Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qyj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N PHE 2.A O no hydrogen 2.938 N/A GLU 6.A N LYS 21.A O no hydrogen 2.871 N/A GLN 7.A NE2 ASN 18.A OD1 no hydrogen 2.817 N/A THR 8.A N LEU 19.A O no hydrogen 2.957 N/A VAL 10.A N ILE 17.A O no hydrogen 2.821 N/A THR 12.A N ALA 15.A O no hydrogen 2.772 N/A THR 12.A OG1 ALA 15.A O no hydrogen 2.638 N/A THR 13.A N GLU 88.A OE1 no hydrogen 2.879 N/A THR 13.A OG1 GLU 88.A OE1 no hydrogen 2.927 N/A ALA 15.A N THR 12.A OG1 no hydrogen 3.235 N/A ARG 16.A N SER 66.A OG no hydrogen 2.984 N/A ARG 16.A NE ASP 11.A OD1 no hydrogen 3.098 N/A ILE 17.A N VAL 10.A O no hydrogen 2.825 N/A ASN 18.A N SER 65.A OG no hydrogen 3.050 N/A ASN 18.A ND2 ASP 58.A OD2 no hydrogen 3.016 N/A LEU 19.A N THR 8.A O no hydrogen 2.877 N/A VAL 20.A N ALA 56.A O no hydrogen 2.952 N/A LYS 21.A N GLU 6.A O no hydrogen 2.849 N/A ALA 22.A N VAL 54.A O no hydrogen 3.106 N/A LEU 28.A N THR 53.A O no hydrogen 2.764 N/A LEU 29.A N TYR 99.A O no hydrogen 2.805 N/A LEU 30.A N VAL 55.A O no hydrogen 2.819 N/A LEU 31.A N VAL 101.A O no hydrogen 2.857 N/A HIS 32.A ND1 GLY 33.A O no hydrogen 2.832 N/A TYR 34.A N ASP 104.A OD2 no hydrogen 2.853 N/A GLN 36.A N GLY 33.A O no hydrogen 2.931 N/A GLN 36.A NE2 GLU 274.A OE1 no hydrogen 2.890 N/A HIS 38.A N ASP 58.A OD1 no hydrogen 2.909 N/A VAL 39.A N THR 37.A OG1 no hydrogen 3.120 N/A MET 40.A N THR 37.A O no hydrogen 3.170 N/A TRP 41.A N HIS 38.A O no hydrogen 3.106 N/A HIS 42.A N VAL 39.A O no hydrogen 2.973 N/A HIS 42.A ND1 VAL 39.A O no hydrogen 3.038 N/A LYS 43.A NZ ALA 185.A O no hydrogen 2.917 N/A LYS 43.A NZ GLU 274.A O no hydrogen 2.910 N/A ILE 44.A N TRP 41.A O no hydrogen 3.087 N/A ALA 45.A N TRP 41.A O no hydrogen 2.748 N/A LEU 48.A N ILE 44.A O no hydrogen 2.990 N/A ALA 49.A N ALA 45.A O no hydrogen 2.901 N/A ASN 50.A N LEU 47.A O no hydrogen 3.072 N/A ASN 51.A N LEU 48.A O no hydrogen 2.939 N/A PHE 52.A N LEU 48.A O no hydrogen 2.875 N/A THR 53.A N ALA 26.A O no hydrogen 2.839 N/A THR 53.A OG1 GLY 23.A O no hydrogen 3.527 N/A THR 53.A OG1 GLY 25.A O no hydrogen 2.621 N/A VAL 54.A N ALA 22.A O no hydrogen 2.785 N/A VAL 55.A N LEU 28.A O no hydrogen 2.801 N/A ALA 56.A N VAL 20.A O no hydrogen 2.942 N/A THR 57.A OG1 GLN 86.A OE1 no hydrogen 2.673 N/A ASP 58.A N ASN 18.A O no hydrogen 2.839 N/A LEU 59.A N HIS 32.A NE2 no hydrogen 3.006 N/A ARG 60.A NE ASP 85.A OD2 no hydrogen 2.760 N/A ARG 60.A NH1 GLU 14.A OE2.A no hydrogen 3.292 N/A ARG 60.A NH1 ASP 85.A OD1 no hydrogen 2.845 N/A ARG 60.A NH1 ASP 85.A OD2 no hydrogen 3.450 N/A ARG 60.A NH2 ASN 76.A O no hydrogen 2.860 N/A GLY 61.A N SER 66.A O no hydrogen 2.833 N/A TYR 62.A N LEU 59.A O no hydrogen 2.967 N/A TYR 62.A OH ASP 210.A OD2 no hydrogen 2.614 N/A ASP 64.A N ASP 58.A OD2 no hydrogen 2.932 N/A SER 65.A N TYR 62.A O no hydrogen 3.099 N/A SER 65.A OG ARG 16.A O no hydrogen 3.539 N/A SER 65.A OG ASP 58.A O no hydrogen 2.778 N/A SER 66.A N ARG 16.A O no hydrogen 2.877 N/A SER 66.A OG ARG 16.A O no hydrogen 3.421 N/A ARG 67.A NE SER 65.A O no hydrogen 3.255 N/A ARG 67.A NH2 GLY 63.A O no hydrogen 2.765 N/A HIS 74.A N VAL 71.A O no hydrogen 3.065 N/A ASN 76.A ND2 ALA 69.A O no hydrogen 3.060 N/A TYR 77.A N HIS 74.A O no hydrogen 3.028 N/A TYR 77.A OH PRO 68.A O no hydrogen 2.720 N/A SER 78.A N ILE 75.A O no hydrogen 3.170 N/A SER 78.A OG ILE 75.A O no hydrogen 2.805 N/A LYS 79.A N ASP 218.A OD1 no hydrogen 2.809 N/A LYS 79.A NZ TYR 77.A O no hydrogen 2.842 N/A LYS 79.A NZ ASP 210.A O no hydrogen 3.419 N/A LYS 79.A NZ ASP 210.A OD1 no hydrogen 2.770 N/A LYS 79.A NZ ASP 218.A OD2 no hydrogen 2.796 N/A ARG 80.A NE ASP 116.A OD2 no hydrogen 2.870 N/A ARG 80.A NH2 ASP 116.A OD1 no hydrogen 3.041 N/A VAL 81.A N SER 78.A OG no hydrogen 3.258 N/A MET 82.A N SER 78.A O no hydrogen 2.870 N/A ALA 83.A N LYS 79.A O no hydrogen 2.838 N/A GLN 84.A N ARG 80.A O no hydrogen 2.980 N/A GLN 84.A NE2 GLU 88.A OE2 no hydrogen 3.138 N/A ASP 85.A N VAL 81.A O no hydrogen 3.192 N/A GLN 86.A NE2 ASP 58.A O no hydrogen 3.681 N/A VAL 87.A N ALA 83.A O no hydrogen 3.006 N/A GLU 88.A N GLN 84.A O no hydrogen 3.057 N/A VAL 89.A N ASP 85.A O no hydrogen 2.952 N/A MET 90.A N GLN 86.A O no hydrogen 3.004 N/A SER 91.A N VAL 87.A O no hydrogen 2.897 N/A SER 91.A OG VAL 87.A O no hydrogen 3.348 N/A SER 91.A OG GLU 96.A OE2 no hydrogen 2.852 N/A LYS 92.A N GLU 88.A O no hydrogen 2.889 N/A LEU 93.A N VAL 89.A O no hydrogen 3.039 N/A GLY 94.A N SER 91.A O no hydrogen 2.957 N/A TYR 95.A N MET 90.A O no hydrogen 2.909 N/A GLN 97.A NE2 HIS 119.A O no hydrogen 3.031 N/A PHE 98.A N ARG 120.A O no hydrogen 2.853 N/A TYR 99.A N PRO 27.A O no hydrogen 3.046 N/A VAL 100.A N LYS 123.A O no hydrogen 2.992 N/A VAL 101.A N LEU 29.A O no hydrogen 2.836 N/A GLY 102.A N ALA 125.A O no hydrogen 2.934 N/A HIS 103.A N LEU 31.A O no hydrogen 2.900 N/A ASP 104.A N LEU 127.A O no hydrogen 3.199 N/A ARG 105.A NE ASP 210.A OD1 no hydrogen 3.393 N/A ARG 105.A NE ASP 210.A OD2 no hydrogen 2.904 N/A ARG 105.A NH2 ASP 210.A OD1 no hydrogen 2.799 N/A GLY 106.A N HIS 103.A O no hydrogen 3.006 N/A ARG 108.A N ASP 104.A O no hydrogen 3.243 N/A ARG 108.A NH1 ALA 130.A O no hydrogen 2.899 N/A ARG 108.A NH1 THR 132.A OG1 no hydrogen 2.882 N/A ARG 108.A NH2 ALA 130.A O no hydrogen 3.383 N/A VAL 109.A N ARG 105.A O no hydrogen 2.897 N/A ALA 110.A N GLY 106.A O no hydrogen 2.803 N/A HIS 111.A N ALA 107.A O no hydrogen 2.901 N/A ARG 112.A N ARG 108.A O no hydrogen 3.320 N/A ARG 112.A NH1 ASP 116.A OD1 no hydrogen 3.098 N/A ARG 112.A NH1 ASP 225.A OD2 no hydrogen 2.751 N/A ARG 112.A NH2 ASP 222.A OD1 no hydrogen 2.854 N/A ARG 112.A NH2 ASP 225.A OD1 no hydrogen 2.988 N/A LEU 113.A N VAL 109.A O no hydrogen 2.854 N/A ALA 114.A N ALA 110.A O no hydrogen 2.897 N/A LEU 115.A N HIS 111.A O no hydrogen 3.116 N/A ASP 116.A N ARG 112.A O no hydrogen 2.748 N/A HIS 117.A N LEU 113.A O no hydrogen 2.760 N/A HIS 117.A NE2 GLN 84.A OE1 no hydrogen 3.163 N/A ARG 120.A N HIS 117.A O no hydrogen 2.956 N/A ARG 120.A NH1 GLU 96.A OE1 no hydrogen 2.747 N/A VAL 121.A N HIS 117.A O no hydrogen 3.336 N/A LYS 122.A N PHE 98.A O no hydrogen 2.864 N/A LEU 124.A N PRO 233.A O no hydrogen 2.962 N/A ALA 125.A N VAL 100.A O no hydrogen 2.863 N/A LEU 126.A N LEU 235.A O no hydrogen 2.885 N/A LEU 127.A N GLY 102.A O no hydrogen 2.769 N/A ASP 128.A N LEU 237.A O no hydrogen 2.693 N/A HIS 133.A NE2 GLU 223.A OE2 no hydrogen 2.862 N/A LYS 134.A NZ GLU 256.A OE1 no hydrogen 3.173 N/A LYS 134.A NZ GLU 256.A OE2 no hydrogen 3.513 N/A MET 135.A N PRO 131.A O no hydrogen 3.025 N/A TYR 136.A N THR 132.A O no hydrogen 2.989 N/A TYR 136.A OH TRP 150.A O no hydrogen 2.591 N/A ARG 137.A N HIS 133.A O no hydrogen 2.858 N/A ARG 137.A NE GLU 223.A OE2 no hydrogen 3.319 N/A ARG 137.A NH2 GLU 223.A OE2 no hydrogen 2.643 N/A THR 138.A N LYS 134.A O no hydrogen 2.981 N/A THR 138.A OG1 LYS 134.A O no hydrogen 2.666 N/A THR 139.A N TYR 136.A O no hydrogen 3.170 N/A THR 139.A OG1 TYR 136.A O no hydrogen 2.661 N/A PHE 143.A N ASP 140.A OD1 no hydrogen 2.862 N/A ALA 144.A N ASP 140.A O no hydrogen 2.906 N/A THR 145.A N GLN 141.A O no hydrogen 2.916 N/A THR 145.A OG1 GLN 141.A O no hydrogen 2.660 N/A ALA 146.A N GLU 142.A O no hydrogen 2.941 N/A TYR 147.A N PHE 143.A O no hydrogen 2.742 N/A TRP 150.A N TYR 147.A O no hydrogen 2.954 N/A PHE 151.A N TYR 148.A O no hydrogen 2.923 N/A PHE 152.A N TYR 148.A O no hydrogen 2.982 N/A LEU 153.A N HIS 149.A O no hydrogen 2.954 N/A GLN 155.A N PHE 152.A O no hydrogen 3.156 N/A LEU 159.A N PRO 156.A O no hydrogen 3.212 N/A GLU 161.A N GLU 161.A OE1 no hydrogen 2.743 N/A THR 162.A N ASN 158.A O no hydrogen 2.988 N/A THR 162.A OG1 ASN 158.A O no hydrogen 2.956 N/A LEU 163.A N LEU 159.A O no hydrogen 2.986 N/A ILE 164.A N PRO 160.A O no hydrogen 2.857 N/A GLY 165.A N GLU 161.A O no hydrogen 2.868 N/A ALA 166.A N THR 162.A O no hydrogen 3.201 N/A ASN 167.A N ILE 164.A O no hydrogen 2.941 N/A TYR 171.A N ASN 167.A O no hydrogen 3.320 N/A TYR 171.A OH TYR 148.A OH no hydrogen 2.771 N/A LEU 172.A N PRO 168.A O no hydrogen 2.924 N/A ARG 173.A N GLU 169.A O no hydrogen 2.926 N/A ARG 173.A NE GLU 169.A OE2 no hydrogen 2.927 N/A ARG 173.A NH2 GLU 169.A OE2 no hydrogen 3.384 N/A LYS 174.A N TYR 170.A O no hydrogen 2.993 N/A LYS 174.A NZ GLU 177.A OE1 no hydrogen 2.911 N/A CYS 175.A N TYR 171.A O no hydrogen 2.996 N/A CYS 175.A SG TYR 171.A O no hydrogen 3.497 N/A LEU 176.A N LEU 172.A O no hydrogen 2.990 N/A GLU 177.A N ARG 173.A O no hydrogen 2.848 N/A LYS 178.A N LYS 174.A O no hydrogen 2.925 N/A TRP 179.A N CYS 175.A O no hydrogen 2.970 N/A GLY 180.A N LEU 176.A O no hydrogen 3.015 N/A LYS 181.A N GLU 275.A OE2 no hydrogen 3.071 N/A ALA 185.A N ASP 182.A O no hydrogen 2.863 N/A PHE 186.A N PHE 183.A O no hydrogen 3.088 N/A LEU 191.A N HIS 187.A O no hydrogen 2.921 N/A ALA 192.A N PRO 188.A O no hydrogen 3.011 N/A GLU 193.A N GLN 189.A O no hydrogen 3.141 N/A TYR 194.A N ALA 190.A O no hydrogen 2.910 N/A TYR 194.A OH GLU 274.A OE2 no hydrogen 2.619 N/A ILE 195.A N LEU 191.A O no hydrogen 2.983 N/A ARG 196.A N ALA 192.A O no hydrogen 2.857 N/A ARG 196.A NE GLU 193.A OE1 no hydrogen 2.923 N/A ARG 196.A NH1 ASP 64.A OD1 no hydrogen 2.991 N/A ARG 196.A NH2 ASP 64.A OD1 no hydrogen 3.561 N/A ARG 196.A NH2 ASP 64.A OD2 no hydrogen 2.760 N/A ARG 196.A NH2 GLU 193.A OE1 no hydrogen 3.558 N/A ARG 196.A NH2 GLU 193.A OE2 no hydrogen 2.999 N/A CYS 197.A N GLU 193.A O no hydrogen 3.114 N/A CYS 197.A SG GLU 193.A O no hydrogen 3.626 N/A PHE 198.A N TYR 194.A O no hydrogen 2.875 N/A SER 199.A N ILE 195.A O no hydrogen 2.929 N/A SER 199.A OG ILE 195.A O no hydrogen 2.697 N/A GLN 200.A N CYS 197.A O no hydrogen 3.246 N/A VAL 203.A N GLN 200.A O no hydrogen 2.870 N/A ILE 204.A N GLN 200.A O no hydrogen 3.092 N/A HIS 205.A N PRO 201.A O no hydrogen 2.939 N/A HIS 205.A ND1 GLU 161.A OE2 no hydrogen 2.750 N/A ALA 206.A N ALA 202.A O no hydrogen 3.045 N/A THR 207.A N VAL 203.A O no hydrogen 2.897 N/A THR 207.A OG1 VAL 203.A O no hydrogen 2.893 N/A THR 207.A OG1 ILE 204.A O no hydrogen 2.998 N/A CYS 208.A N ILE 204.A O no hydrogen 3.092 N/A CYS 208.A SG ILE 204.A O no hydrogen 3.346 N/A GLU 209.A N HIS 205.A O no hydrogen 2.911 N/A ASP 210.A N ALA 206.A O no hydrogen 2.971 N/A TYR 211.A N THR 207.A O no hydrogen 3.267 N/A ARG 212.A N CYS 208.A O no hydrogen 2.812 N/A ARG 212.A NE GLN 155.A O no hydrogen 3.394 N/A ARG 212.A NH1 GLU 161.A OE2 no hydrogen 2.759 N/A ARG 212.A NH1 GLU 209.A OE2 no hydrogen 2.842 N/A ARG 212.A NH2 GLN 155.A O no hydrogen 2.847 N/A ARG 212.A NH2 GLU 161.A OE1 no hydrogen 2.893 N/A ARG 212.A NH2 GLU 161.A OE2 no hydrogen 3.269 N/A ALA 213.A N GLU 209.A O no hydrogen 2.827 N/A ALA 214.A N ASP 210.A O no hydrogen 2.932 N/A ALA 215.A N TYR 211.A O no hydrogen 3.257 N/A THR 216.A N ALA 213.A O no hydrogen 3.083 N/A THR 216.A OG1 HIS 74.A ND1 no hydrogen 3.424 N/A THR 216.A OG1 ARG 212.A O no hydrogen 2.768 N/A THR 216.A OG1 ALA 213.A O no hydrogen 3.505 N/A ASP 218.A N ALA 213.A O no hydrogen 2.894 N/A LEU 219.A N THR 216.A O no hydrogen 2.982 N/A GLU 220.A N THR 216.A O no hydrogen 3.218 N/A HIS 221.A N ILE 217.A O no hydrogen 2.976 N/A ASP 222.A N ASP 218.A O no hydrogen 2.861 N/A GLU 223.A N LEU 219.A O no hydrogen 2.915 N/A LEU 224.A N GLU 220.A O no hydrogen 2.955 N/A LEU 224.A N HIS 221.A O no hydrogen 3.194 N/A ASP 225.A N ASP 222.A O no hydrogen 3.404 N/A GLN 228.A N ASP 225.A O no hydrogen 2.907 N/A GLN 228.A NE2 LEU 115.A O no hydrogen 2.811 N/A LYS 229.A NZ MET 226.A O no hydrogen 2.919 N/A LYS 229.A NZ GLU 256.A O no hydrogen 2.874 N/A ILE 230.A N ARG 257.A O no hydrogen 2.898 N/A CYS 232.A SG VAL 121.A O no hydrogen 3.606 N/A CYS 232.A SG PRO 233.A O no hydrogen 3.660 N/A VAL 234.A N ASP 260.A O no hydrogen 2.891 N/A LEU 235.A N LEU 124.A O no hydrogen 2.810 N/A VAL 236.A N SER 262.A O no hydrogen 2.839 N/A LEU 237.A N LEU 126.A O no hydrogen 3.038 N/A TRP 238.A N GLN 264.A O no hydrogen 3.261 N/A GLY 239.A N ASP 128.A OD1 no hydrogen 2.859 N/A GLU 240.A N LEU 266.A O no hydrogen 2.757 N/A LYS 241.A N CYS 268.A O no hydrogen 2.911 N/A ARG 246.A N ILE 243.A O no hydrogen 2.890 N/A ARG 246.A NH1 LYS 241.A O no hydrogen 2.792 N/A LYS 247.A N ILE 243.A O no hydrogen 2.826 N/A LYS 247.A NZ ASP 140.A OD1 no hydrogen 3.359 N/A LYS 247.A NZ ASP 140.A OD2 no hydrogen 2.897 N/A LYS 247.A NZ GLU 142.A OE1 no hydrogen 2.825 N/A TYR 248.A N ILE 244.A O no hydrogen 2.986 N/A ALA 252.A N ASP 249.A OD1 no hydrogen 3.143 N/A THR 253.A N ASP 249.A O no hydrogen 2.997 N/A THR 253.A OG1 VAL 250.A O no hydrogen 2.869 N/A TRP 254.A N VAL 250.A O no hydrogen 3.237 N/A TRP 254.A NE1 ILE 129.A O no hydrogen 2.896 N/A ARG 255.A N LEU 251.A O no hydrogen 2.854 N/A ARG 255.A N ALA 252.A O no hydrogen 3.240 N/A ARG 257.A N TRP 254.A O no hydrogen 2.897 N/A ARG 257.A NH2.B MET 226.A O no hydrogen 2.704 N/A ILE 259.A N ILE 230.A O no hydrogen 3.210 N/A SER 262.A N VAL 234.A O no hydrogen 2.903 N/A GLN 264.A N VAL 236.A O no hydrogen 3.089 N/A LEU 266.A N TRP 238.A O no hydrogen 2.731 N/A CYS 268.A N LEU 266.A O no hydrogen 2.804 N/A CYS 268.A SG GLY 269.A O no hydrogen 3.379 N/A GLY 269.A N GLU 275.A OE2 no hydrogen 2.926 N/A HIS 270.A N TRP 179.A O no hydrogen 3.025 N/A HIS 270.A ND1 ASP 128.A OD2 no hydrogen 2.504 N/A PHE 271.A N GLU 275.A OE1 no hydrogen 2.964 N/A LEU 272.A N HIS 270.A O no hydrogen 3.052 N/A GLU 274.A N PHE 271.A O no hydrogen 2.994 N/A GLU 275.A N PHE 271.A O no hydrogen 2.740 N/A ALA 276.A N LEU 272.A O no hydrogen 2.833 N/A GLU 279.A N GLU 279.A OE1 no hydrogen 2.782 N/A THR 280.A N ALA 276.A O no hydrogen 2.938 N/A THR 280.A OG1 LEU 272.A O no hydrogen 3.176 N/A THR 280.A OG1 ALA 276.A O no hydrogen 2.787 N/A TYR 281.A N PRO 277.A O no hydrogen 2.802 N/A GLN 282.A N GLU 278.A O no hydrogen 2.941 N/A ALA 283.A N GLU 279.A O no hydrogen 3.095 N/A ILE 284.A N THR 280.A O no hydrogen 3.033 N/A TYR 285.A N TYR 281.A O no hydrogen 2.701 N/A ASN 286.A N GLN 282.A O no hydrogen 2.935 N/A PHE 287.A N ALA 283.A O no hydrogen 3.031 N/A LEU 288.A N ILE 284.A O no hydrogen 2.977 N/A THR 289.A N TYR 285.A O no hydrogen 2.853 N/A THR 289.A OG1 TYR 285.A O no hydrogen 2.717 N/A HIS 290.A N ASN 286.A O no hydrogen 2.839 N/A