Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nbk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 10.A N ASP 8.A OD1 no hydrogen 2.893 N/A GLU 11.A N ASP 8.A O no hydrogen 3.266 N/A LYS 12.A NZ ALA 10.A O no hydrogen 3.224 N/A TYR 13.A N LYS 249.A O no hydrogen 2.927 N/A TYR 13.A OH ASP 169.A OD1 no hydrogen 2.627 N/A TYR 13.A OH THR 247.A OG1 no hydrogen 3.416 N/A HIS 17.A N ASP 88.A OD1 no hydrogen 2.879 N/A HIS 17.A ND1 ASP 88.A OD1 no hydrogen 2.628 N/A ARG 19.A N ASP 86.A O no hydrogen 2.857 N/A ARG 20.A NE LEU 57.A O no hydrogen 2.803 N/A ARG 20.A NH1 LEU 57.A O no hydrogen 3.174 N/A ARG 20.A NH1 PHE 253.A O no hydrogen 2.779 N/A ARG 20.A NH2 ASP 88.A OD2 no hydrogen 3.122 N/A ALA 23.A N GLU 60.A O no hydrogen 2.959 N/A LEU 24.A N VAL 91.A O no hydrogen 2.846 N/A ILE 25.A N LYS 62.A O no hydrogen 2.848 N/A PHE 26.A N VAL 93.A O no hydrogen 2.793 N/A ASN 27.A N PHE 64.A O no hydrogen 2.838 N/A ASN 27.A ND2 ASN 65.A OD1 no hydrogen 3.062 N/A HIS 28.A N LEU 95.A O no hydrogen 2.890 N/A GLU 29.A N ASP 66.A OD1 no hydrogen 2.857 N/A ARG 30.A N ASP 66.A OD1 no hydrogen 3.380 N/A PHE 32.A N TYR 106.A O no hydrogen 2.877 N/A LEU 35.A N PHE 32.A O no hydrogen 2.891 N/A THR 36.A N TRP 33.A O no hydrogen 3.037 N/A ARG 40.A N GLU 29.A O no hydrogen 2.739 N/A ARG 40.A NH1 HIS 28.A O no hydrogen 2.766 N/A ARG 40.A NH1 THR 43.A OG1 no hydrogen 3.017 N/A THR 43.A N ARG 40.A O no hydrogen 3.167 N/A THR 43.A OG1 ASN 27.A OD1 no hydrogen 2.542 N/A CYS 44.A SG GLU 29.A OE1 no hydrogen 3.343 N/A ASP 46.A N GLY 42.A O no hydrogen 3.334 N/A ARG 47.A N THR 43.A O no hydrogen 2.887 N/A ARG 47.A NE ASP 48.A OD1 no hydrogen 2.935 N/A ARG 47.A NH1 ASN 65.A OD1 no hydrogen 2.841 N/A ARG 47.A NH2 ASP 48.A OD1 no hydrogen 3.035 N/A ASP 48.A N CYS 44.A O no hydrogen 3.006 N/A ASN 49.A N ALA 45.A O no hydrogen 2.907 N/A LEU 50.A N ASP 46.A O no hydrogen 2.970 N/A THR 51.A N ARG 47.A O no hydrogen 2.934 N/A THR 51.A OG1 ARG 47.A O no hydrogen 2.755 N/A ARG 52.A N ASP 48.A O no hydrogen 3.085 N/A ARG 53.A N ASN 49.A O no hydrogen 3.119 N/A ARG 53.A NE CYS 197.A O no hydrogen 3.062 N/A PHE 54.A N LEU 50.A O no hydrogen 2.918 N/A SER 55.A N THR 51.A O no hydrogen 2.978 N/A SER 55.A OG THR 51.A O no hydrogen 3.158 N/A SER 55.A OG ARG 52.A O no hydrogen 3.049 N/A ASP 56.A N ARG 52.A O no hydrogen 3.004 N/A LEU 57.A N ARG 53.A O no hydrogen 3.250 N/A LEU 57.A N PHE 54.A O no hydrogen 3.110 N/A GLY 58.A N SER 55.A O no hydrogen 2.920 N/A PHE 59.A N PHE 54.A O no hydrogen 3.059 N/A GLU 60.A N GLY 21.A O no hydrogen 2.891 N/A LYS 62.A N ALA 23.A O no hydrogen 2.913 N/A CYS 63.A SG THR 51.A OG1 no hydrogen 3.298 N/A PHE 64.A N ILE 25.A O no hydrogen 2.845 N/A ASP 66.A N ASN 27.A O no hydrogen 2.764 N/A LYS 68.A N GLU 71.A OE2 no hydrogen 2.960 N/A ALA 69.A N ASP 107.A OD1 no hydrogen 2.768 N/A LEU 72.A N LYS 68.A O no hydrogen 2.905 N/A LEU 73.A N ALA 69.A O no hydrogen 2.959 N/A LEU 74.A N GLU 70.A O no hydrogen 3.018 N/A LYS 75.A N GLU 71.A O no hydrogen 2.955 N/A LYS 75.A NZ GLU 78.A OE2 no hydrogen 3.187 N/A ILE 76.A N LEU 72.A O no hydrogen 2.964 N/A HIS 77.A N LEU 73.A O no hydrogen 2.870 N/A GLU 78.A N LEU 74.A O no hydrogen 2.872 N/A VAL 79.A N LYS 75.A O no hydrogen 3.133 N/A SER 80.A N ILE 76.A O no hydrogen 2.903 N/A SER 80.A OG HIS 77.A O no hydrogen 2.850 N/A THR 81.A N GLU 78.A O no hydrogen 3.389 N/A THR 81.A OG1 HIS 77.A O no hydrogen 3.129 N/A THR 81.A OG1 GLU 78.A O no hydrogen 3.056 N/A HIS 84.A N SER 126.A OG no hydrogen 2.706 N/A HIS 84.A NE2 VAL 79.A O no hydrogen 2.803 N/A ALA 85.A N SER 83.A OG no hydrogen 3.190 N/A ALA 87.A N HIS 84.A O no hydrogen 2.956 N/A ASP 88.A N ARG 19.A O no hydrogen 2.962 N/A CYS 89.A N ARG 20.A O no hydrogen 3.028 N/A CYS 89.A SG ARG 20.A O no hydrogen 3.673 N/A PHE 90.A N PRO 131.A O no hydrogen 3.078 N/A VAL 91.A N ILE 22.A O no hydrogen 3.018 N/A CYS 92.A N ILE 133.A O no hydrogen 2.813 N/A VAL 93.A N LEU 24.A O no hydrogen 2.702 N/A PHE 94.A N ILE 135.A O no hydrogen 2.828 N/A LEU 95.A N PHE 26.A O no hydrogen 2.895 N/A SER 96.A N GLN 137.A O no hydrogen 3.053 N/A SER 96.A OG HIS 97.A O no hydrogen 3.488 N/A SER 96.A OG TYR 104.A O no hydrogen 2.631 N/A HIS 97.A NE2 PRO 38.A O no hydrogen 2.994 N/A GLY 98.A N ALA 139.A O no hydrogen 2.907 N/A GLU 99.A N HIS 102.A O no hydrogen 2.922 N/A GLY 100.A N SER 160.A O no hydrogen 2.874 N/A ASN 101.A ND2 GLU 111.A OE1 no hydrogen 2.776 N/A ASN 101.A ND2 GLN 113.A OE1 no hydrogen 2.917 N/A HIS 102.A N GLU 99.A O no hydrogen 2.818 N/A ILE 103.A N ILE 110.A O no hydrogen 2.896 N/A TYR 104.A N HIS 97.A O no hydrogen 2.949 N/A ALA 105.A N ALA 108.A O no hydrogen 2.822 N/A TYR 106.A N LEU 67.A O no hydrogen 2.915 N/A ILE 110.A N ILE 103.A O no hydrogen 2.815 N/A ILE 112.A N ASN 101.A O no hydrogen 2.808 N/A GLN 113.A N GLN 113.A OE1 no hydrogen 2.803 N/A THR 114.A N GLU 111.A O no hydrogen 3.000 N/A LEU 115.A N GLU 111.A O no hydrogen 3.418 N/A THR 116.A N ILE 112.A O no hydrogen 2.977 N/A THR 116.A OG1 ILE 112.A O no hydrogen 3.482 N/A THR 116.A OG1 GLN 113.A O no hydrogen 3.475 N/A GLY 117.A N GLN 113.A O no hydrogen 2.950 N/A LEU 118.A N LEU 115.A O no hydrogen 3.295 N/A PHE 119.A N THR 116.A O no hydrogen 3.022 N/A LYS 120.A N GLY 117.A O no hydrogen 3.376 N/A LYS 123.A N LYS 120.A O no hydrogen 2.862 N/A CYS 124.A N GLY 121.A O no hydrogen 3.052 N/A CYS 124.A SG SER 80.A O no hydrogen 3.450 N/A HIS 125.A ND1 ASP 122.A OD1 no hydrogen 3.277 N/A LEU 127.A N CYS 124.A O no hydrogen 3.066 N/A VAL 128.A N HIS 125.A O no hydrogen 3.032 N/A LYS 130.A N LEU 127.A O no hydrogen 2.938 N/A LYS 130.A NZ HIS 84.A O no hydrogen 2.894 N/A LYS 130.A NZ ALA 85.A O no hydrogen 3.436 N/A LYS 130.A NZ ALA 87.A O no hydrogen 2.848 N/A LYS 130.A NZ SER 126.A O no hydrogen 3.089 N/A LYS 132.A N ASP 169.A O no hydrogen 2.847 N/A LYS 132.A NZ LEU 127.A O no hydrogen 2.772 N/A LYS 132.A NZ LYS 130.A O no hydrogen 2.837 N/A ILE 133.A N PHE 90.A O no hydrogen 2.827 N/A PHE 134.A N LEU 171.A O no hydrogen 2.947 N/A ILE 135.A N CYS 92.A O no hydrogen 2.871 N/A ILE 136.A N CYS 173.A O no hydrogen 2.784 N/A GLN 137.A N PHE 94.A O no hydrogen 2.870 N/A GLN 137.A NE2 SER 182.A OG no hydrogen 2.773 N/A ARG 140.A N ALA 158.A O no hydrogen 2.960 N/A ARG 140.A NE GLU 99.A OE1 no hydrogen 3.032 N/A ARG 140.A NH2 GLU 99.A OE1 no hydrogen 3.397 N/A ARG 140.A NH2 GLU 99.A OE2 no hydrogen 2.913 N/A ASN 142.A ND2 VAL 156.A O no hydrogen 3.184 N/A GLN 143.A NE2 THR 36.A O no hydrogen 2.803 N/A ASN 152.A ND2 GLU 185.A OE1 no hydrogen 2.765 N/A ILE 153.A N THR 186.A OG1 no hydrogen 2.848 N/A GLU 155.A N ARG 184.A O no hydrogen 2.804 N/A ASP 157.A N SER 182.A O no hydrogen 2.842 N/A ALA 159.A N TYR 180.A O no hydrogen 2.924 N/A SER 160.A OG GLY 98.A O no hydrogen 2.686 N/A TYR 162.A N GLY 100.A O no hydrogen 2.895 N/A LEU 164.A N TYR 162.A O no hydrogen 2.827 N/A ASP 169.A N MET 245.A O no hydrogen 2.835 N/A PHE 170.A N GLY 167.A O no hydrogen 3.127 N/A LEU 171.A N LYS 132.A O no hydrogen 2.933 N/A MET 172.A N ALA 243.A O no hydrogen 2.979 N/A CYS 173.A N PHE 134.A O no hydrogen 2.759 N/A CYS 173.A SG PHE 134.A O no hydrogen 3.656 N/A CYS 173.A SG LEU 171.A O no hydrogen 4.001 N/A TYR 174.A N CYS 241.A O no hydrogen 2.844 N/A TYR 174.A OH LEU 164.A O no hydrogen 2.622 N/A SER 175.A N ILE 136.A O no hydrogen 3.110 N/A ALA 177.A N VAL 239.A O no hydrogen 2.800 N/A TYR 180.A N ALA 177.A O no hydrogen 3.135 N/A TYR 181.A N LYS 237.A O no hydrogen 2.998 N/A SER 182.A N ASP 157.A O no hydrogen 2.706 N/A HIS 183.A N GLN 238.A OE1 no hydrogen 2.909 N/A HIS 183.A ND1 GLN 238.A OE1 no hydrogen 2.954 N/A ARG 184.A N GLU 155.A O no hydrogen 2.916 N/A ARG 184.A NH1 GLU 155.A OE2 no hydrogen 3.371 N/A ARG 184.A NH2 ARG 41.A O no hydrogen 2.895 N/A ARG 184.A NH2 GLU 155.A OE2 no hydrogen 3.119 N/A GLU 185.A N GLY 189.A O no hydrogen 2.844 N/A THR 186.A N ILE 153.A O no hydrogen 2.842 N/A THR 186.A OG1 THR 151.A O no hydrogen 2.980 N/A THR 186.A OG1 ILE 153.A O no hydrogen 3.475 N/A VAL 187.A N ASN 152.A OD1 no hydrogen 2.950 N/A ASN 188.A N ASN 152.A OD1 no hydrogen 3.337 N/A ASN 188.A ND2 GLU 185.A OE1 no hydrogen 2.749 N/A GLY 189.A N GLU 185.A O no hydrogen 2.809 N/A SER 190.A N ASP 46.A OD1 no hydrogen 2.876 N/A SER 190.A N ASP 46.A OD2 no hydrogen 3.094 N/A SER 190.A OG ASP 46.A OD2 no hydrogen 2.508 N/A TRP 191.A N HIS 183.A O no hydrogen 2.995 N/A GLN 194.A N SER 190.A O no hydrogen 2.836 N/A GLN 194.A NE2 GLU 185.A OE2 no hydrogen 3.184 N/A GLN 194.A NE2 GLY 189.A O no hydrogen 2.935 N/A GLN 194.A NE2 SER 190.A O no hydrogen 3.640 N/A ASP 195.A N TRP 191.A O no hydrogen 2.976 N/A LEU 196.A N TYR 192.A O no hydrogen 2.839 N/A CYS 197.A N ILE 193.A O no hydrogen 2.881 N/A CYS 197.A SG ILE 193.A O no hydrogen 3.356 N/A GLU 198.A N GLN 194.A O no hydrogen 2.963 N/A MET 199.A N ASP 195.A O no hydrogen 3.081 N/A LEU 200.A N LEU 196.A O no hydrogen 2.884 N/A GLY 201.A N CYS 197.A O no hydrogen 3.034 N/A LYS 202.A N GLU 198.A O no hydrogen 3.039 N/A LYS 202.A NZ GLU 198.A OE2 no hydrogen 2.753 N/A TYR 203.A N MET 199.A O no hydrogen 2.769 N/A GLY 204.A N LEU 200.A O no hydrogen 2.786 N/A SER 206.A N TYR 203.A O no hydrogen 3.055 N/A SER 206.A OG TYR 203.A O no hydrogen 3.529 N/A LEU 207.A N TYR 203.A O no hydrogen 2.844 N/A PHE 209.A N LEU 250.A O no hydrogen 2.815 N/A THR 210.A N GLU 208.A OE1 no hydrogen 2.803 N/A THR 210.A OG1 GLU 208.A OE1 no hydrogen 2.561 N/A GLU 211.A N GLU 208.A OE1 no hydrogen 3.228 N/A LEU 212.A N GLU 208.A O no hydrogen 2.941 N/A LEU 213.A N PHE 209.A O no hydrogen 2.898 N/A THR 214.A N THR 210.A O no hydrogen 2.978 N/A THR 214.A OG1 THR 210.A O no hydrogen 2.808 N/A LEU 215.A N GLU 211.A O no hydrogen 3.090 N/A VAL 216.A N LEU 212.A O no hydrogen 3.043 N/A ASN 217.A N LEU 213.A O no hydrogen 2.901 N/A ARG 218.A N THR 214.A O no hydrogen 3.062 N/A LYS 219.A N LEU 215.A O no hydrogen 2.908 N/A VAL 220.A N VAL 216.A O no hydrogen 2.908 N/A SER 221.A N ASN 217.A O no hydrogen 3.002 N/A SER 221.A OG ASN 217.A O no hydrogen 2.790 N/A SER 221.A OG ARG 218.A O no hydrogen 3.265 N/A GLN 222.A N ARG 218.A O no hydrogen 3.119 N/A ARG 223.A N VAL 220.A O no hydrogen 3.023 N/A ARG 223.A NE ASP 195.A OD1 no hydrogen 3.316 N/A ARG 223.A NE ASP 195.A OD2 no hydrogen 2.706 N/A ARG 223.A NH2 ASP 195.A OD1 no hydrogen 2.719 N/A ASP 230.A N ASP 226.A O no hydrogen 3.275 N/A ALA 233.A N ASP 230.A O no hydrogen 3.081 N/A ILE 234.A N PRO 231.A O no hydrogen 3.087 N/A LYS 236.A N ALA 233.A O no hydrogen 3.249 N/A LYS 236.A NZ SER 232.A O no hydrogen 3.014 N/A GLN 238.A NE2 SER 175.A O no hydrogen 2.848 N/A CYS 241.A N TYR 174.A O no hydrogen 3.136 N/A ALA 243.A N MET 172.A O no hydrogen 2.767 N/A MET 245.A N PHE 170.A O no hydrogen 2.924 N/A LEU 246.A N SER 244.A OG no hydrogen 3.096 N/A THR 247.A N TYR 13.A OH no hydrogen 2.916 N/A THR 247.A OG1 TYR 13.A OH no hydrogen 3.416 N/A THR 247.A OG1 ASP 169.A OD1 no hydrogen 2.744 N/A LYS 249.A N GLU 11.A O no hydrogen 3.021 N/A LEU 250.A N GLU 208.A OE2 no hydrogen 2.770 N/A HIS 251.A ND1 SER 206.A O no hydrogen 3.018 N/A LYS 255.A NZ MET 15.A O no hydrogen 3.016 N/A LYS 255.A NZ HIS 17.A O no hydrogen 2.894 N/A LYS 255.A NZ ASP 88.A OD1 no hydrogen 3.487 N/A LYS 255.A NZ ASP 88.A OD2 no hydrogen 2.639 N/A