Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2gu6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N GLY 195.A O no hydrogen 2.856 N/A LYS 3.A NZ SER 1.A OG no hydrogen 3.194 N/A LYS 3.A NZ ILE 170.A O no hydrogen 3.356 N/A LYS 3.A NZ GLU 176.A OE1 no hydrogen 2.737 N/A THR 4.A N ASP 7.A OD2 no hydrogen 2.812 N/A THR 4.A OG1 GLU 6.A OE1 no hydrogen 3.443 N/A ASP 7.A N THR 4.A OG1 no hydrogen 3.171 N/A ILE 8.A N THR 4.A O no hydrogen 2.904 N/A GLU 9.A N PRO 5.A O no hydrogen 3.059 N/A LYS 10.A N GLU 6.A O no hydrogen 3.310 N/A LYS 10.A NZ ASP 100.A OD2 no hydrogen 2.756 N/A MET 11.A N ASP 7.A O no hydrogen 2.998 N/A ARG 12.A N ILE 8.A O no hydrogen 2.889 N/A ARG 12.A N GLU 9.A O no hydrogen 3.117 N/A ARG 12.A NE GLU 243.A OE2 no hydrogen 2.768 N/A ARG 12.A NH1 GLU 9.A OE1 no hydrogen 3.053 N/A ARG 12.A NH2 GLU 243.A OE1 no hydrogen 2.998 N/A VAL 13.A N GLU 9.A O no hydrogen 3.222 N/A ALA 14.A N LYS 10.A O no hydrogen 3.072 N/A GLY 15.A N MET 11.A O no hydrogen 2.825 N/A ARG 16.A N ARG 12.A O no hydrogen 2.936 N/A LEU 17.A N VAL 13.A O no hydrogen 3.023 N/A ALA 18.A N ALA 14.A O no hydrogen 3.037 N/A ALA 19.A N GLY 15.A O no hydrogen 3.005 N/A GLU 20.A N ARG 16.A O no hydrogen 2.937 N/A VAL 21.A N LEU 17.A O no hydrogen 3.121 N/A VAL 21.A N ALA 18.A O no hydrogen 3.211 N/A LEU 22.A N ALA 18.A O no hydrogen 3.457 N/A GLU 23.A N ALA 19.A O no hydrogen 2.992 N/A MET 24.A N GLU 20.A O no hydrogen 2.853 N/A ILE 25.A N VAL 21.A O no hydrogen 2.922 N/A GLU 26.A N LEU 22.A O no hydrogen 3.354 N/A TYR 28.A N ILE 25.A O no hydrogen 2.809 N/A VAL 29.A N GLU 26.A O no hydrogen 3.174 N/A LYS 30.A N TYR 28.A O no hydrogen 2.845 N/A GLY 32.A N LEU 85.A O no hydrogen 2.801 N/A VAL 33.A N LYS 30.A O no hydrogen 3.193 N/A THR 35.A N LYS 83.A O no hydrogen 2.965 N/A THR 35.A OG1 ASP 80.A O no hydrogen 3.067 N/A GLY 36.A N ASP 80.A O no hydrogen 3.064 N/A GLU 37.A N SER 34.A OG no hydrogen 2.926 N/A LEU 38.A N SER 34.A O no hydrogen 3.145 N/A ASP 39.A N THR 35.A O no hydrogen 2.923 N/A ARG 40.A N GLY 36.A O no hydrogen 3.107 N/A ARG 40.A NE GLU 37.A OE1 no hydrogen 3.133 N/A ARG 40.A NH1 ASP 81.A OD1 no hydrogen 2.649 N/A ARG 40.A NH1 ASP 81.A OD2 no hydrogen 3.490 N/A ARG 40.A NH2 GLU 37.A OE1 no hydrogen 2.817 N/A ARG 40.A NH2 ASP 81.A OD1 no hydrogen 2.832 N/A ILE 41.A N GLU 37.A O no hydrogen 2.912 N/A CYS 42.A N LEU 38.A O no hydrogen 2.999 N/A CYS 42.A SG LEU 38.A O no hydrogen 3.387 N/A ASN 43.A N ASP 39.A O no hydrogen 2.922 N/A ASP 44.A N ARG 40.A O no hydrogen 2.818 N/A TYR 45.A N ILE 41.A O no hydrogen 3.064 N/A ILE 46.A N CYS 42.A O no hydrogen 2.927 N/A VAL 47.A N ASN 43.A O no hydrogen 2.919 N/A ASN 48.A N ASP 44.A O no hydrogen 2.824 N/A GLU 49.A N TYR 45.A O no hydrogen 3.082 N/A GLN 50.A N TYR 45.A O no hydrogen 2.933 N/A GLN 50.A NE2 LEU 17.A O no hydrogen 2.886 N/A ALA 52.A N ILE 46.A O no hydrogen 2.889 N/A VAL 53.A N ILE 98.A O no hydrogen 3.277 N/A SER 54.A OG SER 65.A O no hydrogen 2.557 N/A ALA 55.A N THR 96.A O no hydrogen 2.954 N/A CYS 56.A N SER 54.A OG no hydrogen 3.022 N/A CYS 56.A SG SER 65.A O no hydrogen 3.548 N/A GLY 58.A N TYR 62.A O no hydrogen 2.792 N/A TYR 59.A N CYS 56.A O no hydrogen 2.974 N/A GLY 61.A N GLY 58.A O no hydrogen 2.947 N/A TYR 62.A N TYR 59.A O no hydrogen 2.887 N/A TYR 62.A OH VAL 66.A O no hydrogen 2.835 N/A TYR 62.A OH GLY 77.A O no hydrogen 3.178 N/A SER 65.A N ASP 39.A OD1 no hydrogen 2.903 N/A VAL 66.A N ASP 39.A OD1 no hydrogen 3.016 N/A CYS 67.A N ASP 94.A O no hydrogen 3.105 N/A CYS 67.A SG TYR 62.A OH no hydrogen 3.509 N/A ILE 68.A N GLY 77.A O no hydrogen 2.918 N/A SER 69.A N ASN 92.A O no hydrogen 2.893 N/A ASN 71.A N ILE 90.A O no hydrogen 2.935 N/A ASN 71.A ND2 ASP 89.A OD1 no hydrogen 3.068 N/A GLU 72.A N GLU 72.A OE1 no hydrogen 2.676 N/A VAL 73.A N ILE 70.A O no hydrogen 2.927 N/A VAL 74.A N VAL 220.A O no hydrogen 2.661 N/A GLY 77.A N SER 69.A OG no hydrogen 3.154 N/A ASP 80.A N THR 35.A OG1 no hydrogen 2.805 N/A ALA 82.A N ASP 80.A OD1 no hydrogen 3.295 N/A LYS 83.A N ASP 80.A O no hydrogen 3.107 N/A LEU 85.A N VAL 33.A O no hydrogen 2.895 N/A LYS 86.A N ASP 89.A OD2 no hydrogen 2.848 N/A LYS 86.A NZ ASP 89.A OD1 no hydrogen 2.773 N/A GLY 88.A N VAL 112.A O no hydrogen 2.786 N/A ASP 89.A N LYS 86.A O no hydrogen 3.154 N/A ILE 90.A N ASN 71.A OD1 no hydrogen 2.966 N/A VAL 91.A N PHE 110.A O no hydrogen 2.717 N/A ASN 92.A N SER 69.A O no hydrogen 2.786 N/A ASN 92.A ND2 SER 107.A OG no hydrogen 3.032 N/A ASN 92.A ND2 GLN 230.A O no hydrogen 2.805 N/A ILE 93.A N LYS 108.A O no hydrogen 3.259 N/A ASP 94.A N CYS 67.A O no hydrogen 2.771 N/A VAL 95.A N THR 106.A O no hydrogen 2.794 N/A THR 96.A OG1 ASP 105.A OD1 no hydrogen 2.879 N/A VAL 97.A N GLY 104.A O no hydrogen 2.941 N/A ILE 98.A N VAL 53.A O no hydrogen 2.842 N/A LYS 99.A N PHE 102.A O no hydrogen 2.914 N/A LYS 99.A NZ GLN 50.A O no hydrogen 3.552 N/A LYS 99.A NZ HIS 51.A O no hydrogen 3.010 N/A PHE 102.A N LYS 99.A O no hydrogen 3.119 N/A HIS 103.A N GLY 171.A O no hydrogen 2.972 N/A HIS 103.A ND1 GLY 171.A O no hydrogen 2.777 N/A GLY 104.A N VAL 97.A O no hydrogen 2.920 N/A ASP 105.A N THR 234.A OG1 no hydrogen 3.087 N/A THR 106.A N VAL 95.A O no hydrogen 2.915 N/A THR 106.A OG1 GLU 232.A O no hydrogen 2.699 N/A SER 107.A N GLU 232.A O no hydrogen 3.218 N/A LYS 108.A N ILE 93.A O no hydrogen 3.431 N/A LYS 108.A NZ GLU 26.A OE1 no hydrogen 3.446 N/A LYS 108.A NZ MET 109.A O no hydrogen 2.780 N/A PHE 110.A N VAL 91.A O no hydrogen 2.719 N/A VAL 112.A N ASP 89.A O no hydrogen 2.838 N/A LYS 114.A N ASP 87.A OD2 no hydrogen 2.815 N/A GLY 119.A N THR 116.A OG1 no hydrogen 3.035 N/A GLU 120.A N THR 116.A O no hydrogen 2.939 N/A ARG 121.A N ILE 117.A O no hydrogen 2.992 N/A ARG 121.A NH2 GLU 157.A O no hydrogen 2.895 N/A ARG 121.A NH2 GLU 157.A OE1 no hydrogen 3.050 N/A LEU 122.A N MET 118.A O no hydrogen 2.818 N/A CYS 123.A N GLY 119.A O no hydrogen 3.148 N/A CYS 123.A SG GLY 119.A O no hydrogen 3.398 N/A ARG 124.A N GLU 120.A O no hydrogen 2.935 N/A ILE 125.A N ARG 121.A O no hydrogen 2.912 N/A THR 126.A N LEU 122.A O no hydrogen 2.988 N/A THR 126.A OG1 LEU 122.A O no hydrogen 2.719 N/A GLN 127.A N CYS 123.A O no hydrogen 3.010 N/A GLU 128.A N ARG 124.A O no hydrogen 3.041 N/A SER 129.A N ILE 125.A O no hydrogen 2.902 N/A SER 129.A OG THR 126.A O no hydrogen 2.643 N/A LEU 130.A N THR 126.A O no hydrogen 3.215 N/A TYR 131.A N GLN 127.A O no hydrogen 2.902 N/A TYR 131.A OH ASP 251.A OD1 no hydrogen 2.588 N/A LEU 132.A N GLU 128.A O no hydrogen 2.826 N/A ALA 133.A N SER 129.A O no hydrogen 3.250 N/A LEU 134.A N LEU 130.A O no hydrogen 2.885 N/A ARG 135.A N TYR 131.A O no hydrogen 2.897 N/A MET 136.A N ALA 133.A O no hydrogen 3.008 N/A VAL 137.A N ALA 133.A O no hydrogen 3.314 N/A VAL 137.A N LEU 134.A O no hydrogen 3.377 N/A GLY 140.A N LEU 192.A O no hydrogen 3.068 N/A ILE 141.A N LYS 138.A O no hydrogen 3.244 N/A ASN 142.A N GLU 145.A OE1 no hydrogen 2.831 N/A ASN 142.A ND2 ASN 189.A OD1 no hydrogen 2.908 N/A LEU 143.A N VAL 190.A O no hydrogen 2.877 N/A ARG 144.A N ASN 142.A OD1 no hydrogen 2.915 N/A ARG 144.A NE ASP 184.A OD1 no hydrogen 2.739 N/A ARG 144.A NH2 ASP 184.A OD1 no hydrogen 3.268 N/A GLU 145.A N ASN 142.A O no hydrogen 2.916 N/A ILE 146.A N ASN 142.A O no hydrogen 3.298 N/A GLY 147.A N LEU 143.A O no hydrogen 2.918 N/A ALA 148.A N ARG 144.A O no hydrogen 2.881 N/A ALA 149.A N GLU 145.A O no hydrogen 2.935 N/A ILE 150.A N ILE 146.A O no hydrogen 3.041 N/A GLN 151.A N GLY 147.A O no hydrogen 3.082 N/A GLN 151.A NE2 GLU 155.A OE2 no hydrogen 2.993 N/A LYS 152.A N ALA 148.A O no hydrogen 2.928 N/A PHE 153.A N ALA 149.A O no hydrogen 3.085 N/A VAL 154.A N ILE 150.A O no hydrogen 2.910 N/A GLU 155.A N GLN 151.A O no hydrogen 2.918 N/A ALA 156.A N LYS 152.A O no hydrogen 2.911 N/A GLU 157.A N PHE 153.A O no hydrogen 2.979 N/A GLU 157.A N VAL 154.A O no hydrogen 3.195 N/A GLY 158.A N GLU 155.A O no hydrogen 3.084 N/A PHE 159.A N VAL 154.A O no hydrogen 3.039 N/A SER 160.A N ASN 205.A O no hydrogen 3.036 N/A SER 160.A OG ASN 205.A O no hydrogen 3.416 N/A SER 160.A OG GLY 207.A O no hydrogen 2.767 N/A VAL 162.A N MET 203.A O no hydrogen 2.998 N/A ARG 163.A NH1 VAL 161.A O no hydrogen 2.597 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.573 N/A CYS 166.A SG GLY 167.A O no hydrogen 3.289 N/A CYS 166.A SG GLN 179.A OE1 no hydrogen 4.032 N/A GLY 167.A N VAL 180.A O no hydrogen 2.745 N/A HIS 168.A N THR 199.A OG1 no hydrogen 3.093 N/A HIS 168.A ND1 GLY 169.A O no hydrogen 2.951 N/A HIS 168.A NE2 ASP 105.A OD2 no hydrogen 3.138 N/A GLY 169.A N GLU 176.A O no hydrogen 2.803 N/A GLY 169.A N PRO 178.A O no hydrogen 3.054 N/A ILE 170.A N THR 197.A O no hydrogen 3.051 N/A GLY 171.A N GLY 173.A O no hydrogen 3.018 N/A GLY 173.A N GLU 176.A OE2 no hydrogen 2.905 N/A GLU 176.A N GLY 169.A O no hydrogen 2.847 N/A VAL 180.A N GLY 167.A O no hydrogen 3.063 N/A ASP 184.A N GLN 151.A OE1 no hydrogen 2.928 N/A GLU 187.A N SER 185.A OG no hydrogen 3.126 N/A THR 188.A N SER 185.A O no hydrogen 3.079 N/A VAL 190.A N ASN 142.A OD1 no hydrogen 3.138 N/A LEU 192.A N ILE 141.A O no hydrogen 2.868 N/A LYS 193.A NZ VAL 191.A O no hydrogen 2.721 N/A GLY 195.A N VAL 237.A O no hydrogen 2.846 N/A MET 196.A N LYS 193.A O no hydrogen 3.285 N/A THR 197.A OG1 ILE 170.A O no hydrogen 2.554 N/A PHE 198.A N ILE 235.A O no hydrogen 3.063 N/A THR 199.A N HIS 168.A O no hydrogen 2.776 N/A THR 199.A OG1 GLU 201.A OE2 no hydrogen 3.085 N/A THR 199.A OG1 GLU 232.A OE2 no hydrogen 3.467 N/A ILE 200.A N HIS 233.A O no hydrogen 3.151 N/A GLU 201.A N HIS 182.A NE2 no hydrogen 2.934 N/A VAL 204.A N ALA 229.A O no hydrogen 2.786 N/A ASN 205.A N SER 160.A O no hydrogen 2.873 N/A ASN 205.A ND2 LYS 208.A O no hydrogen 2.883 N/A ALA 206.A N LEU 227.A O no hydrogen 2.812 N/A GLY 207.A N SER 226.A OG no hydrogen 3.009 N/A LYS 208.A N ASP 224.A OD2 no hydrogen 2.783 N/A LYS 209.A NZ GLU 210.A OE2 no hydrogen 2.924 N/A ARG 212.A N LYS 221.A O no hydrogen 2.764 N/A MET 214.A N THR 219.A O no hydrogen 2.773 N/A GLY 217.A N MET 214.A O no hydrogen 3.168 N/A TRP 218.A N ASP 216.A OD1 no hydrogen 2.854 N/A THR 219.A N ASP 216.A OD1 no hydrogen 2.866 N/A THR 219.A OG1 ASP 216.A OD1 no hydrogen 3.497 N/A THR 219.A OG1 ASP 216.A OD2 no hydrogen 2.865 N/A VAL 220.A N CYS 75.A O no hydrogen 3.298 N/A LYS 221.A N ARG 212.A O no hydrogen 2.797 N/A THR 222.A N GLU 72.A O no hydrogen 2.998 N/A THR 222.A OG1 SER 226.A O no hydrogen 2.675 N/A LYS 223.A N GLU 210.A O no hydrogen 2.843 N/A ARG 225.A N THR 222.A O no hydrogen 3.023 N/A SER 226.A N ASP 224.A OD1 no hydrogen 2.935 N/A SER 226.A OG ASP 224.A OD1 no hydrogen 2.686 N/A SER 228.A N ASN 71.A O no hydrogen 3.117 N/A SER 228.A OG VAL 204.A O no hydrogen 3.397 N/A SER 228.A OG ASN 205.A OD1 no hydrogen 2.702 N/A ALA 229.A N VAL 204.A O no hydrogen 2.788 N/A GLN 230.A NE2 GLU 201.A O no hydrogen 2.958 N/A GLU 232.A N SER 107.A O no hydrogen 3.047 N/A HIS 233.A N ILE 200.A O no hydrogen 3.163 N/A HIS 233.A ND1 THR 246.A OG1 no hydrogen 2.643 N/A HIS 233.A NE2 ASP 251.A OD1 no hydrogen 2.959 N/A THR 234.A N THR 246.A OG1 no hydrogen 3.033 N/A THR 234.A OG1 ASP 105.A O no hydrogen 2.618 N/A ILE 235.A N PHE 198.A O no hydrogen 2.913 N/A VAL 236.A N GLU 243.A O no hydrogen 3.019 N/A VAL 237.A N MET 196.A O no hydrogen 2.797 N/A THR 238.A N GLY 241.A O no hydrogen 2.885 N/A CYS 242.A N ILE 257.A O no hydrogen 3.057 N/A CYS 242.A SG LEU 134.A O no hydrogen 3.494 N/A GLU 243.A N VAL 236.A O no hydrogen 2.937 N/A ILE 244.A N ALA 255.A O no hydrogen 2.679 N/A LEU 245.A N THR 234.A O no hydrogen 2.805 N/A THR 246.A OG1 HIS 233.A ND1 no hydrogen 2.643 N/A ARG 248.A N ASP 251.A OD2 no hydrogen 2.811 N/A ARG 248.A NE ASP 250.A OD1 no hydrogen 2.871 N/A ARG 248.A NH2 ASP 250.A OD2 no hydrogen 2.950 N/A LYS 249.A N GLU 23.A OE2 no hydrogen 2.885 N/A ASP 251.A N ARG 248.A O no hydrogen 3.058 N/A THR 252.A N TYR 131.A OH no hydrogen 3.050 N/A ILE 257.A N CYS 242.A O no hydrogen 2.921 N/A SER 258.A OG ASN 240.A OD1 no hydrogen 2.881 N/A HIS 259.A N ASN 240.A O no hydrogen 2.829 N/A HIS 259.A NE2 ARG 135.A O no hydrogen 2.714 N/A ASP 260.A N SER 258.A OG no hydrogen 3.415 N/A