Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pvd_E.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.E N ALA 24.E O no hydrogen 2.852 N/A GLN 6.E NE2 TYR 89.E O no hydrogen 2.958 N/A GLN 6.E NE2 SER 110.E OG no hydrogen 2.937 N/A THR 7.E N GLN 22.E O no hydrogen 3.135 N/A GLN 11.E N ARG 111.E O no hydrogen 2.883 N/A GLN 11.E NE2 VAL 12.E O no hydrogen 2.948 N/A LEU 13.E N THR 113.E O no hydrogen 2.845 N/A LYS 14.E N GLN 17.E OE1 no hydrogen 3.067 N/A THR 15.E N LEU 115.E O no hydrogen 2.790 N/A THR 15.E OG1 LEU 115.E O no hydrogen 3.247 N/A GLY 16.E N ALA 81.E O no hydrogen 2.805 N/A GLN 17.E N LYS 14.E O no hydrogen 3.032 N/A SER 18.E OG GLU 79.E O no hydrogen 2.824 N/A MET 19.E N LEU 78.E O no hydrogen 3.041 N/A LEU 21.E N LEU 76.E O no hydrogen 2.682 N/A GLN 22.E N THR 7.E O no hydrogen 2.995 N/A ALA 24.E N THR 5.E O no hydrogen 2.817 N/A GLN 25.E N ARG 72.E O no hydrogen 3.043 N/A GLN 25.E NE2 HIS 29.E O no hydrogen 3.157 N/A GLN 25.E NE2 LYS 71.E O no hydrogen 2.935 N/A MET 27.E N GLN 25.E OE1 no hydrogen 2.908 N/A HIS 29.E N GLN 25.E OE1 no hydrogen 3.202 N/A HIS 29.E ND1 SER 93.E OG no hydrogen 2.933 N/A ASN 30.E N VAL 95.E O no hydrogen 3.037 N/A ASN 30.E ND2 VAL 95.E O no hydrogen 3.035 N/A SER 31.E N SER 94.E O no hydrogen 3.149 N/A SER 31.E OG ALA 50.E O no hydrogen 2.880 N/A SER 31.E OG THR 97.E OG1 no hydrogen 2.936 N/A MET 32.E N SER 49.E O no hydrogen 3.025 N/A TYR 33.E N ALA 92.E O no hydrogen 2.722 N/A TYR 33.E OH SER 94.E OG no hydrogen 2.981 N/A TYR 33.E OH THR 97.E OG1 no hydrogen 2.320 N/A TRP 34.E N TYR 47.E O no hydrogen 3.083 N/A TRP 34.E NE1 PHE 74.E O no hydrogen 2.826 N/A TYR 35.E N PHE 90.E O no hydrogen 2.657 N/A ARG 36.E N ARG 44.E O no hydrogen 3.174 N/A ARG 36.E NE ASP 38.E OD2 no hydrogen 2.776 N/A ARG 36.E NH1 SER 84.E O no hydrogen 3.316 N/A ARG 36.E NH2 ASP 38.E OD1 no hydrogen 2.911 N/A ARG 36.E NH2 SER 84.E O no hydrogen 2.996 N/A GLN 37.E N VAL 88.E O no hydrogen 2.781 N/A ARG 44.E N ARG 36.E O no hydrogen 3.272 N/A ARG 44.E NH2 ASP 38.E OD2 no hydrogen 2.800 N/A ILE 46.E N TRP 34.E O no hydrogen 2.881 N/A TYR 47.E OH TYR 64.E O no hydrogen 3.279 N/A TYR 48.E N ASP 56.E O no hydrogen 3.128 N/A SER 49.E N MET 32.E O no hydrogen 2.845 N/A SER 49.E OG SER 51.E O no hydrogen 3.004 N/A SER 49.E OG THR 54.E O no hydrogen 2.612 N/A THR 54.E N SER 51.E O no hydrogen 3.323 N/A ASP 56.E N TYR 48.E O no hydrogen 2.968 N/A GLY 58.E N ILE 46.E O no hydrogen 2.792 N/A GLU 59.E N LEU 45.E O no hydrogen 2.600 N/A VAL 60.E N LEU 45.E O no hydrogen 3.043 N/A TYR 64.E N PRO 61.E O no hydrogen 3.059 N/A TYR 64.E OH TYR 89.E OH no hydrogen 2.769 N/A ASN 65.E N ARG 77.E O no hydrogen 3.082 N/A SER 67.E N SER 75.E O no hydrogen 3.128 N/A ARG 68.E NE ASN 70.E O no hydrogen 2.891 N/A ARG 68.E NH1 ASN 30.E O no hydrogen 3.021 N/A ARG 68.E NH1 LYS 71.E O no hydrogen 2.928 N/A ARG 68.E NH2 ASN 30.E O no hydrogen 2.880 N/A ARG 68.E NH2 SER 49.E OG no hydrogen 2.851 N/A ASN 70.E ND2 GLU 73.E OE2 no hydrogen 3.475 N/A LYS 71.E NZ ASN 28.E OD1 no hydrogen 2.979 N/A ARG 72.E N ASN 70.E OD1 no hydrogen 2.728 N/A ARG 72.E NE ASP 26.E OD1.A no hydrogen 2.370 N/A ARG 72.E NH2 ASP 26.E OD2.A no hydrogen 2.528 N/A GLU 73.E N ASN 70.E OD1 no hydrogen 2.898 N/A PHE 74.E N CYS 23.E O no hydrogen 3.149 N/A SER 75.E N SER 67.E O no hydrogen 2.896 N/A SER 75.E OG GLN 22.E OE1 no hydrogen 3.082 N/A LEU 76.E N LEU 21.E O no hydrogen 3.003 N/A ARG 77.E N ASN 65.E O no hydrogen 2.722 N/A ARG 77.E NH1 ASN 65.E OD1.A no hydrogen 2.290 N/A ARG 77.E NH2 SER 67.E OG no hydrogen 3.295 N/A LEU 78.E N MET 19.E O no hydrogen 2.601 N/A ALA 81.E N GLN 17.E O no hydrogen 2.812 N/A ALA 82.E N GLN 85.E OE1 no hydrogen 2.758 N/A GLN 85.E N ALA 82.E O no hydrogen 2.941 N/A GLN 85.E NE2 GLY 63.E O no hydrogen 3.084 N/A THR 86.E N PRO 83.E O no hydrogen 3.172 N/A THR 86.E OG1 PRO 83.E O no hydrogen 3.198 N/A SER 87.E N LEU 112.E O no hydrogen 3.034 N/A SER 87.E OG GLN 37.E O no hydrogen 2.980 N/A SER 87.E OG ASP 38.E OD1 no hydrogen 2.840 N/A SER 87.E OG VAL 88.E O no hydrogen 3.467 N/A VAL 88.E N GLN 37.E O no hydrogen 3.458 N/A TYR 89.E N SER 110.E O no hydrogen 2.867 N/A TYR 89.E OH TYR 64.E OH no hydrogen 2.769 N/A TYR 89.E OH GLN 85.E O no hydrogen 2.553 N/A PHE 90.E N TYR 35.E O no hydrogen 2.832 N/A CYS 91.E N.A GLN 6.E OE1 no hydrogen 2.990 N/A CYS 91.E N.B GLN 6.E OE1 no hydrogen 3.006 N/A CYS 91.E SG.A TYR 33.E O no hydrogen 3.462 N/A CYS 91.E SG.A ALA 92.E O no hydrogen 4.034 N/A CYS 91.E SG.B GLN 6.E OE1 no hydrogen 3.684 N/A ALA 92.E N TYR 33.E O no hydrogen 2.966 N/A SER 93.E N PHE 105.E O no hydrogen 2.984 N/A SER 93.E OG HIS 29.E ND1 no hydrogen 2.933 N/A SER 94.E N SER 31.E O no hydrogen 3.032 N/A SER 94.E OG TYR 33.E OH no hydrogen 2.981 N/A THR 97.E OG1 SER 31.E OG no hydrogen 2.936 N/A THR 97.E OG1 TYR 33.E OH no hydrogen 2.320 N/A GLU 103.E N GLU 103.E OE1 no hydrogen 2.780 N/A PHE 105.E N SER 93.E O no hydrogen 2.900 N/A GLY 107.E N CYS 91.E O.A no hydrogen 2.801 N/A GLY 107.E N CYS 91.E O.B no hydrogen 2.803 N/A SER 110.E N TYR 89.E O no hydrogen 2.795 N/A SER 110.E OG PRO 8.E O no hydrogen 2.605 N/A ARG 111.E N LYS 9.E O no hydrogen 2.780 N/A LEU 112.E N SER 87.E O no hydrogen 3.006 N/A THR 113.E N GLN 11.E O no hydrogen 3.042 N/A THR 113.E OG1 HIS 155.E NE2 no hydrogen 2.811 N/A VAL 114.E N THR 86.E OG1 no hydrogen 2.748 N/A LEU 115.E N LEU 13.E O no hydrogen 2.715 N/A ASN 120.E ND2.A ASP 186.E O no hydrogen 3.175 N/A VAL 121.E N LEU 118.E O no hydrogen 3.309 N/A PHE 122.E N TYR 152.E O no hydrogen 2.925 N/A GLU 125.E N THR 149.E O no hydrogen 3.055 N/A ALA 127.E N LEU 147.E O no hydrogen 2.983 N/A PHE 129.E N VAL 145.E O no hydrogen 2.819 N/A ALA 134.E N SER 132.E OG no hydrogen 3.179 N/A ILE 136.E N SER 132.E O no hydrogen 3.239 N/A SER 137.E N GLU 133.E O no hydrogen 3.046 N/A SER 137.E OG GLU 133.E O no hydrogen 3.081 N/A HIS 138.E N ALA 134.E O no hydrogen 2.843 N/A HIS 138.E N GLU 135.E O no hydrogen 3.235 N/A THR 139.E N GLU 135.E O no hydrogen 2.794 N/A THR 139.E OG1 GLU 135.E O no hydrogen 2.796 N/A GLN 140.E N ILE 136.E O no hydrogen 3.044 N/A LYS 141.E N THR 139.E OG1 no hydrogen 3.200 N/A LYS 141.E NZ THR 139.E O no hydrogen 3.166 N/A ALA 142.E N VAL 197.E O no hydrogen 2.616 N/A THR 143.E N GLU 135.E OE1 no hydrogen 3.268 N/A THR 143.E OG1 GLU 135.E OE1 no hydrogen 3.419 N/A THR 143.E OG1 GLU 135.E OE2 no hydrogen 2.601 N/A LEU 144.E N LEU 195.E O no hydrogen 2.839 N/A VAL 145.E N PHE 129.E O no hydrogen 3.249 N/A CYS 146.E N SER 193.E O no hydrogen 2.860 N/A LEU 147.E N ALA 127.E O no hydrogen 2.905 N/A ALA 148.E N LEU 191.E O no hydrogen 2.867 N/A THR 149.E N GLU 125.E O no hydrogen 2.990 N/A GLY 150.E N GLU 180.E OE2 no hydrogen 3.071 N/A PHE 151.E N TYR 189.E O no hydrogen 3.259 N/A TYR 152.E N PHE 122.E O no hydrogen 2.918 N/A HIS 155.E N PRO 153.E O no hydrogen 2.883 N/A HIS 155.E NE2 THR 113.E OG1 no hydrogen 2.811 N/A GLU 157.E N GLN 214.E O no hydrogen 2.962 N/A SER 159.E N GLN 212.E O no hydrogen 2.876 N/A TRP 160.E NE1 SER 193.E OG no hydrogen 2.921 N/A TRP 161.E N ARG 210.E O no hydrogen 2.752 N/A TRP 161.E NE1 SER 159.E OG no hydrogen 3.007 N/A VAL 162.E N LYS 165.E O no hydrogen 2.812 N/A ASN 163.E N HIS 208.E O no hydrogen 2.899 N/A ASN 163.E ND2 ASN 207.E OD1 no hydrogen 3.141 N/A LYS 165.E N VAL 162.E O no hydrogen 2.925 N/A VAL 167.E N TRP 160.E O no hydrogen 3.148 N/A VAL 171.E N HIS 168.E O no hydrogen 3.284 N/A CYS 172.E N ARG 194.E O no hydrogen 3.149 N/A THR 173.E OG1 SER 193.E OG no hydrogen 2.706 N/A ASP 174.E N SER 192.E O no hydrogen 3.005 N/A LEU 178.E N ALA 190.E O no hydrogen 3.104 N/A GLU 180.E N ARG 188.E O no hydrogen 2.832 N/A GLN 181.E N SER 187.E OG no hydrogen 2.693 N/A LEU 184.E N GLN 181.E O no hydrogen 2.858 N/A SER 187.E OG GLN 181.E OE1 no hydrogen 3.484 N/A SER 187.E OG ARG 188.E O no hydrogen 2.973 N/A ARG 188.E N GLN 181.E OE1 no hydrogen 3.007 N/A ARG 188.E NE ASN 120.E OD1.A no hydrogen 3.509 N/A ARG 188.E NH1 ASN 120.E OD1.A no hydrogen 3.527 N/A TYR 189.E N PHE 151.E O no hydrogen 2.814 N/A ALA 190.E N LEU 178.E O no hydrogen 3.058 N/A LEU 191.E N ALA 148.E O no hydrogen 2.702 N/A SER 192.E N ASP 174.E OD2 no hydrogen 3.104 N/A SER 192.E OG ASP 174.E OD2 no hydrogen 2.416 N/A SER 193.E N CYS 146.E O no hydrogen 3.084 N/A SER 193.E OG CYS 172.E O no hydrogen 3.336 N/A SER 193.E OG THR 173.E OG1 no hydrogen 2.706 N/A ARG 194.E N CYS 172.E O no hydrogen 3.063 N/A ARG 194.E NH1 ASP 174.E OD1 no hydrogen 3.177 N/A ARG 194.E NH2 ASP 174.E OD1 no hydrogen 2.899 N/A LEU 195.E N LEU 144.E O no hydrogen 2.792 N/A ARG 196.E N GLY 170.E O no hydrogen 2.888 N/A ARG 196.E NE GLU 135.E OE2 no hydrogen 3.022 N/A ARG 196.E NH2 GLU 135.E OE2 no hydrogen 2.924 N/A VAL 197.E N ALA 142.E O no hydrogen 2.659 N/A ALA 199.E N GLN 140.E O no hydrogen 3.015 N/A PHE 201.E N SER 198.E OG no hydrogen 3.142 N/A TRP 202.E N SER 198.E O no hydrogen 3.137 N/A GLN 203.E N ALA 199.E O no hydrogen 3.011 N/A ARG 206.E N ASN 204.E OD1 no hydrogen 3.023 N/A ASN 207.E N ASN 204.E O no hydrogen 3.279 N/A ASN 207.E ND2 PHE 201.E O no hydrogen 2.728 N/A HIS 208.E N ASN 163.E OD1 no hydrogen 3.011 N/A PHE 209.E N ALA 240.E O no hydrogen 2.867 N/A ARG 210.E N TRP 161.E O no hydrogen 2.856 N/A ARG 210.E NH1 GLN 212.E OE1 no hydrogen 3.129 N/A ARG 210.E NH1 SER 237.E OG no hydrogen 2.856 N/A ARG 210.E NH2 GLN 212.E OE1 no hydrogen 3.360 N/A CYS 211.E N ALA 238.E O no hydrogen 3.039 N/A CYS 211.E SG.B ALA 238.E O no hydrogen 4.033 N/A GLN 212.E N SER 159.E O no hydrogen 2.761 N/A VAL 213.E N VAL 236.E O no hydrogen 3.006 N/A GLN 214.E N GLU 157.E O no hydrogen 2.921 N/A GLN 214.E NE2 PHE 215.E O no hydrogen 3.403 N/A PHE 215.E N GLN 234.E O no hydrogen 2.742 N/A TYR 216.E N HIS 155.E O no hydrogen 2.943 N/A TYR 216.E OH GLU 157.E OE2 no hydrogen 2.817 N/A GLY 217.E N THR 233.E OG1 no hydrogen 2.947 N/A LEU 218.E N PRO 231.E O no hydrogen 3.054 N/A SER 219.E N ASP 222.E OD2 no hydrogen 2.915 N/A ASN 221.E N SER 219.E OG no hydrogen 3.052 N/A ASP 222.E N SER 219.E O no hydrogen 3.342 N/A TRP 224.E NE1 ARG 228.E O no hydrogen 2.907 N/A ARG 228.E NH1 VAL 121.E O no hydrogen 2.978 N/A ARG 228.E NH2 LYS 119.E O no hydrogen 2.512 N/A ARG 228.E NH2 VAL 121.E O no hydrogen 3.121 N/A LYS 230.E NZ SER 219.E O no hydrogen 2.830 N/A LYS 230.E NZ GLU 220.E OE1 no hydrogen 3.321 N/A LYS 230.E NZ ASP 222.E O no hydrogen 2.578 N/A VAL 232.E N LYS 230.E O no hydrogen 2.812 N/A THR 233.E N LEU 218.E O no hydrogen 3.359 N/A GLN 234.E N PHE 215.E O no hydrogen 2.985 N/A GLN 234.E NE2 VAL 232.E O no hydrogen 2.837 N/A VAL 236.E N VAL 213.E O no hydrogen 2.985 N/A ALA 238.E N CYS 211.E O no hydrogen 3.253 N/A ALA 240.E N PHE 209.E O no hydrogen 2.816 N/A GLY 242.E N ASN 207.E O no hydrogen 2.977 N/A