Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k1u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N GLU 42.A OE1.A no hydrogen 2.923 N/A ASN 3.A ND2 ALA 286.A O no hydrogen 2.870 N/A ILE 5.A N THR 284.A O no hydrogen 2.900 N/A ILE 6.A N THR 284.A O no hydrogen 3.374 N/A GLN 8.A N HIS 283.A ND1 no hydrogen 2.966 N/A GLN 8.A NE2 ASN 281.A OD1 no hydrogen 2.810 N/A ARG 9.A NE GLU 34.A OE1.A no hydrogen 2.866 N/A ARG 9.A NE GLU 34.A OE2.B no hydrogen 2.837 N/A ARG 9.A NH1 GLN 8.A O no hydrogen 2.885 N/A ARG 9.A NH2 GLU 34.A OE1.A no hydrogen 3.435 N/A ARG 9.A NH2 GLU 34.A OE1.B no hydrogen 3.012 N/A ARG 9.A NH2 GLU 34.A OE2.A no hydrogen 2.705 N/A ALA 10.A N SER 26.A O no hydrogen 3.155 N/A ASP 11.A N HIS 265.A ND1 no hydrogen 2.894 N/A TYR 14.A N TYR 22.A O no hydrogen 2.848 N/A TYR 14.A OH HIS 16.A ND1 no hydrogen 2.785 N/A LYS 15.A NZ SER 254.A O no hydrogen 2.961 N/A LYS 15.A NZ GLU 255.A O no hydrogen 3.068 N/A HIS 16.A N TYR 20.A O no hydrogen 2.921 N/A HIS 16.A ND1 TYR 14.A OH no hydrogen 2.785 N/A TYR 20.A N ASP 18.A OD2 no hydrogen 3.042 N/A TYR 21.A N ALA 38.A O no hydrogen 2.804 N/A TYR 21.A OH VAL 253.A O no hydrogen 2.633 N/A TYR 22.A N TYR 14.A O no hydrogen 2.812 N/A TYR 22.A OH ASP 18.A OD1 no hydrogen 2.614 N/A PHE 23.A N ARG 36.A O no hydrogen 2.864 N/A THR 24.A OG1 GLU 34.A O no hydrogen 2.620 N/A SER 26.A N ALA 10.A O no hydrogen 2.807 N/A SER 26.A OG ASP 11.A OD2 no hydrogen 2.567 N/A TYR 30.A N VAL 27.A O no hydrogen 2.837 N/A TYR 30.A OH LEU 277.A O no hydrogen 2.682 N/A ARG 32.A NE ASP 51.A OD1 no hydrogen 2.982 N/A ARG 32.A NH1 GLU 29.A OE1 no hydrogen 3.046 N/A ARG 32.A NH1 ASP 31.A OD1 no hydrogen 2.865 N/A ILE 33.A N TRP 53.A O no hydrogen 2.890 N/A VAL 35.A N VAL 50.A O no hydrogen 2.882 N/A ARG 36.A N PHE 23.A O no hydrogen 3.054 N/A ARG 36.A NH1 LEU 44.A O no hydrogen 3.159 N/A ARG 36.A NH2 GLU 34.A OE1.A no hydrogen 2.999 N/A ARG 36.A NH2 GLU 34.A OE2.B no hydrogen 2.862 N/A LYS 37.A NZ.B TYR 22.A OH no hydrogen 3.559 N/A ALA 38.A N TYR 21.A O no hydrogen 2.979 N/A ILE 41.A N GLU 255.A OE2 no hydrogen 2.768 N/A GLY 43.A N THR 40.A OG1 no hydrogen 2.922 N/A LEU 44.A N ILE 41.A O no hydrogen 3.018 N/A ARG 45.A N GLU 42.A O no hydrogen 3.103 N/A ARG 45.A NE GLU 42.A OE1.B no hydrogen 2.655 N/A ARG 45.A NH1 PRO 4.A O no hydrogen 2.786 N/A ARG 45.A NH2 LEU 2.A O no hydrogen 3.134 N/A ARG 45.A NH2 PRO 4.A O no hydrogen 3.183 N/A ARG 45.A NH2 GLU 42.A OE1.B no hydrogen 2.377 N/A ALA 47.A N LEU 44.A O no hydrogen 3.314 N/A VAL 50.A N VAL 35.A O no hydrogen 2.791 N/A VAL 52.A N ILE 33.A O no hydrogen 2.895 N/A TRP 53.A NE1 GLU 113.A OE2 no hydrogen 2.847 N/A ARG 54.A NH2.B ASP 31.A OD2 no hydrogen 3.151 N/A ARG 55.A N ASP 31.A O no hydrogen 2.951 N/A ARG 55.A NH1 SER 61.A O no hydrogen 2.940 N/A HIS 56.A NE2 GLU 113.A OE2 no hydrogen 2.720 N/A SER 61.A OG GLY 59.A O no hydrogen 2.724 N/A ASN 62.A N ALA 83.A O no hydrogen 2.845 N/A ASN 62.A ND2 SER 61.A OG no hydrogen 2.924 N/A ASN 62.A ND2 PRO 84.A O no hydrogen 3.373 N/A ILE 64.A N TYR 30.A O no hydrogen 2.869 N/A TRP 65.A N ALA 81.A O no hydrogen 2.885 N/A ALA 66.A N SER 26.A OG no hydrogen 2.772 N/A GLU 68.A N TYR 79.A O no hydrogen 2.959 N/A HIS 70.A N TYR 77.A O no hydrogen 2.834 N/A HIS 70.A NE2 GLU 68.A OE1 no hydrogen 2.809 N/A ILE 72.A N ALA 75.A O no hydrogen 2.843 N/A ALA 75.A N ILE 72.A O no hydrogen 3.167 N/A TRP 76.A N ASN 101.A O no hydrogen 2.849 N/A TRP 76.A NE1 GLU 104.A O no hydrogen 3.066 N/A TYR 77.A N HIS 70.A O no hydrogen 2.866 N/A ILE 78.A N ILE 99.A O no hydrogen 2.910 N/A TYR 79.A N GLU 68.A O no hydrogen 2.961 N/A TYR 79.A OH PRO 161.A O no hydrogen 2.626 N/A PHE 80.A N PHE 97.A O no hydrogen 3.030 N/A ALA 81.A N TRP 65.A O no hydrogen 3.077 N/A ALA 82.A N ARG 96.A O no hydrogen 3.033 N/A ALA 83.A N ASN 62.A O no hydrogen 2.918 N/A LYS 86.A NZ.A TYR 278.A OH no hydrogen 2.692 N/A LYS 86.A NZ.B ASN 62.A OD1 no hydrogen 3.269 N/A ASN 87.A N ASP 85.A OD1 no hydrogen 3.035 N/A GLU 89.A N THR 92.A O no hydrogen 2.837 N/A THR 92.A N GLU 89.A O no hydrogen 3.389 N/A THR 92.A OG1 GLU 89.A O no hydrogen 3.349 N/A THR 92.A OG1 PHE 93.A O no hydrogen 3.155 N/A THR 92.A OG1 GLN 144.A OE1 no hydrogen 2.665 N/A HIS 95.A NE2 LEU 63.A O no hydrogen 2.868 N/A ARG 96.A N ALA 82.A O no hydrogen 2.869 N/A ARG 96.A NE GLU 122.A OE1.B no hydrogen 2.975 N/A ARG 96.A NH1 HIS 95.A O no hydrogen 3.014 N/A VAL 98.A N GLY 115.A O.A no hydrogen 3.333 N/A ILE 99.A N ILE 78.A O no hydrogen 2.959 N/A GLN 100.A N VAL 112.A O no hydrogen 2.831 N/A GLN 100.A NE2 TYR 77.A OH no hydrogen 2.940 N/A ASN 101.A N TRP 76.A O no hydrogen 2.861 N/A ASN 101.A ND2 PRO 106.A O no hydrogen 3.608 N/A ASN 101.A ND2 THR 108.A O no hydrogen 3.126 N/A ASN 101.A ND2 THR 108.A OG1 no hydrogen 3.394 N/A ASN 103.A N ASN 101.A OD1 no hydrogen 2.901 N/A ASN 105.A N ASN 103.A OD1 no hydrogen 2.881 N/A PHE 107.A N ASN 105.A OD1 no hydrogen 2.882 N/A THR 108.A N ASN 105.A O no hydrogen 3.121 N/A THR 108.A OG1 ASN 105.A O no hydrogen 2.706 N/A ASN 110.A ND2 THR 108.A OG1 no hydrogen 2.892 N/A TRP 111.A NE1 PRO 106.A O no hydrogen 2.824 N/A VAL 112.A N GLN 100.A O no hydrogen 2.807 N/A LYS 114.A N VAL 98.A O no hydrogen 3.134 N/A ARG 116.A NH2 GLU 122.A OE2.B no hydrogen 2.651 N/A THR 119.A OG1 TRP 121.A O no hydrogen 3.072 N/A THR 119.A OG1 GLN 143.A OE1 no hydrogen 2.917 N/A TRP 121.A NE1 GLN 144.A O no hydrogen 2.849 N/A SER 123.A OG GLN 144.A O no hydrogen 2.662 N/A SER 125.A N HIS 95.A O no hydrogen 3.044 N/A SER 125.A OG SER 123.A O no hydrogen 2.706 N/A LEU 126.A N ALA 142.A O no hydrogen 2.928 N/A THR 129.A N VAL 140.A O no hydrogen 2.759 N/A THR 129.A OG1 GLU 68.A OE1 no hydrogen 2.679 N/A THR 129.A OG1 GLU 68.A OE2 no hydrogen 3.508 N/A PHE 131.A N TYR 138.A O no hydrogen 3.068 N/A HIS 133.A N LYS 136.A O no hydrogen 2.994 N/A GLU 135.A N GLU 132.A OE2.A no hydrogen 2.821 N/A LYS 136.A N HIS 133.A O no hydrogen 2.983 N/A TYR 138.A N PHE 131.A O no hydrogen 2.775 N/A TYR 139.A N ALA 157.A O no hydrogen 2.863 N/A VAL 140.A N THR 129.A O no hydrogen 2.924 N/A TRP 141.A N TYR 155.A O no hydrogen 2.980 N/A TRP 141.A NE1 GLN 143.A OE1 no hydrogen 2.881 N/A ALA 142.A N LEU 126.A O no hydrogen 2.941 N/A GLN 143.A N ASN 153.A O no hydrogen 2.896 N/A GLN 143.A NE2 TRP 121.A O no hydrogen 2.942 N/A GLN 143.A NE2 SER 123.A OG no hydrogen 3.012 N/A GLN 144.A N PHE 124.A O no hydrogen 2.896 N/A GLN 144.A NE2 ASP 90.A O no hydrogen 2.798 N/A GLN 144.A NE2 GLY 150.A O no hydrogen 3.193 N/A ASN 147.A N ASP 145.A OD1 no hydrogen 2.793 N/A ILE 148.A N ASP 145.A O no hydrogen 2.942 N/A HIS 151.A N TRP 183.A O no hydrogen 2.845 N/A SER 152.A OG ASN 185.A O no hydrogen 2.672 N/A ASN 153.A N GLN 143.A O no hydrogen 2.888 N/A ASN 153.A ND2 TYR 155.A OH no hydrogen 3.103 N/A ILE 154.A N THR 171.A O no hydrogen 2.946 N/A TYR 155.A N TRP 141.A O no hydrogen 2.868 N/A ILE 156.A N VAL 169.A O no hydrogen 2.983 N/A ALA 157.A N TYR 139.A O no hydrogen 2.957 N/A GLU 158.A N THR 166.A OG1 no hydrogen 3.102 N/A GLU 159.A N THR 163.A O no hydrogen 2.816 N/A ASN 160.A N THR 163.A O no hydrogen 3.455 N/A ASN 160.A ND2 THR 163.A OG1 no hydrogen 2.762 N/A THR 163.A N ASN 160.A O no hydrogen 3.157 N/A LYS 165.A N GLU 158.A O no hydrogen 2.897 N/A LYS 165.A NZ GLU 158.A OE2 no hydrogen 3.436 N/A THR 166.A OG1 LYS 167.A O no hydrogen 2.930 N/A LYS 167.A NZ PRO 168.A O no hydrogen 2.719 N/A VAL 169.A N ILE 156.A O no hydrogen 2.862 N/A THR 171.A OG1 LYS 172.A O no hydrogen 3.428 N/A THR 171.A OG1 ASN 185.A OD1 no hydrogen 2.751 N/A GLU 174.A N GLU 178.A OE1 no hydrogen 2.981 N/A LEU 175.A N GLU 178.A OE1 no hydrogen 2.892 N/A TRP 177.A NE1 GLN 232.A O no hydrogen 2.975 N/A GLU 178.A N LEU 175.A O no hydrogen 2.843 N/A LYS 180.A N SER 204.A OG no hydrogen 3.005 N/A VAL 184.A N GLU 178.A O no hydrogen 3.285 N/A ASN 185.A N SER 152.A O no hydrogen 3.018 N/A ASN 185.A ND2 GLU 178.A OE2 no hydrogen 3.025 N/A ASN 185.A ND2 VAL 184.A O no hydrogen 2.974 N/A GLU 186.A N SER 202.A O no hydrogen 2.788 N/A GLY 187.A N ASP 127.A OD2 no hydrogen 2.884 N/A ALA 189.A N THR 200.A O no hydrogen 2.893 N/A LEU 191.A N PHE 198.A O no hydrogen 2.846 N/A LYS 192.A NZ GLU 132.A O no hydrogen 2.883 N/A LYS 192.A NZ HIS 133.A ND1 no hydrogen 2.821 N/A LYS 193.A N LYS 196.A O no hydrogen 3.081 N/A LYS 193.A NZ ASP 260.A OD2 no hydrogen 2.728 N/A ASN 194.A ND2 GLY 295.A O no hydrogen 2.991 N/A LYS 196.A N LYS 193.A O no hydrogen 2.919 N/A LYS 196.A NZ ASN 194.A O no hydrogen 2.835 N/A ILE 197.A N ALA 216.A O no hydrogen 2.839 N/A PHE 198.A N LEU 191.A O no hydrogen 2.777 N/A ILE 199.A N LEU 214.A O no hydrogen 2.836 N/A THR 200.A N ALA 189.A O no hydrogen 2.879 N/A THR 200.A OG1 ALA 189.A O no hydrogen 3.557 N/A THR 200.A OG1 ASN 249.A OD1 no hydrogen 2.721 N/A TYR 201.A N GLY 213.A O no hydrogen 3.109 N/A TYR 201.A OH GLU 178.A OE2 no hydrogen 2.672 N/A SER 202.A N GLU 186.A O no hydrogen 2.807 N/A ALA 203.A N CYS 211.A O no hydrogen 2.847 N/A SER 204.A N GLU 178.A O no hydrogen 3.119 N/A SER 204.A OG TRP 177.A O no hydrogen 2.697 N/A ALA 205.A N LYS 180.A O no hydrogen 2.918 N/A ASN 209.A N ASP 207.A OD1 no hydrogen 3.107 N/A ASN 209.A ND2 ASP 207.A OD1 no hydrogen 3.010 N/A TYR 210.A N ASP 207.A O no hydrogen 3.098 N/A TYR 210.A OH GLU 186.A OE2 no hydrogen 2.617 N/A CYS 211.A N ALA 203.A O no hydrogen 3.233 N/A CYS 211.A SG TRP 177.A O no hydrogen 3.483 N/A CYS 211.A SG ASN 209.A O no hydrogen 3.847 N/A ILE 212.A N PHE 236.A O no hydrogen 2.859 N/A GLY 213.A N TYR 201.A O no hydrogen 2.735 N/A LEU 214.A N ILE 199.A O no hydrogen 2.798 N/A THR 215.A N THR 229.A O no hydrogen 2.921 N/A ALA 216.A N ILE 197.A O no hydrogen 2.943 N/A GLU 218.A N GLY 195.A O no hydrogen 2.861 N/A SER 220.A N GLU 217.A O no hydrogen 2.996 N/A SER 220.A OG GLU 217.A O no hydrogen 2.730 N/A ASP 224.A N ASN 221.A O no hydrogen 3.127 N/A ASN 226.A N ASP 224.A OD1 no hydrogen 2.821 N/A SER 227.A N ASP 224.A O no hydrogen 2.902 N/A SER 227.A OG ASN 221.A O no hydrogen 2.554 N/A SER 227.A OG ASP 224.A O no hydrogen 3.457 N/A TRP 228.A N LYS 225.A O no hydrogen 3.036 N/A TRP 228.A NE1 LEU 222.A O no hydrogen 2.884 N/A THR 229.A N THR 215.A O no hydrogen 2.849 N/A LYS 230.A NZ THR 171.A OG1 no hydrogen 2.801 N/A LYS 230.A NZ GLU 174.A OE2 no hydrogen 2.807 N/A LYS 230.A NZ GLU 178.A OE1 no hydrogen 2.979 N/A LYS 230.A NZ GLU 178.A OE2 no hydrogen 3.068 N/A SER 231.A OG.B THR 233.A O no hydrogen 2.750 N/A VAL 235.A N ILE 212.A O no hydrogen 2.811 N/A PHE 236.A N ILE 212.A O no hydrogen 3.429 N/A THR 238.A OG1 VAL 208.A O no hydrogen 2.776 N/A SER 239.A N GLN 243.A O no hydrogen 2.956 N/A ASN 241.A N SER 239.A OG no hydrogen 3.112 N/A GLN 243.A N SER 239.A O no hydrogen 3.144 N/A TYR 244.A N ARG 267.A O no hydrogen 2.806 N/A GLY 245.A N THR 238.A OG1 no hydrogen 2.863 N/A GLY 247.A N HIS 265.A O no hydrogen 2.957 N/A HIS 248.A N SER 202.A OG no hydrogen 2.715 N/A ASN 249.A ND2 SER 250.A O no hydrogen 3.169 N/A SER 250.A N VAL 263.A O no hydrogen 2.816 N/A SER 250.A OG.A PRO 12.A O no hydrogen 2.811 N/A PHE 251.A N SER 250.A OG.B no hydrogen 2.838 N/A THR 252.A N VAL 261.A O no hydrogen 2.992 N/A VAL 253.A N THR 252.A OG1 no hydrogen 2.817 N/A SER 254.A N HIS 259.A O no hydrogen 2.898 N/A SER 254.A OG ASP 256.A OD1 no hydrogen 2.651 N/A GLU 255.A N GLU 255.A OE1 no hydrogen 2.675 N/A GLY 257.A N SER 254.A O no hydrogen 2.920 N/A LYS 258.A N ASP 256.A OD1 no hydrogen 2.936 N/A HIS 259.A N SER 254.A OG no hydrogen 3.085 N/A VAL 261.A N THR 252.A O no hydrogen 2.823 N/A ILE 262.A N GLN 287.A O no hydrogen 2.817 N/A VAL 263.A N SER 250.A O no hydrogen 3.015 N/A TYR 264.A N ARG 285.A O no hydrogen 2.925 N/A HIS 265.A N GLY 247.A O no hydrogen 3.074 N/A ALA 266.A N HIS 283.A O no hydrogen 3.069 N/A ARG 267.A N TYR 244.A O no hydrogen 2.964 N/A ARG 267.A NE ASP 279.A OD1 no hydrogen 2.771 N/A ARG 267.A NH1 THR 206.A O no hydrogen 3.042 N/A ARG 267.A NH2 ASP 279.A O no hydrogen 3.097 N/A ARG 267.A NH2 ASP 279.A OD1 no hydrogen 3.396 N/A ASN 268.A ND2 ASP 305.A OD2 no hydrogen 3.005 N/A TYR 269.A OH ASP 279.A OD2 no hydrogen 2.566 N/A LEU 277.A N ASP 275.A OD1 no hydrogen 3.105 N/A TYR 278.A N ASP 275.A O no hydrogen 3.022 N/A ASP 279.A N PRO 276.A O no hydrogen 3.187 N/A ASN 281.A N ASP 279.A OD1 no hydrogen 2.938 N/A ASN 281.A ND2 TYR 269.A OH no hydrogen 2.917 N/A HIS 283.A N ALA 266.A O no hydrogen 2.926 N/A THR 284.A N ILE 6.A O no hydrogen 2.796 N/A THR 284.A OG1 ARG 9.A O no hydrogen 2.775 N/A ARG 285.A N TYR 264.A O no hydrogen 2.767 N/A ARG 285.A NH1 TYR 264.A OH no hydrogen 2.858 N/A ARG 285.A NH1 GLU 303.A O no hydrogen 2.780 N/A ARG 285.A NH2 GLU 303.A O no hydrogen 2.875 N/A ARG 285.A NH2 ASP 305.A OD1 no hydrogen 2.864 N/A ALA 286.A N ASN 3.A OD1 no hydrogen 2.932 N/A GLN 287.A N ILE 262.A O no hydrogen 2.957 N/A ILE 289.A N ASP 260.A O no hydrogen 2.881 N/A ASN 290.A N ASP 298.A O no hydrogen 3.082 N/A TRP 291.A NE1 ASP 260.A OD2 no hydrogen 3.148 N/A ARG 292.A N THR 296.A O no hydrogen 2.881 N/A ARG 292.A NH1 THR 296.A OG1 no hydrogen 3.027 N/A GLY 295.A N ARG 292.A O no hydrogen 2.901 N/A THR 296.A N ASP 294.A OD1 no hydrogen 3.011 N/A THR 296.A OG1 ASP 294.A OD1 no hydrogen 2.545 N/A ASP 298.A N ASN 290.A O no hydrogen 2.722 N/A GLY 300.A N ASP 298.A OD1 no hydrogen 2.966 N/A SER 306.A N ASN 3.A O no hydrogen 2.888 N/A