303 N/A ARG 223.A NE ASN 217.A O no hydrogen 2.801 N/A ARG 223.A NH1 GLU 153.A OE1 no hydrogen 2.901 N/A ARG 223.A NH1 GLU 153.A OE2 no hydrogen 3.184 N/A ARG 223.A NH1 LYS 160.A O no hydrogen 2.862 N/A ARG 223.A NH2 GLU 153.A OE2 no hydrogen 2.482 N/A ARG 223.A NH2 ASN 217.A O no hydrogen 3.168 N/A SER 225.A N GLU 228.A OE2 no hydrogen 3.074 N/A SER 225.A OG GLU 227.A OE2 no hydrogen 3.512 N/A GLU 227.A N GLU 227.A OE2 no hydrogen 2.830 N/A GLU 228.A N SER 225.A OG no hydrogen 3.121 N/A ILE 229.A N SER 225.A O no hydrogen 2.860 N/A LEU 230.A N VAL 226.A O no hydrogen 3.137 N/A GLU 231.A N GLU 227.A O no hydrogen 3.181 N/A ASN 232.A N ILE 229.A O no hydrogen 3.057 N/A LEU 234.A N ASN 232.A OD1 no hydrogen 2.932 N/A ILE 235.A N ASN 232.A O no hydrogen 2.967 N/A LEU 236.A N HIS 239.A ND1 no hydrogen 2.983 N/A HIS 238.A NE2 GLU 103.A OE2 no hydrogen 2.699 N/A HIS 239.A N LEU 236.A O no hydrogen 3.057 N/A HIS 239.A NE2 GLU 103.A OE1 no hydrogen 3.005 N/A HIS 240.A N GLU 237.A O no hydrogen 3.006 N/A HIS 240.A ND1 LEU 236.A O no hydrogen 2.962 N/A HIS 242.A N ASN 138.A OD1 no hydrogen 2.854 N/A HIS 242.A NE2 GLU 237.A OE1 no hydrogen 3.172 N/A HIS 242.A NE2 GLU 237.A OE2 no hydrogen 2.958 N/A