Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3b1v_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N ASP 48.A O no hydrogen 3.409 N/A GLU 3.A N ASP 80.A OD2 no hydrogen 2.799 N/A ILE 4.A N GLU 50.A O no hydrogen 2.903 N/A ALA 5.A N SER 81.A O no hydrogen 2.897 N/A LEU 6.A N GLN 52.A O no hydrogen 2.902 N/A ILE 7.A N LEU 83.A O no hydrogen 3.038 N/A ASN 9.A ND2 ILE 57.A O no hydrogen 3.093 N/A SER 12.A OG ASN 9.A O no hydrogen 2.757 N/A LYS 14.A NZ GLY 8.A O no hydrogen 3.423 N/A LYS 14.A NZ ASN 9.A O no hydrogen 2.932 N/A THR 15.A OG1 THR 35.A OG1 no hydrogen 2.769 N/A THR 15.A OG1 ASP 53.A OD1 no hydrogen 3.358 N/A THR 15.A OG1 ASP 53.A OD2 no hydrogen 2.513 N/A LEU 17.A N GLY 13.A O no hydrogen 3.012 N/A PHE 18.A N LYS 14.A O no hydrogen 2.925 N/A ASN 19.A N THR 15.A O no hydrogen 2.819 N/A ASN 19.A ND2 GLN 26.A O no hydrogen 3.013 N/A LEU 20.A N SER 16.A O no hydrogen 3.279 N/A ILE 21.A N LEU 17.A O no hydrogen 2.853 N/A THR 22.A N PHE 18.A O no hydrogen 2.914 N/A THR 22.A OG1 PHE 18.A O no hydrogen 2.724 N/A GLY 23.A N ASN 19.A O no hydrogen 2.847 N/A HIS 24.A N THR 22.A OG1 no hydrogen 3.211 N/A GLN 26.A N ASN 19.A OD1 no hydrogen 2.888 N/A GLN 26.A NE2 HIS 24.A ND1 no hydrogen 3.350 N/A THR 35.A OG1 THR 15.A OG1 no hydrogen 2.769 N/A ARG 38.A NH1 GLN 52.A OE1 no hydrogen 2.652 N/A LYS 39.A N ASP 53.A O no hydrogen 3.036 N/A GLY 41.A N ILE 51.A O no hydrogen 3.042 N/A VAL 43.A N LEU 49.A O no hydrogen 3.002 N/A LYS 44.A N ILE 21.A O no hydrogen 3.042 N/A ASN 46.A N VAL 43.A O no hydrogen 3.280 N/A ASP 48.A N ASN 46.A OD1 no hydrogen 3.162 N/A LEU 49.A N ASN 46.A O no hydrogen 3.169 N/A GLU 50.A N THR 2.A O no hydrogen 2.864 N/A ILE 51.A N GLY 41.A O no hydrogen 2.812 N/A GLN 52.A N ILE 4.A O no hydrogen 2.802 N/A GLN 52.A NE2 GLU 3.A OE1 no hydrogen 2.857 N/A ASP 53.A N LYS 39.A O no hydrogen 2.847 N/A ILE 57.A N GLY 8.A O no hydrogen 3.032 N/A SER 59.A OG.A GLN 100.A OE1 no hydrogen 3.411 N/A SER 59.A OG.B SER 61.A O no hydrogen 3.050 N/A MET 60.A N GLN 100.A OE1 no hydrogen 3.168 N/A SER 61.A N SER 59.A OG.A no hydrogen 3.129 N/A SER 61.A OG ASP 207.A OD1 no hydrogen 2.590 N/A ALA 67.A N SER 64.A OG no hydrogen 3.230 N/A LYS 68.A N SER 64.A O no hydrogen 3.108 N/A LYS 68.A NZ ASP 72.A OD1 no hydrogen 3.456 N/A LYS 68.A NZ ASP 72.A OD2 no hydrogen 2.611 N/A VAL 69.A N PRO 65.A O no hydrogen 3.316 N/A VAL 69.A N GLU 66.A O no hydrogen 3.058 N/A ARG 71.A N ALA 67.A O no hydrogen 3.206 N/A ARG 71.A NE MET 60.A O no hydrogen 2.916 N/A ARG 71.A NH1 ASP 72.A OD1 no hydrogen 3.100 N/A ARG 71.A NH1 GLU 213.A OE1 no hydrogen 3.425 N/A ARG 71.A NH1 GLU 213.A OE2 no hydrogen 2.696 N/A ARG 71.A NH2 GLU 213.A OE1 no hydrogen 2.822 N/A ASP 72.A N LYS 68.A O no hydrogen 2.878 N/A TYR 73.A N VAL 69.A O no hydrogen 3.047 N/A LEU 74.A N ALA 70.A O no hydrogen 3.200 N/A LEU 75.A N ARG 71.A O no hydrogen 2.998 N/A SER 76.A N ASP 72.A O no hydrogen 2.948 N/A SER 76.A OG TYR 73.A O no hydrogen 2.683 N/A GLN 77.A N LEU 74.A O no hydrogen 3.268 N/A GLN 77.A NE2 SER 195.A OG.A no hydrogen 3.203 N/A GLN 77.A NE2 SER 195.A OG.B no hydrogen 3.235 N/A ASP 80.A N GLU 3.A O no hydrogen 2.805 N/A SER 81.A N GLU 3.A O no hydrogen 3.175 N/A SER 81.A OG ALA 156.A O no hydrogen 3.511 N/A ILE 82.A N PRO 107.A O no hydrogen 2.971 N/A LEU 83.A N ALA 5.A O no hydrogen 2.723 N/A ASN 84.A N THR 109.A O no hydrogen 2.802 N/A ASN 84.A ND2 ILE 7.A O no hydrogen 2.954 N/A VAL 85.A N ILE 7.A O no hydrogen 2.892 N/A VAL 86.A N ALA 111.A O no hydrogen 2.929 N/A ASP 87.A N ASN 94.A OD1 no hydrogen 2.898 N/A ALA 88.A N ASN 113.A O no hydrogen 2.976 N/A THR 89.A N ASP 87.A OD1 no hydrogen 2.917 N/A THR 89.A OG1 ASP 87.A OD1 no hydrogen 2.715 N/A THR 89.A OG1 ASP 87.A OD2 no hydrogen 3.312 N/A ASN 90.A N.A ASP 87.A O no hydrogen 3.016 N/A ASN 90.A N.B ASP 87.A O no hydrogen 2.995 N/A ASN 90.A ND2.A ASP 87.A OD2 no hydrogen 2.812 N/A ASN 94.A N ASN 90.A O.A no hydrogen 3.157 N/A ASN 94.A N ASN 90.A O.B no hydrogen 3.156 N/A ASN 94.A ND2 ASN 90.A O.A no hydrogen 2.918 N/A ASN 94.A ND2 ASN 90.A O.B no hydrogen 2.902 N/A LEU 95.A N LEU 91.A O no hydrogen 2.993 N/A THR 98.A OG1 ASN 84.A OD1 no hydrogen 2.747 N/A THR 98.A OG1 ASN 94.A O no hydrogen 3.377 N/A THR 99.A N LEU 95.A O no hydrogen 3.032 N/A THR 99.A OG1 TYR 96.A O no hydrogen 2.776 N/A GLN 100.A NE2 TYR 96.A O no hydrogen 3.447 N/A LEU 101.A N LEU 97.A O no hydrogen 2.996 N/A ILE 102.A N THR 98.A O no hydrogen 3.012 N/A GLU 103.A N THR 99.A O no hydrogen 3.360 N/A THR 104.A N LEU 101.A O no hydrogen 3.119 N/A THR 104.A OG1 LEU 101.A O no hydrogen 2.665 N/A GLY 105.A N ILE 102.A O no hydrogen 3.120 N/A ILE 106.A N THR 104.A OG1 no hydrogen 3.275 N/A THR 109.A N ILE 82.A O no hydrogen 2.917 N/A ILE 110.A N PRO 137.A O no hydrogen 2.843 N/A ALA 111.A N ASN 84.A O no hydrogen 2.933 N/A LEU 112.A N VAL 139.A O no hydrogen 2.758 N/A ASN 113.A N VAL 86.A O no hydrogen 2.856 N/A ASN 113.A ND2 SER 12.A O no hydrogen 2.888 N/A ILE 115.A N THR 141.A O no hydrogen 3.257 N/A VAL 117.A N MET 114.A O no hydrogen 3.090 N/A LEU 118.A N MET 114.A O no hydrogen 3.366 N/A ASP 119.A N ILE 115.A O no hydrogen 2.883 N/A GLY 120.A N ASP 116.A O no hydrogen 3.080 N/A GLN 121.A N VAL 117.A O no hydrogen 2.911 N/A GLY 122.A N ASP 119.A O no hydrogen 3.257 N/A LYS 123.A N LEU 118.A O no hydrogen 3.197 N/A LYS 123.A NZ GLN 121.A OE1 no hydrogen 3.032 N/A ASN 126.A N ALA 258.A O no hydrogen 2.999 N/A ASN 126.A ND2 SER 260.A O no hydrogen 3.648 N/A LYS 129.A N ASN 126.A OD1 no hydrogen 3.053 N/A LYS 129.A NZ SER 260.A OG no hydrogen 3.176 N/A LYS 129.A NZ THR 262.A O no hydrogen 2.801 N/A LEU 130.A N ASN 126.A O no hydrogen 2.932 N/A SER 131.A N VAL 127.A O no hydrogen 2.940 N/A SER 131.A OG VAL 136.A O no hydrogen 2.680 N/A TYR 132.A N ASP 128.A O no hydrogen 2.945 N/A HIS 133.A N LYS 129.A O no hydrogen 3.001 N/A HIS 133.A ND1 LYS 129.A O no hydrogen 3.184 N/A LEU 134.A N.A LEU 130.A O no hydrogen 2.967 N/A LEU 134.A N.B LEU 130.A O no hydrogen 2.962 N/A GLY 135.A N SER 131.A O no hydrogen 2.872 N/A VAL 139.A N ILE 110.A O no hydrogen 2.933 N/A THR 141.A N LEU 112.A O no hydrogen 2.849 N/A THR 141.A OG1 ASN 113.A OD1 no hydrogen 2.886 N/A SER 142.A N THR 147.A O no hydrogen 2.978 N/A SER 142.A OG ASP 116.A OD1 no hydrogen 2.707 N/A LYS 145.A N SER 142.A OG no hydrogen 2.991 N/A THR 147.A N SER 142.A O no hydrogen 3.033 N/A GLN 151.A N GLN 151.A OE1 no hydrogen 2.720 N/A VAL 152.A N GLY 148.A O no hydrogen 3.052 N/A VAL 153.A N VAL 149.A O no hydrogen 3.219 N/A LYS 154.A N ASP 150.A O no hydrogen 3.121 N/A LYS 155.A N GLN 151.A O no hydrogen 2.968 N/A ALA 156.A N VAL 152.A O no hydrogen 2.849 N/A ALA 157.A N VAL 153.A O no hydrogen 2.841 N/A HIS 158.A N LYS 154.A O no hydrogen 3.018 N/A THR 159.A N ALA 156.A O no hydrogen 3.171 N/A THR 159.A OG1 LYS 155.A O no hydrogen 2.632 N/A THR 160.A N THR 163.A OG1 no hydrogen 3.233 N/A THR 160.A OG1 SER 162.A OG no hydrogen 2.913 N/A THR 160.A OG1 THR 163.A OG1 no hydrogen 3.178 N/A THR 161.A N ASP 80.A O no hydrogen 3.155 N/A SER 162.A OG THR 160.A OG1 no hydrogen 2.913 N/A THR 163.A N THR 160.A O no hydrogen 3.253 N/A THR 163.A N THR 160.A OG1 no hydrogen 3.080 N/A THR 163.A OG1 HIS 158.A O no hydrogen 2.670 N/A THR 163.A OG1 THR 160.A O no hydrogen 3.548 N/A THR 163.A OG1 THR 160.A OG1 no hydrogen 3.178 N/A VAL 164.A N THR 160.A O no hydrogen 2.904 N/A TYR 172.A N GLU 177.A OE2 no hydrogen 2.892 N/A TYR 172.A OH GLU 103.A OE2 no hydrogen 2.772 N/A ASP 173.A N GLU 246.A OE1 no hydrogen 2.937 N/A ARG 175.A N ASP 173.A OD1 no hydrogen 2.838 N/A ARG 175.A NE ASP 173.A OD1 no hydrogen 3.031 N/A ARG 175.A NH2 ASP 173.A OD2 no hydrogen 2.906 N/A LEU 176.A N ASP 173.A O no hydrogen 2.812 N/A GLU 177.A N ASP 173.A O no hydrogen 3.041 N/A ALA 178.A N ASP 174.A O.A no hydrogen 2.956 N/A ALA 178.A N ASP 174.A O.B no hydrogen 2.976 N/A ILE 180.A N LEU 176.A O no hydrogen 2.872 N/A SER 181.A N.A GLU 177.A O no hydrogen 2.961 N/A SER 181.A N.B GLU 177.A O no hydrogen 2.944 N/A SER 181.A OG.A GLU 177.A O no hydrogen 3.071 N/A GLN 182.A N ALA 178.A O no hydrogen 3.081 N/A GLN 182.A NE2 ALA 178.A O no hydrogen 3.368 N/A ILE 183.A N ALA 179.A O no hydrogen 2.908 N/A LEU 184.A N ILE 180.A O no hydrogen 2.911 N/A GLU 185.A N SER 181.A O.A no hydrogen 3.052 N/A GLU 185.A N SER 181.A O.B no hydrogen 3.106 N/A VAL 186.A N GLN 182.A O no hydrogen 3.118 N/A LEU 187.A N ILE 183.A O no hydrogen 2.919 N/A GLY 188.A N LEU 184.A O no hydrogen 3.198 N/A SER 190.A N LEU 187.A O no hydrogen 2.902 N/A SER 190.A OG LEU 187.A O no hydrogen 3.088 N/A ARG 194.A NE GLN 77.A OE1 no hydrogen 3.155 N/A ARG 194.A NH1 THR 161.A OG1 no hydrogen 3.147 N/A ARG 194.A NH2 GLN 77.A OE1 no hydrogen 2.608 N/A SER 195.A N.B PRO 192.A O no hydrogen 3.281 N/A SER 195.A OG.A THR 104.A O no hydrogen 2.617 N/A SER 195.A OG.B PRO 192.A O no hydrogen 3.486 N/A ALA 196.A N GLN 193.A O no hydrogen 3.343 N/A ARG 197.A NH1 GLU 177.A OE1 no hydrogen 2.897 N/A ARG 197.A NH2 GLU 177.A OE1 no hydrogen 3.331 N/A ARG 197.A NH2 GLU 177.A OE2 no hydrogen 2.800 N/A PHE 198.A N GLU 103.A O no hydrogen 3.288 N/A TYR 199.A N SER 195.A O.A no hydrogen 3.304 N/A TYR 199.A N SER 195.A O.B no hydrogen 3.312 N/A ALA 200.A N ALA 196.A O no hydrogen 2.897 N/A ILE 201.A N ARG 197.A O no hydrogen 3.072 N/A LYS 202.A N PHE 198.A O no hydrogen 3.103 N/A LYS 202.A NZ SER 61.A OG no hydrogen 2.976 N/A LYS 202.A NZ GLN 100.A OE1 no hydrogen 2.785 N/A LYS 202.A NZ GLU 205.A OE1 no hydrogen 3.407 N/A LEU 203.A N TYR 199.A O no hydrogen 2.883 N/A PHE 204.A N ALA 200.A O no hydrogen 2.981 N/A GLU 205.A N ILE 201.A O no hydrogen 2.962 N/A GLN 206.A N LEU 203.A O no hydrogen 2.869 N/A GLN 206.A NE2 PHE 204.A O no hydrogen 3.120 N/A ASP 207.A N LYS 202.A O no hydrogen 2.940 N/A VAL 210.A N ASP 207.A OD2 no hydrogen 3.075 N/A GLU 211.A N ASP 207.A O no hydrogen 3.077 N/A ALA 212.A N SER 208.A O.A no hydrogen 2.973 N/A ALA 212.A N SER 208.A O.B no hydrogen 3.230 N/A GLU 213.A N LEU 209.A O.A no hydrogen 2.913 N/A GLU 213.A N LEU 209.A O.B no hydrogen 3.008 N/A LEU 214.A N VAL 210.A O no hydrogen 3.025 N/A SER 217.A N GLN 220.A OE1 no hydrogen 2.998 N/A SER 217.A OG GLN 220.A OE1 no hydrogen 3.432 N/A GLN 220.A N SER 217.A OG no hydrogen 2.950 N/A GLN 220.A NE2 VAL 186.A O no hydrogen 3.021 N/A GLN 220.A NE2 SER 190.A OG no hydrogen 2.989 N/A ARG 221.A N.A SER 217.A O no hydrogen 2.923 N/A ARG 221.A N.B SER 217.A O no hydrogen 2.921 N/A ARG 221.A NE.A LEU 216.A O no hydrogen 3.153 N/A ARG 221.A NH2.A LEU 216.A O no hydrogen 3.403 N/A LYS 222.A N GLN 218.A O no hydrogen 2.924 N/A GLU 223.A N.A PHE 219.A O no hydrogen 3.138 N/A GLU 223.A N.B PHE 219.A O no hydrogen 3.127 N/A ILE 224.A N GLN 220.A O no hydrogen 2.927 N/A GLU 225.A N ARG 221.A O.A no hydrogen 2.908 N/A GLU 225.A N ARG 221.A O.B no hydrogen 2.989 N/A ASP 226.A N.A LYS 222.A O no hydrogen 3.021 N/A ASP 226.A N.B LYS 222.A O no hydrogen 3.004 N/A ILE 227.A N GLU 223.A O.A no hydrogen 2.914 N/A ILE 227.A N GLU 223.A O.B no hydrogen 2.933 N/A ILE 228.A N ILE 224.A O no hydrogen 2.931 N/A ARG 229.A N GLU 225.A O no hydrogen 3.039 N/A ARG 229.A NH1 ASP 226.A OD1.A no hydrogen 3.233 N/A ARG 229.A NH2 ASP 226.A OD1.A no hydrogen 2.732 N/A ILE 230.A N ASP 226.A O.A no hydrogen 3.062 N/A ILE 230.A N ASP 226.A O.B no hydrogen 3.063 N/A THR 231.A N ILE 227.A O no hydrogen 3.068 N/A THR 231.A OG1 ILE 227.A O no hydrogen 2.654 N/A GLU 232.A N ILE 228.A O no hydrogen 2.907 N/A GLU 233.A N ARG 229.A O no hydrogen 3.232 N/A ILE 234.A N ILE 230.A O no hydrogen 3.112 N/A PHE 235.A N THR 231.A O no hydrogen 2.907 N/A THR 236.A N GLU 233.A O no hydrogen 3.404 N/A THR 236.A OG1 PHE 235.A O no hydrogen 2.623 N/A GLU 237.A N.A GLU 232.A O no hydrogen 3.300 N/A GLU 237.A N.B GLU 232.A O no hydrogen 3.297 N/A ASP 238.A N.A GLU 237.A OE2.A no hydrogen 3.113 N/A ALA 239.A N GLU 232.A OE2 no hydrogen 2.742 N/A GLU 240.A N GLU 240.A OE1 no hydrogen 2.797 N/A SER 241.A N ASP 238.A OD2.A no hydrogen 3.192 N/A SER 241.A OG ASP 238.A OD1.A no hydrogen 2.652 N/A SER 241.A OG ASP 238.A OD2.A no hydrogen 3.145 N/A ILE 242.A N ASP 238.A O.A no hydrogen 3.019 N/A ILE 242.A N ASP 238.A O.B no hydrogen 2.935 N/A VAL 243.A N ALA 239.A O no hydrogen 3.249 N/A ILE 244.A N GLU 240.A O no hydrogen 3.214 N/A ASN 245.A N SER 241.A O no hydrogen 2.923 N/A ASN 245.A ND2 GLU 237.A OE2.B no hydrogen 2.330 N/A GLU 246.A N ILE 242.A O no hydrogen 2.946 N/A ARG 247.A N VAL 243.A O no hydrogen 2.928 N/A ARG 247.A NH1 THR 99.A OG1 no hydrogen 3.246 N/A ARG 247.A NH1 GLU 103.A OE1 no hydrogen 2.996 N/A ARG 247.A NH1 GLU 103.A OE2 no hydrogen 3.060 N/A ARG 247.A NH2 GLU 103.A OE1 no hydrogen 3.464 N/A ARG 247.A NH2 GLU 205.A OE1 no hydrogen 3.408 N/A TYR 248.A N.A ILE 244.A O no hydrogen 2.948 N/A TYR 248.A N.B ILE 244.A O no hydrogen 3.001 N/A ALA 249.A N ASN 245.A O no hydrogen 2.869 N/A PHE 250.A N GLU 246.A O no hydrogen 3.015 N/A ILE 251.A N ARG 247.A O no hydrogen 2.923 N/A GLU 252.A N TYR 248.A O.A no hydrogen 2.831 N/A GLU 252.A N TYR 248.A O.B no hydrogen 3.068 N/A ARG 253.A N ALA 249.A O no hydrogen 3.169 N/A VAL 254.A N PHE 250.A O no hydrogen 3.013 N/A CYS 255.A N ILE 251.A O no hydrogen 2.799 N/A CYS 255.A SG ILE 251.A O no hydrogen 3.423 N/A GLN 256.A N GLU 252.A O no hydrogen 3.051 N/A MET 257.A N ARG 253.A O no hydrogen 3.185 N/A ALA 258.A N VAL 254.A O no hydrogen 2.839 N/A GLU 259.A N CYS 255.A O no hydrogen 2.867 N/A SER 260.A N MET 257.A O no hydrogen 3.175 N/A SER 260.A OG THR 262.A OG1 no hydrogen 3.196 N/A THR 262.A OG1 SER 260.A OG no hydrogen 3.196 N/A