Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k8d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N VAL 92.A O no hydrogen 2.955 N/A VAL 4.A N ARG 43.A O no hydrogen 2.912 N/A ILE 5.A N VAL 94.A O no hydrogen 3.022 N/A ILE 6.A N ILE 45.A O no hydrogen 2.815 N/A ALA 8.A N ALA 47.A O no hydrogen 2.799 N/A TYR 10.A N ASP 49.A OD1 no hydrogen 3.162 N/A SER 12.A N TYR 10.A O no hydrogen 2.888 N/A SER 12.A OG LEU 15.A O no hydrogen 2.420 N/A ARG 14.A NH1 ASN 139.A OD1 no hydrogen 2.905 N/A LYS 18.A NZ VAL 233.A O no hydrogen 3.175 N/A LEU 20.A N GLY 17.A O no hydrogen 3.075 N/A VAL 21.A N LYS 18.A O no hydrogen 3.194 N/A ILE 23.A N LYS 26.A O no hydrogen 2.743 N/A ASN 24.A ND2 ARG 243.A O no hydrogen 3.578 N/A GLY 25.A N ASP 22.A OD2 no hydrogen 3.293 N/A LYS 26.A N ILE 23.A O no hydrogen 3.267 N/A MET 28.A N VAL 21.A O no hydrogen 2.965 N/A ILE 29.A N PRO 19.A O no hydrogen 2.962 N/A VAL 30.A N PRO 27.A O no hydrogen 2.832 N/A HIS 31.A N PRO 27.A O no hydrogen 3.385 N/A HIS 31.A NE2 ILE 23.A O no hydrogen 2.790 N/A VAL 32.A N MET 28.A O no hydrogen 3.108 N/A LEU 33.A N ILE 29.A O no hydrogen 3.011 N/A GLU 34.A N VAL 30.A O no hydrogen 3.023 N/A ARG 35.A N HIS 31.A O no hydrogen 3.079 N/A ARG 35.A NE GLU 38.A OE1 no hydrogen 2.934 N/A ARG 35.A NH1 PRO 101.A O no hydrogen 3.085 N/A ARG 35.A NH2 GLU 38.A OE1 no hydrogen 3.553 N/A ARG 35.A NH2 GLU 38.A OE2 no hydrogen 2.793 N/A ALA 36.A N VAL 32.A O no hydrogen 3.009 N/A ARG 37.A N LEU 33.A O no hydrogen 2.951 N/A ARG 37.A NH1 GLU 34.A OE2 no hydrogen 2.693 N/A ARG 37.A NH1 ALA 60.A O no hydrogen 3.413 N/A ARG 37.A NH2 ALA 60.A O no hydrogen 2.900 N/A GLU 38.A N GLU 34.A O no hydrogen 2.963 N/A SER 39.A N ARG 35.A O no hydrogen 3.184 N/A SER 39.A N ALA 36.A O no hydrogen 3.144 N/A SER 39.A OG ALA 36.A O no hydrogen 2.615 N/A GLY 40.A N ARG 37.A O no hydrogen 3.173 N/A ALA 41.A N SER 39.A OG no hydrogen 3.308 N/A GLU 42.A N PHE 2.A O no hydrogen 2.944 N/A ARG 43.A NE GLU 63.A OE1 no hydrogen 3.184 N/A ARG 43.A NH2 GLU 63.A OE2 no hydrogen 2.703 N/A ILE 45.A N VAL 4.A O no hydrogen 2.906 N/A VAL 46.A N GLU 63.A O no hydrogen 2.952 N/A ALA 47.A N ILE 6.A O no hydrogen 2.802 N/A THR 48.A N CYS 65.A O no hydrogen 3.141 N/A THR 48.A OG1 ALA 8.A O no hydrogen 2.730 N/A HIS 50.A N THR 48.A OG1 no hydrogen 3.419 N/A ASP 52.A N HIS 50.A ND1 no hydrogen 2.982 N/A ALA 54.A N HIS 50.A O no hydrogen 3.064 N/A ARG 55.A N GLU 51.A O no hydrogen 2.873 N/A ALA 56.A N ASP 52.A O no hydrogen 3.270 N/A VAL 57.A N VAL 53.A O no hydrogen 3.092 N/A GLU 58.A N ALA 54.A O no hydrogen 2.892 N/A ALA 59.A N ARG 55.A O no hydrogen 2.949 N/A ALA 60.A N ALA 56.A O no hydrogen 3.222 N/A ALA 60.A N VAL 57.A O no hydrogen 3.048 N/A GLY 61.A N GLU 58.A O no hydrogen 2.931 N/A GLY 62.A N VAL 57.A O no hydrogen 2.918 N/A CYS 65.A N VAL 46.A O no hydrogen 2.875 N/A CYS 65.A SG MET 66.A O no hydrogen 3.749 N/A THR 67.A N THR 48.A O no hydrogen 2.836 N/A THR 67.A OG1 THR 48.A O no hydrogen 2.968 N/A ARG 68.A N GLU 80.A OE1 no hydrogen 2.861 N/A HIS 71.A NE2 GLU 80.A OE1 no hydrogen 2.694 N/A GLN 72.A N GLU 76.A OE1 no hydrogen 2.938 N/A GLN 72.A NE2 ASP 70.A O no hydrogen 3.176 N/A THR 75.A N GLU 209.A OE2 no hydrogen 2.980 N/A THR 75.A OG1 TYR 186.A OH no hydrogen 2.806 N/A THR 75.A OG1 GLU 209.A OE2 no hydrogen 2.623 N/A GLU 76.A N SER 73.A OG no hydrogen 3.192 N/A ARG 77.A N SER 73.A O no hydrogen 3.040 N/A ARG 77.A NH1 THR 67.A OG1 no hydrogen 2.952 N/A ARG 77.A NH1 ARG 68.A O no hydrogen 2.895 N/A LEU 78.A N GLY 74.A O no hydrogen 2.828 N/A ALA 79.A N THR 75.A O no hydrogen 3.207 N/A ALA 79.A N GLU 76.A O no hydrogen 3.211 N/A VAL 81.A N ARG 77.A O no hydrogen 3.416 N/A VAL 82.A N LEU 78.A O no hydrogen 2.857 N/A GLU 83.A N ALA 79.A O no hydrogen 2.978 N/A LYS 84.A N GLU 80.A O no hydrogen 3.007 N/A CYS 85.A N VAL 81.A O no hydrogen 2.872 N/A CYS 85.A SG VAL 81.A O no hydrogen 3.436 N/A ALA 86.A N GLU 83.A O no hydrogen 3.239 N/A THR 91.A N SER 88.A O no hydrogen 3.134 N/A THR 91.A OG1 SER 88.A O no hydrogen 3.387 N/A ILE 93.A N TYR 186.A O no hydrogen 2.901 N/A VAL 94.A N VAL 3.A O no hydrogen 2.789 N/A ASN 95.A N TYR 184.A O no hydrogen 2.743 N/A ASN 95.A ND2 TYR 186.A OH no hydrogen 3.111 N/A GLN 97.A N GLY 182.A O no hydrogen 3.034 N/A GLU 100.A N GLN 97.A O no hydrogen 3.090 N/A ILE 103.A N GLU 100.A O no hydrogen 3.323 N/A ILE 107.A N PRO 104.A O no hydrogen 3.067 N/A ILE 108.A N PRO 104.A O no hydrogen 3.287 N/A ARG 109.A N ALA 105.A O no hydrogen 3.031 N/A ARG 109.A NE.A SER 39.A O no hydrogen 2.987 N/A GLN 110.A N THR 106.A O no hydrogen 2.918 N/A VAL 111.A N ILE 107.A O no hydrogen 3.060 N/A ALA 112.A N ILE 108.A O no hydrogen 3.271 N/A ASP 113.A N ARG 109.A O no hydrogen 2.925 N/A ASN 114.A N GLN 110.A O no hydrogen 2.863 N/A LEU 115.A N VAL 111.A O no hydrogen 3.047 N/A ALA 116.A N ALA 112.A O no hydrogen 3.062 N/A GLN 117.A N ASP 113.A O no hydrogen 2.949 N/A ARG 118.A N LEU 115.A O no hydrogen 3.219 N/A ALA 123.A N GLY 185.A O no hydrogen 2.955 N/A THR 124.A N HIS 221.A O no hydrogen 2.796 N/A THR 124.A OG1 HIS 180.A NE2 no hydrogen 2.777 N/A THR 124.A OG1 ILE 183.A O no hydrogen 2.571 N/A LEU 125.A N THR 124.A OG1 no hydrogen 2.754 N/A ALA 126.A N ALA 223.A O no hydrogen 2.834 N/A VAL 127.A N ARG 179.A O no hydrogen 2.941 N/A ILE 129.A N PHE 177.A O no hydrogen 2.971 N/A GLU 134.A N ASN 131.A O no hydrogen 3.259 N/A GLU 134.A N ASN 131.A OD1 no hydrogen 3.094 N/A ALA 135.A N ASN 131.A O no hydrogen 3.290 N/A PHE 136.A N ALA 132.A O no hydrogen 3.043 N/A ASN 137.A N GLU 134.A O no hydrogen 3.168 N/A ASN 139.A N ASN 137.A OD1 no hydrogen 2.933 N/A ASN 139.A ND2 ASN 137.A OD1 no hydrogen 3.502 N/A ALA 140.A N ASN 137.A O no hydrogen 2.867 N/A LYS 142.A N SER 155.A O no hydrogen 2.831 N/A LYS 142.A NZ GLU 134.A O no hydrogen 3.431 N/A LYS 142.A NZ ASN 137.A O no hydrogen 2.616 N/A LYS 142.A NZ ALA 140.A O no hydrogen 2.706 N/A VAL 143.A N LEU 178.A O no hydrogen 3.215 N/A VAL 144.A N TYR 153.A O no hydrogen 3.106 N/A ASP 146.A N TYR 150.A O no hydrogen 2.828 N/A GLU 148.A N ASP 146.A OD1 no hydrogen 2.886 N/A GLY 149.A N ASP 146.A O no hydrogen 3.064 N/A TYR 150.A N ASP 146.A OD1 no hydrogen 2.977 N/A ALA 151.A N ILE 220.A O no hydrogen 2.908 N/A LEU 152.A N VAL 144.A O no hydrogen 2.812 N/A TYR 153.A OH GLU 206.A OE2 no hydrogen 2.718 N/A SER 155.A N LYS 142.A O no hydrogen 2.909 N/A SER 155.A OG GLU 206.A OE1 no hydrogen 3.290 N/A SER 155.A OG GLU 206.A OE2 no hydrogen 2.696 N/A ARG 156.A N GLU 206.A OE1 no hydrogen 2.859 N/A ARG 156.A NE GLU 206.A O no hydrogen 2.749 N/A ARG 156.A NH1 PRO 138.A O no hydrogen 2.976 N/A ARG 156.A NH2 MET 207.A O no hydrogen 3.090 N/A ALA 157.A N SER 155.A OG no hydrogen 2.959 N/A THR 158.A OG1 ALA 135.A O no hydrogen 2.697 N/A ARG 163.A NE ASP 164.A OD1 no hydrogen 3.002 N/A ARG 163.A NH2 ASP 164.A OD1 no hydrogen 3.061 N/A ARG 165.A N ASP 162.A OD1 no hydrogen 3.194 N/A ARG 165.A NE ASP 162.A OD2 no hydrogen 3.231 N/A ARG 165.A NH1 THR 172.A OG1 no hydrogen 2.975 N/A PHE 166.A N ASP 162.A O no hydrogen 2.991 N/A ALA 167.A N ARG 163.A O no hydrogen 3.018 N/A GLU 168.A N ARG 165.A O no hydrogen 3.202 N/A GLY 169.A N ARG 165.A O no hydrogen 3.243 N/A ARG 179.A N VAL 127.A O no hydrogen 2.709 N/A HIS 180.A N VAL 141.A O no hydrogen 2.873 N/A HIS 180.A NE2 THR 124.A OG1 no hydrogen 2.777 N/A LEU 181.A N LEU 125.A O no hydrogen 3.026 N/A GLY 182.A N GLU 100.A OE2 no hydrogen 2.916 N/A ILE 183.A N LEU 181.A O no hydrogen 2.856 N/A TYR 184.A N ASN 95.A O no hydrogen 2.919 N/A GLY 185.A N ALA 123.A O no hydrogen 2.859 N/A TYR 186.A N ILE 93.A O no hydrogen 2.954 N/A TYR 186.A OH THR 75.A OG1 no hydrogen 2.806 N/A ARG 187.A NH1 VAL 120.A O no hydrogen 3.286 N/A ARG 187.A NH2 LEU 115.A O no hydrogen 2.982 N/A ARG 187.A NH2 ARG 118.A O no hydrogen 3.296 N/A ALA 188.A N THR 91.A O no hydrogen 2.875 N/A GLY 189.A N ASP 89.A O no hydrogen 2.989 N/A ILE 191.A N ARG 187.A O no hydrogen 3.152 N/A ARG 192.A N ALA 188.A O no hydrogen 3.078 N/A ARG 192.A NH1.B PHE 87.A O no hydrogen 2.915 N/A ARG 192.A NH2.B PHE 87.A O no hydrogen 2.830 N/A ARG 193.A N GLY 189.A O no hydrogen 3.070 N/A ARG 193.A NH2 GLU 218.A OE2 no hydrogen 2.933 N/A TYR 194.A N PHE 190.A O no hydrogen 2.800 N/A TYR 194.A OH GLU 209.A O no hydrogen 2.775 N/A VAL 195.A N ILE 191.A O no hydrogen 3.217 N/A ASN 196.A N ARG 192.A O no hydrogen 3.195 N/A ASN 196.A N ARG 193.A O no hydrogen 3.120 N/A TRP 197.A N ARG 193.A O no hydrogen 3.239 N/A TRP 197.A N TYR 194.A O no hydrogen 3.353 N/A SER 200.A N GLU 203.A OE1 no hydrogen 2.783 N/A SER 200.A OG GLU 203.A OE1 no hydrogen 2.698 N/A GLU 203.A N SER 200.A OG no hydrogen 3.081 N/A HIS 204.A N PRO 201.A O no hydrogen 3.265 N/A ILE 205.A N PRO 201.A O no hydrogen 3.336 N/A ILE 205.A N LEU 202.A O no hydrogen 3.212 N/A GLU 206.A N LEU 202.A O no hydrogen 3.239 N/A LEU 208.A N GLU 203.A O no hydrogen 3.152 N/A GLN 210.A N GLN 210.A OE1 no hydrogen 2.659 N/A LEU 211.A N LEU 208.A O no hydrogen 3.154 N/A ARG 212.A N GLU 209.A O no hydrogen 3.252 N/A ARG 212.A NE GLU 203.A OE1 no hydrogen 3.052 N/A ARG 212.A NE GLU 203.A OE2 no hydrogen 3.284 N/A ARG 212.A NH1 TYR 194.A O no hydrogen 3.051 N/A ARG 212.A NH2 GLU 76.A OE2 no hydrogen 2.845 N/A ARG 212.A NH2 GLU 203.A OE2 no hydrogen 2.797 N/A VAL 213.A N GLN 210.A O no hydrogen 3.160 N/A TRP 215.A N LEU 211.A O no hydrogen 2.888 N/A TYR 216.A N ARG 212.A O no hydrogen 3.143 N/A TYR 216.A OH GLN 198.A O no hydrogen 2.574 N/A GLY 217.A N LEU 214.A O no hydrogen 2.988 N/A GLU 218.A N VAL 213.A O no hydrogen 3.110 N/A HIS 221.A N MET 122.A O no hydrogen 3.027 N/A VAL 222.A N GLY 149.A O no hydrogen 2.933 N/A ALA 223.A N THR 124.A O no hydrogen 2.980 N/A ALA 225.A N ALA 126.A O no hydrogen 2.982 N/A THR 231.A OG1 GLY 232.A O no hydrogen 3.339 N/A VAL 233.A N ASP 99.A O no hydrogen 2.842 N/A ASP 234.A N ASP 238.A OD2 no hydrogen 2.943 N/A THR 235.A N ASP 238.A OD2 no hydrogen 3.104 N/A ASP 238.A N THR 235.A OG1 no hydrogen 3.053 N/A LEU 239.A N THR 235.A O no hydrogen 3.066 N/A GLU 240.A N PRO 236.A O no hydrogen 3.173 N/A ARG 241.A N GLU 237.A O no hydrogen 3.188 N/A ARG 241.A NE GLU 245.A OE2 no hydrogen 2.716 N/A ARG 241.A NH2 GLU 245.A OE2 no hydrogen 3.537 N/A VAL 242.A N ASP 238.A O no hydrogen 2.882 N/A ARG 243.A N LEU 239.A O no hydrogen 2.845 N/A ARG 243.A NE ASP 22.A O no hydrogen 2.831 N/A ARG 243.A NH1 GLU 240.A OE2 no hydrogen 3.036 N/A ARG 243.A NH2 ASP 22.A O no hydrogen 2.791 N/A ALA 244.A N GLU 240.A O no hydrogen 3.108 N/A GLU 245.A N ARG 241.A O no hydrogen 2.986 N/A MET 246.A N VAL 242.A O no hydrogen 2.992 N/A