Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6cug_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N VAL 214.A O no hydrogen 2.778 N/A THR 6.A N LEU 102.A O no hydrogen 3.236 N/A SER 7.A N ASP 31.A OD1 no hydrogen 3.005 N/A SER 7.A OG HIS 9.A ND1 no hydrogen 2.872 N/A PHE 8.A N CYS 100.A O no hydrogen 2.881 N/A HIS 9.A N TRP 29.A O no hydrogen 2.884 N/A HIS 9.A ND1 SER 7.A OG no hydrogen 2.872 N/A VAL 10.A N ALA 98.A O no hydrogen 2.837 N/A ILE 11.A N SER 27.A O no hydrogen 2.889 N/A GLN 12.A N GLY 96.A O no hydrogen 2.813 N/A GLN 12.A NE2 SER 14.A OG no hydrogen 3.018 N/A THR 13.A N GLN 25.A O no hydrogen 2.833 N/A SER 14.A N ILE 94.A O no hydrogen 2.892 N/A SER 14.A OG THR 24.A OG1 no hydrogen 3.142 N/A SER 15.A N GLN 23.A O no hydrogen 2.863 N/A PHE 16.A N PHE 92.A O no hydrogen 2.868 N/A THR 17.A N TRP 21.A O no hydrogen 3.234 N/A THR 20.A N ASN 18.A OD1 no hydrogen 3.064 N/A THR 20.A OG1 ASN 18.A OD1 no hydrogen 2.729 N/A TRP 21.A N ASN 18.A O no hydrogen 3.406 N/A GLN 23.A N SER 15.A O no hydrogen 3.084 N/A THR 24.A OG1 SER 14.A OG no hydrogen 3.142 N/A GLN 25.A N THR 13.A O no hydrogen 2.821 N/A SER 27.A N ILE 11.A O no hydrogen 3.202 N/A GLY 28.A N HIS 36.A O no hydrogen 2.981 N/A TRP 29.A N HIS 9.A O no hydrogen 2.760 N/A TRP 29.A NE1 SER 27.A OG no hydrogen 2.861 N/A LEU 30.A N LEU 33.A O no hydrogen 2.778 N/A ASP 31.A N SER 7.A O no hydrogen 2.900 N/A LEU 33.A N LEU 30.A O no hydrogen 3.169 N/A GLN 34.A NE2 HIS 36.A O no hydrogen 2.969 N/A ILE 35.A N GLY 28.A O no hydrogen 2.999 N/A HIS 36.A N GLY 28.A O no hydrogen 3.045 N/A HIS 36.A NE2 TYR 167.A OH no hydrogen 2.872 N/A GLY 37.A N ILE 46.A O no hydrogen 2.844 N/A ASP 39.A N THR 44.A O no hydrogen 2.951 N/A SER 40.A OG.A THR 24.A O no hydrogen 2.944 N/A SER 40.A OG.B ASP 41.A OD1 no hydrogen 3.400 N/A SER 42.A OG ASP 39.A OD2 no hydrogen 2.717 N/A SER 42.A OG THR 44.A OG1 no hydrogen 2.731 N/A GLY 43.A N ASP 39.A O no hydrogen 2.766 N/A THR 44.A N ASP 39.A O no hydrogen 3.340 N/A THR 44.A OG1 SER 42.A OG no hydrogen 2.731 N/A ALA 45.A N GLU 65.A OE2 no hydrogen 3.000 N/A ILE 46.A N GLY 37.A O no hydrogen 2.850 N/A LEU 48.A N ILE 35.A O no hydrogen 3.001 N/A LYS 49.A N SER 52.A OG no hydrogen 2.963 N/A TRP 51.A NE1 ASP 178.A OD2 no hydrogen 2.788 N/A SER 52.A N LYS 49.A O no hydrogen 3.125 N/A SER 52.A OG ILE 35.A O no hydrogen 2.743 N/A SER 52.A OG LYS 49.A O no hydrogen 3.234 N/A GLY 54.A N TRP 51.A O no hydrogen 2.764 N/A PHE 56.A N LYS 53.A O no hydrogen 3.277 N/A GLU 60.A N SER 57.A OG no hydrogen 3.369 N/A VAL 61.A N SER 57.A O no hydrogen 3.035 N/A ALA 62.A N ASP 58.A O no hydrogen 3.220 N/A GLU 63.A N LYS 59.A O no hydrogen 3.136 N/A LEU 64.A N GLU 60.A O no hydrogen 3.145 N/A GLU 65.A N VAL 61.A O no hydrogen 3.006 N/A GLU 66.A N ALA 62.A O no hydrogen 3.288 N/A ILE 67.A N GLU 63.A O no hydrogen 3.109 N/A PHE 68.A N LEU 64.A O no hydrogen 2.976 N/A ARG 69.A N GLU 65.A O no hydrogen 2.807 N/A ARG 69.A NE GLU 66.A OE1 no hydrogen 2.821 N/A ARG 69.A NH1 GLU 66.A OE1 no hydrogen 3.528 N/A ARG 69.A NH1 GLU 66.A OE2 no hydrogen 3.080 N/A VAL 70.A N GLU 66.A O no hydrogen 2.994 N/A TYR 71.A N ILE 67.A O no hydrogen 2.959 N/A TYR 71.A OH GLN 12.A OE1 no hydrogen 2.933 N/A ILE 72.A N PHE 68.A O no hydrogen 2.858 N/A PHE 73.A N ARG 69.A O no hydrogen 2.977 N/A GLY 74.A N VAL 70.A O no hydrogen 2.787 N/A PHE 75.A N TYR 71.A O no hydrogen 2.707 N/A GLU 78.A N GLY 74.A O no hydrogen 2.907 N/A VAL 79.A N PHE 75.A O no hydrogen 2.992 N/A GLN 80.A N ALA 76.A O no hydrogen 3.084 N/A GLN 80.A NE2 ASN 18.A O no hydrogen 2.889 N/A GLN 80.A NE2 TRP 21.A O no hydrogen 3.431 N/A ASP 81.A N ARG 77.A O no hydrogen 3.048 N/A PHE 82.A N GLU 78.A O no hydrogen 3.039 N/A ALA 83.A N VAL 79.A O no hydrogen 2.765 N/A PHE 86.A N PHE 82.A O no hydrogen 3.041 N/A GLN 87.A N GLY 84.A O no hydrogen 3.197 N/A MET 88.A N ALA 83.A O no hydrogen 2.947 N/A PHE 92.A N PHE 16.A O no hydrogen 2.994 N/A ILE 94.A N SER 14.A O no hydrogen 2.809 N/A GLN 95.A N ALA 115.A O no hydrogen 3.117 N/A GLY 96.A N GLN 12.A O no hydrogen 2.882 N/A ILE 97.A N ARG 113.A O no hydrogen 3.018 N/A ALA 98.A N VAL 10.A O no hydrogen 3.120 N/A GLY 99.A N PHE 111.A O no hydrogen 2.855 N/A CYS 100.A N PHE 8.A O no hydrogen 2.897 N/A GLU 101.A N VAL 109.A O no hydrogen 2.790 N/A LEU 102.A N THR 6.A O no hydrogen 2.790 N/A HIS 103.A N ALA 107.A O no hydrogen 2.949 N/A GLY 106.A N HIS 103.A O no hydrogen 3.310 N/A VAL 109.A N GLU 101.A O no hydrogen 2.931 N/A SER 110.A OG LEU 160.A O no hydrogen 2.656 N/A PHE 111.A N GLY 99.A O no hydrogen 2.785 N/A ARG 113.A N ILE 97.A O no hydrogen 2.806 N/A GLY 114.A N LEU 122.A O no hydrogen 3.098 N/A ALA 115.A N GLN 95.A O no hydrogen 2.790 N/A LEU 116.A N LEU 119.A O no hydrogen 2.925 N/A GLY 117.A N GLU 93.A O no hydrogen 3.276 N/A PHE 121.A N GLY 114.A O no hydrogen 2.954 N/A LEU 122.A N GLY 114.A O no hydrogen 3.319 N/A SER 123.A N VAL 130.A O no hydrogen 2.927 N/A SER 123.A OG VAL 130.A O no hydrogen 3.334 N/A LYS 125.A N SER 128.A O no hydrogen 3.064 N/A ALA 127.A N TYR 161.A OH no hydrogen 3.100 N/A SER 128.A N LYS 125.A O no hydrogen 3.037 N/A VAL 130.A N SER 123.A O no hydrogen 2.889 N/A SER 132.A N.A PHE 121.A O no hydrogen 2.919 N/A SER 132.A N.B PHE 121.A O no hydrogen 2.915 N/A GLU 134.A N SER 132.A OG.B no hydrogen 3.323 N/A GLY 135.A N SER 132.A O.A no hydrogen 2.947 N/A GLY 135.A N SER 132.A O.B no hydrogen 2.945 N/A GLY 136.A N PRO 133.A O no hydrogen 3.363 N/A LYS 141.A N SER 137.A O no hydrogen 2.885 N/A PHE 142.A N ARG 138.A O no hydrogen 2.944 N/A CYS 143.A N ALA 139.A O no hydrogen 2.955 N/A CYS 143.A SG ALA 139.A O no hydrogen 3.680 N/A ALA 144.A N GLN 140.A O no hydrogen 2.960 N/A LEU 145.A N LYS 141.A O no hydrogen 3.090 N/A ILE 146.A N PHE 142.A O no hydrogen 2.951 N/A ILE 147.A N CYS 143.A O no hydrogen 3.355 N/A GLN 148.A N LEU 145.A O no hydrogen 3.231 N/A TYR 149.A N ILE 146.A O no hydrogen 3.134 N/A MET 153.A N TYR 149.A O no hydrogen 3.275 N/A GLU 154.A N GLN 150.A O no hydrogen 3.009 N/A THR 155.A N GLY 151.A O no hydrogen 3.080 N/A THR 155.A OG1 GLY 151.A O no hydrogen 3.042 N/A VAL 156.A N ILE 152.A O no hydrogen 2.902 N/A ARG 157.A N MET 153.A O no hydrogen 2.923 N/A ARG 157.A NE GLU 154.A OE2 no hydrogen 3.413 N/A ARG 157.A NH1 GLU 162.A OE2 no hydrogen 3.276 N/A ARG 157.A NH2 GLU 154.A OE1 no hydrogen 3.247 N/A ARG 157.A NH2 GLU 154.A OE2 no hydrogen 2.828 N/A ILE 158.A N GLU 154.A O no hydrogen 2.902 N/A LEU 159.A N THR 155.A O no hydrogen 3.117 N/A LEU 160.A N VAL 156.A O no hydrogen 2.960 N/A TYR 161.A N ARG 157.A O no hydrogen 3.116 N/A GLU 162.A N ILE 158.A O no hydrogen 2.894 N/A THR 163.A N ILE 158.A O no hydrogen 3.034 N/A THR 163.A OG1 ILE 158.A O no hydrogen 3.464 N/A CYS 164.A N LEU 159.A O no hydrogen 2.968 N/A ARG 166.A NH1 GLU 60.A OE1 no hydrogen 3.565 N/A ARG 166.A NH1 GLU 60.A OE2 no hydrogen 3.055 N/A ARG 166.A NH2 GLU 60.A OE2 no hydrogen 2.743 N/A TYR 167.A N THR 163.A O no hydrogen 2.981 N/A TYR 167.A OH SER 52.A O no hydrogen 2.647 N/A LEU 168.A N CYS 164.A O no hydrogen 2.814 N/A LEU 169.A N PRO 165.A O no hydrogen 3.134 N/A GLY 170.A N ARG 166.A O no hydrogen 3.097 N/A VAL 171.A N TYR 167.A O no hydrogen 2.876 N/A LEU 172.A N LEU 168.A O no hydrogen 2.922 N/A ASN 173.A N LEU 169.A O no hydrogen 3.257 N/A ALA 174.A N GLY 170.A O no hydrogen 2.892 N/A GLY 175.A N VAL 171.A O no hydrogen 3.072 N/A ASP 178.A N GLY 175.A O no hydrogen 2.977 N/A LEU 179.A N GLY 175.A O no hydrogen 2.774 N/A GLN 180.A N LYS 176.A O no hydrogen 2.820 N/A ARG 181.A NH1 TRP 239.A O no hydrogen 3.381 N/A ARG 181.A NH2 ASP 178.A O no hydrogen 3.284 N/A VAL 183.A N TYR 210.A O no hydrogen 2.820 N/A LYS 184.A NZ GLU 267.A OE2 no hydrogen 3.512 N/A GLU 186.A N SER 207.A O no hydrogen 2.780 N/A TRP 188.A N HIS 205.A O no hydrogen 3.009 N/A SER 190.A N VAL 203.A O no hydrogen 3.264 N/A SER 190.A OG HIS 205.A NE2 no hydrogen 2.877 N/A GLY 192.A N GLN 201.A O no hydrogen 2.858 N/A SER 194.A OG GLY 196.A O no hydrogen 3.028 N/A SER 194.A OG ARG 199.A O no hydrogen 2.905 N/A LEU 200.A N VAL 249.A O no hydrogen 2.867 N/A LEU 202.A N LEU 247.A O no hydrogen 3.116 N/A VAL 203.A N SER 190.A O no hydrogen 3.161 N/A CYS 204.A N ALA 245.A O no hydrogen 2.944 N/A HIS 205.A N TRP 188.A O no hydrogen 2.904 N/A HIS 205.A ND1 TYR 242.A OH no hydrogen 2.640 N/A HIS 205.A NE2 SER 190.A OG no hydrogen 2.877 N/A VAL 206.A N LEU 243.A O no hydrogen 2.866 N/A SER 207.A N GLU 186.A O no hydrogen 2.992 N/A GLY 208.A N TRP 241.A O no hydrogen 3.049 N/A TYR 210.A N VAL 183.A O no hydrogen 3.190 N/A TYR 210.A OH LEU 179.A O no hydrogen 2.682 N/A LYS 212.A NZ ASP 32.A OD2 no hydrogen 2.825 N/A TRP 215.A N LYS 262.A O no hydrogen 2.946 N/A MET 217.A N ARG 260.A O no hydrogen 3.130 N/A TRP 218.A NE1 ALA 245.A O no hydrogen 2.805 N/A MET 219.A N SER 258.A O no hydrogen 2.723 N/A ARG 220.A N GLN 223.A O no hydrogen 2.799 N/A GLN 223.A N ARG 220.A O no hydrogen 3.053 N/A GLN 225.A N TRP 218.A O no hydrogen 2.850 N/A THR 228.A N GLN 225.A O no hydrogen 3.280 N/A THR 228.A OG1 GLN 225.A O no hydrogen 2.681 N/A GLN 229.A N.A THR 246.A O no hydrogen 2.844 N/A GLN 229.A N.B THR 246.A O no hydrogen 2.843 N/A GLY 231.A N ARG 244.A O no hydrogen 3.095 N/A LEU 234.A N TYR 242.A O no hydrogen 2.746 N/A ASN 236.A N THR 240.A O no hydrogen 2.987 N/A ASN 236.A ND2 SER 207.A OG no hydrogen 3.354 N/A ASN 236.A ND2 THR 240.A OG1 no hydrogen 3.251 N/A THR 240.A OG1 ASN 238.A OD1 no hydrogen 2.720 N/A TRP 241.A N PHE 209.A O no hydrogen 3.071 N/A TYR 242.A N LEU 234.A O no hydrogen 2.749 N/A TYR 242.A OH HIS 205.A ND1 no hydrogen 2.640 N/A LEU 243.A N VAL 206.A O no hydrogen 2.892 N/A ALA 245.A N CYS 204.A O no hydrogen 2.831 N/A THR 246.A N GLN 229.A O.A no hydrogen 2.931 N/A THR 246.A N GLN 229.A O.B no hydrogen 2.936 N/A THR 246.A OG1 GLN 229.A O.A no hydrogen 3.549 N/A THR 246.A OG1 GLN 229.A O.B no hydrogen 3.530 N/A THR 246.A OG1 GLN 229.A OE1.B no hydrogen 2.765 N/A LEU 247.A N LEU 202.A O no hydrogen 3.086 N/A VAL 249.A N LEU 200.A O no hydrogen 3.058 N/A ASP 251.A N GLY 198.A O no hydrogen 3.158 N/A GLU 253.A N ALA 250.A O no hydrogen 2.986 N/A SER 258.A N MET 219.A O no hydrogen 2.763 N/A CYS 259.A N LEU 273.A O no hydrogen 2.737 N/A ARG 260.A N MET 217.A O no hydrogen 3.006 N/A ARG 260.A NH1 ASP 270.A OD2 no hydrogen 2.799 N/A VAL 261.A N ILE 271.A O no hydrogen 2.800 N/A LYS 262.A N TRP 215.A O no hydrogen 2.803 N/A LYS 262.A NZ ASP 270.A OD2 no hydrogen 2.748 N/A HIS 263.A ND1 SER 265.A OG no hydrogen 2.738 N/A HIS 263.A NE2 PRO 211.A O no hydrogen 2.832 N/A SER 264.A OG GLN 182.A OE1 no hydrogen 2.804 N/A SER 265.A N HIS 263.A ND1 no hydrogen 3.250 N/A SER 265.A OG VAL 183.A O no hydrogen 3.202 N/A SER 265.A OG HIS 263.A ND1 no hydrogen 2.738 N/A LEU 266.A N HIS 263.A O no hydrogen 3.251 N/A GLN 269.A N LEU 266.A O no hydrogen 2.910 N/A ILE 271.A N VAL 261.A O no hydrogen 3.170 N/A LEU 273.A N CYS 259.A O no hydrogen 2.861 N/A TRP 275.A N LEU 257.A O no hydrogen 2.921 N/A