Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ubx_I.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N SER 26.A OG no hydrogen 2.739 N/A GLN 3.A NE2 ASP 1.A O no hydrogen 3.620 N/A THR 5.A N LYS 24.A O no hydrogen 3.047 N/A GLN 6.A NE2 TYR 86.A O no hydrogen 2.749 N/A PHE 11.A N LYS 103.A O no hydrogen 3.280 N/A SER 12.A OG TYR 140.A OH no hydrogen 3.123 N/A VAL 13.A N GLU 105.A O no hydrogen 2.861 N/A GLY 16.A N LEU 78.A O no hydrogen 2.919 N/A ASP 17.A N SER 14.A O no hydrogen 2.960 N/A ALA 19.A N ILE 75.A O no hydrogen 2.863 N/A THR 20.A OG1 SER 74.A OG no hydrogen 3.098 N/A ILE 21.A N LEU 73.A O no hydrogen 2.783 N/A CYS 23.A N TYR 71.A O no hydrogen 2.770 N/A LYS 24.A N THR 5.A O no hydrogen 3.052 N/A ALA 25.A N LYS 69.A O no hydrogen 2.946 N/A SER 26.A N GLN 3.A O no hydrogen 2.885 N/A ILE 29.A N GLY 68.A O no hydrogen 3.153 N/A TYR 30.A N ASP 28.A OD1 no hydrogen 3.336 N/A ASN 31.A N TYR 71.A OH no hydrogen 2.923 N/A ARG 32.A N ILE 29.A O no hydrogen 2.845 N/A ILE 33.A N ASN 31.A O no hydrogen 2.900 N/A ALA 34.A N GLN 89.A O no hydrogen 2.701 N/A TRP 35.A N ILE 48.A O no hydrogen 2.718 N/A TYR 36.A N TYR 87.A O no hydrogen 2.733 N/A TYR 36.A OH GLN 89.A OE1 no hydrogen 2.882 N/A GLN 37.A N ARG 45.A O no hydrogen 2.784 N/A GLN 37.A NE2 TYR 86.A OH no hydrogen 3.041 N/A GLN 38.A N THR 85.A O no hydrogen 2.876 N/A GLN 38.A NE2 ASN 42.A O no hydrogen 3.195 N/A LYS 39.A NZ GLU 81.A O no hydrogen 2.935 N/A ASN 42.A N LYS 39.A O no hydrogen 3.024 N/A ARG 45.A N GLN 37.A O no hydrogen 2.688 N/A ARG 45.A NH1 GLN 37.A OE1 no hydrogen 3.376 N/A LEU 47.A N TRP 35.A O no hydrogen 2.880 N/A SER 49.A N SER 53.A O no hydrogen 3.080 N/A ALA 51.A N ILE 33.A O no hydrogen 3.184 N/A THR 52.A N GLY 50.A O no hydrogen 2.736 N/A GLU 55.A N LEU 47.A O no hydrogen 2.931 N/A VAL 58.A N GLU 55.A O no hydrogen 2.879 N/A ARG 61.A NE ASP 82.A OD2 no hydrogen 2.895 N/A ARG 61.A NH2 ASP 82.A OD1 no hydrogen 2.893 N/A ARG 61.A NH2 ASP 82.A OD2 no hydrogen 3.343 N/A PHE 62.A N PRO 59.A O no hydrogen 3.286 N/A SER 65.A N THR 72.A O no hydrogen 2.861 N/A SER 67.A N ASP 70.A O no hydrogen 3.157 N/A ASP 70.A N SER 67.A O no hydrogen 3.308 N/A TYR 71.A N CYS 23.A O no hydrogen 2.897 N/A TYR 71.A OH GLY 68.A O no hydrogen 2.659 N/A THR 72.A N SER 65.A O no hydrogen 2.921 N/A LEU 73.A N ILE 21.A O no hydrogen 2.897 N/A SER 74.A N SER 63.A O no hydrogen 2.763 N/A SER 74.A OG THR 20.A OG1 no hydrogen 3.098 N/A ILE 75.A N ALA 19.A O no hydrogen 2.846 N/A THR 76.A N ARG 61.A O no hydrogen 3.120 N/A THR 76.A OG1 ARG 61.A O no hydrogen 3.553 N/A SER 77.A OG GLY 16.A O no hydrogen 2.702 N/A LEU 78.A N ASP 17.A O no hydrogen 2.950 N/A GLN 79.A N ASP 82.A OD2 no hydrogen 2.836 N/A ASP 82.A N GLN 79.A O no hydrogen 2.925 N/A VAL 83.A N THR 80.A O no hydrogen 3.095 N/A THR 85.A N GLN 38.A O no hydrogen 2.853 N/A TYR 86.A N THR 102.A O no hydrogen 2.762 N/A TYR 86.A OH ASP 82.A O no hydrogen 2.682 N/A TYR 87.A N TYR 36.A O no hydrogen 2.958 N/A CYS 88.A N GLN 6.A OE1 no hydrogen 3.360 N/A GLN 89.A N ALA 34.A O no hydrogen 2.836 N/A GLN 89.A NE2 HIS 90.A O no hydrogen 3.069 N/A HIS 90.A N THR 97.A O no hydrogen 3.470 N/A TYR 91.A N ARG 32.A O no hydrogen 3.000 N/A TRP 92.A N HIS 90.A ND1 no hydrogen 3.111 N/A THR 97.A OG1 ILE 2.A O no hydrogen 2.500 N/A GLY 99.A N CYS 88.A O no hydrogen 2.782 N/A GLY 101.A N GLN 6.A OE1 no hydrogen 2.899 N/A THR 102.A N TYR 86.A O no hydrogen 2.822 N/A THR 102.A OG1 SER 8.A O no hydrogen 2.628 N/A LYS 103.A N SER 9.A O no hydrogen 2.873 N/A LEU 104.A N ALA 84.A O no hydrogen 2.762 N/A GLU 105.A N PHE 11.A O no hydrogen 3.242 N/A LEU 106.A N GLN 166.A OE1 no hydrogen 2.880 N/A LYS 107.A N VAL 13.A O no hydrogen 2.807 N/A ARG 108.A NE ASP 170.A O no hydrogen 2.906 N/A ARG 108.A NH1 ALA 109.A O no hydrogen 2.631 N/A ALA 111.A N TYR 140.A O no hydrogen 3.062 N/A THR 114.A N ASN 137.A O no hydrogen 2.892 N/A SER 116.A N PHE 135.A O no hydrogen 3.010 N/A PHE 118.A N VAL 133.A O no hydrogen 2.736 N/A GLN 124.A NE2 SER 131.A OG no hydrogen 2.871 N/A LEU 125.A N SER 121.A O no hydrogen 3.162 N/A THR 126.A N SER 122.A O no hydrogen 3.016 N/A THR 126.A OG1 SER 122.A O no hydrogen 2.826 N/A THR 126.A OG1 GLU 123.A O no hydrogen 3.053 N/A SER 127.A N GLN 124.A O no hydrogen 2.846 N/A SER 127.A OG GLN 124.A O no hydrogen 2.752 N/A GLY 128.A N GLN 124.A O no hydrogen 3.109 N/A GLY 128.A N LEU 125.A O no hydrogen 3.231 N/A ALA 130.A N LEU 181.A O no hydrogen 2.824 N/A SER 131.A N GLN 124.A OE1 no hydrogen 2.996 N/A VAL 132.A N LEU 179.A O no hydrogen 2.792 N/A VAL 133.A N PHE 118.A O no hydrogen 3.053 N/A CYS 134.A N SER 177.A O no hydrogen 2.814 N/A CYS 134.A SG SER 116.A O no hydrogen 3.610 N/A PHE 135.A N SER 116.A O no hydrogen 2.910 N/A LEU 136.A N MET 175.A O no hydrogen 2.696 N/A ASN 137.A N THR 114.A O no hydrogen 2.920 N/A ASN 138.A N SER 174.A OG no hydrogen 2.835 N/A ASN 138.A ND2 THR 172.A OG1 no hydrogen 3.131 N/A PHE 139.A N TYR 173.A O no hydrogen 2.805 N/A TYR 140.A N ALA 111.A O no hydrogen 2.945 N/A TYR 140.A OH SER 12.A OG no hydrogen 3.123 N/A LYS 142.A NZ SER 10.A OG no hydrogen 2.829 N/A LYS 142.A NZ GLU 105.A OE1 no hydrogen 2.848 N/A ASN 145.A N THR 197.A O no hydrogen 3.145 N/A LYS 147.A N GLU 195.A O no hydrogen 2.763 N/A TRP 148.A NE1 SER 177.A OG no hydrogen 2.874 N/A LYS 149.A N THR 193.A O no hydrogen 2.884 N/A ILE 150.A N SER 153.A O no hydrogen 2.785 N/A ASP 151.A N SER 191.A O no hydrogen 2.895 N/A SER 153.A N ILE 150.A O no hydrogen 3.059 N/A ARG 155.A N TRP 148.A O no hydrogen 2.933 N/A ARG 155.A NE ASN 157.A O no hydrogen 2.878 N/A LEU 160.A N THR 178.A O no hydrogen 2.872 N/A SER 162.A N SER 176.A O no hydrogen 3.020 N/A THR 164.A N SER 174.A O no hydrogen 2.929 N/A THR 164.A OG1 ASP 165.A O no hydrogen 3.532 N/A THR 164.A OG1 SER 174.A O no hydrogen 3.096 N/A GLN 166.A NE2 LEU 106.A O no hydrogen 2.714 N/A GLN 166.A NE2 SER 171.A O no hydrogen 3.304 N/A ASP 167.A N THR 172.A O no hydrogen 2.885 N/A LYS 169.A N ASP 167.A OD2 no hydrogen 2.831 N/A ASP 170.A N ASP 167.A OD2 no hydrogen 2.923 N/A SER 171.A N ASP 167.A O no hydrogen 3.019 N/A THR 172.A N ASP 170.A OD1 no hydrogen 2.951 N/A THR 172.A OG1 ASP 170.A OD1 no hydrogen 2.869 N/A THR 172.A OG1 ASP 170.A OD2 no hydrogen 3.561 N/A TYR 173.A N PHE 139.A O no hydrogen 2.778 N/A SER 174.A N THR 164.A OG1 no hydrogen 2.934 N/A MET 175.A N LEU 136.A O no hydrogen 2.941 N/A SER 176.A N SER 162.A O no hydrogen 2.981 N/A SER 177.A N CYS 134.A O no hydrogen 2.794 N/A SER 177.A OG ASN 161.A OD1 no hydrogen 2.707 N/A THR 178.A N LEU 160.A O no hydrogen 2.885 N/A LEU 179.A N VAL 132.A O no hydrogen 2.952 N/A THR 180.A N GLY 158.A O no hydrogen 3.187 N/A LEU 181.A N ALA 130.A O no hydrogen 2.844 N/A LYS 183.A N GLY 128.A O no hydrogen 2.740 N/A GLU 185.A N THR 182.A OG1 no hydrogen 3.286 N/A TYR 186.A N THR 182.A O no hydrogen 2.969 N/A GLU 187.A N LYS 183.A O no hydrogen 2.940 N/A ARG 188.A N ASP 184.A O no hydrogen 3.153 N/A HIS 189.A N TYR 186.A O no hydrogen 3.457 N/A ASN 190.A N ASP 151.A OD1 no hydrogen 2.981 N/A SER 191.A N ASP 151.A OD1 no hydrogen 2.888 N/A TYR 192.A N PHE 209.A O no hydrogen 3.123 N/A TYR 192.A OH TYR 186.A O no hydrogen 2.569 N/A THR 193.A N LYS 149.A O no hydrogen 2.747 N/A THR 193.A OG1 SER 208.A OG no hydrogen 2.710 N/A CYS 194.A N LYS 207.A O no hydrogen 2.799 N/A GLU 195.A N LYS 147.A O no hydrogen 2.886 N/A ALA 196.A N ILE 205.A O no hydrogen 2.908 N/A THR 197.A N ASN 145.A O no hydrogen 3.028 N/A HIS 198.A ND1 THR 200.A OG1 no hydrogen 2.935 N/A HIS 198.A NE2 PRO 141.A O no hydrogen 2.971 N/A LYS 199.A NZ ASP 110.A OD2 no hydrogen 3.216 N/A THR 200.A N HIS 198.A ND1 no hydrogen 3.297 N/A THR 200.A OG1 HIS 198.A ND1 no hydrogen 2.935 N/A SER 201.A N HIS 198.A O no hydrogen 3.037 N/A SER 201.A OG SER 203.A O no hydrogen 2.635 N/A SER 203.A N SER 201.A OG no hydrogen 3.374 N/A ILE 205.A N ALA 196.A O no hydrogen 2.739 N/A LYS 207.A N CYS 194.A O no hydrogen 2.897 N/A SER 208.A OG THR 193.A OG1 no hydrogen 2.710 N/A PHE 209.A N TYR 192.A O no hydrogen 3.125 N/A ARG 211.A N ASN 190.A O no hydrogen 2.731 N/A ARG 211.A NH1 HIS 189.A O no hydrogen 2.614 N/A