Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gux_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N ASN 242.A OD1.A no hydrogen 3.310 N/A ILE 3.A N ASN 242.A OD1.B no hydrogen 2.624 N/A ALA 5.A N ASP 238.A OD1 no hydrogen 3.148 N/A PHE 8.A N GLN 235.A OE1 no hydrogen 2.752 N/A ASP 9.A N GLU 103.A OE2 no hydrogen 2.962 N/A SER 12.A N ASP 9.A OD1 no hydrogen 2.954 N/A SER 12.A OG GLU 103.A OE1 no hydrogen 2.862 N/A ALA 13.A N ASP 9.A O no hydrogen 3.104 N/A TYR 14.A N ALA 10.A O no hydrogen 2.875 N/A GLN 15.A N ASP 11.A O.A no hydrogen 3.047 N/A GLN 15.A N ASP 11.A O.B no hydrogen 2.963 N/A TYR 16.A N SER 12.A O no hydrogen 3.126 N/A TYR 16.A OH SER 12.A OG no hydrogen 3.178 N/A ILE 17.A N ALA 13.A O no hydrogen 3.013 N/A GLN 18.A N TYR 14.A O no hydrogen 2.912 N/A GLN 18.A NE2 GLN 18.A O no hydrogen 3.192 N/A GLN 18.A NE2 ASP 22.A OD1 no hydrogen 2.708 N/A VAL 19.A N GLN 15.A O no hydrogen 2.859 N/A GLN 20.A N TYR 16.A O no hydrogen 3.334 N/A GLN 20.A NE2 TYR 16.A O no hydrogen 3.013 N/A GLN 20.A NE2 ALA 95.A O no hydrogen 3.177 N/A ALA 21.A N ILE 17.A O no hydrogen 2.972 N/A ASP 22.A N GLN 18.A O no hydrogen 2.909 N/A PHE 23.A N GLN 20.A O no hydrogen 3.108 N/A GLY 24.A N ALA 21.A O no hydrogen 3.042 N/A ARG 26.A N SER 91.A OG no hydrogen 2.805 N/A ARG 26.A NH1 GLY 24.A O no hydrogen 2.966 N/A ASN 29.A ND2 ILE 65.A O no hydrogen 2.998 N/A THR 30.A OG1 VAL 27.A O no hydrogen 2.569 N/A HIS 33.A N THR 30.A OG1 no hydrogen 3.310 N/A HIS 33.A NE2 ASP 123.A OD1 no hydrogen 2.635 N/A LYS 34.A N THR 30.A O no hydrogen 3.053 N/A GLU 35.A N GLN 31.A O no hydrogen 3.011 N/A CYS 36.A N ALA 32.A O no hydrogen 2.924 N/A GLY 37.A N HIS 33.A O no hydrogen 2.950 N/A GLU 38.A N LYS 34.A O no hydrogen 3.135 N/A TYR 39.A N GLU 35.A O no hydrogen 2.962 N/A LEU 40.A N CYS 36.A O no hydrogen 2.966 N/A ALA 41.A N GLY 37.A O no hydrogen 2.948 N/A GLY 42.A N GLU 38.A O no hydrogen 2.900 N/A GLN 43.A N TYR 39.A O no hydrogen 2.930 N/A LEU 44.A N LEU 40.A O no hydrogen 3.026 N/A GLU 45.A N ALA 41.A O no hydrogen 3.031 N/A LYS 46.A N GLY 42.A O no hydrogen 2.748 N/A PHE 47.A N GLN 43.A O no hydrogen 2.863 N/A GLY 48.A N GLU 45.A O no hydrogen 3.043 N/A ALA 49.A N LEU 44.A O no hydrogen 3.035 N/A LYS 50.A N ALA 74.A O no hydrogen 2.720 N/A TYR 52.A N ILE 72.A O no hydrogen 2.695 N/A GLN 54.A N ASN 70.A O no hydrogen 2.787 N/A ALA 56.A N SER 68.A O no hydrogen 3.172 N/A LEU 58.A N LEU 66.A O no hydrogen 3.044 N/A ALA 60.A N THR 64.A O no hydrogen 2.831 N/A GLY 63.A N ALA 60.A O no hydrogen 3.002 N/A THR 64.A N ASP 62.A OD1 no hydrogen 3.157 N/A THR 64.A OG1 ASP 62.A OD1 no hydrogen 2.682 N/A THR 64.A OG1 ASP 62.A OD2 no hydrogen 3.469 N/A LEU 66.A N LEU 58.A O no hydrogen 2.842 N/A LYS 67.A N ASN 29.A OD1 no hydrogen 2.930 N/A LYS 67.A NZ ASP 57.A OD1 no hydrogen 2.866 N/A SER 68.A N ALA 56.A O no hydrogen 2.977 N/A SER 68.A OG SER 124.A OG no hydrogen 2.619 N/A ARG 69.A N ASP 123.A OD2 no hydrogen 2.714 N/A ASN 70.A N GLN 54.A O no hydrogen 3.059 N/A ASN 70.A ND2 GLN 54.A OE1 no hydrogen 2.868 N/A ASN 70.A ND2 GLY 134.A O no hydrogen 2.873 N/A ILE 71.A N PHE 121.A O no hydrogen 2.939 N/A ILE 72.A N TYR 52.A O no hydrogen 2.768 N/A GLY 73.A N ILE 119.A O no hydrogen 2.704 N/A ALA 74.A N LYS 50.A O no hydrogen 2.899 N/A TYR 75.A N ILE 117.A O no hydrogen 2.721 N/A TYR 75.A OH PHE 47.A O no hydrogen 2.662 N/A SER 79.A N LYS 76.A O no hydrogen 3.144 N/A SER 79.A OG LYS 81.A O no hydrogen 2.593 N/A LYS 81.A NZ LYS 244.A OXT no hydrogen 2.842 N/A ARG 82.A NE ASP 118.A OD1 no hydrogen 3.330 N/A ARG 82.A NE ASP 118.A OD2 no hydrogen 2.739 N/A ARG 82.A NH1 LYS 76.A O no hydrogen 2.652 N/A ARG 82.A NH1 SER 79.A O no hydrogen 2.919 N/A ARG 82.A NH2 TYR 75.A O no hydrogen 2.880 N/A ARG 82.A NH2 ASP 118.A OD1 no hydrogen 2.812 N/A ILE 83.A N GLY 116.A O no hydrogen 2.997 N/A LEU 84.A N TYR 151.A O no hydrogen 3.006 N/A LEU 85.A N ASP 118.A O no hydrogen 2.734 N/A CYS 86.A N ILE 153.A O no hydrogen 2.856 N/A CYS 86.A SG ILE 153.A O no hydrogen 3.702 N/A ALA 87.A N VAL 120.A O no hydrogen 3.235 N/A HIS 88.A ND1 ASP 90.A OD1 no hydrogen 3.069 N/A TRP 89.A N PHE 122.A O no hydrogen 2.975 N/A TRP 89.A NE1 ARG 69.A O no hydrogen 3.032 N/A SER 91.A N ARG 26.A O no hydrogen 2.889 N/A VAL 98.A N GLY 94.A O no hydrogen 3.301 N/A GLY 99.A N ALA 95.A O no hydrogen 2.727 N/A VAL 100.A N SER 96.A O no hydrogen 3.090 N/A LEU 101.A N GLY 97.A O no hydrogen 3.105 N/A LEU 102.A N VAL 98.A O no hydrogen 2.927 N/A GLU 103.A N GLY 99.A O no hydrogen 3.206 N/A ILE 104.A N VAL 100.A O no hydrogen 2.934 N/A ALA 105.A N LEU 101.A O no hydrogen 2.805 N/A ARG 106.A N LEU 102.A O no hydrogen 2.971 N/A ARG 106.A NE GLU 103.A OE1 no hydrogen 2.775 N/A ARG 106.A NH2 GLU 103.A OE1 no hydrogen 3.244 N/A ARG 106.A NH2 GLU 103.A OE2 no hydrogen 2.909 N/A GLN 107.A N GLU 103.A O no hydrogen 3.175 N/A GLN 107.A NE2 GLU 103.A OE2 no hydrogen 2.676 N/A ILE 108.A N ILE 104.A O no hydrogen 2.852 N/A GLN 109.A N ALA 105.A O no hydrogen 2.907 N/A GLN 109.A NE2 LYS 46.A O no hydrogen 3.055 N/A LYS 110.A N ARG 106.A O no hydrogen 3.157 N/A GLU 111.A N GLN 107.A O no hydrogen 2.829 N/A GLY 116.A N LYS 81.A O no hydrogen 2.963 N/A ASP 118.A N ILE 83.A O no hydrogen 3.129 N/A ILE 119.A N GLY 73.A O no hydrogen 2.786 N/A VAL 120.A N LEU 85.A O no hydrogen 2.923 N/A PHE 121.A N ILE 71.A O no hydrogen 2.755 N/A PHE 122.A N ALA 87.A O no hydrogen 2.841 N/A ASP 123.A N ASN 70.A OD1 no hydrogen 2.891 N/A SER 124.A N ASP 123.A OD1 no hydrogen 2.802 N/A SER 124.A OG SER 68.A OG no hydrogen 2.619 N/A GLU 125.A N ASP 90.A OD1 no hydrogen 3.293 N/A GLU 125.A N ASP 90.A OD2 no hydrogen 2.944 N/A ASP 126.A N ASP 90.A OD2 no hydrogen 3.301 N/A TRP 131.A N GLN 128.A O no hydrogen 3.363 N/A CYS 132.A N GLU 125.A O no hydrogen 2.934 N/A CYS 132.A SG GLU 125.A OE2 no hydrogen 3.762 N/A CYS 132.A SG ASP 204.A OD1 no hydrogen 3.595 N/A LEU 133.A N SER 124.A O no hydrogen 2.936 N/A SER 135.A OG CYS 132.A O no hydrogen 3.369 N/A SER 135.A OG ASP 204.A OD1 no hydrogen 2.621 N/A GLN 136.A N CYS 132.A O no hydrogen 3.003 N/A GLN 136.A NE2 ASP 129.A O no hydrogen 3.485 N/A TYR 137.A N LEU 133.A O no hydrogen 2.961 N/A TRP 138.A N GLY 134.A O no hydrogen 2.736 N/A TRP 138.A NE1 HIS 143.A ND1 no hydrogen 3.381 N/A ALA 139.A N SER 135.A O no hydrogen 2.658 N/A ARG 140.A N GLN 136.A O no hydrogen 3.157 N/A THR 141.A N TYR 137.A O no hydrogen 3.108 N/A THR 141.A OG1 TYR 137.A O no hydrogen 3.305 N/A THR 141.A OG1 THR 141.A O no hydrogen 2.614 N/A TYR 147.A OH ASP 118.A OD2 no hydrogen 2.417 N/A ARG 150.A N ARG 82.A O no hydrogen 2.736 N/A ARG 150.A NH1 GLU 243.A OE1 no hydrogen 2.633 N/A ARG 150.A NH1 LYS 244.A O no hydrogen 2.905 N/A ARG 150.A NH2 LYS 244.A O no hydrogen 2.870 N/A TYR 151.A OH GLU 243.A OE2 no hydrogen 2.615 N/A GLY 152.A N PRO 215.A O no hydrogen 2.867 N/A ILE 153.A N LEU 84.A O no hydrogen 2.766 N/A LEU 154.A N VAL 217.A O no hydrogen 2.743 N/A LEU 155.A N CYS 86.A O no hydrogen 2.789 N/A ASP 156.A N ILE 219.A O no hydrogen 3.021 N/A LYS 160.A N ASN 224.A O no hydrogen 2.978 N/A ALA 162.A N GLY 159.A O no hydrogen 3.096 N/A THR 163.A N ASN 221.A OD1 no hydrogen 2.926 N/A THR 163.A OG1 TYR 222.A O no hydrogen 2.816 N/A PHE 164.A N TYR 192.A O no hydrogen 2.723 N/A TYR 166.A N GLU 196.A O no hydrogen 2.777 N/A GLY 168.A N GLY 199.A O no hydrogen 2.863 N/A TYR 169.A N GLU 167.A OE2 no hydrogen 2.941 N/A TYR 169.A OH ASN 209.A OD1 no hydrogen 2.769 N/A SER 170.A N GLU 167.A OE1 no hydrogen 2.747 N/A SER 170.A OG GLU 167.A OE1 no hydrogen 2.812 N/A ALA 171.A N GLU 167.A O no hydrogen 2.850 N/A ARG 172.A N TYR 169.A O no hydrogen 3.068 N/A THR 173.A N TYR 169.A O no hydrogen 2.972 N/A THR 173.A OG1 TYR 169.A O no hydrogen 2.412 N/A ALA 174.A N SER 170.A O no hydrogen 2.602 N/A ARG 175.A NH1 ALA 171.A O no hydrogen 3.127 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.690 N/A LYS 179.A N SER 176.A O no hydrogen 3.075 N/A LYS 179.A NZ GLU 243.A OE2 no hydrogen 2.827 N/A ILE 180.A N GLU 177.A O no hydrogen 3.168 N/A TRP 181.A NE1 PHE 164.A O no hydrogen 2.945 N/A TRP 181.A NE1 VAL 194.A O no hydrogen 3.091 N/A LYS 182.A N LYS 178.A O no hydrogen 2.861 N/A LYS 183.A N LYS 179.A O no hydrogen 3.028 N/A LYS 183.A NZ GLU 186.A OE2.B no hydrogen 2.675 N/A ALA 184.A N ILE 180.A O no hydrogen 3.097 N/A HIS 185.A N TRP 181.A O no hydrogen 3.179 N/A HIS 185.A NE2 PHE 193.A O no hydrogen 2.655 N/A GLU 186.A N.A LYS 182.A O no hydrogen 3.085 N/A GLU 186.A N.B LYS 182.A O no hydrogen 3.114 N/A LEU 187.A N LYS 183.A O no hydrogen 2.951 N/A GLY 188.A N HIS 185.A O no hydrogen 2.993 N/A TYR 189.A N ALA 184.A O no hydrogen 2.776 N/A TYR 192.A N TYR 189.A O no hydrogen 3.004 N/A PHE 193.A N TYR 189.A O no hydrogen 3.325 N/A VAL 194.A N PHE 164.A O no hydrogen 2.999 N/A GLU 196.A N VAL 194.A O no hydrogen 2.822 N/A GLY 198.A N TYR 166.A O no hydrogen 2.724 N/A THR 201.A N GLU 167.A OE2 no hydrogen 2.961 N/A THR 201.A OG1 VAL 202.A O no hydrogen 3.452 N/A ASP 204.A N ASP 203.A OD1 no hydrogen 2.926 N/A HIS 205.A NE2 GLU 167.A OE1 no hydrogen 2.753 N/A ILE 206.A N ASP 203.A O no hydrogen 3.073 N/A TYR 207.A OH ASP 129.A OD1 no hydrogen 2.761 N/A VAL 208.A N ASP 204.A O no hydrogen 3.051 N/A ASN 209.A N HIS 205.A O no hydrogen 3.115 N/A ASN 209.A ND2 ILE 214.A O no hydrogen 3.260 N/A LYS 210.A N TYR 207.A O no hydrogen 2.535 N/A LEU 211.A N TYR 207.A O no hydrogen 2.847 N/A ALA 212.A N VAL 208.A O no hydrogen 3.206 N/A VAL 217.A N GLY 152.A O no hydrogen 2.897 N/A ASP 218.A N SER 170.A OG no hydrogen 2.729 N/A ILE 219.A N LEU 154.A O no hydrogen 2.797 N/A TYR 222.A N THR 163.A O no hydrogen 2.985 N/A ASP 226.A N GLY 158.A O no hydrogen 2.689 N/A ARG 227.A NE ASP 11.A OD1.A no hydrogen 2.824 N/A ARG 227.A NH2 ASP 11.A OD1.A no hydrogen 2.870 N/A THR 229.A N ASP 226.A OD1 no hydrogen 3.184 N/A THR 229.A OG1 GLY 159.A O no hydrogen 2.751 N/A LEU 230.A N ASP 226.A O no hydrogen 3.154 N/A LYS 231.A N ARG 227.A O no hydrogen 2.968 N/A LYS 231.A NZ GLU 7.A OE1 no hydrogen 2.727 N/A LYS 231.A NZ PHE 8.A O no hydrogen 2.744 N/A LYS 231.A NZ GLN 235.A OE1 no hydrogen 2.686 N/A ALA 232.A N ASN 228.A O no hydrogen 3.002 N/A VAL 233.A N THR 229.A O no hydrogen 3.081 N/A GLY 234.A N LEU 230.A O no hydrogen 2.782 N/A GLN 235.A N LYS 231.A O no hydrogen 2.833 N/A GLN 235.A NE2 PRO 6.A O no hydrogen 2.903 N/A GLN 235.A NE2 ASP 238.A OD2 no hydrogen 3.075 N/A THR 236.A N ALA 232.A O no hydrogen 3.314 N/A THR 236.A OG1 ALA 232.A O no hydrogen 2.774 N/A VAL 237.A N VAL 233.A O no hydrogen 3.014 N/A VAL 239.A N THR 236.A O no hydrogen 2.911 N/A ILE 240.A N VAL 237.A O no hydrogen 2.893 N/A TYR 241.A OH GLU 111.A O no hydrogen 2.561 N/A ASN 242.A N.A VAL 239.A O no hydrogen 3.192 N/A ASN 242.A N.B VAL 239.A O no hydrogen 3.204 N/A ASN 242.A ND2.B ILE 3.A O no hydrogen 2.824 N/A ASN 242.A ND2.B ASP 238.A O no hydrogen 2.758 N/A GLU 243.A N ILE 240.A O no hydrogen 3.268 N/A