Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pvc_F.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.F N ALA 24.F O no hydrogen 2.991 N/A GLN 6.F NE2 TYR 89.F O no hydrogen 2.984 N/A GLN 6.F NE2 SER 110.F OG no hydrogen 2.862 N/A THR 7.F N GLN 22.F O no hydrogen 2.950 N/A GLN 11.F N ARG 111.F O no hydrogen 2.969 N/A GLN 11.F NE2.A PHE 10.F O no hydrogen 3.255 N/A GLN 11.F NE2.C VAL 12.F O no hydrogen 3.239 N/A LEU 13.F N THR 113.F O no hydrogen 2.803 N/A LYS 14.F N GLN 17.F OE1 no hydrogen 2.775 N/A THR 15.F N LEU 115.F O no hydrogen 2.805 N/A THR 15.F OG1 LEU 115.F O no hydrogen 3.306 N/A THR 15.F OG1 GLU 116.F OE2 no hydrogen 2.767 N/A GLY 16.F N ALA 81.F O no hydrogen 2.768 N/A GLN 17.F N LYS 14.F O no hydrogen 3.070 N/A MET 19.F N LEU 78.F O no hydrogen 3.101 N/A LEU 21.F N LEU 76.F O no hydrogen 2.657 N/A GLN 22.F N THR 7.F O no hydrogen 3.045 N/A CYS 23.F SG THR 5.F O no hydrogen 4.009 N/A ALA 24.F N THR 5.F O no hydrogen 2.866 N/A GLN 25.F N ARG 72.F O no hydrogen 3.187 N/A GLN 25.F NE2 LYS 71.F O no hydrogen 3.338 N/A MET 27.F N GLN 25.F OE1 no hydrogen 2.641 N/A HIS 29.F ND1 SER 93.F OG.A no hydrogen 2.971 N/A ASN 30.F N VAL 95.F O no hydrogen 2.695 N/A ASN 30.F ND2 VAL 95.F O no hydrogen 3.194 N/A SER 31.F N SER 94.F O no hydrogen 3.063 N/A SER 31.F OG ALA 50.F O no hydrogen 3.047 N/A SER 31.F OG THR 97.F OG1 no hydrogen 2.153 N/A MET 32.F N SER 49.F O.A no hydrogen 3.118 N/A MET 32.F N SER 49.F O.B no hydrogen 3.103 N/A TYR 33.F N ALA 92.F O no hydrogen 2.957 N/A TYR 33.F OH SER 94.F OG no hydrogen 2.870 N/A TRP 34.F N TYR 47.F O no hydrogen 3.302 N/A TRP 34.F NE1 PHE 74.F O no hydrogen 2.711 N/A TYR 35.F N PHE 90.F O no hydrogen 2.770 N/A ARG 36.F N ARG 44.F O no hydrogen 2.894 N/A ARG 36.F NE ASP 38.F OD2 no hydrogen 2.832 N/A ARG 36.F NH1 SER 84.F O no hydrogen 3.099 N/A ARG 36.F NH2 ASP 38.F OD1 no hydrogen 2.860 N/A ARG 36.F NH2 ASP 38.F OD2 no hydrogen 3.408 N/A ARG 36.F NH2 SER 84.F O no hydrogen 2.940 N/A GLN 37.F N VAL 88.F O no hydrogen 2.809 N/A MET 41.F N ASP 38.F O no hydrogen 3.415 N/A ARG 44.F N ARG 36.F O no hydrogen 3.062 N/A ARG 44.F NH2 ASP 38.F OD2 no hydrogen 3.019 N/A ILE 46.F N TRP 34.F O no hydrogen 2.812 N/A TYR 48.F N ASP 56.F O no hydrogen 2.975 N/A SER 49.F N.A MET 32.F O no hydrogen 2.975 N/A SER 49.F N.B MET 32.F O no hydrogen 2.979 N/A SER 49.F OG.A MET 32.F O no hydrogen 3.354 N/A SER 49.F OG.B SER 51.F O no hydrogen 2.992 N/A SER 49.F OG.B THR 54.F O no hydrogen 2.639 N/A SER 51.F OG GLU 52.F O no hydrogen 3.421 N/A THR 54.F N SER 51.F O no hydrogen 3.425 N/A ASP 56.F N TYR 48.F O no hydrogen 2.857 N/A GLY 58.F N ILE 46.F O no hydrogen 2.949 N/A VAL 60.F N LEU 45.F O no hydrogen 3.110 N/A TYR 64.F N PRO 61.F O no hydrogen 3.163 N/A TYR 64.F OH TYR 89.F OH no hydrogen 2.646 N/A ASN 65.F N ARG 77.F O no hydrogen 3.180 N/A SER 67.F N SER 75.F O no hydrogen 3.287 N/A SER 67.F OG.A SER 75.F OG.A no hydrogen 2.052 N/A ARG 68.F NE ASN 70.F O no hydrogen 3.042 N/A ARG 68.F NH1 ASN 30.F O no hydrogen 3.032 N/A ARG 68.F NH1 SER 49.F OG.A no hydrogen 3.073 N/A ARG 68.F NH1 SER 49.F OG.B no hydrogen 2.817 N/A ARG 68.F NH2 ASN 30.F O no hydrogen 3.513 N/A ARG 68.F NH2 LYS 71.F O no hydrogen 2.543 N/A LEU 69.F N GLU 73.F O no hydrogen 3.013 N/A ASN 70.F ND2 GLU 73.F OE1 no hydrogen 3.056 N/A LYS 71.F NZ ASN 28.F O no hydrogen 3.332 N/A LYS 71.F NZ HIS 29.F O no hydrogen 3.011 N/A LYS 71.F NZ ASN 30.F OD1 no hydrogen 2.835 N/A ARG 72.F N ASN 70.F OD1 no hydrogen 2.692 N/A GLU 73.F N ASN 70.F OD1 no hydrogen 2.678 N/A PHE 74.F N CYS 23.F O no hydrogen 3.317 N/A SER 75.F N SER 67.F O no hydrogen 3.198 N/A SER 75.F OG.A SER 67.F O no hydrogen 3.099 N/A SER 75.F OG.B GLN 22.F OE1 no hydrogen 3.208 N/A LEU 76.F N LEU 21.F O no hydrogen 3.058 N/A ARG 77.F N ASN 65.F O no hydrogen 2.901 N/A ARG 77.F NH1 ASN 65.F OD1.A no hydrogen 2.262 N/A ARG 77.F NH1 SER 67.F OG.B no hydrogen 3.396 N/A ARG 77.F NH2 SER 67.F OG.A no hydrogen 3.384 N/A ARG 77.F NH2 SER 67.F OG.B no hydrogen 3.038 N/A LEU 78.F N MET 19.F O no hydrogen 2.659 N/A ALA 81.F N GLN 17.F O no hydrogen 2.800 N/A ALA 82.F N GLN 85.F OE1 no hydrogen 2.984 N/A GLN 85.F N ALA 82.F O no hydrogen 2.879 N/A GLN 85.F NE2 GLY 63.F O no hydrogen 3.194 N/A THR 86.F N PRO 83.F O no hydrogen 2.994 N/A THR 86.F OG1 PRO 83.F O no hydrogen 3.069 N/A SER 87.F N LEU 112.F O no hydrogen 2.982 N/A SER 87.F OG GLN 37.F O no hydrogen 3.120 N/A SER 87.F OG ASP 38.F OD1 no hydrogen 2.682 N/A SER 87.F OG ASP 38.F OD2 no hydrogen 3.421 N/A VAL 88.F N GLN 37.F O no hydrogen 3.457 N/A TYR 89.F N SER 110.F O no hydrogen 2.843 N/A TYR 89.F OH TYR 64.F OH no hydrogen 2.646 N/A TYR 89.F OH GLN 85.F O no hydrogen 2.457 N/A PHE 90.F N TYR 35.F O no hydrogen 2.909 N/A CYS 91.F N GLN 6.F OE1 no hydrogen 3.038 N/A CYS 91.F SG.A GLN 6.F OE1 no hydrogen 3.592 N/A CYS 91.F SG.B TYR 33.F O no hydrogen 3.657 N/A ALA 92.F N TYR 33.F O no hydrogen 2.931 N/A SER 93.F N PHE 105.F O no hydrogen 3.013 N/A SER 93.F OG.A HIS 29.F ND1 no hydrogen 2.971 N/A SER 93.F OG.B HIS 29.F ND1 no hydrogen 3.408 N/A SER 93.F OG.B SER 31.F O no hydrogen 2.818 N/A SER 94.F N SER 31.F O no hydrogen 3.104 N/A SER 94.F OG TYR 33.F OH no hydrogen 2.870 N/A SER 94.F OG TRP 96.F O no hydrogen 3.322 N/A THR 97.F OG1 SER 31.F OG no hydrogen 2.153 N/A THR 97.F OG1 ALA 50.F O no hydrogen 3.486 N/A GLU 103.F N GLU 103.F OE1 no hydrogen 2.650 N/A PHE 105.F N SER 93.F O no hydrogen 2.931 N/A GLY 107.F N CYS 91.F O no hydrogen 2.858 N/A SER 110.F N TYR 89.F O no hydrogen 2.749 N/A SER 110.F OG PRO 8.F O no hydrogen 2.705 N/A ARG 111.F N LYS 9.F O no hydrogen 2.916 N/A ARG 111.F NE.A ASP 154.F OD1.B no hydrogen 3.498 N/A ARG 111.F NH1.A ASP 154.F OD1.B no hydrogen 3.356 N/A ARG 111.F NH2.A SER 87.F O no hydrogen 3.201 N/A ARG 111.F NH2.C ASP 154.F OD2.A no hydrogen 3.142 N/A LEU 112.F N SER 87.F O no hydrogen 2.964 N/A THR 113.F N GLN 11.F O no hydrogen 3.029 N/A THR 113.F OG1 HIS 155.F NE2 no hydrogen 2.842 N/A VAL 114.F N THR 86.F OG1 no hydrogen 2.864 N/A LEU 115.F N LEU 13.F O no hydrogen 2.678 N/A LYS 119.F N ASP 117.F OD1 no hydrogen 2.876 N/A LYS 119.F NZ ASP 117.F OD1 no hydrogen 2.914 N/A ASN 120.F N ASP 117.F O no hydrogen 3.390 N/A ASN 120.F ND2 ASP 117.F O no hydrogen 3.631 N/A VAL 121.F N LEU 118.F O no hydrogen 3.109 N/A PHE 122.F N TYR 152.F O no hydrogen 2.856 N/A GLU 125.F N THR 149.F O no hydrogen 2.885 N/A ALA 127.F N LEU 147.F O no hydrogen 3.080 N/A PHE 129.F N VAL 145.F O no hydrogen 2.770 N/A ILE 136.F N SER 132.F O no hydrogen 3.025 N/A SER 137.F N GLU 133.F O no hydrogen 2.848 N/A HIS 138.F N ALA 134.F O no hydrogen 2.839 N/A HIS 138.F N GLU 135.F O no hydrogen 3.277 N/A THR 139.F N GLU 135.F O no hydrogen 2.867 N/A THR 139.F OG1 GLU 135.F O no hydrogen 2.503 N/A THR 139.F OG1 LYS 141.F O no hydrogen 3.392 N/A GLN 140.F N ILE 136.F O no hydrogen 2.917 N/A LYS 141.F N THR 139.F OG1 no hydrogen 3.134 N/A ALA 142.F N VAL 197.F O no hydrogen 2.811 N/A THR 143.F N GLU 135.F OE2 no hydrogen 2.838 N/A THR 143.F OG1 GLU 135.F OE1 no hydrogen 2.606 N/A THR 143.F OG1 GLU 135.F OE2 no hydrogen 3.284 N/A LEU 144.F N LEU 195.F O no hydrogen 2.868 N/A VAL 145.F N PHE 129.F O no hydrogen 3.173 N/A CYS 146.F N SER 193.F O no hydrogen 2.834 N/A CYS 146.F SG ALA 127.F O no hydrogen 3.953 N/A LEU 147.F N ALA 127.F O no hydrogen 2.939 N/A ALA 148.F N LEU 191.F O no hydrogen 2.852 N/A THR 149.F N GLU 125.F O no hydrogen 2.817 N/A THR 149.F OG1 GLU 125.F O no hydrogen 3.493 N/A GLY 150.F N GLU 180.F OE2 no hydrogen 3.080 N/A PHE 151.F N TYR 189.F O no hydrogen 3.201 N/A TYR 152.F N PHE 122.F O no hydrogen 2.888 N/A HIS 155.F N PRO 153.F O no hydrogen 2.821 N/A HIS 155.F NE2 THR 113.F OG1 no hydrogen 2.842 N/A GLU 157.F N GLN 214.F O no hydrogen 2.970 N/A SER 159.F N GLN 212.F O no hydrogen 2.823 N/A TRP 160.F NE1 SER 193.F OG no hydrogen 2.865 N/A TRP 161.F N ARG 210.F O no hydrogen 2.747 N/A TRP 161.F NE1 SER 159.F OG no hydrogen 2.766 N/A VAL 162.F N LYS 165.F O no hydrogen 2.740 N/A ASN 163.F N HIS 208.F O no hydrogen 2.841 N/A ASN 163.F ND2 ASN 207.F OD1 no hydrogen 3.041 N/A LYS 165.F N VAL 162.F O no hydrogen 2.947 N/A VAL 167.F N TRP 160.F O no hydrogen 2.913 N/A VAL 171.F N HIS 168.F O no hydrogen 3.308 N/A CYS 172.F N ARG 194.F O no hydrogen 3.079 N/A THR 173.F OG1 SER 193.F OG no hydrogen 2.633 N/A ASP 174.F N SER 192.F O no hydrogen 3.051 N/A LEU 178.F N ALA 190.F O no hydrogen 2.707 N/A GLU 180.F N ARG 188.F O no hydrogen 2.975 N/A GLN 181.F N SER 187.F OG no hydrogen 2.812 N/A LEU 184.F N GLN 181.F O no hydrogen 2.951 N/A SER 187.F N LEU 184.F O no hydrogen 3.184 N/A SER 187.F OG ARG 188.F O no hydrogen 2.677 N/A ARG 188.F N GLN 181.F OE1.A no hydrogen 2.930 N/A TYR 189.F N PHE 151.F O no hydrogen 2.801 N/A ALA 190.F N LEU 178.F O no hydrogen 2.997 N/A LEU 191.F N ALA 148.F O no hydrogen 2.786 N/A SER 192.F N ASP 174.F OD2 no hydrogen 2.904 N/A SER 192.F OG ASP 174.F OD1 no hydrogen 3.351 N/A SER 192.F OG ASP 174.F OD2 no hydrogen 2.738 N/A SER 193.F N CYS 146.F O no hydrogen 2.952 N/A SER 193.F OG CYS 172.F O no hydrogen 3.241 N/A SER 193.F OG THR 173.F OG1 no hydrogen 2.633 N/A ARG 194.F N CYS 172.F O no hydrogen 3.012 N/A ARG 194.F NH2 CYS 172.F O no hydrogen 3.559 N/A ARG 194.F NH2 ASP 174.F OD1 no hydrogen 2.899 N/A LEU 195.F N LEU 144.F O no hydrogen 2.948 N/A ARG 196.F N GLY 170.F O no hydrogen 2.766 N/A ARG 196.F NE GLU 135.F OE1 no hydrogen 2.723 N/A ARG 196.F NH2 GLU 135.F OE1 no hydrogen 2.741 N/A VAL 197.F N ALA 142.F O no hydrogen 2.795 N/A SER 198.F OG THR 200.F OG1.A no hydrogen 3.308 N/A ALA 199.F N GLN 140.F O no hydrogen 2.872 N/A THR 200.F OG1.A SER 198.F OG no hydrogen 3.308 N/A PHE 201.F N SER 198.F OG no hydrogen 3.213 N/A TRP 202.F N SER 198.F O no hydrogen 3.164 N/A GLN 203.F N ALA 199.F O no hydrogen 2.902 N/A GLN 203.F N THR 200.F O no hydrogen 3.267 N/A ARG 206.F N ASN 204.F OD1 no hydrogen 2.830 N/A ASN 207.F N ASN 204.F O no hydrogen 3.010 N/A ASN 207.F ND2 PHE 201.F O no hydrogen 2.764 N/A HIS 208.F N ASN 163.F OD1 no hydrogen 2.784 N/A HIS 208.F NE2 GLU 239.F OE2 no hydrogen 2.646 N/A PHE 209.F N ALA 240.F O no hydrogen 2.862 N/A ARG 210.F N TRP 161.F O no hydrogen 2.753 N/A ARG 210.F NH1 GLN 212.F OE1 no hydrogen 3.028 N/A ARG 210.F NH1 SER 237.F OG no hydrogen 2.764 N/A ARG 210.F NH2 GLN 212.F OE1 no hydrogen 3.231 N/A CYS 211.F N.A ALA 238.F O no hydrogen 2.851 N/A CYS 211.F N.B ALA 238.F O no hydrogen 2.906 N/A GLN 212.F N SER 159.F O no hydrogen 2.823 N/A VAL 213.F N VAL 236.F O no hydrogen 2.895 N/A GLN 214.F N GLU 157.F O no hydrogen 2.928 N/A GLN 214.F NE2 PHE 215.F O no hydrogen 3.298 N/A PHE 215.F N GLN 234.F O no hydrogen 2.674 N/A TYR 216.F N HIS 155.F O no hydrogen 2.993 N/A TYR 216.F OH GLU 157.F OE1 no hydrogen 2.841 N/A GLY 217.F N THR 233.F OG1 no hydrogen 2.955 N/A LEU 218.F N PRO 231.F O no hydrogen 2.992 N/A SER 219.F N ASP 222.F OD2 no hydrogen 2.813 N/A SER 219.F OG ASP 222.F OD2 no hydrogen 2.761 N/A ASP 222.F N SER 219.F O no hydrogen 3.389 N/A TRP 224.F NE1 ARG 228.F O no hydrogen 2.852 N/A THR 225.F N GLN 226.F OE1.B no hydrogen 3.224 N/A GLN 226.F NE2.B THR 225.F OG1 no hydrogen 3.177 N/A ARG 228.F NH1 VAL 121.F O no hydrogen 2.930 N/A ARG 228.F NH2 VAL 121.F O no hydrogen 3.124 N/A LYS 230.F NZ SER 219.F O no hydrogen 2.812 N/A LYS 230.F NZ ASP 222.F O no hydrogen 2.791 N/A VAL 232.F N LYS 230.F O no hydrogen 2.930 N/A THR 233.F N LEU 218.F O no hydrogen 3.433 N/A GLN 234.F N PHE 215.F O no hydrogen 2.855 N/A GLN 234.F NE2 VAL 232.F O no hydrogen 2.757 N/A VAL 236.F N VAL 213.F O no hydrogen 2.963 N/A ALA 238.F N CYS 211.F O.A no hydrogen 3.049 N/A ALA 238.F N CYS 211.F O.B no hydrogen 3.098 N/A ALA 240.F N PHE 209.F O no hydrogen 2.886 N/A GLY 242.F N ASN 207.F O no hydrogen 2.868 N/A ARG 243.F N TRP 202.F O no hydrogen 2.958 N/A