Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3juk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A NZ LEU 110.A O no hydrogen 2.999 N/A LYS 4.A NZ ILE 111.A O no hydrogen 3.117 N/A CYS 5.A N VAL 50.A O no hydrogen 2.993 N/A LEU 6.A N ALA 117.A O no hydrogen 2.685 N/A PHE 7.A N ALA 52.A O no hydrogen 2.691 N/A ALA 9.A N VAL 54.A O no hydrogen 2.986 N/A ARG 15.A NE GLY 248.A O no hydrogen 2.506 N/A PHE 16.A N GLY 13.A O no hydrogen 2.850 N/A LEU 17.A N THR 14.A O no hydrogen 3.178 N/A THR 20.A N PHE 16.A O no hydrogen 3.360 N/A THR 20.A OG1 GLY 13.A O no hydrogen 2.855 N/A LYS 21.A N PRO 18.A O no hydrogen 2.965 N/A THR 22.A N ILE 19.A O no hydrogen 3.116 N/A ILE 23.A N ILE 19.A O no hydrogen 3.077 N/A LYS 25.A NZ ASP 122.A OD1 no hydrogen 3.233 N/A MET 27.A N PRO 24.A O no hydrogen 2.827 N/A LEU 28.A N LYS 25.A O no hydrogen 3.319 N/A ILE 30.A N LYS 33.A O no hydrogen 2.802 N/A LYS 33.A NZ GLU 41.A OE1 no hydrogen 2.626 N/A LYS 33.A NZ GLU 41.A OE2 no hydrogen 2.911 N/A LEU 35.A N LEU 28.A O no hydrogen 2.906 N/A ILE 36.A N GLU 26.A O no hydrogen 2.819 N/A GLN 37.A N PRO 34.A O no hydrogen 3.079 N/A ALA 39.A N LEU 35.A O no hydrogen 3.406 N/A VAL 40.A N ILE 36.A O no hydrogen 2.885 N/A GLU 41.A N GLN 37.A O no hydrogen 2.889 N/A GLU 42.A N TYR 38.A O no hydrogen 3.000 N/A ALA 43.A N ALA 39.A O no hydrogen 2.821 N/A MET 44.A N VAL 40.A O no hydrogen 2.896 N/A GLU 45.A N GLU 41.A O no hydrogen 3.077 N/A ALA 46.A N GLU 42.A O no hydrogen 3.092 N/A GLY 47.A N MET 44.A O no hydrogen 2.827 N/A CYS 48.A N ALA 43.A O no hydrogen 3.048 N/A CYS 48.A SG ILE 2.A O no hydrogen 3.862 N/A GLU 49.A N LYS 3.A O no hydrogen 2.652 N/A VAL 50.A N LYS 3.A O no hydrogen 3.024 N/A MET 51.A N CYS 88.A O no hydrogen 2.854 N/A ALA 52.A N CYS 5.A O no hydrogen 3.000 N/A ILE 53.A N SER 90.A O no hydrogen 2.790 N/A VAL 54.A N PHE 7.A O no hydrogen 3.171 N/A THR 55.A N VAL 92.A O no hydrogen 2.748 N/A THR 55.A OG1 VAL 92.A O no hydrogen 3.112 N/A ASN 58.A ND2 LYS 21.A O no hydrogen 3.295 N/A LYS 59.A NZ GLY 56.A O no hydrogen 3.141 N/A GLU 63.A N LYS 59.A O no hydrogen 2.802 N/A ASP 64.A N ARG 60.A O no hydrogen 2.912 N/A TYR 65.A N SER 61.A O no hydrogen 3.067 N/A PHE 66.A N LEU 62.A O no hydrogen 3.435 N/A ASP 67.A N ASP 64.A O no hydrogen 3.160 N/A THR 68.A N ASP 67.A OD2 no hydrogen 2.743 N/A THR 68.A OG1 ASP 67.A OD2 no hydrogen 3.560 N/A LEU 77.A N GLU 74.A O no hydrogen 2.448 N/A LYS 78.A N GLU 74.A O no hydrogen 3.015 N/A SER 79.A OG GLU 41.A OE2 no hydrogen 2.555 N/A ARG 81.A N LEU 77.A O no hydrogen 3.145 N/A ASN 82.A N LYS 78.A O no hydrogen 2.934 N/A ILE 83.A N SER 79.A O no hydrogen 2.885 N/A ILE 84.A N ILE 80.A O no hydrogen 2.865 N/A GLU 85.A N ARG 81.A O no hydrogen 2.944 N/A LYS 86.A N ASN 82.A O no hydrogen 2.908 N/A CYS 87.A N ILE 83.A O no hydrogen 2.916 N/A CYS 88.A N GLU 49.A O no hydrogen 3.111 N/A SER 90.A N MET 51.A O no hydrogen 3.092 N/A VAL 92.A N ILE 53.A O no hydrogen 3.159 N/A GLN 94.A N THR 55.A O no hydrogen 2.806 N/A LYS 98.A N GLN 94.A OE1 no hydrogen 3.268 N/A GLY 101.A N ILE 220.A O no hydrogen 2.724 N/A HIS 102.A ND1 GLN 94.A OE1 no hydrogen 2.958 N/A ALA 103.A N GLY 99.A O no hydrogen 2.802 N/A ILE 104.A N LEU 100.A O no hydrogen 2.949 N/A LEU 105.A N GLY 101.A O no hydrogen 2.984 N/A THR 106.A N HIS 102.A O no hydrogen 2.813 N/A THR 106.A OG1 HIS 102.A O no hydrogen 2.652 N/A GLY 107.A N ALA 103.A O no hydrogen 2.986 N/A GLU 108.A N LEU 105.A O no hydrogen 3.045 N/A LEU 110.A N GLY 107.A O no hydrogen 3.083 N/A ILE 111.A N GLU 108.A O no hydrogen 3.017 N/A GLY 112.A N GLU 108.A O no hydrogen 3.110 N/A GLU 114.A N GLY 112.A O no hydrogen 2.931 N/A PHE 116.A N LEU 201.A O no hydrogen 2.997 N/A ALA 117.A N LYS 4.A O no hydrogen 2.999 N/A VAL 118.A N TYR 199.A O no hydrogen 2.800 N/A ILE 119.A N LEU 6.A O no hydrogen 3.070 N/A LEU 120.A N GLY 197.A O no hydrogen 3.011 N/A ASP 123.A N LEU 120.A O no hydrogen 2.970 N/A LEU 124.A N TYR 245.A O no hydrogen 3.143 N/A CYS 125.A SG ASP 123.A O no hydrogen 3.995 N/A ILE 126.A N LYS 243.A O no hydrogen 2.862 N/A SER 127.A OG PRO 131.A O no hydrogen 3.533 N/A ASP 129.A N SER 127.A O no hydrogen 2.827 N/A HIS 130.A N SER 127.A O no hydrogen 2.965 N/A SER 132.A N GLU 45.A OE2 no hydrogen 2.639 N/A SER 132.A OG GLU 42.A O no hydrogen 3.345 N/A SER 132.A OG GLU 45.A OE2 no hydrogen 3.557 N/A LEU 134.A N GLU 42.A OE2 no hydrogen 2.818 N/A GLN 136.A N SER 132.A O no hydrogen 2.930 N/A GLN 136.A NE2 PRO 131.A O no hydrogen 2.903 N/A GLN 136.A NE2 LYS 241.A O no hydrogen 2.829 N/A MET 137.A N VAL 133.A O no hydrogen 3.065 N/A THR 138.A N LEU 134.A O no hydrogen 2.684 N/A THR 138.A OG1 ALA 46.A O no hydrogen 3.553 N/A SER 139.A N LYS 135.A O no hydrogen 3.100 N/A SER 139.A OG LYS 135.A O no hydrogen 3.272 N/A LEU 140.A N GLN 136.A O no hydrogen 3.218 N/A TYR 141.A N MET 137.A O no hydrogen 2.905 N/A GLN 142.A N SER 139.A O no hydrogen 3.162 N/A LYS 143.A N LEU 140.A O no hydrogen 3.169 N/A LYS 143.A NZ GLU 171.A OE1 no hydrogen 2.848 N/A LYS 143.A NZ GLU 171.A OE2 no hydrogen 3.340 N/A TYR 144.A N LEU 140.A O no hydrogen 3.027 N/A TYR 144.A OH GLU 171.A OE1 no hydrogen 2.576 N/A GLN 145.A N TYR 141.A O no hydrogen 2.668 N/A GLN 145.A NE2 TYR 141.A O no hydrogen 2.682 N/A GLN 145.A NE2 GLN 142.A O no hydrogen 3.058 N/A CYS 146.A SG TYR 144.A O no hydrogen 3.884 N/A CYS 146.A SG SER 147.A O no hydrogen 3.614 N/A SER 147.A OG GLN 229.A OE1 no hydrogen 2.772 N/A ILE 148.A N ILE 200.A O no hydrogen 2.697 N/A VAL 149.A N ILE 236.A O no hydrogen 3.097 N/A ALA 150.A N ARG 198.A O no hydrogen 3.073 N/A ILE 151.A N TYR 238.A O no hydrogen 2.903 N/A GLU 152.A N ALA 194.A O no hydrogen 2.881 N/A VAL 154.A N ASN 192.A O no hydrogen 3.055 N/A GLU 158.A N ALA 155.A O no hydrogen 2.837 N/A VAL 159.A N ALA 155.A O no hydrogen 3.359 N/A LYS 161.A N GLU 158.A O no hydrogen 2.787 N/A TYR 162.A N VAL 159.A O no hydrogen 3.168 N/A TYR 162.A OH ASP 246.A OD1 no hydrogen 2.893 N/A VAL 164.A N VAL 181.A O no hydrogen 2.807 N/A ILE 165.A N LEU 193.A O no hydrogen 3.254 N/A ARG 166.A N ASP 179.A O no hydrogen 2.880 N/A GLU 168.A N GLU 176.A O no hydrogen 2.980 N/A LEU 170.A N VAL 174.A O no hydrogen 2.947 N/A GLU 171.A N VAL 174.A O no hydrogen 3.505 N/A VAL 174.A N GLU 171.A O no hydrogen 2.867 N/A TYR 175.A N ALA 237.A O no hydrogen 2.929 N/A GLU 176.A N GLU 168.A O no hydrogen 2.959 N/A ILE 177.A N ILE 235.A O no hydrogen 2.922 N/A LYS 178.A N ARG 166.A O no hydrogen 2.664 N/A LYS 178.A NZ GLU 176.A OE2 no hydrogen 3.524 N/A ASP 179.A N ARG 166.A O no hydrogen 3.172 N/A MET 180.A N ASP 179.A OD2 no hydrogen 2.513 N/A VAL 181.A N VAL 164.A O no hydrogen 2.961 N/A LYS 183.A N TYR 162.A O no hydrogen 2.805 N/A LYS 183.A NZ GLU 182.A OE2 no hydrogen 3.266 N/A ASP 188.A N ASN 185.A O no hydrogen 2.752 N/A SER 191.A OG ILE 165.A O no hydrogen 2.646 N/A LEU 193.A N SER 191.A OG no hydrogen 3.065 N/A ALA 194.A N GLU 152.A O no hydrogen 2.988 N/A VAL 195.A N GLY 163.A O no hydrogen 2.837 N/A ILE 196.A N ALA 150.A O no hydrogen 2.753 N/A GLY 197.A N ASP 123.A OD2 no hydrogen 2.721 N/A ARG 198.A N ILE 196.A O no hydrogen 2.653 N/A ARG 198.A NE GLU 42.A OE1 no hydrogen 3.412 N/A ARG 198.A NE GLU 42.A OE2 no hydrogen 2.921 N/A ARG 198.A NH1 ASP 123.A O no hydrogen 3.101 N/A ARG 198.A NH1 GLY 197.A O no hydrogen 2.735 N/A ARG 198.A NH2 GLU 42.A OE1 no hydrogen 2.834 N/A ARG 198.A NH2 ASP 123.A O no hydrogen 3.025 N/A TYR 199.A N VAL 118.A O no hydrogen 2.967 N/A ILE 200.A N ILE 148.A O no hydrogen 2.879 N/A LEU 201.A N PHE 116.A O no hydrogen 2.872 N/A THR 202.A N SER 147.A OG no hydrogen 3.071 N/A THR 202.A OG1 ASP 204.A OD1 no hydrogen 2.631 N/A ILE 205.A N THR 202.A O no hydrogen 2.964 N/A PHE 206.A N PRO 203.A O no hydrogen 3.172 N/A ILE 208.A N ASP 204.A O no hydrogen 3.294 N/A LEU 209.A N ILE 205.A O no hydrogen 2.941 N/A SER 210.A N PHE 206.A O no hydrogen 2.940 N/A SER 210.A OG GLU 207.A O no hydrogen 2.623 N/A GLU 211.A N ILE 208.A O no hydrogen 3.282 N/A THR 212.A N LEU 209.A O no hydrogen 3.091 N/A THR 212.A OG1 ILE 208.A O no hydrogen 2.719 N/A GLY 215.A N GLU 219.A O no hydrogen 2.848 N/A LYS 216.A NZ LYS 183.A O no hydrogen 3.006 N/A ASN 218.A N GLY 215.A O no hydrogen 2.904 N/A GLU 219.A N LYS 216.A O no hydrogen 3.129 N/A ILE 220.A N LYS 98.A O no hydrogen 2.843 N/A GLN 221.A NE2 LYS 216.A O no hydrogen 2.902 N/A THR 223.A OG1 GLU 182.A OE1 no hydrogen 2.546 N/A ALA 225.A N GLN 221.A O no hydrogen 3.319 N/A LEU 226.A N ILE 222.A O no hydrogen 2.771 N/A ARG 227.A N THR 223.A O no hydrogen 2.857 N/A ARG 227.A NE ASP 179.A OD2 no hydrogen 3.072 N/A THR 228.A N ASP 224.A O no hydrogen 3.022 N/A THR 228.A OG1 ASP 224.A O no hydrogen 3.211 N/A GLN 229.A N ALA 225.A O no hydrogen 2.908 N/A GLN 229.A NE2 ASP 204.A OD2 no hydrogen 3.194 N/A ALA 230.A N LEU 226.A O no hydrogen 2.761 N/A LYS 231.A N ARG 227.A O no hydrogen 3.176 N/A ARG 232.A N GLN 229.A O no hydrogen 3.028 N/A ARG 232.A NH1 GLU 207.A OE1 no hydrogen 3.321 N/A LYS 233.A N GLN 229.A O no hydrogen 3.128 N/A LYS 233.A NZ ASP 204.A OD1 no hydrogen 3.275 N/A LYS 233.A NZ ASP 204.A OD2 no hydrogen 2.946 N/A ARG 234.A NH1 GLU 176.A OE1 no hydrogen 2.513 N/A ILE 236.A N SER 147.A O no hydrogen 3.146 N/A ALA 237.A N TYR 175.A O no hydrogen 2.742 N/A TYR 238.A N VAL 149.A O no hydrogen 2.920 N/A TYR 238.A OH GLN 136.A OE1 no hydrogen 2.620 N/A GLN 239.A N GLY 173.A O no hydrogen 2.754 N/A LYS 241.A N GLN 136.A OE1 no hydrogen 2.892 N/A LYS 243.A N ILE 126.A O no hydrogen 2.651 N/A ARG 244.A NE ASP 123.A OD1 no hydrogen 2.942 N/A ARG 244.A NH1 TYR 162.A OH no hydrogen 2.985 N/A ARG 244.A NH2 ASP 123.A OD1 no hydrogen 2.844 N/A TYR 245.A N LEU 124.A O no hydrogen 2.945 N/A CYS 247.A N ASP 122.A O no hydrogen 2.860 N/A CYS 247.A N TYR 245.A O no hydrogen 2.909 N/A CYS 247.A SG TYR 245.A O no hydrogen 3.815 N/A CYS 247.A SG GLY 252.A O no hydrogen 3.603 N/A GLY 248.A N ASP 246.A OD2 no hydrogen 2.911 N/A SER 249.A N ASP 246.A O no hydrogen 3.038 N/A SER 249.A OG ASP 246.A O no hydrogen 2.731 N/A GLY 252.A N SER 249.A OG no hydrogen 3.148 N/A TYR 253.A N SER 249.A O no hydrogen 2.898 N/A TYR 253.A OH PRO 29.A O no hydrogen 2.482 N/A ILE 254.A N VAL 250.A O no hydrogen 2.991 N/A GLU 255.A N GLU 251.A O no hydrogen 3.118 N/A ALA 256.A N GLY 252.A O no hydrogen 3.123 N/A SER 257.A N TYR 253.A O no hydrogen 3.124 N/A SER 257.A OG ILE 30.A O no hydrogen 3.165 N/A SER 257.A OG TYR 253.A O no hydrogen 2.887 N/A ASN 258.A N ILE 254.A O no hydrogen 2.860 N/A ALA 259.A N GLU 255.A O no hydrogen 2.752 N/A TYR 260.A N ALA 256.A O no hydrogen 2.754 N/A TYR 260.A OH ASP 32.A OD2 no hydrogen 2.978 N/A TYR 261.A N SER 257.A O no hydrogen 2.923 N/A LYS 262.A N ASN 258.A O no hydrogen 2.915 N/A LYS 263.A N TYR 260.A O no hydrogen 2.966 N/A ARG 264.A N TYR 260.A O no hydrogen 2.734 N/A LEU 265.A N TYR 261.A O no hydrogen 2.868 N/A