Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vby_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N ILE 22.A O no hydrogen 2.763 N/A GLY 7.A N SER 20.A O no hydrogen 2.631 N/A LEU 10.A N VAL 18.A O no hydrogen 2.650 N/A GLY 11.A N VAL 18.A O no hydrogen 3.359 N/A GLY 13.A N GLY 16.A O no hydrogen 3.029 N/A GLY 16.A N GLY 13.A O no hydrogen 3.010 N/A SER 17.A N HIS 34.A O no hydrogen 2.949 N/A VAL 18.A N GLY 11.A O no hydrogen 2.880 N/A TYR 19.A N ILE 32.A O no hydrogen 2.750 N/A SER 20.A N PRO 8.A O no hydrogen 2.823 N/A GLY 21.A N VAL 30.A O no hydrogen 2.762 N/A ILE 22.A N GLN 5.A O no hydrogen 2.835 N/A ARG 23.A N LEU 28.A O no hydrogen 2.855 N/A ARG 23.A NH1 ASP 26.A OD1 no hydrogen 3.213 N/A VAL 24.A N GLN 3.A O no hydrogen 3.033 N/A LEU 28.A N ASP 26.A OD1 no hydrogen 3.233 N/A VAL 30.A N GLY 21.A O no hydrogen 2.745 N/A ALA 31.A N LEU 82.A O no hydrogen 2.945 N/A ILE 32.A N TYR 19.A O no hydrogen 2.789 N/A LYS 33.A N LEU 80.A O no hydrogen 2.956 N/A LYS 33.A NZ PHE 15.A O no hydrogen 3.133 N/A LYS 33.A NZ GLU 51.A OE1 no hydrogen 2.761 N/A HIS 34.A N SER 17.A O no hydrogen 3.062 N/A VAL 35.A N PHE 78.A O no hydrogen 3.242 N/A LYS 37.A N ASP 76.A O no hydrogen 2.848 N/A LYS 37.A NZ GLU 73.A OE2 no hydrogen 2.745 N/A LYS 37.A NZ ARG 74.A O no hydrogen 3.018 N/A LYS 37.A NZ PRO 75.A O no hydrogen 2.867 N/A ARG 39.A N GLU 36.A O no hydrogen 2.988 N/A ARG 39.A NH1 GLU 36.A OE1 no hydrogen 2.744 N/A ILE 40.A N LYS 37.A O no hydrogen 3.196 N/A GLY 44.A N VAL 48.A O no hydrogen 2.873 N/A VAL 48.A N GLY 44.A O no hydrogen 3.023 N/A MET 50.A N ASP 42.A O no hydrogen 2.911 N/A VAL 52.A N PRO 49.A O no hydrogen 2.946 N/A VAL 53.A N PRO 49.A O no hydrogen 3.433 N/A LEU 54.A N MET 50.A O no hydrogen 2.831 N/A LEU 55.A N GLU 51.A O no hydrogen 2.745 N/A LYS 56.A N VAL 52.A O no hydrogen 2.907 N/A LYS 57.A N VAL 53.A O no hydrogen 3.106 N/A LYS 57.A NZ CYS 123.A O no hydrogen 3.252 N/A VAL 58.A N LEU 54.A O no hydrogen 3.094 N/A SER 59.A OG LEU 55.A O no hydrogen 2.453 N/A ILE 66.A N LEU 146.A O no hydrogen 3.011 N/A ARG 67.A N GLU 83.A OE1 no hydrogen 2.958 N/A ARG 67.A NE GLY 61.A O no hydrogen 2.902 N/A ARG 67.A NH2 GLY 61.A O no hydrogen 3.107 N/A LEU 68.A N SER 59.A OG no hydrogen 3.027 N/A LEU 69.A N ILE 81.A O no hydrogen 2.827 N/A TRP 71.A N ASP 70.A OD1 no hydrogen 2.908 N/A PHE 72.A N VAL 79.A O no hydrogen 2.743 N/A ARG 74.A N SER 77.A O no hydrogen 2.772 N/A PHE 78.A N VAL 35.A O no hydrogen 3.054 N/A VAL 79.A N PHE 72.A O no hydrogen 2.907 N/A LEU 80.A N LYS 33.A O no hydrogen 2.848 N/A ILE 81.A N ASP 70.A O no hydrogen 2.749 N/A LEU 82.A N ALA 31.A O no hydrogen 2.809 N/A GLU 83.A N ARG 67.A O no hydrogen 3.022 N/A ARG 84.A NE VAL 30.A O no hydrogen 2.777 N/A ARG 84.A NH1 GLU 86.A OE2 no hydrogen 3.434 N/A ARG 84.A NH2 GLY 21.A O no hydrogen 2.807 N/A GLN 89.A N ILE 137.A O no hydrogen 3.035 N/A LEU 91.A N ILE 135.A O no hydrogen 2.902 N/A ASP 93.A N ASP 90.A OD1 no hydrogen 2.630 N/A PHE 94.A N ASP 90.A O no hydrogen 2.964 N/A ILE 95.A N LEU 91.A O no hydrogen 2.848 N/A THR 96.A N PHE 92.A O no hydrogen 2.859 N/A THR 96.A OG1 PHE 92.A O no hydrogen 2.970 N/A GLU 97.A N ASP 93.A O no hydrogen 3.071 N/A ARG 98.A N PHE 94.A O no hydrogen 3.066 N/A ARG 98.A NH1 HIS 265.A O no hydrogen 3.294 N/A ARG 98.A NH2 HIS 265.A O no hydrogen 2.814 N/A GLY 99.A N ILE 95.A O no hydrogen 2.798 N/A LEU 101.A N MET 197.A O no hydrogen 2.953 N/A ALA 106.A N GLN 102.A O no hydrogen 2.983 N/A ARG 107.A N GLU 103.A O no hydrogen 2.694 N/A ARG 107.A NE TRP 251.A O no hydrogen 2.547 N/A ARG 107.A NH2 TRP 251.A O no hydrogen 3.111 N/A SER 108.A N GLU 104.A O no hydrogen 3.250 N/A SER 108.A OG THR 261.A OG1 no hydrogen 2.531 N/A PHE 109.A N LEU 105.A O no hydrogen 2.942 N/A PHE 110.A N ALA 106.A O no hydrogen 2.706 N/A TRP 111.A N ARG 107.A O no hydrogen 2.892 N/A GLN 112.A N SER 108.A O no hydrogen 3.121 N/A GLN 112.A NE2 GLY 142.A O no hydrogen 2.790 N/A VAL 113.A N PHE 109.A O no hydrogen 2.855 N/A LEU 114.A N PHE 110.A O no hydrogen 2.888 N/A GLU 115.A N TRP 111.A O no hydrogen 2.866 N/A ALA 116.A N GLN 112.A O no hydrogen 3.164 N/A VAL 117.A N VAL 113.A O no hydrogen 2.966 N/A ARG 118.A N LEU 114.A O no hydrogen 2.926 N/A ARG 118.A NH1 GLN 247.A OE1 no hydrogen 3.057 N/A HIS 119.A N GLU 115.A O no hydrogen 2.942 N/A HIS 119.A NE2 VAL 58.A O no hydrogen 2.774 N/A CYS 120.A N ALA 116.A O no hydrogen 2.847 N/A CYS 120.A SG ALA 116.A O no hydrogen 3.192 N/A HIS 121.A N VAL 117.A O no hydrogen 2.876 N/A ASN 122.A N ARG 118.A O no hydrogen 2.770 N/A CYS 123.A N HIS 119.A O no hydrogen 3.004 N/A CYS 123.A SG LYS 57.A O no hydrogen 3.358 N/A CYS 123.A SG HIS 119.A O no hydrogen 3.420 N/A GLY 124.A N HIS 121.A O no hydrogen 3.019 N/A VAL 125.A N CYS 120.A O no hydrogen 2.978 N/A LEU 126.A N ALA 153.A O no hydrogen 2.796 N/A HIS 127.A NE2 ILE 147.A O no hydrogen 2.780 N/A ARG 128.A NE SER 151.A O no hydrogen 2.680 N/A ARG 128.A NH1 ASP 162.A OD1 no hydrogen 3.029 N/A ARG 128.A NH1 ASP 162.A OD2 no hydrogen 3.421 N/A ARG 128.A NH1 TYR 180.A OH no hydrogen 2.925 N/A ARG 128.A NH2 SER 151.A O no hydrogen 3.027 N/A ARG 128.A NH2 GLY 152.A O no hydrogen 3.264 N/A ARG 128.A NH2 ASP 162.A OD1 no hydrogen 3.120 N/A ASP 129.A N HIS 127.A ND1 no hydrogen 2.825 N/A LYS 131.A NZ GLU 133.A OE1 no hydrogen 2.933 N/A LYS 131.A NZ THR 166.A OG1 no hydrogen 2.958 N/A ASP 132.A N TYR 169.A OH no hydrogen 3.422 N/A ASN 134.A N LYS 131.A O no hydrogen 2.956 N/A ASN 134.A ND2 ASP 129.A O no hydrogen 2.753 N/A ASN 134.A ND2 ASP 129.A OD2 no hydrogen 2.898 N/A ILE 135.A N ASP 132.A O no hydrogen 3.152 N/A LEU 136.A N LYS 145.A O no hydrogen 2.730 N/A ILE 137.A N GLN 89.A O no hydrogen 2.798 N/A ASP 138.A N GLU 143.A O no hydrogen 2.757 N/A LEU 139.A N PRO 87.A O no hydrogen 2.956 N/A ASN 140.A N ASP 138.A OD1 no hydrogen 3.125 N/A ARG 141.A N ASP 138.A OD1 no hydrogen 2.981 N/A GLY 142.A N ASP 138.A O no hydrogen 2.784 N/A LEU 144.A N GLN 112.A OE1 no hydrogen 2.884 N/A LYS 145.A N LEU 136.A O no hydrogen 2.783 N/A LYS 145.A NZ SER 63.A O no hydrogen 2.791 N/A LEU 146.A N GLY 64.A O no hydrogen 2.832 N/A ILE 147.A N ASN 134.A O no hydrogen 2.963 N/A GLY 150.A N ASP 148.A OD2 no hydrogen 3.020 N/A SER 151.A OG ASP 164.A O no hydrogen 3.313 N/A GLY 152.A N PHE 149.A O no hydrogen 3.002 N/A ALA 153.A N LEU 126.A O no hydrogen 2.811 N/A LEU 155.A N GLY 124.A O no hydrogen 2.541 N/A LYS 156.A NZ VAL 159.A O no hydrogen 3.379 N/A TYR 160.A N TYR 180.A O no hydrogen 2.710 N/A TYR 160.A OH LEU 154.A O no hydrogen 2.644 N/A THR 166.A OG1 ASP 129.A OD1 no hydrogen 2.670 N/A ARG 167.A NE ASP 207.A OD1 no hydrogen 2.817 N/A ARG 167.A NE ASP 207.A OD2 no hydrogen 3.182 N/A ARG 167.A NH2 ASP 207.A OD2 no hydrogen 2.766 N/A TYR 169.A N THR 166.A O no hydrogen 3.004 N/A SER 170.A N ARG 167.A O no hydrogen 2.731 N/A SER 170.A OG ARG 167.A O no hydrogen 2.699 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.624 N/A TRP 174.A N PRO 171.A O no hydrogen 3.023 N/A ILE 175.A N PRO 171.A O no hydrogen 3.099 N/A ARG 176.A N PRO 172.A O no hydrogen 2.881 N/A ARG 176.A NE TYR 177.A OH no hydrogen 3.253 N/A TYR 177.A N GLU 173.A O no hydrogen 3.038 N/A HIS 178.A N TRP 174.A O no hydrogen 2.698 N/A ARG 179.A N GLU 173.A O no hydrogen 3.509 N/A TYR 180.A N TYR 160.A O no hydrogen 3.100 N/A TYR 180.A OH ASP 162.A O no hydrogen 2.586 N/A ARG 183.A NH1 ASP 157.A OD1 no hydrogen 2.737 N/A ARG 183.A NH2 ASP 157.A OD1 no hydrogen 2.770 N/A ALA 185.A N HIS 181.A O no hydrogen 3.197 N/A ALA 186.A N GLY 182.A O no hydrogen 2.973 N/A VAL 187.A N ARG 183.A O no hydrogen 2.911 N/A TRP 188.A N SER 184.A O no hydrogen 3.111 N/A SER 189.A N ALA 185.A O no hydrogen 3.129 N/A SER 189.A OG ALA 186.A O no hydrogen 2.786 N/A LEU 190.A N ALA 186.A O no hydrogen 2.860 N/A GLY 191.A N VAL 187.A O no hydrogen 2.963 N/A ILE 192.A N TRP 188.A O no hydrogen 3.052 N/A LEU 193.A N SER 189.A O no hydrogen 2.979 N/A LEU 194.A N LEU 190.A O no hydrogen 2.778 N/A TYR 195.A N GLY 191.A O no hydrogen 3.045 N/A TYR 195.A OH PHE 216.A O no hydrogen 2.464 N/A ASP 196.A N ILE 192.A O no hydrogen 2.738 N/A MET 197.A N LEU 193.A O no hydrogen 2.906 N/A VAL 198.A N LEU 194.A O no hydrogen 2.978 N/A CYS 199.A N TYR 195.A O no hydrogen 2.807 N/A GLY 200.A N ASP 196.A O no hydrogen 2.685 N/A ILE 202.A N ASP 201.A OD1 no hydrogen 2.905 N/A GLU 205.A N GLU 209.A OE2 no hydrogen 2.701 N/A HIS 206.A N GLU 209.A OE2 no hydrogen 2.769 N/A ILE 210.A N HIS 206.A O no hydrogen 3.209 N/A ILE 211.A N ASP 207.A O no hydrogen 2.948 N/A ARG 212.A N GLU 208.A O no hydrogen 2.773 N/A GLY 213.A N GLU 209.A O no hydrogen 2.782 N/A ARG 218.A NE TYR 195.A OH no hydrogen 3.145 N/A GLN 219.A NE2 ARG 218.A O no hydrogen 3.569 N/A SER 222.A N GLU 103.A OE2 no hydrogen 2.660 N/A SER 222.A OG GLU 103.A OE1 no hydrogen 2.586 N/A SER 222.A OG GLU 103.A OE2 no hydrogen 3.368 N/A CYS 225.A N SER 222.A OG no hydrogen 3.354 N/A GLN 226.A N SER 222.A O no hydrogen 2.960 N/A GLN 226.A NE2 VAL 221.A O no hydrogen 3.290 N/A HIS 227.A N SER 223.A O no hydrogen 2.896 N/A LEU 228.A N GLU 224.A O no hydrogen 2.900 N/A ILE 229.A N CYS 225.A O no hydrogen 2.906 N/A ARG 230.A N GLN 226.A O no hydrogen 2.917 N/A ARG 230.A NH1 GLN 226.A OE1 no hydrogen 2.734 N/A ARG 230.A NH2 VAL 215.A O no hydrogen 2.575 N/A TRP 231.A N HIS 227.A O no hydrogen 2.855 N/A CYS 232.A N LEU 228.A O no hydrogen 2.995 N/A CYS 232.A SG LEU 228.A O no hydrogen 3.414 N/A LEU 233.A N ILE 229.A O no hydrogen 2.921 N/A ALA 234.A N TRP 231.A O no hydrogen 3.127 N/A ASP 239.A N ARG 236.A O no hydrogen 2.870 N/A ARG 240.A N PRO 237.A O no hydrogen 3.012 N/A ARG 240.A NE ALA 234.A O no hydrogen 2.756 N/A ARG 240.A NH1 GLU 173.A OE2 no hydrogen 2.860 N/A ARG 240.A NH1 SER 184.A O no hydrogen 2.890 N/A ARG 240.A NH2 GLU 173.A OE1 no hydrogen 2.932 N/A ARG 240.A NH2 GLU 173.A OE2 no hydrogen 3.557 N/A ARG 240.A NH2 ALA 234.A O no hydrogen 3.070 N/A THR 242.A N GLU 245.A OE1 no hydrogen 2.968 N/A THR 242.A OG1 GLU 245.A OE1 no hydrogen 3.422 N/A GLU 245.A N THR 242.A OG1 no hydrogen 3.068 N/A ILE 246.A N THR 242.A O no hydrogen 2.978 N/A GLN 247.A N PHE 243.A O no hydrogen 2.957 N/A GLN 247.A NE2 GLU 115.A OE2 no hydrogen 2.798 N/A ASN 248.A N GLU 244.A O no hydrogen 2.889 N/A HIS 249.A N ILE 246.A O no hydrogen 3.089 N/A HIS 249.A NE2 GLU 224.A O no hydrogen 3.171 N/A TRP 251.A NE1 GLU 103.A OE1 no hydrogen 2.763 N/A MET 252.A N HIS 249.A O no hydrogen 2.899 N/A GLN 253.A N PRO 250.A O no hydrogen 3.279 N/A GLN 253.A NE2 GLN 247.A O no hydrogen 3.007 N/A GLN 253.A NE2 HIS 249.A O no hydrogen 2.951 N/A LEU 257.A N GLU 260.A OE1 no hydrogen 2.681 N/A GLN 259.A NE2 ASN 140.A O no hydrogen 3.248 N/A GLN 259.A NE2 GLN 259.A O no hydrogen 3.317 N/A THR 261.A N LEU 257.A O no hydrogen 2.947 N/A THR 261.A OG1 SER 108.A OG no hydrogen 2.531 N/A THR 261.A OG1 LEU 257.A O no hydrogen 2.857 N/A ALA 262.A N PRO 258.A O no hydrogen 3.000 N/A GLU 263.A N GLN 259.A O no hydrogen 3.044 N/A ILE 264.A N GLU 260.A O no hydrogen 3.021 N/A HIS 265.A N THR 261.A O no hydrogen 2.917 N/A HIS 265.A NE2 GLU 104.A OE1 no hydrogen 2.770 N/A LEU 266.A N ALA 262.A O no hydrogen 2.797 N/A