Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8qub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PRO 1.A N GLN 13.A O no hydrogen 2.833 N/A PRO 1.A N ASP 51.A OD2 no hydrogen 2.807 N/A ILE 2.A N GLY 46.A O no hydrogen 2.799 N/A VAL 3.A N VAL 11.A O no hydrogen 2.926 N/A ASN 5.A N GLN 9.A O no hydrogen 3.198 N/A GLN 7.A N ASN 5.A OD1 no hydrogen 2.903 N/A GLN 9.A N ASN 5.A OD1 no hydrogen 3.185 N/A VAL 11.A N VAL 3.A O no hydrogen 2.884 N/A GLN 13.A N PRO 1.A O no hydrogen 2.892 N/A SER 16.A OG THR 19.A OG1 no hydrogen 2.969 N/A THR 19.A N SER 16.A OG no hydrogen 2.962 N/A THR 19.A OG1 SER 16.A OG no hydrogen 2.969 N/A LEU 20.A N SER 16.A O no hydrogen 2.989 N/A ASN 21.A N PRO 17.A O no hydrogen 2.977 N/A ALA 22.A N ARG 18.A O no hydrogen 2.919 N/A TRP 23.A N THR 19.A O no hydrogen 3.101 N/A TRP 23.A NE1 MET 55.A O no hydrogen 2.939 N/A VAL 24.A N LEU 20.A O no hydrogen 3.232 N/A LYS 25.A N ASN 21.A O no hydrogen 2.974 N/A LYS 25.A NZ GLU 28.A OE1 no hydrogen 3.122 N/A VAL 26.A N ALA 22.A O no hydrogen 2.917 N/A VAL 27.A N TRP 23.A O no hydrogen 3.148 N/A GLU 28.A N VAL 24.A O no hydrogen 2.991 N/A GLU 29.A N LYS 25.A O no hydrogen 2.875 N/A LYS 30.A N VAL 26.A O no hydrogen 2.842 N/A LYS 30.A NZ GLU 35.A OE2 no hydrogen 2.893 N/A ALA 31.A N VAL 27.A O no hydrogen 2.897 N/A SER 33.A N LYS 30.A O no hydrogen 3.035 N/A SER 33.A OG GLU 35.A OE1 no hydrogen 2.616 N/A SER 33.A OG GLU 35.A OE2 no hydrogen 3.351 N/A GLU 35.A N GLU 35.A OE1 no hydrogen 2.772 N/A VAL 36.A N SER 33.A O no hydrogen 2.968 N/A ILE 37.A N PRO 34.A O no hydrogen 3.189 N/A PHE 40.A N VAL 36.A O no hydrogen 2.844 N/A SER 41.A N ILE 37.A O no hydrogen 2.942 N/A ALA 42.A N PRO 38.A O no hydrogen 3.031 N/A LEU 43.A N MET 39.A O no hydrogen 2.860 N/A SER 44.A N PHE 40.A O no hydrogen 2.939 N/A SER 44.A OG PHE 40.A O no hydrogen 2.807 N/A SER 44.A OG SER 41.A O no hydrogen 3.215 N/A CYS 45.A N ALA 42.A O no hydrogen 3.225 N/A ALA 47.A N SER 44.A O no hydrogen 3.010 N/A THR 48.A N ASP 51.A OD2 no hydrogen 3.154 N/A GLN 50.A N GLN 114.A OE1 no hydrogen 2.976 N/A ASP 51.A N THR 48.A OG1 no hydrogen 2.970 N/A LEU 52.A N THR 48.A O no hydrogen 2.978 N/A ASN 53.A N PRO 49.A O no hydrogen 2.932 N/A ASN 53.A ND2 ALA 105.A O no hydrogen 2.800 N/A THR 54.A N GLN 50.A O no hydrogen 2.896 N/A THR 54.A OG1 GLN 50.A O no hydrogen 3.167 N/A MET 55.A N ASP 51.A O no hydrogen 2.966 N/A LEU 56.A N LEU 52.A O no hydrogen 2.979 N/A ASN 57.A N ASN 53.A O no hydrogen 2.780 N/A THR 58.A N THR 54.A O no hydrogen 2.937 N/A THR 58.A OG1 THR 54.A O no hydrogen 3.200 N/A THR 58.A OG1 MET 55.A O no hydrogen 2.950 N/A VAL 59.A N LEU 56.A O no hydrogen 3.255 N/A GLN 63.A NE2 GLY 61.A O no hydrogen 2.921 N/A MET 66.A N HIS 62.A O no hydrogen 2.964 N/A GLN 67.A N GLN 63.A O no hydrogen 2.985 N/A MET 68.A N ALA 64.A O no hydrogen 2.994 N/A LEU 69.A N ALA 65.A O no hydrogen 2.890 N/A LYS 70.A N MET 66.A O no hydrogen 3.010 N/A GLU 71.A N GLN 67.A O no hydrogen 3.043 N/A THR 72.A N MET 68.A O no hydrogen 3.073 N/A THR 72.A OG1 MET 68.A O no hydrogen 3.476 N/A ILE 73.A N LEU 69.A O no hydrogen 2.927 N/A ASN 74.A N LYS 70.A O no hydrogen 2.788 N/A GLU 75.A N GLU 71.A O no hydrogen 3.037 N/A GLU 76.A N THR 72.A O no hydrogen 3.008 N/A ALA 77.A N ILE 73.A O no hydrogen 2.849 N/A ALA 78.A N ASN 74.A O no hydrogen 2.919 N/A GLU 79.A N GLU 75.A O no hydrogen 3.097 N/A TRP 80.A N GLU 76.A O no hydrogen 2.839 N/A TRP 80.A NE1 PRO 99.A O no hydrogen 3.101 N/A ASP 81.A N ALA 77.A O no hydrogen 2.949 N/A ARG 82.A N ALA 78.A O no hydrogen 3.131 N/A ARG 82.A NE GLU 79.A OE1 no hydrogen 2.777 N/A ARG 82.A NE GLU 79.A OE2 no hydrogen 3.451 N/A ARG 82.A NH2 GLU 79.A OE2 no hydrogen 2.814 N/A LEU 83.A N GLU 79.A O no hydrogen 3.053 N/A HIS 84.A N TRP 80.A O no hydrogen 2.732 N/A GLN 95.A N ALA 92.A O no hydrogen 2.878 N/A GLN 95.A NE2 PRO 93.A O no hydrogen 2.958 N/A ARG 97.A NE GLU 113.A OE2 no hydrogen 2.911 N/A ARG 97.A NH1 ASP 103.A OD2 no hydrogen 2.772 N/A ARG 97.A NH2 ASP 103.A OD1 no hydrogen 2.975 N/A ARG 97.A NH2 GLU 113.A OE1 no hydrogen 3.026 N/A ARG 97.A NH2 GLU 113.A OE2 no hydrogen 3.475 N/A ARG 100.A N ASP 103.A OD2 no hydrogen 2.881 N/A GLY 101.A N ASP 81.A OD1 no hydrogen 2.755 N/A SER 102.A OG THR 108.A OG1 no hydrogen 2.611 N/A ILE 104.A N ARG 100.A O no hydrogen 3.107 N/A ALA 105.A N GLY 101.A O no hydrogen 2.945 N/A GLY 106.A N ASP 103.A O no hydrogen 3.099 N/A THR 107.A N SER 102.A O no hydrogen 2.970 N/A THR 107.A OG1 SER 102.A O no hydrogen 3.131 N/A THR 108.A N SER 102.A O no hydrogen 3.109 N/A THR 108.A OG1 SER 102.A OG no hydrogen 2.611 N/A THR 108.A OG1 ASP 103.A OD1 no hydrogen 2.634 N/A SER 109.A OG ASP 103.A O no hydrogen 2.749 N/A THR 110.A N GLU 113.A OE1 no hydrogen 2.956 N/A GLN 112.A NE2 GLN 112.A O no hydrogen 3.552 N/A GLU 113.A N THR 110.A OG1 no hydrogen 3.009 N/A GLN 114.A N THR 110.A O no hydrogen 2.973 N/A GLN 114.A NE2 SER 109.A O no hydrogen 3.489 N/A GLN 114.A NE2 SER 109.A OG no hydrogen 3.037 N/A ILE 115.A N LEU 111.A O no hydrogen 2.891 N/A GLY 116.A N GLN 112.A O no hydrogen 2.921 N/A TRP 117.A N GLU 113.A O no hydrogen 2.972 N/A TRP 117.A NE1 ARG 97.A O no hydrogen 2.823 N/A MET 118.A N GLN 114.A O no hydrogen 2.944 N/A THR 119.A N ILE 115.A O no hydrogen 2.940 N/A THR 119.A OG1 ILE 115.A O no hydrogen 2.714 N/A HIS 120.A ND1 PRO 122.A O no hydrogen 2.934 N/A ILE 124.A N TRP 117.A O no hydrogen 2.860 N/A VAL 126.A N ILE 124.A O no hydrogen 2.846 N/A ILE 129.A N PRO 125.A O no hydrogen 2.967 N/A TYR 130.A N VAL 126.A O no hydrogen 2.935 N/A TYR 130.A OH ASN 53.A OD1 no hydrogen 2.600 N/A LYS 131.A N GLY 127.A O no hydrogen 2.918 N/A LYS 131.A NZ SER 41.A O no hydrogen 3.077 N/A LYS 131.A NZ SER 44.A O no hydrogen 3.118 N/A LYS 131.A NZ SER 44.A OG no hydrogen 3.095 N/A ARG 132.A N GLU 128.A O no hydrogen 3.005 N/A TRP 133.A N ILE 129.A O no hydrogen 3.267 N/A ILE 134.A N TYR 130.A O no hydrogen 2.925 N/A ILE 135.A N LYS 131.A O no hydrogen 2.902 N/A LEU 136.A N ARG 132.A O no hydrogen 2.932 N/A GLY 137.A N TRP 133.A O no hydrogen 2.970 N/A LEU 138.A N ILE 134.A O no hydrogen 2.816 N/A ASN 139.A N ILE 135.A O no hydrogen 2.819 N/A LYS 140.A N LEU 136.A O no hydrogen 3.345 N/A LYS 140.A NZ THR 72.A OG1 no hydrogen 3.200 N/A ILE 141.A N GLY 137.A O no hydrogen 3.171 N/A VAL 142.A N LEU 138.A O no hydrogen 2.803 N/A ARG 143.A N ASN 139.A O no hydrogen 3.065 N/A MET 144.A N LYS 140.A O no hydrogen 2.946 N/A TYR 145.A N ILE 141.A O no hydrogen 2.904 N/A SER 146.A N VAL 142.A O no hydrogen 3.030 N/A SER 146.A OG GLU 175.A OE2 no hydrogen 2.677 N/A LEU 151.A N SER 149.A OG no hydrogen 3.022 N/A ASP 152.A N SER 149.A O no hydrogen 2.914 N/A ILE 153.A N ILE 150.A O no hydrogen 3.199 N/A GLN 155.A N ASN 193.A O no hydrogen 2.822 N/A GLN 155.A NE2 GLU 159.A O no hydrogen 2.911 N/A GLY 156.A N GLU 159.A OE1 no hydrogen 2.930 N/A GLU 159.A N GLY 156.A O no hydrogen 3.075 N/A ASP 163.A N PRO 160.A O no hydrogen 2.998 N/A TYR 164.A N PRO 160.A O no hydrogen 3.168 N/A TYR 164.A OH LEU 190.A O no hydrogen 2.598 N/A VAL 165.A N PHE 161.A O no hydrogen 2.818 N/A ASP 166.A N ARG 162.A O no hydrogen 2.963 N/A ARG 167.A N ASP 163.A O no hydrogen 3.114 N/A ARG 167.A NE GLU 159.A OE2 no hydrogen 2.809 N/A ARG 167.A NH2 ARG 154.A O no hydrogen 2.774 N/A ARG 167.A NH2 GLU 159.A OE1 no hydrogen 2.826 N/A ARG 167.A NH2 GLU 159.A OE2 no hydrogen 3.430 N/A PHE 168.A N TYR 164.A O no hydrogen 2.808 N/A TYR 169.A N VAL 165.A O no hydrogen 2.966 N/A TYR 169.A OH LYS 182.A O no hydrogen 3.169 N/A LYS 170.A N ASP 166.A O no hydrogen 2.993 N/A THR 171.A N ARG 167.A O no hydrogen 2.948 N/A THR 171.A OG1 ARG 167.A O no hydrogen 2.964 N/A LEU 172.A N PHE 168.A O no hydrogen 3.006 N/A ARG 173.A N TYR 169.A O no hydrogen 3.012 N/A ALA 174.A N LYS 170.A O no hydrogen 3.227 N/A GLU 175.A N THR 171.A O no hydrogen 2.862 N/A GLN 176.A N LEU 172.A O no hydrogen 2.930 N/A ALA 177.A N LEU 172.A O no hydrogen 3.170 N/A VAL 181.A N SER 178.A OG no hydrogen 3.427 N/A LYS 182.A N SER 178.A O no hydrogen 3.032 N/A ASN 183.A N GLN 179.A O no hydrogen 2.707 N/A ALA 184.A N GLU 180.A O no hydrogen 2.750 N/A ALA 185.A N VAL 181.A O no hydrogen 2.622 N/A GLU 187.A N ALA 184.A O no hydrogen 3.182 N/A THR 188.A N ALA 185.A O no hydrogen 3.182 N/A LEU 189.A N THR 188.A OG1 no hydrogen 2.601 N/A LEU 190.A N ALA 185.A O no hydrogen 2.874 N/A GLN 192.A N THR 188.A O no hydrogen 2.953 N/A ASN 193.A N LEU 189.A O no hydrogen 2.914 N/A ASN 193.A ND2 ILE 153.A O no hydrogen 2.807 N/A ALA 194.A N VAL 191.A O no hydrogen 3.140 N/A ASN 195.A N GLN 155.A OE1 no hydrogen 2.784 N/A ASN 195.A ND2 GLY 156.A O no hydrogen 3.086 N/A CYS 198.A N ASN 195.A OD1 no hydrogen 2.943 N/A LYS 199.A N ASN 195.A O no hydrogen 2.798 N/A LYS 199.A NZ GLN 192.A O no hydrogen 2.955 N/A LYS 199.A NZ GLN 192.A OE1 no hydrogen 2.830 N/A THR 200.A N PRO 196.A O no hydrogen 3.122 N/A THR 200.A OG1 PRO 196.A O no hydrogen 3.099 N/A ILE 201.A N ASP 197.A O no hydrogen 3.348 N/A LEU 202.A N CYS 198.A O no hydrogen 2.811 N/A LYS 203.A N LYS 199.A O no hydrogen 2.832 N/A ALA 204.A N THR 200.A O no hydrogen 3.189 N/A LEU 205.A N LEU 202.A O no hydrogen 2.994 N/A GLY 208.A N GLU 187.A OE2 no hydrogen 2.987 N/A THR 210.A N GLU 213.A OE1 no hydrogen 3.054 N/A GLU 213.A N THR 210.A O no hydrogen 3.153 N/A GLU 213.A N THR 210.A OG1 no hydrogen 3.031 N/A MET 214.A N THR 210.A O no hydrogen 2.997 N/A MET 215.A N LEU 211.A O no hydrogen 2.780 N/A THR 216.A N GLU 212.A O no hydrogen 2.961 N/A THR 216.A OG1 GLU 212.A O no hydrogen 2.881 N/A ALA 217.A N GLU 213.A O no hydrogen 2.949 N/A CYS 218.A N MET 214.A O no hydrogen 3.090 N/A CYS 218.A SG CYS 198.A O no hydrogen 3.663 N/A CYS 218.A SG MET 214.A O no hydrogen 3.887 N/A GLN 219.A N THR 216.A O no hydrogen 3.150 N/A