Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2bs3_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N SER 5.A OG no hydrogen 2.995 N/A SER 5.A N THR 2.A OG1 no hydrogen 3.237 N/A SER 5.A OG THR 2.A O no hydrogen 2.920 N/A ILE 6.A N THR 2.A O no hydrogen 3.110 N/A LEU 7.A N ASN 3.A O no hydrogen 2.928 N/A GLU 8.A N GLU 4.A O no hydrogen 2.965 N/A SER 9.A N SER 5.A O no hydrogen 2.961 N/A SER 9.A OG SER 5.A O no hydrogen 2.922 N/A TYR 10.A N ILE 6.A O no hydrogen 2.951 N/A SER 11.A N LEU 7.A O no hydrogen 2.917 N/A SER 11.A OG LEU 7.A O no hydrogen 2.633 N/A GLY 12.A N GLU 8.A O no hydrogen 2.872 N/A VAL 13.A N SER 11.A OG no hydrogen 3.100 N/A THR 14.A N LYS 18.A O no hydrogen 2.819 N/A THR 14.A OG1 LYS 18.A O no hydrogen 3.300 N/A GLU 16.A N.A THR 14.A OG1 no hydrogen 3.361 N/A GLU 16.A N.B THR 14.A OG1 no hydrogen 3.360 N/A ARG 17.A N THR 14.A O no hydrogen 2.648 N/A LYS 18.A N THR 14.A OG1 no hydrogen 3.301 N/A ARG 21.A NH1 LYS 19.A O no hydrogen 2.801 N/A MET 22.A N SER 20.A OG no hydrogen 2.938 N/A LYS 25.A N ARG 21.A O no hydrogen 3.153 N/A LEU 26.A N MET 22.A O no hydrogen 2.839 N/A ASP 27.A N PRO 23.A O no hydrogen 3.069 N/A TRP 28.A N ALA 24.A O no hydrogen 2.971 N/A TRP 29.A N LYS 25.A O no hydrogen 2.921 N/A GLN 30.A N LEU 26.A O no hydrogen 2.947 N/A SER 31.A N ASP 27.A O no hydrogen 3.225 N/A SER 31.A OG ASP 27.A O no hydrogen 3.568 N/A ALA 32.A N TRP 28.A O no hydrogen 2.835 N/A THR 33.A N TRP 29.A O no hydrogen 2.936 N/A THR 33.A OG1 TRP 29.A O no hydrogen 2.966 N/A THR 33.A OG1 GLN 30.A O no hydrogen 2.890 N/A THR 33.A OG1 HIS 93.A ND1 no hydrogen 3.258 N/A GLY 34.A N GLN 30.A O no hydrogen 3.064 N/A LEU 35.A N SER 31.A O no hydrogen 2.810 N/A PHE 36.A N ALA 32.A O no hydrogen 2.968 N/A LEU 37.A N THR 33.A O no hydrogen 3.092 N/A GLY 38.A N GLY 34.A O no hydrogen 2.918 N/A LEU 39.A N LEU 35.A O no hydrogen 2.977 N/A PHE 40.A N PHE 36.A O no hydrogen 2.839 N/A MET 41.A N LEU 37.A O no hydrogen 2.977 N/A ILE 42.A N GLY 38.A O no hydrogen 3.402 N/A ILE 42.A N LEU 39.A O no hydrogen 2.936 N/A GLY 43.A N LEU 39.A O no hydrogen 3.215 N/A HIS 44.A N PHE 40.A O no hydrogen 2.813 N/A MET 45.A N MET 41.A O no hydrogen 2.927 N/A PHE 46.A N ILE 42.A O no hydrogen 3.313 N/A PHE 47.A N.A GLY 43.A O no hydrogen 3.018 N/A PHE 47.A N.B GLY 43.A O no hydrogen 3.003 N/A VAL 48.A N HIS 44.A O no hydrogen 2.990 N/A SER 49.A N MET 45.A O no hydrogen 3.251 N/A SER 49.A N PHE 46.A O no hydrogen 3.299 N/A SER 49.A OG MET 45.A O no hydrogen 2.936 N/A SER 49.A OG PHE 46.A O no hydrogen 2.582 N/A THR 50.A N PHE 47.A O.A no hydrogen 3.057 N/A THR 50.A N PHE 47.A O.B no hydrogen 3.011 N/A THR 50.A OG1 PHE 47.A O.A no hydrogen 2.606 N/A THR 50.A OG1 PHE 47.A O.B no hydrogen 2.612 N/A LEU 52.A N SER 49.A O no hydrogen 2.872 N/A LEU 53.A N THR 50.A O no hydrogen 2.791 N/A GLY 54.A N ILE 51.A O no hydrogen 3.277 N/A VAL 57.A N GLY 54.A O no hydrogen 2.975 N/A MET 58.A N GLY 54.A O no hydrogen 3.302 N/A LEU 59.A N ASP 55.A O no hydrogen 2.915 N/A TRP 60.A N ASN 56.A O no hydrogen 3.013 N/A VAL 61.A N VAL 57.A O no hydrogen 2.967 N/A THR 62.A N MET 58.A O no hydrogen 2.711 N/A THR 62.A OG1 MET 58.A O no hydrogen 2.626 N/A LYS 63.A N LEU 59.A O no hydrogen 3.085 N/A LYS 64.A N TRP 60.A O no hydrogen 3.237 N/A LYS 64.A N VAL 61.A O no hydrogen 3.126 N/A PHE 65.A N VAL 61.A O no hydrogen 3.352 N/A GLU 66.A N LYS 63.A O no hydrogen 3.318 N/A LEU 67.A N LYS 64.A O no hydrogen 2.875 N/A ILE 70.A N LEU 67.A O no hydrogen 3.245 N/A PHE 71.A N LEU 67.A O no hydrogen 2.949 N/A LYS 75.A N GLU 66.A O no hydrogen 2.928 N/A VAL 78.A N LYS 75.A O no hydrogen 2.986 N/A VAL 79.A N PRO 76.A O no hydrogen 2.856 N/A SER 80.A N PRO 76.A O no hydrogen 3.346 N/A SER 80.A OG MET 148.A O no hydrogen 2.898 N/A PHE 81.A N ILE 77.A O no hydrogen 3.177 N/A LEU 82.A N VAL 78.A O no hydrogen 3.098 N/A ALA 83.A N VAL 79.A O no hydrogen 2.781 N/A ALA 84.A N SER 80.A O no hydrogen 2.865 N/A PHE 85.A N PHE 81.A O no hydrogen 2.921 N/A VAL 86.A N LEU 82.A O no hydrogen 3.074 N/A PHE 87.A N ALA 83.A O no hydrogen 2.869 N/A ALA 88.A N ALA 84.A O no hydrogen 2.980 N/A VAL 89.A N PHE 85.A O no hydrogen 3.119 N/A PHE 90.A N VAL 86.A O no hydrogen 2.862 N/A ILE 91.A N PHE 87.A O no hydrogen 2.914 N/A ALA 92.A N ALA 88.A O no hydrogen 2.900 N/A HIS 93.A N VAL 89.A O no hydrogen 2.818 N/A HIS 93.A ND1 THR 33.A OG1 no hydrogen 3.258 N/A ALA 94.A N PHE 90.A O no hydrogen 3.059 N/A PHE 95.A N ILE 91.A O no hydrogen 2.938 N/A LEU 96.A N ALA 92.A O no hydrogen 3.078 N/A ALA 97.A N HIS 93.A O no hydrogen 2.750 N/A MET 98.A N ALA 94.A O no hydrogen 2.977 N/A ARG 99.A N LEU 96.A O no hydrogen 3.322 N/A ARG 99.A NE LEU 96.A O no hydrogen 2.693 N/A ARG 99.A NH2 GLN 30.A OE1 no hydrogen 3.057 N/A LYS 100.A N ALA 97.A O no hydrogen 2.930 N/A LYS 100.A NZ GLN 30.A OE1 no hydrogen 2.999 N/A PHE 101.A N MET 98.A O no hydrogen 3.166 N/A GLN 107.A N ASN 104.A OD1 no hydrogen 2.813 N/A TYR 108.A N ASN 104.A O no hydrogen 2.920 N/A LEU 109.A N TYR 105.A O no hydrogen 2.764 N/A THR 110.A N ARG 106.A O no hydrogen 2.965 N/A THR 110.A OG1 ARG 106.A O no hydrogen 2.732 N/A THR 110.A OG1 GLN 107.A O no hydrogen 3.298 N/A PHE 111.A N GLN 107.A O no hydrogen 2.964 N/A LYS 112.A N TYR 108.A O no hydrogen 2.960 N/A THR 113.A N LEU 109.A O no hydrogen 2.938 N/A THR 113.A OG1 LEU 109.A O no hydrogen 2.852 N/A HIS 114.A N THR 110.A O no hydrogen 2.967 N/A LYS 115.A N PHE 111.A O no hydrogen 2.809 N/A LYS 115.A NZ ASP 116.A OD1 no hydrogen 2.754 N/A ASP 116.A N LYS 112.A O no hydrogen 3.143 N/A LEU 117.A N THR 113.A O no hydrogen 2.989 N/A MET 118.A N HIS 114.A O no hydrogen 2.829 N/A ARG 119.A N LYS 115.A O no hydrogen 3.155 N/A HIS 120.A ND1 THR 123.A OG1 no hydrogen 2.874 N/A THR 123.A N HIS 120.A ND1 no hydrogen 3.272 N/A THR 123.A N HIS 120.A O no hydrogen 3.106 N/A THR 123.A OG1 HIS 120.A ND1 no hydrogen 2.874 N/A THR 124.A N HIS 120.A O no hydrogen 2.931 N/A THR 124.A OG1 HIS 120.A O no hydrogen 3.157 N/A LEU 125.A N GLY 121.A O no hydrogen 2.875 N/A TRP 126.A N THR 123.A O no hydrogen 3.089 N/A TRP 127.A N THR 123.A O no hydrogen 3.279 N/A ILE 128.A N THR 124.A O no hydrogen 3.111 N/A GLN 129.A N LEU 125.A O no hydrogen 2.962 N/A ALA 130.A N TRP 126.A O no hydrogen 2.889 N/A MET 131.A N TRP 127.A O no hydrogen 2.869 N/A THR 132.A N ILE 128.A O no hydrogen 2.886 N/A THR 132.A OG1 ILE 128.A O no hydrogen 2.778 N/A THR 132.A OG1 GLN 129.A O no hydrogen 3.079 N/A THR 132.A OG1 HIS 182.A ND1 no hydrogen 2.856 N/A GLY 133.A N GLN 129.A O no hydrogen 2.926 N/A PHE 134.A N ALA 130.A O no hydrogen 2.976 N/A ALA 135.A N MET 131.A O no hydrogen 3.012 N/A MET 136.A N THR 132.A O no hydrogen 3.041 N/A PHE 137.A N PHE 134.A O no hydrogen 3.236 N/A PHE 138.A N ALA 135.A O no hydrogen 3.185 N/A LEU 139.A N ALA 135.A O no hydrogen 3.172 N/A GLY 140.A N MET 136.A O no hydrogen 2.940 N/A SER 141.A OG PHE 137.A O no hydrogen 2.617 N/A LEU 144.A N GLY 140.A O no hydrogen 2.983 N/A TYR 145.A N SER 141.A O no hydrogen 3.078 N/A ILE 146.A N VAL 142.A O no hydrogen 3.342 N/A MET 147.A N HIS 143.A O no hydrogen 3.053 N/A MET 148.A N LEU 144.A O no hydrogen 3.108 N/A THR 149.A N TYR 145.A O no hydrogen 2.926 N/A THR 149.A N ILE 146.A O no hydrogen 3.207 N/A THR 149.A OG1 TYR 145.A O no hydrogen 2.826 N/A GLN 150.A N ILE 146.A O no hydrogen 2.720 N/A GLN 152.A N GLN 152.A OE1 no hydrogen 2.624 N/A THR 153.A N GLN 150.A O no hydrogen 3.077 N/A THR 153.A OG1 GLN 150.A O no hydrogen 2.535 N/A ILE 154.A N PRO 151.A O no hydrogen 3.328 N/A GLY 155.A N SER 159.A OG no hydrogen 2.908 N/A VAL 157.A N ASP 249.A OD2 no hydrogen 2.877 N/A SER 158.A N ASP 249.A OD2 no hydrogen 2.621 N/A SER 158.A OG TYR 245.A O no hydrogen 2.997 N/A SER 158.A OG LYS 246.A O no hydrogen 2.755 N/A SER 158.A OG ASP 249.A OD2 no hydrogen 3.185 N/A SER 159.A N GLY 155.A O no hydrogen 2.880 N/A SER 159.A OG GLY 155.A O no hydrogen 2.953 N/A SER 160.A OG PRO 156.A O no hydrogen 2.793 N/A SER 160.A OG TYR 231.A O no hydrogen 3.455 N/A PHE 161.A N VAL 157.A O no hydrogen 3.083 N/A ARG 162.A N SER 158.A O no hydrogen 3.175 N/A ARG 162.A NH1 THR 153.A OG1 no hydrogen 2.864 N/A ARG 162.A NH2 THR 153.A O no hydrogen 3.260 N/A MET 163.A N SER 159.A O no hydrogen 2.987 N/A VAL 164.A N SER 160.A O no hydrogen 3.043 N/A GLU 166.A N PHE 161.A O no hydrogen 3.308 N/A TRP 167.A N VAL 164.A O no hydrogen 3.105 N/A MET 168.A N ARG 162.A O no hydrogen 3.250 N/A MET 168.A N MET 163.A O no hydrogen 3.229 N/A TRP 169.A N MET 163.A O no hydrogen 2.983 N/A TYR 172.A N MET 168.A O no hydrogen 2.943 N/A TYR 172.A OH HIS 143.A ND1 no hydrogen 3.101 N/A LEU 173.A N TRP 169.A O no hydrogen 2.869 N/A VAL 174.A N PRO 170.A O no hydrogen 3.316 N/A LEU 175.A N LEU 171.A O no hydrogen 2.863 N/A LEU 176.A N TYR 172.A O no hydrogen 2.830 N/A ALA 178.A N VAL 174.A O no hydrogen 2.996 N/A VAL 179.A N LEU 175.A O no hydrogen 2.882 N/A GLN 180.A N.A LEU 176.A O no hydrogen 3.194 N/A GLN 180.A N.B LEU 176.A O no hydrogen 3.191 N/A LEU 181.A N PHE 177.A O no hydrogen 2.979 N/A HIS 182.A N ALA 178.A O no hydrogen 2.988 N/A HIS 182.A ND1 THR 132.A OG1 no hydrogen 2.856 N/A GLY 183.A N VAL 179.A O no hydrogen 2.734 N/A SER 184.A N GLN 180.A O.A no hydrogen 3.034 N/A SER 184.A N GLN 180.A O.B no hydrogen 3.102 N/A SER 184.A OG GLN 180.A O.A no hydrogen 2.718 N/A SER 184.A OG GLN 180.A O.B no hydrogen 2.714 N/A SER 184.A OG LEU 181.A O no hydrogen 3.354 N/A SER 184.A OG SER 217.A OG no hydrogen 2.633 N/A VAL 185.A N LEU 181.A O no hydrogen 3.088 N/A GLY 186.A N HIS 182.A O no hydrogen 2.902 N/A LEU 187.A N GLY 183.A O no hydrogen 2.958 N/A TYR 188.A N SER 184.A O no hydrogen 3.016 N/A TYR 188.A OH ASP 122.A OD2 no hydrogen 2.647 N/A ARG 189.A N VAL 185.A O no hydrogen 2.832 N/A ARG 189.A NE GLN 129.A OE1 no hydrogen 2.598 N/A ARG 189.A NH1 ASP 122.A O no hydrogen 3.221 N/A ARG 189.A NH2 ASP 122.A O no hydrogen 2.854 N/A ARG 189.A NH2 GLN 129.A OE1 no hydrogen 3.108 N/A LEU 190.A N GLY 186.A O no hydrogen 2.945 N/A ALA 191.A N LEU 187.A O no hydrogen 3.170 N/A VAL 192.A N TYR 188.A O no hydrogen 3.234 N/A LYS 193.A N ARG 189.A O no hydrogen 2.694 N/A TRP 194.A N LEU 190.A O no hydrogen 3.101 N/A TRP 194.A NE1 SER 31.A OG no hydrogen 3.040 N/A ASP 198.A N GLY 195.A O no hydrogen 3.302 N/A LYS 204.A N THR 201.A O no hydrogen 2.989 N/A THR 205.A N THR 201.A O no hydrogen 3.096 N/A THR 205.A OG1 PHE 197.A O no hydrogen 3.221 N/A THR 205.A OG1 ASP 198.A O no hydrogen 3.014 N/A THR 205.A OG1 THR 201.A O no hydrogen 3.453 N/A ARG 206.A N PRO 202.A O no hydrogen 2.919 N/A ARG 206.A NE TYR 188.A OH no hydrogen 3.267 N/A ARG 206.A NH2 ASP 122.A OD2 no hydrogen 2.670 N/A ALA 207.A N ASP 203.A O no hydrogen 3.058 N/A ASN 208.A N LYS 204.A O no hydrogen 2.910 N/A LEU 209.A N THR 205.A O no hydrogen 2.857 N/A LYS 210.A N ARG 206.A O no hydrogen 2.962 N/A LYS 211.A N ALA 207.A O no hydrogen 3.325 N/A LEU 212.A N ASN 208.A O no hydrogen 2.904 N/A LYS 213.A N LEU 209.A O no hydrogen 2.885 N/A THR 214.A N LYS 210.A O no hydrogen 3.136 N/A THR 214.A OG1 LYS 210.A O no hydrogen 3.171 N/A LEU 215.A N LYS 211.A O no hydrogen 2.965 N/A MET 216.A N LEU 212.A O no hydrogen 2.866 N/A SER 217.A N LYS 213.A O no hydrogen 3.072 N/A SER 217.A OG SER 184.A OG no hydrogen 2.633 N/A SER 217.A OG LYS 213.A O no hydrogen 2.963 N/A ALA 218.A N THR 214.A O no hydrogen 2.918 N/A PHE 219.A N LEU 215.A O no hydrogen 2.851 N/A LEU 220.A N MET 216.A O no hydrogen 2.952 N/A ILE 221.A N SER 217.A O no hydrogen 2.881 N/A VAL 222.A N ALA 218.A O no hydrogen 2.982 N/A LEU 223.A N PHE 219.A O no hydrogen 2.886 N/A GLY 224.A N LEU 220.A O no hydrogen 2.823 N/A LEU 225.A N ILE 221.A O no hydrogen 2.817 N/A LEU 226.A N VAL 222.A O no hydrogen 2.901 N/A THR 227.A N LEU 223.A O no hydrogen 2.983 N/A THR 227.A OG1 LEU 223.A O no hydrogen 3.092 N/A PHE 228.A N GLY 224.A O no hydrogen 2.965 N/A GLY 229.A N LEU 225.A O no hydrogen 2.949 N/A ALA 230.A N LEU 226.A O no hydrogen 2.968 N/A TYR 231.A N THR 227.A O no hydrogen 3.167 N/A TYR 231.A OH VAL 48.A O no hydrogen 2.837 N/A VAL 232.A N PHE 228.A O no hydrogen 2.982 N/A LYS 233.A N GLY 229.A O no hydrogen 2.750 N/A LYS 234.A N ALA 230.A O no hydrogen 3.122 N/A LYS 234.A NZ ASP 55.A OD1 no hydrogen 2.860 N/A LYS 234.A NZ ASP 55.A OD2 no hydrogen 3.527 N/A GLY 235.A N TYR 231.A O no hydrogen 2.987 N/A LEU 236.A N VAL 232.A O no hydrogen 2.936 N/A LEU 236.A N LYS 233.A O no hydrogen 3.127 N/A GLU 237.A N LYS 234.A O no hydrogen 3.064 N/A GLN 238.A N GLY 235.A O no hydrogen 3.445 N/A GLN 238.A NE2 VAL 157.A O no hydrogen 2.970 N/A THR 239.A N GLU 237.A O no hydrogen 2.957 N/A ASP 240.A N TYR 245.A OH no hydrogen 2.866 N/A ASN 242.A N ASP 240.A OD1 no hydrogen 2.636 N/A ILE 243.A N ASP 240.A O no hydrogen 3.136 N/A TYR 245.A OH ASP 240.A O no hydrogen 3.415 N/A LYS 246.A NZ GLN 150.A OE1 no hydrogen 3.543 N/A LYS 246.A NZ GLU 166.A OE2 no hydrogen 2.505 N/A PHE 248.A N TYR 245.A O no hydrogen 2.938 N/A LYS 251.A N TYR 247.A O no hydrogen 3.063 N/A ARG 252.A N TYR 250.A O no hydrogen 2.731 N/A HIS 255.A N TYR 250.A O no hydrogen 3.519 N/A