Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5u9d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A N GLY 1.A O no hydrogen 3.361 N/A GLY 5.A N GLU 8.A OE1.B no hydrogen 2.896 N/A GLU 8.A N.A GLY 5.A O no hydrogen 2.981 N/A GLU 8.A N.B GLY 5.A O no hydrogen 2.964 N/A ILE 9.A N VAL 75.A O no hydrogen 2.830 N/A LYS 12.A N ASP 10.A OD1 no hydrogen 2.886 N/A ASP 13.A N ASP 10.A O no hydrogen 2.852 N/A LEU 14.A N PRO 11.A O no hydrogen 3.019 N/A THR 15.A N LYS 32.A O no hydrogen 2.818 N/A LEU 17.A N TYR 30.A O no hydrogen 2.853 N/A LYS 18.A N TYR 30.A O no hydrogen 3.166 N/A LEU 20.A N VAL 28.A O no hydrogen 2.753 N/A GLY 21.A N VAL 28.A O no hydrogen 3.232 N/A THR 22.A OG1.A GLU 19.A OE1 no hydrogen 3.114 N/A GLY 23.A N GLY 26.A O no hydrogen 2.927 N/A GLY 26.A N GLY 23.A O no hydrogen 3.041 N/A VAL 27.A N MET 43.A O no hydrogen 3.011 N/A VAL 28.A N GLY 21.A O no hydrogen 2.839 N/A LYS 29.A N ILE 41.A O no hydrogen 2.828 N/A LYS 29.A NZ GLU 19.A OE2 no hydrogen 2.874 N/A TYR 30.A N LYS 18.A O no hydrogen 2.712 N/A TYR 30.A OH ASP 38.A OD1 no hydrogen 2.672 N/A GLY 31.A N VAL 39.A O no hydrogen 2.946 N/A LYS 32.A N THR 15.A O no hydrogen 2.833 N/A LYS 32.A NZ GLN 36.A O no hydrogen 3.484 N/A LYS 32.A NZ ASP 38.A OD1 no hydrogen 2.739 N/A TRP 33.A N TYR 37.A O no hydrogen 2.788 N/A ARG 34.A N ASP 13.A O no hydrogen 2.785 N/A ARG 34.A NE ASP 13.A OD2 no hydrogen 2.841 N/A ARG 34.A NH2 ASP 13.A OD2 no hydrogen 3.136 N/A GLN 36.A N TRP 33.A O no hydrogen 3.321 N/A TYR 37.A N TRP 33.A O no hydrogen 3.205 N/A VAL 39.A N GLY 31.A O no hydrogen 2.910 N/A ALA 40.A N THR 86.A O no hydrogen 2.844 N/A ILE 41.A N LYS 29.A O no hydrogen 2.757 N/A LYS 42.A N ILE 84.A O no hydrogen 2.721 N/A LYS 42.A NZ ASP 151.A OD1 no hydrogen 2.812 N/A LYS 42.A NZ ASP 151.A OD2 no hydrogen 3.223 N/A MET 43.A N VAL 27.A O no hydrogen 2.689 N/A ILE 44.A N ILE 82.A O.A no hydrogen 2.852 N/A ILE 44.A N ILE 82.A O.B no hydrogen 2.859 N/A LYS 45.A N PHE 25.A O no hydrogen 2.797 N/A SER 48.A N LYS 45.A O no hydrogen 3.117 N/A SER 48.A OG LYS 45.A O no hydrogen 2.698 N/A SER 50.A N TYR 157.A O no hydrogen 2.747 N/A SER 50.A OG GLU 53.A OE2 no hydrogen 2.981 N/A PHE 54.A N SER 50.A O no hydrogen 2.939 N/A ILE 55.A N GLU 51.A O no hydrogen 2.853 N/A GLU 56.A N.A ASP 52.A O no hydrogen 3.005 N/A GLU 56.A N.B ASP 52.A O no hydrogen 2.997 N/A GLU 57.A N GLU 53.A O no hydrogen 3.002 N/A ALA 58.A N PHE 54.A O no hydrogen 2.743 N/A LYS 59.A N ILE 55.A O no hydrogen 3.292 N/A LYS 59.A NZ GLU 56.A OE1.A no hydrogen 3.165 N/A LYS 59.A NZ GLU 56.A OE1.B no hydrogen 3.282 N/A LYS 59.A NZ GLU 56.A OE2.B no hydrogen 3.400 N/A MET 61.A N.A GLU 57.A O no hydrogen 2.904 N/A MET 61.A N.B GLU 57.A O no hydrogen 2.930 N/A MET 62.A N ALA 58.A O no hydrogen 2.938 N/A ASN 63.A N VAL 60.A O no hydrogen 3.026 N/A LEU 64.A N MET 61.A O.A no hydrogen 3.039 N/A LEU 64.A N MET 61.A O.B no hydrogen 3.193 N/A SER 65.A N TYR 123.A OH no hydrogen 2.951 N/A SER 65.A OG GLN 71.A OE1 no hydrogen 2.724 N/A LYS 68.A N HIS 66.A ND1 no hydrogen 2.874 N/A LYS 68.A NZ ASP 116.A OD1 no hydrogen 2.740 N/A LYS 68.A NZ GLU 119.A OE1 no hydrogen 2.719 N/A LEU 69.A N HIS 66.A O no hydrogen 3.001 N/A VAL 70.A N VAL 149.A O no hydrogen 2.954 N/A GLN 71.A N GLU 87.A OE1 no hydrogen 2.892 N/A GLN 71.A NE2 LEU 64.A O no hydrogen 3.415 N/A GLN 71.A NE2 LEU 72.A O no hydrogen 3.043 N/A TYR 73.A N ILE 85.A O no hydrogen 2.797 N/A GLY 74.A N ILE 85.A O no hydrogen 3.397 N/A VAL 75.A N TRP 7.A O no hydrogen 2.839 N/A CYS 76.A N PHE 83.A O no hydrogen 2.809 N/A CYS 76.A SG ILE 9.A O no hydrogen 3.318 N/A THR 77.A N GLU 8.A OE2.A no hydrogen 3.102 N/A THR 77.A OG1 GLU 8.A OE1.A no hydrogen 2.648 N/A THR 77.A OG1 GLU 8.A OE2.A no hydrogen 3.232 N/A THR 77.A OG1 GLU 8.A OE2.B no hydrogen 3.130 N/A ARG 80.A NE GLU 51.A OE1 no hydrogen 2.742 N/A ARG 80.A NH2 GLU 51.A OE1 no hydrogen 2.765 N/A PHE 83.A N CYS 76.A O no hydrogen 2.956 N/A ILE 84.A N LYS 42.A O no hydrogen 2.752 N/A ILE 85.A N GLY 74.A O no hydrogen 2.862 N/A THR 86.A N ALA 40.A O no hydrogen 2.938 N/A THR 86.A OG1 GLU 87.A O no hydrogen 2.868 N/A GLU 87.A N GLN 71.A O no hydrogen 2.861 N/A ASN 91.A N VAL 141.A O no hydrogen 2.816 N/A ASN 91.A ND2 ASN 142.A O no hydrogen 2.995 N/A GLY 92.A N MET 89.A O no hydrogen 2.996 N/A CYS 93.A SG.A ALA 136.A O no hydrogen 4.017 N/A CYS 93.A SG.A ARG 137.A O no hydrogen 3.701 N/A LEU 94.A N CYS 139.A O no hydrogen 2.857 N/A TYR 97.A N CYS 93.A O.A no hydrogen 3.066 N/A TYR 97.A N CYS 93.A O.B no hydrogen 3.125 N/A LEU 98.A N LEU 94.A O no hydrogen 2.828 N/A ARG 99.A N LEU 95.A O no hydrogen 3.201 N/A ARG 99.A NE GLY 206.A O no hydrogen 2.741 N/A ARG 99.A NH2 GLY 206.A O no hydrogen 2.923 N/A GLU 100.A N.A ASN 96.A O no hydrogen 3.172 N/A GLU 100.A N.A TYR 97.A O no hydrogen 3.265 N/A GLU 100.A N.B ASN 96.A O no hydrogen 3.174 N/A GLU 100.A N.B TYR 97.A O no hydrogen 3.262 N/A ARG 102.A NE GLU 100.A OE1.B no hydrogen 3.295 N/A ARG 102.A NH2 GLU 100.A OE2.A no hydrogen 3.510 N/A HIS 103.A N GLU 100.A O.A no hydrogen 3.304 N/A HIS 103.A N GLU 100.A O.B no hydrogen 3.301 N/A HIS 103.A NE2 GLU 100.A OE1.A no hydrogen 2.835 N/A ARG 104.A N.A MET 101.A O no hydrogen 3.076 N/A ARG 104.A N.B MET 101.A O no hydrogen 3.078 N/A ARG 104.A NH1.B ARG 102.A O no hydrogen 3.516 N/A GLN 106.A N GLN 109.A OE1 no hydrogen 2.812 N/A THR 107.A OG1 GLN 108.A OE1 no hydrogen 3.553 N/A GLN 108.A N GLN 108.A OE1 no hydrogen 2.819 N/A LEU 110.A N GLN 106.A O no hydrogen 3.249 N/A LEU 111.A N THR 107.A O no hydrogen 2.898 N/A GLU 112.A N.A GLN 108.A O no hydrogen 3.022 N/A GLU 112.A N.B GLN 108.A O no hydrogen 3.024 N/A MET 113.A N GLN 109.A O no hydrogen 3.029 N/A CYS 114.A N LEU 110.A O no hydrogen 3.106 N/A CYS 114.A SG LEU 110.A O no hydrogen 3.442 N/A LYS 115.A N LEU 111.A O no hydrogen 2.841 N/A LYS 115.A NZ GLU 119.A OE2 no hydrogen 2.825 N/A ASP 116.A N GLU 112.A O.A no hydrogen 2.846 N/A ASP 116.A N GLU 112.A O.B no hydrogen 2.821 N/A VAL 117.A N MET 113.A O no hydrogen 3.158 N/A CYS 118.A N CYS 114.A O no hydrogen 2.844 N/A CYS 118.A SG PHE 256.A O no hydrogen 3.451 N/A GLU 119.A N LYS 115.A O no hydrogen 2.846 N/A ALA 120.A N ASP 116.A O no hydrogen 3.171 N/A MET 121.A N VAL 117.A O no hydrogen 2.891 N/A GLU 122.A N.A CYS 118.A O no hydrogen 2.792 N/A GLU 122.A N.B CYS 118.A O no hydrogen 2.782 N/A TYR 123.A N GLU 119.A O no hydrogen 3.019 N/A LEU 124.A N ALA 120.A O no hydrogen 2.926 N/A GLU 125.A N MET 121.A O no hydrogen 2.747 N/A SER 126.A N GLU 122.A O.A no hydrogen 2.771 N/A SER 126.A N GLU 122.A O.B no hydrogen 2.890 N/A SER 126.A OG TYR 123.A O no hydrogen 2.655 N/A LYS 127.A N TYR 123.A O no hydrogen 3.119 N/A LYS 127.A N LEU 124.A O no hydrogen 3.052 N/A GLN 128.A N GLU 125.A O no hydrogen 2.968 N/A PHE 129.A N.A LEU 124.A O no hydrogen 2.907 N/A PHE 129.A N.B LEU 124.A O no hydrogen 2.915 N/A HIS 131.A N ASP 191.A OD2 no hydrogen 2.726 N/A HIS 131.A NE2 SER 150.A O no hydrogen 2.920 N/A ARG 132.A N ASP 191.A OD1 no hydrogen 3.065 N/A ASP 133.A N HIS 131.A ND1 no hydrogen 3.135 N/A ALA 136.A N GLU 201.A OE2 no hydrogen 2.901 N/A ARG 137.A NH2 ASP 133.A OD1 no hydrogen 2.835 N/A ASN 138.A N ALA 135.A O no hydrogen 2.911 N/A ASN 138.A ND2 ASP 133.A O no hydrogen 2.707 N/A CYS 139.A N ALA 136.A O no hydrogen 3.081 N/A CYS 139.A SG ALA 135.A O no hydrogen 3.637 N/A LEU 140.A N LYS 148.A O no hydrogen 2.849 N/A VAL 141.A N GLY 92.A O no hydrogen 2.800 N/A ASN 142.A N VAL 146.A O no hydrogen 2.935 N/A GLN 144.A N ASN 142.A OD1 no hydrogen 2.921 N/A GLY 145.A N ASN 142.A O no hydrogen 2.983 N/A VAL 146.A N ASN 142.A OD1 no hydrogen 2.931 N/A VAL 147.A N ASP 116.A OD2 no hydrogen 2.873 N/A LYS 148.A N LEU 140.A O no hydrogen 2.817 N/A LYS 148.A NZ GLU 67.A O.A no hydrogen 2.810 N/A LYS 148.A NZ GLU 67.A O.B no hydrogen 2.743 N/A LYS 148.A NZ GLU 87.A OE2 no hydrogen 2.680 N/A VAL 149.A N LYS 68.A O no hydrogen 2.925 N/A SER 150.A N ASN 138.A O no hydrogen 2.922 N/A GLY 153.A N HIS 131.A O no hydrogen 2.833 N/A LEU 154.A N ASP 151.A O no hydrogen 3.154 N/A ARG 156.A N GLY 153.A O no hydrogen 3.215 N/A ARG 156.A NE GLY 153.A O no hydrogen 2.982 N/A ARG 156.A NH1 GLU 57.A OE2 no hydrogen 2.978 N/A ARG 156.A NH2 GLU 57.A OE2 no hydrogen 2.942 N/A TYR 157.A N LEU 154.A O no hydrogen 3.031 N/A VAL 158.A N SER 155.A O no hydrogen 3.273 N/A LEU 159.A N SER 48.A O no hydrogen 2.859 N/A GLU 162.A N ASP 160.A OD1 no hydrogen 3.175 N/A TYR 163.A N.A ASP 160.A O no hydrogen 2.979 N/A TYR 163.A N.B ASP 160.A O no hydrogen 2.981 N/A TYR 163.A OH.B ASP 133.A OD2 no hydrogen 2.486 N/A SER 165.A N ASP 161.A O no hydrogen 3.472 N/A SER 165.A OG ASP 161.A O no hydrogen 3.004 N/A SER 166.A OG VAL 180.A O no hydrogen 3.136 N/A GLY 168.A N SER 165.A O no hydrogen 2.850 N/A SER 169.A N GLU 162.A OE1 no hydrogen 2.838 N/A SER 169.A OG GLU 162.A OE1 no hydrogen 2.712 N/A LYS 170.A N GLU 162.A O no hydrogen 2.811 N/A LYS 170.A NZ ASP 160.A OD2 no hydrogen 2.859 N/A PHE 171.A N GLY 168.A O no hydrogen 3.287 N/A VAL 173.A N PHE 171.A O no hydrogen 2.775 N/A ARG 174.A NE ASN 215.A OD1 no hydrogen 2.938 N/A ARG 174.A NH1 PRO 209.A O no hydrogen 2.918 N/A ARG 174.A NH1 TYR 210.A O no hydrogen 2.841 N/A ARG 174.A NH1 PHE 213.A O no hydrogen 3.083 N/A ARG 174.A NH2 PHE 213.A O no hydrogen 2.800 N/A TRP 175.A N PRO 172.A O no hydrogen 3.068 N/A TRP 175.A NE1 GLU 201.A OE2 no hydrogen 2.861 N/A SER 176.A N VAL 173.A O no hydrogen 3.128 N/A SER 176.A OG PRO 172.A O no hydrogen 2.773 N/A GLU 179.A N GLU 179.A OE1 no hydrogen 2.787 N/A VAL 180.A N PRO 177.A O no hydrogen 3.081 N/A LEU 181.A N PRO 177.A O no hydrogen 3.135 N/A MET 182.A N.A PRO 178.A O.A no hydrogen 2.761 N/A MET 182.A N.A PRO 178.A O.B no hydrogen 2.733 N/A MET 182.A N.B PRO 178.A O.A no hydrogen 2.772 N/A MET 182.A N.B PRO 178.A O.B no hydrogen 2.745 N/A TYR 183.A N.A GLU 179.A O no hydrogen 3.125 N/A TYR 183.A N.B GLU 179.A O no hydrogen 2.944 N/A SER 184.A N VAL 180.A O no hydrogen 2.893 N/A LYS 185.A N GLU 179.A O no hydrogen 3.046 N/A SER 187.A N SER 190.A OG no hydrogen 2.921 N/A LYS 189.A N SER 187.A OG no hydrogen 2.921 N/A LYS 189.A NZ ARG 253.A O no hydrogen 2.910 N/A LYS 189.A NZ PRO 254.A O no hydrogen 2.994 N/A SER 190.A N SER 187.A O no hydrogen 2.985 N/A SER 190.A OG SER 187.A O no hydrogen 2.849 N/A ASP 191.A N SER 187.A O no hydrogen 3.333 N/A ILE 192.A N SER 188.A O no hydrogen 2.936 N/A TRP 193.A N LYS 189.A O no hydrogen 3.073 N/A ALA 194.A N SER 190.A O no hydrogen 3.050 N/A PHE 195.A N ASP 191.A O no hydrogen 2.840 N/A GLY 196.A N ILE 192.A O no hydrogen 3.047 N/A VAL 197.A N TRP 193.A O no hydrogen 3.093 N/A LEU 198.A N.A ALA 194.A O no hydrogen 2.797 N/A LEU 198.A N.B ALA 194.A O no hydrogen 2.804 N/A MET 199.A N PHE 195.A O no hydrogen 2.825 N/A TRP 200.A N GLY 196.A O no hydrogen 2.967 N/A TRP 200.A NE1 TYR 229.A O no hydrogen 2.878 N/A GLU 201.A N VAL 197.A O no hydrogen 2.771 N/A ILE 202.A N LEU 198.A O.A no hydrogen 2.924 N/A ILE 202.A N LEU 198.A O.B no hydrogen 2.892 N/A TYR 203.A N MET 199.A O no hydrogen 2.937 N/A SER 204.A N TRP 200.A O no hydrogen 2.833 N/A SER 204.A OG TRP 200.A O no hydrogen 2.720 N/A LEU 205.A N ILE 202.A O no hydrogen 3.049 N/A GLY 206.A N GLU 201.A O no hydrogen 2.824 N/A LYS 207.A N.A SER 204.A O no hydrogen 3.380 N/A LYS 207.A N.B SER 204.A O no hydrogen 3.378 N/A LYS 207.A NZ.B GLU 211.A OE2 no hydrogen 3.032 N/A PHE 213.A N TYR 210.A O no hydrogen 2.830 N/A THR 214.A N GLU 217.A OE1 no hydrogen 2.950 N/A GLU 217.A N THR 214.A OG1 no hydrogen 3.012 N/A THR 218.A N THR 214.A O no hydrogen 2.865 N/A THR 218.A OG1 THR 214.A O no hydrogen 2.823 N/A ALA 219.A N ASN 215.A O no hydrogen 2.916 N/A GLU 220.A N SER 216.A O.A no hydrogen 3.114 N/A GLU 220.A N SER 216.A O.B no hydrogen 3.102 N/A HIS 221.A N GLU 217.A O no hydrogen 2.821 N/A HIS 221.A NE2 ARG 227.A O no hydrogen 3.172 N/A ILE 222.A N.A THR 218.A O no hydrogen 2.909 N/A ILE 222.A N.B THR 218.A O no hydrogen 2.870 N/A ALA 223.A N ALA 219.A O no hydrogen 2.954 N/A GLN 224.A N GLU 220.A O no hydrogen 2.944 N/A GLN 224.A NE2 GLU 220.A OE2 no hydrogen 2.693 N/A GLY 225.A N ILE 222.A O.A no hydrogen 3.221 N/A GLY 225.A N ILE 222.A O.B no hydrogen 2.905 N/A LEU 226.A N HIS 221.A O no hydrogen 3.121 N/A ARG 227.A NE TRP 246.A O no hydrogen 2.822 N/A ARG 227.A NH1 ILE 222.A O.A no hydrogen 3.129 N/A ARG 227.A NH1 ILE 222.A O.B no hydrogen 3.090 N/A ARG 227.A NH1 LEU 226.A O no hydrogen 2.861 N/A ARG 227.A NH2 TRP 246.A O no hydrogen 2.912 N/A ARG 230.A NE ALA 234.A O no hydrogen 2.730 N/A ARG 230.A NH2 ALA 234.A O no hydrogen 3.105 N/A ALA 234.A N PRO 231.A O no hydrogen 2.960 N/A SER 235.A OG GLU 270.A OE1 no hydrogen 2.696 N/A LYS 237.A NZ GLU 269.A OE1 no hydrogen 2.802 N/A VAL 238.A N SER 235.A OG no hydrogen 3.104 N/A TYR 239.A N SER 235.A O no hydrogen 2.840 N/A THR 240.A N GLU 236.A O no hydrogen 2.854 N/A THR 240.A OG1 GLU 236.A O no hydrogen 2.904 N/A ILE 241.A N LYS 237.A O no hydrogen 3.176 N/A MET 242.A N VAL 238.A O no hydrogen 3.092 N/A TYR 243.A N TYR 239.A O no hydrogen 2.834 N/A SER 244.A N THR 240.A O no hydrogen 2.980 N/A SER 244.A N ILE 241.A O no hydrogen 3.178 N/A SER 244.A OG ILE 241.A O no hydrogen 2.680 N/A CYS 245.A N MET 242.A O no hydrogen 3.069 N/A CYS 245.A SG ILE 241.A O no hydrogen 3.730 N/A TRP 246.A N TYR 243.A O no hydrogen 2.947 N/A HIS 247.A ND1.A SER 244.A O no hydrogen 2.932 N/A LYS 249.A N HIS 247.A ND1.B no hydrogen 3.299 N/A GLU 252.A N.A LYS 249.A O no hydrogen 3.071 N/A GLU 252.A N.B LYS 249.A O no hydrogen 3.069 N/A ARG 253.A N ALA 250.A O no hydrogen 3.042 N/A ARG 253.A NE HIS 247.A O.A no hydrogen 2.804 N/A ARG 253.A NE HIS 247.A O.B no hydrogen 2.803 N/A ARG 253.A NH1 GLU 179.A OE2 no hydrogen 2.716 N/A ARG 253.A NH1 LYS 189.A O no hydrogen 2.970 N/A ARG 253.A NH2 GLU 179.A OE1 no hydrogen 2.856 N/A ARG 253.A NH2 GLU 179.A OE2 no hydrogen 3.515 N/A ARG 253.A NH2 HIS 247.A O.A no hydrogen 2.995 N/A ARG 253.A NH2 HIS 247.A O.B no hydrogen 3.000 N/A ARG 253.A NH2 GLU 248.A O no hydrogen 3.305 N/A PHE 256.A N GLU 125.A OE1 no hydrogen 2.872 N/A ILE 258.A N THR 255.A OG1 no hydrogen 3.077 N/A LEU 259.A N THR 255.A O no hydrogen 2.910 N/A LEU 260.A N PHE 256.A O no hydrogen 2.833 N/A SER 261.A N.A LYS 257.A O no hydrogen 3.006 N/A SER 261.A N.B LYS 257.A O no hydrogen 3.021 N/A SER 261.A OG.B ILE 258.A O no hydrogen 2.687 N/A ASN 262.A N ILE 258.A O no hydrogen 2.911 N/A ILE 263.A N LEU 259.A O no hydrogen 2.839 N/A LEU 264.A N LEU 260.A O no hydrogen 2.889 N/A ASP 265.A N SER 261.A O.A no hydrogen 2.971 N/A ASP 265.A N SER 261.A O.B no hydrogen 2.947 N/A VAL 266.A N ASN 262.A O no hydrogen 2.974 N/A MET 267.A N ILE 263.A O no hydrogen 2.872 N/A ASP 268.A N LEU 264.A O no hydrogen 2.960 N/A GLU 269.A N ASP 265.A O no hydrogen 2.902 N/A GLU 270.A N VAL 266.A O no hydrogen 2.773 N/A SER 271.A N MET 267.A O no hydrogen 2.991 N/A