Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vbw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N ILE 18.A O no hydrogen 2.776 N/A GLY 7.A N SER 16.A O no hydrogen 2.591 N/A LEU 10.A N VAL 14.A O no hydrogen 2.817 N/A VAL 14.A N GLY 11.A O no hydrogen 3.209 N/A TYR 15.A N ILE 28.A O no hydrogen 2.822 N/A SER 16.A N PRO 8.A O no hydrogen 2.884 N/A GLY 17.A N VAL 26.A O no hydrogen 2.692 N/A ILE 18.A N GLN 5.A O no hydrogen 2.884 N/A ARG 19.A N LEU 24.A O no hydrogen 2.980 N/A ARG 19.A NH1 ASP 22.A OD1 no hydrogen 2.981 N/A VAL 20.A N GLN 3.A O no hydrogen 3.195 N/A ASP 22.A N ARG 19.A O no hydrogen 3.245 N/A VAL 26.A N GLY 17.A O no hydrogen 2.970 N/A ALA 27.A N LEU 79.A O no hydrogen 2.910 N/A ILE 28.A N TYR 15.A O no hydrogen 2.795 N/A LYS 29.A N LEU 77.A O no hydrogen 2.739 N/A LYS 29.A NZ GLU 48.A OE2 no hydrogen 2.879 N/A HIS 30.A N SER 13.A O no hydrogen 2.922 N/A VAL 31.A N PHE 75.A O no hydrogen 2.969 N/A LYS 33.A N ASP 73.A O no hydrogen 2.992 N/A LYS 33.A NZ GLU 70.A OE2 no hydrogen 2.740 N/A LYS 33.A NZ ARG 71.A O no hydrogen 2.754 N/A LYS 33.A NZ PRO 72.A O no hydrogen 2.831 N/A ARG 35.A N GLU 32.A O no hydrogen 2.987 N/A ILE 36.A N LYS 33.A O no hydrogen 3.396 N/A GLY 40.A N VAL 45.A O no hydrogen 2.659 N/A VAL 45.A N GLY 40.A O no hydrogen 3.047 N/A MET 47.A N ASP 38.A O no hydrogen 2.700 N/A VAL 50.A N PRO 46.A O no hydrogen 3.337 N/A LEU 51.A N MET 47.A O no hydrogen 2.948 N/A LEU 52.A N GLU 48.A O no hydrogen 2.911 N/A LYS 53.A N VAL 49.A O no hydrogen 2.975 N/A LYS 54.A N VAL 50.A O no hydrogen 3.094 N/A VAL 55.A N LEU 51.A O no hydrogen 3.013 N/A VAL 55.A N LEU 52.A O no hydrogen 3.116 N/A SER 56.A N LYS 53.A O no hydrogen 3.506 N/A SER 56.A OG LEU 52.A O no hydrogen 2.500 N/A GLY 61.A N SER 60.A OG no hydrogen 2.309 N/A ILE 63.A N LEU 143.A O no hydrogen 3.058 N/A ARG 64.A N GLU 80.A OE1 no hydrogen 2.713 N/A ARG 64.A NE SER 56.A O no hydrogen 2.958 N/A ARG 64.A NH2 SER 56.A O no hydrogen 3.290 N/A LEU 65.A N SER 56.A OG no hydrogen 2.953 N/A LEU 66.A N ILE 78.A O no hydrogen 2.767 N/A TRP 68.A N ASP 67.A OD1 no hydrogen 2.743 N/A PHE 69.A N VAL 76.A O no hydrogen 2.857 N/A ARG 71.A N SER 74.A O no hydrogen 2.662 N/A PHE 75.A N VAL 31.A O no hydrogen 2.966 N/A VAL 76.A N PHE 69.A O no hydrogen 2.870 N/A LEU 77.A N LYS 29.A O no hydrogen 2.843 N/A ILE 78.A N ASP 67.A O no hydrogen 2.957 N/A LEU 79.A N ALA 27.A O no hydrogen 2.841 N/A GLU 80.A N ARG 64.A O no hydrogen 3.084 N/A ARG 81.A NE VAL 26.A O no hydrogen 2.933 N/A ARG 81.A NH2 GLY 17.A O no hydrogen 2.672 N/A GLN 86.A N ILE 134.A O no hydrogen 2.917 N/A GLN 86.A NE2 GLU 94.A OE1 no hydrogen 3.306 N/A LEU 88.A N ILE 132.A O no hydrogen 2.786 N/A ASP 90.A N ASP 87.A OD1 no hydrogen 2.886 N/A PHE 91.A N ASP 87.A O no hydrogen 3.013 N/A ILE 92.A N LEU 88.A O no hydrogen 2.930 N/A THR 93.A N PHE 89.A O no hydrogen 2.855 N/A THR 93.A OG1 PHE 89.A O no hydrogen 3.072 N/A GLU 94.A N ASP 90.A O no hydrogen 2.813 N/A ARG 95.A N PHE 91.A O no hydrogen 2.805 N/A ARG 95.A NH1 HIS 262.A O no hydrogen 3.223 N/A ARG 95.A NH2 HIS 262.A O no hydrogen 3.059 N/A GLY 96.A N ILE 92.A O no hydrogen 2.776 N/A LEU 98.A N MET 194.A O no hydrogen 2.830 N/A ALA 103.A N GLN 99.A O no hydrogen 2.903 N/A ARG 104.A N GLU 100.A O no hydrogen 2.765 N/A ARG 104.A NE TRP 248.A O no hydrogen 2.626 N/A ARG 104.A NH2 TRP 248.A O no hydrogen 3.496 N/A SER 105.A N GLU 101.A O no hydrogen 3.174 N/A SER 105.A OG THR 258.A OG1 no hydrogen 2.649 N/A PHE 106.A N LEU 102.A O no hydrogen 2.976 N/A PHE 107.A N ALA 103.A O no hydrogen 2.763 N/A TRP 108.A N ARG 104.A O no hydrogen 2.992 N/A GLN 109.A N SER 105.A O no hydrogen 3.114 N/A GLN 109.A NE2 SER 105.A O no hydrogen 3.660 N/A GLN 109.A NE2 SER 105.A OG no hydrogen 3.274 N/A GLN 109.A NE2 GLY 139.A O no hydrogen 2.826 N/A VAL 110.A N PHE 106.A O no hydrogen 2.971 N/A LEU 111.A N PHE 107.A O no hydrogen 2.854 N/A GLU 112.A N TRP 108.A O no hydrogen 2.902 N/A ALA 113.A N GLN 109.A O no hydrogen 3.080 N/A VAL 114.A N VAL 110.A O no hydrogen 2.868 N/A ARG 115.A N LEU 111.A O no hydrogen 2.960 N/A ARG 115.A NH1 GLU 112.A OE2 no hydrogen 3.494 N/A ARG 115.A NH1 GLN 244.A OE1 no hydrogen 3.221 N/A HIS 116.A N GLU 112.A O no hydrogen 2.805 N/A HIS 116.A NE2 VAL 55.A O no hydrogen 2.750 N/A CYS 117.A N ALA 113.A O no hydrogen 2.822 N/A CYS 117.A SG ALA 113.A O no hydrogen 3.297 N/A HIS 118.A N VAL 114.A O no hydrogen 2.891 N/A ASN 119.A N ARG 115.A O no hydrogen 2.842 N/A CYS 120.A N HIS 116.A O no hydrogen 3.036 N/A CYS 120.A N CYS 117.A O no hydrogen 2.972 N/A CYS 120.A SG LYS 54.A O no hydrogen 3.191 N/A CYS 120.A SG HIS 116.A O no hydrogen 3.521 N/A GLY 121.A N HIS 118.A O no hydrogen 2.941 N/A VAL 122.A N CYS 117.A O no hydrogen 2.871 N/A LEU 123.A N ALA 150.A O no hydrogen 2.798 N/A HIS 124.A NE2 ILE 144.A O no hydrogen 2.840 N/A ARG 125.A NE SER 148.A O no hydrogen 2.638 N/A ARG 125.A NH1 ASP 159.A OD1 no hydrogen 3.330 N/A ARG 125.A NH1 ASP 159.A OD2 no hydrogen 3.391 N/A ARG 125.A NH1 TYR 177.A OH no hydrogen 2.992 N/A ARG 125.A NH2 SER 148.A O no hydrogen 2.987 N/A ARG 125.A NH2 GLY 149.A O no hydrogen 3.119 N/A ASP 126.A N HIS 124.A ND1 no hydrogen 2.973 N/A LYS 128.A NZ GLU 130.A OE1 no hydrogen 2.822 N/A LYS 128.A NZ THR 163.A OG1 no hydrogen 2.835 N/A ASP 129.A N TYR 166.A OH no hydrogen 3.471 N/A ASN 131.A N LYS 128.A O no hydrogen 2.981 N/A ASN 131.A ND2 ASP 126.A O no hydrogen 2.788 N/A ASN 131.A ND2 ASP 126.A OD2 no hydrogen 2.891 N/A ILE 132.A N ASP 129.A O no hydrogen 3.156 N/A LEU 133.A N LYS 142.A O no hydrogen 2.808 N/A ILE 134.A N GLN 86.A O no hydrogen 2.904 N/A ASP 135.A N GLU 140.A O no hydrogen 2.884 N/A LEU 136.A N PRO 84.A O no hydrogen 3.206 N/A ASN 137.A N ASP 135.A OD1 no hydrogen 2.987 N/A ARG 138.A N ASP 135.A OD1 no hydrogen 2.896 N/A LEU 141.A N GLN 109.A OE1 no hydrogen 3.011 N/A LYS 142.A N LEU 133.A O no hydrogen 2.799 N/A LYS 142.A NZ SER 60.A OG no hydrogen 2.714 N/A LEU 143.A N GLY 61.A O no hydrogen 2.986 N/A ILE 144.A N ASN 131.A O no hydrogen 3.010 N/A GLY 147.A N ASP 145.A OD2 no hydrogen 3.122 N/A SER 148.A OG ASP 161.A O no hydrogen 3.355 N/A GLY 149.A N PHE 146.A O no hydrogen 2.970 N/A ALA 150.A N LEU 123.A O no hydrogen 2.898 N/A LEU 152.A N GLY 121.A O no hydrogen 2.473 N/A LYS 153.A N TYR 157.A OH no hydrogen 3.112 N/A TYR 157.A N TYR 177.A O no hydrogen 2.732 N/A TYR 157.A OH LEU 151.A O no hydrogen 2.591 N/A THR 163.A OG1 ASP 126.A OD1 no hydrogen 2.341 N/A ARG 164.A NE ASP 204.A OD1 no hydrogen 2.851 N/A ARG 164.A NE ASP 204.A OD2 no hydrogen 3.404 N/A ARG 164.A NH2 ASP 204.A OD2 no hydrogen 2.887 N/A TYR 166.A N THR 163.A O no hydrogen 3.208 N/A SER 167.A N ARG 164.A O no hydrogen 2.745 N/A SER 167.A OG ARG 164.A O no hydrogen 2.655 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 2.715 N/A TRP 171.A N PRO 168.A O no hydrogen 2.868 N/A ILE 172.A N PRO 168.A O no hydrogen 3.024 N/A ARG 173.A N PRO 169.A O no hydrogen 2.755 N/A ARG 173.A NE TYR 174.A OH no hydrogen 3.221 N/A ARG 173.A NH2 TYR 174.A OH no hydrogen 3.464 N/A TYR 174.A N GLU 170.A O no hydrogen 3.059 N/A HIS 175.A N TRP 171.A O no hydrogen 2.848 N/A TYR 177.A N TYR 157.A O no hydrogen 3.123 N/A TYR 177.A OH ASP 159.A O no hydrogen 2.633 N/A ARG 180.A NH1 ASP 154.A OD1 no hydrogen 2.703 N/A ARG 180.A NH2 ASP 154.A OD1 no hydrogen 2.922 N/A SER 181.A OG HIS 178.A O no hydrogen 3.549 N/A ALA 182.A N HIS 178.A O no hydrogen 3.176 N/A ALA 183.A N GLY 179.A O no hydrogen 2.863 N/A VAL 184.A N ARG 180.A O no hydrogen 2.810 N/A TRP 185.A N SER 181.A O no hydrogen 3.012 N/A SER 186.A N ALA 182.A O no hydrogen 3.114 N/A SER 186.A OG ALA 183.A O no hydrogen 2.504 N/A LEU 187.A N ALA 183.A O no hydrogen 2.880 N/A GLY 188.A N VAL 184.A O no hydrogen 2.776 N/A ILE 189.A N TRP 185.A O no hydrogen 2.969 N/A LEU 190.A N SER 186.A O no hydrogen 2.870 N/A LEU 191.A N LEU 187.A O no hydrogen 2.905 N/A TYR 192.A N GLY 188.A O no hydrogen 3.136 N/A TYR 192.A OH PHE 213.A O no hydrogen 2.511 N/A ASP 193.A N ILE 189.A O no hydrogen 2.977 N/A MET 194.A N LEU 190.A O no hydrogen 2.896 N/A VAL 195.A N LEU 191.A O no hydrogen 2.877 N/A CYS 196.A N TYR 192.A O no hydrogen 2.597 N/A GLY 197.A N ASP 193.A O no hydrogen 2.896 N/A ILE 199.A N ASP 198.A OD1 no hydrogen 2.680 N/A GLU 202.A N GLU 206.A OE2 no hydrogen 2.395 N/A HIS 203.A N GLU 206.A OE2 no hydrogen 2.923 N/A ILE 207.A N HIS 203.A O no hydrogen 3.219 N/A ILE 208.A N ASP 204.A O no hydrogen 2.771 N/A ARG 209.A N GLU 205.A O no hydrogen 2.934 N/A GLY 210.A N GLU 206.A O no hydrogen 2.878 N/A GLY 210.A N ILE 207.A O no hydrogen 3.010 N/A ARG 215.A NE TYR 192.A OH no hydrogen 3.192 N/A SER 219.A N GLU 100.A OE2 no hydrogen 2.792 N/A SER 219.A OG GLU 100.A OE1 no hydrogen 2.779 N/A SER 219.A OG GLU 100.A OE2 no hydrogen 3.337 N/A GLN 223.A N SER 219.A O no hydrogen 3.008 N/A GLN 223.A NE2 VAL 218.A O no hydrogen 3.268 N/A HIS 224.A N SER 220.A O no hydrogen 2.785 N/A LEU 225.A N GLU 221.A O no hydrogen 2.894 N/A ILE 226.A N CYS 222.A O no hydrogen 2.999 N/A ARG 227.A N GLN 223.A O no hydrogen 2.983 N/A ARG 227.A NH1 GLN 223.A OE1 no hydrogen 2.625 N/A ARG 227.A NH2 VAL 212.A O no hydrogen 2.644 N/A TRP 228.A N HIS 224.A O no hydrogen 2.811 N/A CYS 229.A N LEU 225.A O no hydrogen 2.967 N/A CYS 229.A SG LEU 225.A O no hydrogen 3.501 N/A LEU 230.A N ILE 226.A O no hydrogen 2.945 N/A ALA 231.A N TRP 228.A O no hydrogen 3.146 N/A ASP 236.A N ARG 233.A O no hydrogen 2.940 N/A ARG 237.A N PRO 234.A O no hydrogen 3.234 N/A ARG 237.A NE ALA 231.A O no hydrogen 2.922 N/A ARG 237.A NH1 GLU 170.A OE2 no hydrogen 2.688 N/A ARG 237.A NH1 SER 181.A O no hydrogen 3.026 N/A ARG 237.A NH2 GLU 170.A OE1 no hydrogen 2.757 N/A ARG 237.A NH2 GLU 170.A OE2 no hydrogen 3.395 N/A ARG 237.A NH2 ALA 231.A O no hydrogen 3.212 N/A THR 239.A N GLU 242.A OE1 no hydrogen 3.042 N/A THR 239.A OG1 GLU 242.A OE1 no hydrogen 3.266 N/A GLU 242.A N THR 239.A OG1 no hydrogen 3.029 N/A ILE 243.A N THR 239.A O no hydrogen 2.978 N/A GLN 244.A N PHE 240.A O no hydrogen 3.015 N/A GLN 244.A NE2 GLU 112.A OE2 no hydrogen 2.806 N/A ASN 245.A N GLU 241.A O no hydrogen 3.093 N/A ASN 245.A N GLU 242.A O no hydrogen 3.349 N/A HIS 246.A N ILE 243.A O no hydrogen 3.276 N/A TRP 248.A NE1 GLU 100.A OE1 no hydrogen 2.690 N/A MET 249.A N HIS 246.A O no hydrogen 2.755 N/A GLN 250.A N PRO 247.A O no hydrogen 3.074 N/A GLN 250.A NE2 GLN 244.A O no hydrogen 3.628 N/A GLN 250.A NE2 HIS 246.A O no hydrogen 3.100 N/A LEU 254.A N GLU 257.A OE1 no hydrogen 2.723 N/A GLN 256.A NE2 ASN 137.A O no hydrogen 3.316 N/A GLN 256.A NE2 GLN 256.A O no hydrogen 3.012 N/A THR 258.A N LEU 254.A O no hydrogen 2.965 N/A THR 258.A OG1 SER 105.A OG no hydrogen 2.649 N/A THR 258.A OG1 LEU 254.A O no hydrogen 2.671 N/A ALA 259.A N PRO 255.A O no hydrogen 3.010 N/A GLU 260.A N GLN 256.A O no hydrogen 3.111 N/A ILE 261.A N GLU 257.A O no hydrogen 2.990 N/A HIS 262.A N THR 258.A O no hydrogen 2.949 N/A HIS 262.A NE2 GLU 101.A OE1 no hydrogen 2.826 N/A LEU 263.A N ALA 259.A O no hydrogen 2.909 N/A