Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vk9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N VAL 58.A O no hydrogen 2.958 N/A LEU 5.A N ASN 29.A O no hydrogen 2.927 N/A TYR 6.A N THR 56.A O no hydrogen 2.785 N/A TYR 7.A N LYS 31.A O no hydrogen 3.206 N/A SER 11.A N VAL 8.A O no hydrogen 3.454 N/A CYS 14.A N SER 11.A OG no hydrogen 3.171 N/A CYS 14.A SG SER 11.A OG no hydrogen 3.249 N/A ARG 15.A N SER 11.A O no hydrogen 2.908 N/A ARG 15.A NE GLY 10.A O no hydrogen 3.259 N/A ARG 15.A NH1 ALA 163.A O no hydrogen 3.068 N/A ARG 15.A NH1 ASN 199.A OD1 no hydrogen 2.854 N/A ARG 15.A NH2 GLY 10.A O no hydrogen 2.853 N/A ARG 15.A NH2 SER 167.A OG no hydrogen 2.966 N/A ALA 16.A N ALA 12.A O no hydrogen 2.934 N/A VAL 17.A N PRO 13.A O no hydrogen 3.427 N/A LEU 18.A N CYS 14.A O no hydrogen 2.979 N/A LEU 19.A N ARG 15.A O no hydrogen 2.888 N/A THR 20.A N ALA 16.A O no hydrogen 3.062 N/A THR 20.A OG1 ALA 16.A O no hydrogen 3.037 N/A ALA 21.A N VAL 17.A O no hydrogen 2.881 N/A LYS 22.A N LEU 18.A O no hydrogen 3.013 N/A LYS 22.A NZ.A GLY 194.A O no hydrogen 3.427 N/A LYS 22.A NZ.A GLU 197.A OE1 no hydrogen 3.101 N/A LYS 22.A NZ.B GLU 197.A OE1 no hydrogen 2.740 N/A ALA 23.A N LEU 19.A O no hydrogen 2.882 N/A LEU 24.A N THR 20.A O no hydrogen 3.008 N/A ASN 25.A N LYS 22.A O no hydrogen 2.991 N/A LEU 26.A N ALA 21.A O no hydrogen 2.912 N/A ASN 29.A N ILE 3.A O no hydrogen 2.823 N/A ASN 29.A ND2 ASP 4.A OD2 no hydrogen 2.904 N/A LYS 31.A N LEU 5.A O no hydrogen 2.781 N/A LYS 31.A NZ TYR 6.A OH no hydrogen 2.825 N/A VAL 33.A N TYR 7.A O no hydrogen 2.869 N/A ASP 34.A N GLU 39.A OE1 no hydrogen 2.637 N/A LEU 35.A N VAL 33.A O no hydrogen 2.895 N/A HIS 37.A N ASP 34.A O no hydrogen 3.275 N/A HIS 37.A ND1 ASP 34.A OD1 no hydrogen 3.151 N/A HIS 37.A ND1 ASP 34.A OD2 no hydrogen 3.002 N/A GLY 38.A N LEU 35.A O no hydrogen 2.844 N/A GLU 39.A N ASP 34.A O no hydrogen 2.990 N/A GLN 40.A N GLN 40.A OE1 no hydrogen 2.640 N/A GLN 40.A NE2 LEU 35.A O no hydrogen 3.682 N/A LEU 41.A N GLY 38.A O no hydrogen 2.982 N/A LYS 42.A N GLU 39.A O no hydrogen 3.248 N/A TYR 45.A N LYS 42.A O no hydrogen 3.022 N/A TYR 45.A OH THR 53.A O no hydrogen 2.623 N/A LEU 46.A N LYS 42.A O no hydrogen 3.027 N/A LYS 47.A N PRO 43.A O no hydrogen 2.808 N/A ASN 49.A N TYR 45.A O no hydrogen 2.776 N/A ASN 49.A ND2 THR 53.A O no hydrogen 3.112 N/A ASN 49.A ND2 THR 53.A OG1 no hydrogen 3.085 N/A ASN 49.A ND2 THR 56.A OG1 no hydrogen 2.978 N/A GLN 51.A N ASN 49.A OD1 no hydrogen 2.781 N/A HIS 52.A N ASN 49.A O no hydrogen 2.856 N/A THR 56.A N TYR 6.A O no hydrogen 2.856 N/A THR 56.A OG1 TYR 45.A OH no hydrogen 2.716 N/A THR 56.A OG1 THR 53.A O no hydrogen 3.102 N/A LEU 57.A N ILE 64.A O no hydrogen 2.879 N/A VAL 58.A N ASP 4.A O no hydrogen 2.752 N/A ASP 59.A N LEU 62.A O no hydrogen 2.730 N/A LEU 62.A N ASP 59.A O no hydrogen 3.037 N/A SER 63.A OG LEU 48.A O no hydrogen 2.507 N/A ILE 64.A N LEU 57.A O no hydrogen 3.027 N/A TRP 65.A NE1 GLN 51.A OE1 no hydrogen 2.920 N/A ARG 68.A NE ASP 102.A OD2 no hydrogen 2.806 N/A ARG 68.A NH2 ASP 102.A OD2 no hydrogen 2.798 N/A ALA 69.A N GLU 66.A O no hydrogen 2.890 N/A ILE 70.A N GLU 66.A O no hydrogen 2.943 N/A ILE 71.A N SER 67.A O no hydrogen 2.958 N/A THR 72.A OG1 ARG 68.A O no hydrogen 3.500 N/A THR 72.A OG1 ALA 69.A O no hydrogen 3.291 N/A TYR 73.A N ALA 69.A O no hydrogen 2.944 N/A TYR 73.A OH ASP 59.A OD2 no hydrogen 2.442 N/A LEU 74.A N ILE 70.A O no hydrogen 2.878 N/A VAL 75.A N ILE 71.A O no hydrogen 3.466 N/A ASN 76.A N THR 72.A O no hydrogen 2.904 N/A LYS 77.A N TYR 73.A O no hydrogen 2.849 N/A LYS 77.A NZ ASP 59.A OD1 no hydrogen 3.401 N/A LYS 77.A NZ ASP 59.A OD2 no hydrogen 2.675 N/A LYS 77.A NZ TYR 78.A OH no hydrogen 3.147 N/A TYR 78.A N LEU 74.A O no hydrogen 2.982 N/A ALA 79.A N VAL 75.A O no hydrogen 2.836 N/A LYS 80.A NZ.A GLU 87.A OE1 no hydrogen 3.149 N/A LYS 80.A NZ.A GLU 87.A OE2 no hydrogen 3.032 N/A LYS 80.A NZ.B GLU 87.A OE2 no hydrogen 3.510 N/A SER 82.A N ALA 79.A O no hydrogen 2.875 N/A LEU 84.A N SER 82.A OG no hydrogen 3.002 N/A TYR 85.A N SER 82.A O no hydrogen 2.971 N/A TYR 85.A OH ASP 96.A OD1 no hydrogen 2.648 N/A TYR 85.A OH ASP 96.A OD2 no hydrogen 3.423 N/A ALA 91.A N ASP 88.A OD2 no hydrogen 2.828 N/A ARG 92.A N ASP 88.A O no hydrogen 2.659 N/A ARG 92.A NE PRO 86.A O no hydrogen 2.796 N/A ARG 92.A NH1 ASN 76.A OD1 no hydrogen 3.482 N/A ARG 92.A NH2 TYR 85.A O no hydrogen 2.737 N/A ALA 93.A N PRO 89.A O no hydrogen 2.765 N/A LEU 94.A N LYS 90.A O no hydrogen 3.195 N/A VAL 95.A N ALA 91.A O no hydrogen 3.437 N/A ASP 96.A N ARG 92.A O no hydrogen 2.863 N/A GLN 97.A N ALA 93.A O no hydrogen 2.765 N/A ARG 98.A N LEU 94.A O no hydrogen 3.045 N/A ARG 98.A NE VAL 149.A O no hydrogen 2.871 N/A LEU 99.A N VAL 95.A O no hydrogen 2.938 N/A TYR 100.A N ASP 96.A O no hydrogen 2.971 N/A PHE 101.A N GLN 97.A O no hydrogen 2.908 N/A ASP 102.A N ARG 98.A O no hydrogen 2.898 N/A ILE 103.A N LEU 99.A O no hydrogen 3.080 N/A GLY 104.A N TYR 100.A O no hydrogen 2.918 N/A THR 105.A N PHE 101.A O no hydrogen 2.950 N/A LEU 106.A N PHE 101.A O no hydrogen 2.957 N/A TYR 107.A N ASP 102.A O no hydrogen 2.805 N/A TYR 107.A OH TYR 115.A OH no hydrogen 2.591 N/A GLN 108.A NE2 GLN 108.A O no hydrogen 3.377 N/A GLN 108.A NE2 ASP 112.A OD1 no hydrogen 2.953 N/A GLN 108.A NE2 ASP 112.A OD2 no hydrogen 3.543 N/A ARG 109.A N THR 105.A O no hydrogen 2.898 N/A ARG 109.A NH1 LYS 131.A O no hydrogen 3.049 N/A PHE 110.A N LEU 106.A O no hydrogen 3.003 N/A SER 111.A N TYR 107.A O no hydrogen 2.760 N/A ASP 112.A N GLN 108.A O no hydrogen 2.862 N/A TYR 113.A N ARG 109.A O no hydrogen 2.979 N/A TYR 113.A OH ASP 172.A OD1 no hydrogen 2.678 N/A PHE 114.A N PHE 110.A O no hydrogen 2.823 N/A TYR 115.A N SER 111.A O no hydrogen 3.072 N/A TYR 115.A OH TYR 107.A OH no hydrogen 2.591 N/A GLN 117.A NE2 TYR 113.A O no hydrogen 2.858 N/A VAL 118.A N PHE 114.A O no hydrogen 3.125 N/A PHE 119.A N TYR 115.A O no hydrogen 2.862 N/A ALA 120.A N PRO 116.A O no hydrogen 3.004 N/A ALA 122.A N PRO 116.A O no hydrogen 2.988 N/A LYS 126.A NZ GLU 130.A OE1 no hydrogen 2.853 N/A LYS 128.A N ASP 125.A OD1 no hydrogen 2.741 N/A ASN 129.A N ASP 125.A O no hydrogen 2.854 N/A ASN 129.A ND2 TYR 113.A OH no hydrogen 3.140 N/A GLU 130.A N LYS 126.A O no hydrogen 2.873 N/A LYS 131.A N ALA 127.A O no hydrogen 3.042 N/A LYS 131.A NZ GLU 134.A OE1 no hydrogen 3.363 N/A VAL 132.A N LYS 128.A O no hydrogen 3.217 N/A GLN 133.A N ASN 129.A O no hydrogen 2.978 N/A GLN 133.A NE2 ASN 129.A OD1 no hydrogen 2.957 N/A GLU 134.A N GLU 130.A O no hydrogen 2.883 N/A ALA 135.A N LYS 131.A O no hydrogen 3.079 N/A LEU 136.A N VAL 132.A O no hydrogen 2.991 N/A GLN 137.A N GLN 133.A O no hydrogen 2.828 N/A GLN 137.A NE2 TYR 178.A OH no hydrogen 3.355 N/A LEU 138.A N GLU 134.A O no hydrogen 3.045 N/A LEU 139.A N ALA 135.A O no hydrogen 2.985 N/A ASP 140.A N LEU 136.A O no hydrogen 2.809 N/A LYS 141.A N GLN 137.A O no hydrogen 2.958 N/A LYS 141.A NZ.B GLU 144.A OE2.B no hydrogen 2.711 N/A PHE 142.A N LEU 138.A O no hydrogen 2.917 N/A LEU 143.A N LEU 139.A O no hydrogen 3.059 N/A LEU 143.A N ASP 140.A O no hydrogen 3.336 N/A GLU 144.A N LYS 141.A O no hydrogen 2.895 N/A GLN 146.A N LEU 143.A O no hydrogen 2.965 N/A LYS 147.A NZ TYR 148.A OH no hydrogen 3.549 N/A TYR 148.A OH THR 191.A OG1 no hydrogen 2.959 N/A VAL 149.A N ASP 158.A OD1 no hydrogen 2.893 N/A THR 155.A N ASP 158.A OD2 no hydrogen 2.849 N/A THR 155.A OG1 ASP 158.A OD2 no hydrogen 3.526 N/A VAL 156.A N LEU 84.A O no hydrogen 2.970 N/A ALA 157.A N THR 155.A OG1 no hydrogen 3.241 N/A LEU 159.A N THR 155.A O no hydrogen 3.299 N/A SER 160.A N VAL 156.A O no hydrogen 3.007 N/A SER 160.A OG ASP 102.A OD2 no hydrogen 2.578 N/A LEU 161.A N ALA 157.A O no hydrogen 2.960 N/A ILE 162.A N ASP 158.A O no hydrogen 2.742 N/A ALA 163.A N LEU 159.A O no hydrogen 3.159 N/A SER 164.A N SER 160.A O no hydrogen 3.169 N/A SER 164.A OG ASP 102.A OD1 no hydrogen 2.789 N/A SER 164.A OG ASP 102.A OD2 no hydrogen 3.520 N/A SER 164.A OG SER 160.A O no hydrogen 3.391 N/A VAL 165.A N LEU 161.A O no hydrogen 2.770 N/A SER 166.A N ILE 162.A O no hydrogen 2.817 N/A SER 166.A OG ILE 162.A O no hydrogen 2.905 N/A SER 166.A OG ALA 163.A O no hydrogen 3.200 N/A SER 167.A OG ALA 163.A O no hydrogen 2.754 N/A SER 167.A OG SER 164.A O no hydrogen 3.309 N/A LEU 168.A N VAL 165.A O no hydrogen 2.997 N/A GLU 169.A N SER 166.A O no hydrogen 2.878 N/A ALA 170.A N SER 167.A O no hydrogen 3.095 N/A SER 171.A N LEU 168.A O no hydrogen 2.963 N/A SER 171.A OG LEU 168.A O no hydrogen 2.695 N/A ILE 173.A N SER 171.A OG no hydrogen 3.179 N/A TYR 178.A N PHE 175.A O no hydrogen 3.136 N/A TYR 178.A OH GLN 133.A OE1 no hydrogen 2.613 N/A ASN 180.A ND2 ASP 140.A O no hydrogen 2.964 N/A ASN 180.A ND2 GLU 144.A OE1.A no hydrogen 2.855 N/A VAL 181.A N ASP 140.A OD1 no hydrogen 3.143 N/A LYS 182.A N TYR 178.A O no hydrogen 2.796 N/A ARG 183.A N ALA 179.A O no hydrogen 2.979 N/A ARG 183.A NH1 GLN 146.A O no hydrogen 2.650 N/A ARG 183.A NH2 LEU 143.A O no hydrogen 2.730 N/A ARG 183.A NH2 GLN 146.A O no hydrogen 3.203 N/A ARG 183.A NH2 ASN 180.A OD1 no hydrogen 3.447 N/A TRP 184.A N ASN 180.A O no hydrogen 2.931 N/A TRP 184.A NE1 ASP 158.A OD1 no hydrogen 2.811 N/A TYR 185.A N VAL 181.A O no hydrogen 2.776 N/A TYR 185.A OH GLU 169.A OE2 no hydrogen 2.502 N/A GLU 186.A N LYS 182.A O no hydrogen 3.167 N/A THR 187.A N ARG 183.A O no hydrogen 2.984 N/A THR 187.A OG1 ARG 183.A O no hydrogen 3.075 N/A VAL 188.A N TRP 184.A O no hydrogen 2.868 N/A LYS 189.A N TYR 185.A O no hydrogen 3.025 N/A SER 190.A N GLU 186.A O no hydrogen 3.162 N/A SER 190.A N THR 187.A O no hydrogen 3.237 N/A SER 190.A OG.A GLU 186.A O no hydrogen 3.186 N/A SER 190.A OG.A THR 187.A O no hydrogen 3.226 N/A SER 190.A OG.B GLU 186.A O no hydrogen 2.872 N/A THR 191.A N VAL 188.A O no hydrogen 3.050 N/A THR 191.A OG1 TYR 148.A OH no hydrogen 2.959 N/A THR 191.A OG1 THR 187.A O no hydrogen 2.587 N/A ALA 192.A N VAL 188.A O no hydrogen 2.820 N/A TYR 195.A N ALA 192.A O no hydrogen 3.297 N/A ALA 198.A N GLY 194.A O no hydrogen 2.761 N/A ASN 199.A N TYR 195.A O no hydrogen 2.763 N/A ASN 199.A ND2 SER 166.A OG no hydrogen 3.073 N/A GLU 200.A N TYR 195.A O no hydrogen 3.098 N/A LYS 201.A N GLN 196.A O no hydrogen 2.884 N/A LEU 203.A N ASN 199.A O no hydrogen 2.801 N/A GLU 204.A N GLU 200.A O no hydrogen 2.961 N/A ALA 205.A N LYS 201.A O no hydrogen 3.200 N/A PHE 206.A N GLY 202.A O no hydrogen 2.939 N/A LYS 207.A N LEU 203.A O no hydrogen 2.930 N/A LYS 207.A NZ GLU 169.A OE1 no hydrogen 2.713 N/A GLY 208.A N GLU 204.A O no hydrogen 2.983 N/A LEU 209.A N ALA 205.A O no hydrogen 2.880 N/A VAL 210.A N PHE 206.A O no hydrogen 2.842 N/A ASN 211.A N LYS 207.A O no hydrogen 2.860 N/A SER 212.A N GLY 208.A O no hydrogen 3.053 N/A MET 213.A N LEU 209.A O no hydrogen 2.980 N/A LEU 214.A N VAL 210.A O no hydrogen 2.865 N/A