Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8k5r_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 8.A N GLN 11.A OE1 no hydrogen 3.116 N/A ARG 9.A NH2 GLU 233.A OE1 no hydrogen 3.178 N/A GLN 11.A N THR 8.A OG1 no hydrogen 3.159 N/A LEU 12.A N THR 8.A O no hydrogen 3.120 N/A GLU 13.A N ARG 9.A O no hydrogen 3.008 N/A ASN 14.A N GLU 10.A O no hydrogen 3.044 N/A SER 15.A OG GLU 27.A OE1 no hydrogen 3.287 N/A SER 15.A OG GLU 27.A OE2 no hydrogen 2.624 N/A SER 17.A OG GLU 27.A OE2 no hydrogen 2.939 N/A ARG 18.A N SER 15.A O no hydrogen 2.983 N/A ARG 18.A NE GLU 13.A O no hydrogen 2.524 N/A ARG 18.A NH1 GLU 27.A OE1 no hydrogen 3.565 N/A ARG 18.A NH2 VAL 22.A O no hydrogen 3.109 N/A GLY 21.A N ARG 18.A O no hydrogen 2.811 N/A GLU 27.A N ASP 23.A O no hydrogen 3.256 N/A LEU 28.A N PRO 24.A O no hydrogen 3.466 N/A SER 29.A N ASP 25.A O no hydrogen 3.207 N/A TYR 30.A N LYS 26.A O no hydrogen 2.876 N/A ARG 31.A N GLU 27.A O no hydrogen 2.735 N/A ARG 31.A NH1 HIS 60.A ND1 no hydrogen 3.193 N/A ARG 31.A NH1 HIS 60.A O no hydrogen 2.943 N/A ARG 31.A NH2 GLU 27.A OE2 no hydrogen 3.343 N/A GLN 32.A N LEU 28.A O no hydrogen 2.612 N/A GLN 32.A NE2 LEU 177.A O no hydrogen 3.063 N/A GLN 33.A N SER 29.A O no hydrogen 3.095 N/A ALA 34.A N ARG 31.A O no hydrogen 2.704 N/A ALA 35.A N ARG 31.A O no hydrogen 3.324 N/A ASN 36.A N GLN 32.A O no hydrogen 3.430 N/A LEU 37.A N GLN 33.A O no hydrogen 3.262 N/A LEU 38.A N ALA 34.A O no hydrogen 2.938 N/A GLN 39.A N ALA 35.A O no hydrogen 2.584 N/A GLN 39.A NE2 GLN 43.A OE1 no hydrogen 3.343 N/A GLN 39.A NE2 GLN 49.A OE1 no hydrogen 3.535 N/A ASP 40.A N ASN 36.A O no hydrogen 2.844 N/A MET 41.A N LEU 37.A O no hydrogen 2.708 N/A GLY 42.A N LEU 38.A O no hydrogen 2.908 N/A GLN 43.A N GLN 39.A O no hydrogen 2.935 N/A GLN 43.A N ASP 40.A O no hydrogen 3.102 N/A ARG 44.A N ASP 40.A O no hydrogen 3.256 N/A ARG 44.A N MET 41.A O no hydrogen 2.998 N/A ARG 44.A NE ASP 40.A OD1 no hydrogen 3.104 N/A LEU 45.A N GLY 42.A O no hydrogen 3.312 N/A ASN 46.A N GLN 43.A O no hydrogen 3.365 N/A VAL 47.A N GLY 42.A O no hydrogen 3.331 N/A SER 48.A N GLN 90.A OE1 no hydrogen 2.671 N/A SER 48.A OG THR 51.A OG1 no hydrogen 2.645 N/A SER 48.A OG GLN 90.A OE1 no hydrogen 3.270 N/A GLN 49.A NE2 GLN 39.A OE1 no hydrogen 3.106 N/A GLN 49.A NE2 GLN 49.A O no hydrogen 3.087 N/A GLN 49.A NE2 ASN 53.A OD1 no hydrogen 2.601 N/A THR 51.A N SER 48.A OG no hydrogen 2.750 N/A THR 51.A OG1 SER 48.A OG no hydrogen 2.645 N/A THR 51.A OG1 GLN 90.A OE1 no hydrogen 2.684 N/A ILE 52.A N SER 48.A O no hydrogen 3.299 N/A ASN 53.A N GLN 49.A O no hydrogen 2.724 N/A THR 54.A N LEU 50.A O no hydrogen 2.654 N/A THR 54.A OG1 LEU 50.A O no hydrogen 3.282 N/A THR 54.A OG1 HIS 145.A NE2 no hydrogen 2.785 N/A ALA 55.A N THR 51.A O no hydrogen 2.890 N/A ILE 56.A N ILE 52.A O no hydrogen 2.997 N/A VAL 57.A N ASN 53.A O no hydrogen 2.914 N/A TYR 58.A N THR 54.A O no hydrogen 3.178 N/A TYR 58.A OH LEU 141.A O no hydrogen 2.484 N/A MET 59.A N ALA 55.A O no hydrogen 3.445 N/A HIS 60.A N ILE 56.A O no hydrogen 2.941 N/A HIS 60.A NE2 LEU 175.A O no hydrogen 2.864 N/A ARG 61.A N VAL 57.A O no hydrogen 2.901 N/A PHE 62.A N TYR 58.A O no hydrogen 2.677 N/A TYR 63.A N MET 59.A O no hydrogen 3.058 N/A TYR 63.A OH PHE 71.A O no hydrogen 2.995 N/A MET 64.A N ARG 61.A O no hydrogen 2.967 N/A ILE 65.A N PHE 62.A O no hydrogen 2.949 N/A GLN 66.A N PHE 62.A O no hydrogen 2.992 N/A SER 67.A OG THR 69.A OG1 no hydrogen 2.760 N/A THR 69.A N SER 67.A OG no hydrogen 3.275 N/A THR 69.A OG1 SER 67.A OG no hydrogen 2.760 N/A ARG 70.A N SER 67.A O no hydrogen 2.870 N/A PHE 71.A N SER 67.A O no hydrogen 2.738 N/A VAL 76.A N PRO 72.A O no hydrogen 3.236 N/A ALA 77.A N GLY 73.A O no hydrogen 3.055 N/A ALA 79.A N VAL 76.A O no hydrogen 3.011 N/A ALA 80.A N VAL 76.A O no hydrogen 2.884 N/A LEU 81.A N ALA 77.A O no hydrogen 2.888 N/A PHE 82.A N PRO 78.A O no hydrogen 3.107 N/A LEU 83.A N ALA 79.A O no hydrogen 2.929 N/A ALA 84.A N ALA 80.A O no hydrogen 2.988 N/A ALA 85.A N LEU 81.A O no hydrogen 2.638 N/A LYS 86.A N PHE 82.A O no hydrogen 3.378 N/A LYS 86.A NZ GLU 130.A OE1 no hydrogen 2.757 N/A LYS 86.A NZ GLU 130.A OE2 no hydrogen 3.010 N/A VAL 87.A N LEU 83.A O no hydrogen 2.709 N/A GLU 88.A N ALA 84.A O no hydrogen 2.752 N/A GLY 89.A N LYS 86.A O no hydrogen 3.374 N/A GLN 90.A N ALA 85.A O no hydrogen 2.826 N/A LYS 92.A NZ LEU 45.A O no hydrogen 3.189 N/A VAL 97.A N LYS 93.A O no hydrogen 3.138 N/A ILE 98.A N LEU 94.A O no hydrogen 3.223 N/A ILE 98.A N GLU 95.A O no hydrogen 3.113 N/A ARG 99.A N GLU 95.A O no hydrogen 2.996 N/A VAL 100.A N HIS 96.A O no hydrogen 3.374 N/A ALA 101.A N VAL 97.A O no hydrogen 2.987 N/A HIS 102.A N ILE 98.A O no hydrogen 2.839 N/A THR 103.A N ARG 99.A O no hydrogen 3.034 N/A CYS 104.A N VAL 100.A O no hydrogen 2.901 N/A CYS 104.A SG ASP 40.A OD2 no hydrogen 2.904 N/A CYS 104.A SG VAL 100.A O no hydrogen 3.477 N/A LEU 105.A N ALA 101.A O no hydrogen 3.052 N/A HIS 106.A N HIS 102.A O no hydrogen 2.614 N/A GLU 109.A N GLU 109.A OE1 no hydrogen 3.014 N/A SER 116.A OG ASP 113.A O no hydrogen 2.625 N/A LEU 120.A N SER 116.A O no hydrogen 3.264 N/A GLN 121.A N GLU 117.A O no hydrogen 2.977 N/A GLN 121.A N ALA 118.A O no hydrogen 3.228 N/A GLN 121.A NE2 GLN 121.A O no hydrogen 3.587 N/A GLN 121.A NE2 ASP 125.A OD1 no hydrogen 3.565 N/A GLN 122.A N ALA 118.A O no hydrogen 3.074 N/A VAL 123.A N TYR 119.A O no hydrogen 2.657 N/A GLN 124.A N LEU 120.A O no hydrogen 3.379 N/A ASP 125.A N GLN 121.A O no hydrogen 2.798 N/A LEU 126.A N VAL 123.A O no hydrogen 3.227 N/A VAL 127.A N VAL 123.A O no hydrogen 3.325 N/A ILE 128.A N GLN 124.A O no hydrogen 2.715 N/A LEU 129.A N ASP 125.A O no hydrogen 3.009 N/A GLU 130.A N LEU 126.A O no hydrogen 2.970 N/A SER 131.A N VAL 127.A O no hydrogen 3.271 N/A ILE 132.A N ILE 128.A O no hydrogen 3.054 N/A ILE 133.A N LEU 129.A O no hydrogen 2.925 N/A LEU 134.A N GLU 130.A O no hydrogen 3.156 N/A GLN 135.A N SER 131.A O no hydrogen 3.222 N/A THR 136.A N ILE 132.A O no hydrogen 2.818 N/A THR 136.A OG1 ILE 132.A O no hydrogen 2.623 N/A LEU 137.A N ILE 133.A O no hydrogen 2.993 N/A GLY 138.A N GLN 135.A O no hydrogen 3.199 N/A PHE 139.A N LEU 134.A O no hydrogen 2.734 N/A HIS 145.A NE2 THR 54.A OG1 no hydrogen 2.785 N/A HIS 147.A NE2 THR 172.A OG1 no hydrogen 3.072 N/A THR 148.A N HIS 145.A O no hydrogen 3.367 N/A THR 148.A OG1 HIS 145.A O no hydrogen 3.323 N/A HIS 149.A NE2 ASP 144.A OD1 no hydrogen 3.184 N/A HIS 149.A NE2 ASP 144.A OD2 no hydrogen 2.855 N/A VAL 150.A N PRO 146.A O no hydrogen 3.348 N/A VAL 151.A N HIS 147.A O no hydrogen 2.899 N/A CYS 153.A N HIS 149.A O no hydrogen 3.080 N/A THR 154.A N VAL 150.A O no hydrogen 2.735 N/A THR 154.A OG1 VAL 150.A O no hydrogen 3.416 N/A THR 154.A OG1 VAL 151.A O no hydrogen 2.939 N/A LEU 156.A N LYS 152.A O no hydrogen 3.019 N/A VAL 157.A N THR 154.A O no hydrogen 3.124 N/A ARG 158.A N GLN 155.A O no hydrogen 2.805 N/A ALA 159.A N THR 154.A O no hydrogen 2.868 N/A LEU 163.A N SER 160.A OG no hydrogen 3.100 N/A ALA 164.A N SER 160.A O no hydrogen 3.236 N/A THR 166.A N ASP 162.A O no hydrogen 2.946 N/A THR 166.A OG1 ASP 162.A OD1 no hydrogen 3.045 N/A SER 167.A N LEU 163.A O no hydrogen 3.032 N/A SER 167.A OG LEU 163.A O no hydrogen 2.662 N/A TYR 168.A N ALA 164.A O no hydrogen 3.028 N/A PHE 169.A N GLN 165.A O no hydrogen 3.136 N/A MET 170.A N THR 166.A O no hydrogen 2.945 N/A ALA 171.A N SER 167.A O no hydrogen 3.294 N/A THR 172.A N TYR 168.A O no hydrogen 3.065 N/A THR 172.A OG1 HIS 147.A NE2 no hydrogen 3.072 N/A THR 172.A OG1 TYR 168.A O no hydrogen 3.114 N/A ASN 173.A N PHE 169.A O no hydrogen 3.051 N/A ASN 173.A ND2 PHE 169.A O no hydrogen 3.006 N/A SER 174.A N ALA 171.A O no hydrogen 2.845 N/A SER 174.A OG ALA 171.A O no hydrogen 2.661 N/A HIS 176.A ND1 THR 172.A O no hydrogen 3.078 N/A LEU 177.A N ASN 173.A O no hydrogen 3.138 N/A THR 178.A OG1 SER 174.A O no hydrogen 2.737 N/A LEU 182.A N THR 179.A O no hydrogen 3.389 N/A GLN 183.A NE2 THR 179.A O no hydrogen 3.162 N/A GLN 183.A NE2 THR 179.A OG1 no hydrogen 2.943 N/A TYR 184.A N PHE 180.A O no hydrogen 3.010 N/A VAL 189.A N THR 185.A O no hydrogen 3.019 N/A ALA 190.A N PRO 186.A O no hydrogen 2.846 N/A CYS 191.A N PRO 187.A O no hydrogen 3.341 N/A CYS 191.A SG PRO 187.A O no hydrogen 3.377 N/A VAL 192.A N VAL 188.A O no hydrogen 3.199 N/A CYS 193.A N VAL 189.A O no hydrogen 3.049 N/A CYS 193.A SG VAL 189.A O no hydrogen 3.003 N/A ILE 194.A N ALA 190.A O no hydrogen 2.997 N/A HIS 195.A N CYS 191.A O no hydrogen 2.629 N/A HIS 195.A NE2 ASP 228.A OD1 no hydrogen 2.972 N/A LEU 196.A N VAL 192.A O no hydrogen 3.000 N/A ALA 197.A N CYS 193.A O no hydrogen 3.173 N/A CYS 198.A N ILE 194.A O no hydrogen 2.883 N/A CYS 198.A SG ILE 194.A O no hydrogen 3.006 N/A LYS 199.A N HIS 195.A O no hydrogen 3.324 N/A LYS 199.A NZ ASP 228.A OD2 no hydrogen 2.908 N/A TRP 200.A N LEU 196.A O no hydrogen 2.716 N/A TRP 200.A NE1 ILE 248.A O no hydrogen 3.090 N/A SER 201.A N ALA 197.A O no hydrogen 2.663 N/A TRP 203.A N CYS 198.A O no hydrogen 2.748 N/A SER 208.A N LYS 212.A O no hydrogen 3.360 N/A SER 208.A OG LYS 212.A O no hydrogen 2.807 N/A SER 208.A OG TYR 217.A OH no hydrogen 2.771 N/A GLY 211.A N SER 208.A O no hydrogen 3.004 N/A HIS 213.A N GLU 216.A OE1 no hydrogen 2.497 N/A GLU 216.A N HIS 213.A O no hydrogen 3.185 N/A TYR 217.A N TRP 214.A O no hydrogen 3.257 N/A TYR 217.A OH SER 208.A OG no hydrogen 2.771 N/A VAL 218.A N TRP 215.A O no hydrogen 3.136 N/A ASP 219.A N TRP 215.A O no hydrogen 3.187 N/A THR 221.A N ASP 219.A OD1 no hydrogen 2.768 N/A THR 221.A OG1 ASP 219.A OD1 no hydrogen 2.336 N/A THR 223.A OG1 GLU 225.A OE1 no hydrogen 3.267 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 2.792 N/A LEU 226.A N THR 223.A O no hydrogen 3.063 N/A LEU 227.A N THR 223.A O no hydrogen 3.014 N/A ASP 228.A N LEU 224.A O no hydrogen 3.070 N/A GLU 229.A N GLU 225.A O no hydrogen 3.119 N/A LEU 230.A N LEU 226.A O no hydrogen 2.905 N/A THR 231.A N LEU 227.A O no hydrogen 2.761 N/A THR 231.A OG1 LEU 227.A O no hydrogen 2.526 N/A LEU 234.A N LEU 230.A O no hydrogen 2.980 N/A LEU 235.A N THR 231.A O no hydrogen 2.833 N/A GLN 236.A N HIS 232.A O no hydrogen 3.067 N/A ILE 237.A N GLU 233.A O no hydrogen 3.342 N/A LEU 238.A N LEU 234.A O no hydrogen 3.030 N/A GLU 239.A N LEU 235.A O no hydrogen 2.758 N/A LYS 240.A N GLN 236.A O no hydrogen 3.023 N/A THR 241.A N ILE 237.A O no hydrogen 3.071 N/A THR 241.A OG1 ILE 237.A O no hydrogen 2.567 N/A ARG 244.A NH1 ASN 173.A OD1 no hydrogen 2.885 N/A ARG 247.A N ARG 244.A O no hydrogen 3.144 N/A ILE 248.A N LEU 245.A O no hydrogen 3.193 N/A TRP 249.A N LYS 246.A O no hydrogen 3.217 N/A