Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4p5q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 GLU 7.A OE1 no hydrogen 2.483 N/A PHE 4.A N VAL 1.A O no hydrogen 3.291 N/A ALA 5.A N VAL 1.A O no hydrogen 2.820 N/A LEU 8.A N VAL 80.A O no hydrogen 2.789 N/A THR 11.A N ASP 9.A OD1 no hydrogen 3.032 N/A THR 11.A OG1 ASP 9.A OD1 no hydrogen 3.116 N/A ASN 12.A N ASP 9.A O no hydrogen 2.856 N/A ILE 13.A N ALA 10.A O no hydrogen 3.184 N/A SER 14.A N ARG 31.A O no hydrogen 2.960 N/A SER 14.A OG ASP 16.A OD2 no hydrogen 3.172 N/A ASP 16.A N SER 29.A O no hydrogen 2.938 N/A LYS 17.A N SER 29.A O no hydrogen 3.375 N/A VAL 19.A N VAL 27.A O no hydrogen 2.756 N/A GLY 20.A N VAL 27.A O no hydrogen 3.178 N/A GLY 22.A N GLY 25.A O no hydrogen 2.805 N/A VAL 27.A N GLY 20.A O no hydrogen 2.783 N/A CYS 28.A N ILE 44.A O no hydrogen 2.669 N/A SER 29.A N LYS 17.A O no hydrogen 2.746 N/A GLY 30.A N VAL 42.A O no hydrogen 2.990 N/A ARG 31.A N SER 14.A O no hydrogen 2.935 N/A ARG 31.A NH1 SER 41.A OG no hydrogen 2.754 N/A LEU 32.A N ILE 40.A O no hydrogen 2.936 N/A LYS 33.A N ASN 12.A O no hydrogen 2.846 N/A LYS 33.A NZ LYS 37.A O no hydrogen 2.727 N/A LYS 33.A NZ GLU 39.A OE2 no hydrogen 2.717 N/A LEU 34.A N LYS 38.A O no hydrogen 2.769 N/A LYS 37.A N LEU 34.A O no hydrogen 2.816 N/A LYS 38.A N SER 36.A OG no hydrogen 3.329 N/A ILE 40.A N LEU 32.A O no hydrogen 2.951 N/A VAL 42.A N GLY 30.A O no hydrogen 2.908 N/A ALA 43.A N THR 91.A O no hydrogen 2.849 N/A ILE 44.A N CYS 28.A O no hydrogen 2.695 N/A LYS 45.A N ILE 89.A O no hydrogen 2.888 N/A LYS 45.A NZ GLU 62.A OE1 no hydrogen 3.266 N/A THR 46.A N GLU 26.A O no hydrogen 2.947 N/A THR 46.A OG1 GLU 26.A O no hydrogen 2.944 N/A LEU 47.A N VAL 87.A O no hydrogen 2.922 N/A LYS 48.A N PHE 24.A O no hydrogen 2.752 N/A LYS 48.A NZ PHE 24.A O no hydrogen 2.935 N/A THR 52.A N GLN 55.A OE1 no hydrogen 2.852 N/A GLN 55.A N THR 52.A OG1 no hydrogen 3.140 N/A ARG 56.A N THR 52.A O no hydrogen 3.031 N/A ARG 57.A N GLU 53.A O no hydrogen 3.054 N/A ASP 58.A N LYS 54.A O no hydrogen 2.947 N/A PHE 59.A N GLN 55.A O no hydrogen 2.830 N/A LEU 60.A N ARG 56.A O no hydrogen 2.989 N/A GLY 61.A N ARG 57.A O no hydrogen 2.900 N/A GLU 62.A N PHE 59.A O no hydrogen 3.282 N/A SER 64.A N LEU 60.A O no hydrogen 3.010 N/A SER 64.A OG LEU 60.A O no hydrogen 3.551 N/A ILE 65.A N GLY 61.A O no hydrogen 3.131 N/A MET 66.A N GLU 62.A O no hydrogen 2.797 N/A GLY 67.A N ALA 63.A O no hydrogen 2.798 N/A GLN 68.A N ILE 65.A O no hydrogen 3.031 N/A GLN 68.A NE2 SER 64.A O no hydrogen 3.037 N/A PHE 69.A N MET 66.A O no hydrogen 3.057 N/A ASN 73.A N HIS 71.A ND1 no hydrogen 2.924 N/A ASN 73.A ND2 CYS 152.A O no hydrogen 2.953 N/A ILE 74.A N HIS 71.A O no hydrogen 3.186 N/A ILE 75.A N VAL 154.A O no hydrogen 3.016 N/A ARG 76.A N GLU 92.A OE2 no hydrogen 2.846 N/A ARG 76.A NE GLU 78.A OE2 no hydrogen 2.900 N/A GLU 78.A N VAL 90.A O no hydrogen 2.748 N/A GLY 79.A N VAL 90.A O no hydrogen 3.267 N/A VAL 80.A N LYS 6.A O no hydrogen 2.914 N/A VAL 81.A N MET 88.A O no hydrogen 2.889 N/A THR 82.A N GLU 7.A OE2 no hydrogen 2.822 N/A THR 82.A OG1 GLU 7.A OE1 no hydrogen 2.737 N/A THR 82.A OG1 GLU 7.A OE2 no hydrogen 3.412 N/A LYS 83.A N GLU 7.A OE2 no hydrogen 2.965 N/A LYS 85.A NZ TYR 51.A OH no hydrogen 2.863 N/A MET 88.A N VAL 81.A O no hydrogen 2.935 N/A ILE 89.A N LYS 45.A O no hydrogen 2.885 N/A VAL 90.A N GLY 79.A O no hydrogen 2.869 N/A THR 91.A N ALA 43.A O no hydrogen 2.936 N/A THR 91.A OG1 GLU 92.A O no hydrogen 3.454 N/A GLU 92.A N ARG 76.A O no hydrogen 3.007 N/A ASN 96.A N ILE 146.A O no hydrogen 3.031 N/A ASN 96.A ND2 ASN 147.A O no hydrogen 2.970 N/A GLY 97.A N MET 94.A O no hydrogen 3.140 N/A SER 98.A OG.A ARG 142.A O no hydrogen 3.367 N/A SER 98.A OG.B ASP 100.A OD1 no hydrogen 3.222 N/A SER 98.A OG.B SER 101.A OG no hydrogen 2.527 N/A LEU 99.A N ILE 144.A O.A no hydrogen 2.879 N/A LEU 99.A N ILE 144.A O.B no hydrogen 2.872 N/A SER 101.A OG SER 98.A O.A no hydrogen 2.999 N/A SER 101.A OG SER 98.A O.B no hydrogen 2.934 N/A SER 101.A OG SER 98.A OG.B no hydrogen 2.527 N/A PHE 102.A N SER 98.A O.A no hydrogen 2.945 N/A PHE 102.A N SER 98.A O.B no hydrogen 2.945 N/A LEU 103.A N LEU 99.A O no hydrogen 2.922 N/A ARG 104.A N ASP 100.A O no hydrogen 3.086 N/A ARG 104.A NE GLY 197.A O no hydrogen 2.646 N/A ARG 104.A NH1 ASP 100.A OD2 no hydrogen 2.507 N/A ARG 104.A NH1 GLY 197.A O no hydrogen 3.312 N/A LYS 105.A N PHE 102.A O no hydrogen 3.057 N/A HIS 106.A N LEU 103.A O no hydrogen 2.956 N/A HIS 106.A ND1 GLN 109.A OE1 no hydrogen 2.826 N/A GLN 109.A N HIS 106.A O no hydrogen 2.998 N/A PHE 110.A N TYR 196.A OH no hydrogen 3.034 N/A THR 111.A N GLN 114.A OE1 no hydrogen 2.947 N/A GLN 114.A N THR 111.A OG1 no hydrogen 3.004 N/A LEU 115.A N THR 111.A O no hydrogen 3.067 N/A VAL 116.A N VAL 112.A O no hydrogen 2.869 N/A GLY 117.A N ILE 113.A O no hydrogen 2.945 N/A MET 118.A N GLN 114.A O no hydrogen 3.166 N/A LEU 119.A N LEU 115.A O no hydrogen 2.997 N/A ARG 120.A N VAL 116.A O no hydrogen 2.769 N/A ARG 120.A NE ASP 255.A OD1 no hydrogen 2.644 N/A ARG 120.A NH2 ASP 255.A OD1 no hydrogen 3.492 N/A ARG 120.A NH2 ASP 255.A OD2 no hydrogen 2.969 N/A GLY 121.A N GLY 117.A O no hydrogen 3.127 N/A ILE 122.A N MET 118.A O no hydrogen 3.108 N/A ALA 123.A N LEU 119.A O no hydrogen 2.969 N/A SER 124.A N.A ARG 120.A O no hydrogen 2.912 N/A SER 124.A N.B ARG 120.A O no hydrogen 2.933 N/A SER 124.A N.B GLY 121.A O no hydrogen 3.172 N/A SER 124.A OG.B ARG 120.A O no hydrogen 3.278 N/A GLY 125.A N GLY 121.A O no hydrogen 3.025 N/A MET 126.A N ILE 122.A O no hydrogen 2.952 N/A LYS 127.A N ALA 123.A O no hydrogen 2.820 N/A LYS 127.A NZ ASP 131.A OD1 no hydrogen 3.550 N/A LYS 127.A NZ ASP 131.A OD2 no hydrogen 2.664 N/A TYR 128.A N SER 124.A O.A no hydrogen 3.079 N/A TYR 128.A N SER 124.A O.B no hydrogen 3.339 N/A LEU 129.A N GLY 125.A O no hydrogen 2.998 N/A SER 130.A N MET 126.A O no hydrogen 2.934 N/A SER 130.A OG MET 126.A O no hydrogen 2.860 N/A SER 130.A OG LYS 127.A O no hydrogen 2.998 N/A ASP 131.A N LYS 127.A O no hydrogen 2.938 N/A MET 132.A N TYR 128.A O no hydrogen 2.974 N/A MET 132.A N LEU 129.A O no hydrogen 3.061 N/A GLY 133.A N SER 130.A O no hydrogen 3.051 N/A TYR 134.A N.A LEU 129.A O no hydrogen 3.099 N/A TYR 134.A N.B LEU 129.A O no hydrogen 3.101 N/A TYR 134.A OH.B GLN 68.A OE1 no hydrogen 2.931 N/A VAL 135.A N ARG 161.A O no hydrogen 3.015 N/A HIS 136.A N ASP 182.A OD2 no hydrogen 2.773 N/A HIS 136.A NE2 SER 155.A O.A no hydrogen 2.891 N/A HIS 136.A NE2 SER 155.A O.B no hydrogen 2.895 N/A ARG 137.A N ASP 182.A OD1 no hydrogen 3.096 N/A ASP 138.A N HIS 136.A ND1 no hydrogen 3.007 N/A ALA 141.A N GLU 192.A OE1 no hydrogen 2.914 N/A ASN 143.A N ALA 140.A O no hydrogen 2.862 N/A ASN 143.A ND2 ASP 138.A O no hydrogen 2.717 N/A ILE 144.A N.A ALA 141.A O no hydrogen 3.163 N/A ILE 144.A N.B ALA 141.A O no hydrogen 3.164 N/A LEU 145.A N LYS 153.A O no hydrogen 2.964 N/A ILE 146.A N GLY 97.A O no hydrogen 2.964 N/A ASN 147.A N VAL 151.A O no hydrogen 3.093 N/A ASN 149.A N ASN 147.A OD1 no hydrogen 2.911 N/A LEU 150.A N ASN 147.A O no hydrogen 3.004 N/A VAL 151.A N ASN 147.A OD1 no hydrogen 3.043 N/A CYS 152.A SG LEU 150.A O no hydrogen 3.870 N/A LYS 153.A N LEU 145.A O no hydrogen 2.922 N/A LYS 153.A NZ PRO 72.A O no hydrogen 3.225 N/A LYS 153.A NZ GLU 92.A OE1 no hydrogen 2.780 N/A LYS 153.A NZ GLU 92.A OE2 no hydrogen 3.320 N/A VAL 154.A N ASN 73.A O no hydrogen 2.886 N/A SER 155.A N.A ASN 143.A O no hydrogen 2.985 N/A SER 155.A N.B ASN 143.A O no hydrogen 2.990 N/A SER 155.A OG.B ASN 143.A O no hydrogen 2.808 N/A PHE 157.A N GLU 62.A OE2 no hydrogen 3.177 N/A ARG 161.A N VAL 135.A O no hydrogen 3.105 N/A ARG 165.A NE PRO 200.A O no hydrogen 2.906 N/A ARG 165.A NE TRP 202.A O no hydrogen 3.210 N/A ARG 165.A NH1 ASN 206.A OD1 no hydrogen 2.856 N/A ARG 165.A NH2 TYR 201.A O no hydrogen 3.493 N/A ARG 165.A NH2 TRP 202.A O no hydrogen 2.839 N/A ARG 165.A NH2 MET 204.A O no hydrogen 2.696 N/A TRP 166.A N PRO 163.A O no hydrogen 3.072 N/A TRP 166.A NE1 GLU 192.A OE1 no hydrogen 2.897 N/A THR 167.A N ILE 164.A O no hydrogen 3.138 N/A THR 167.A OG1 PRO 163.A O no hydrogen 2.584 N/A SER 168.A OG SER 181.A OG.B no hydrogen 2.872 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 2.809 N/A ALA 171.A N SER 168.A OG no hydrogen 3.286 N/A ILE 172.A N SER 168.A O no hydrogen 3.040 N/A ALA 173.A N PRO 169.A O no hydrogen 2.804 N/A TYR 174.A N GLU 170.A O no hydrogen 3.092 N/A ARG 175.A N ALA 171.A O no hydrogen 2.917 N/A LYS 176.A N GLU 170.A O no hydrogen 3.373 N/A THR 178.A N SER 181.A OG.A no hydrogen 2.849 N/A SER 181.A N.A THR 178.A O no hydrogen 2.994 N/A SER 181.A N.A THR 178.A OG1 no hydrogen 3.270 N/A SER 181.A N.B THR 178.A O no hydrogen 2.978 N/A SER 181.A N.B THR 178.A OG1 no hydrogen 3.250 N/A SER 181.A OG.A THR 178.A O no hydrogen 2.739 N/A SER 181.A OG.B SER 168.A OG no hydrogen 2.872 N/A ASP 182.A N THR 178.A O no hydrogen 3.224 N/A VAL 183.A N SER 179.A O no hydrogen 2.933 N/A TRP 184.A N ALA 180.A O no hydrogen 3.146 N/A SER 185.A N SER 181.A O.A no hydrogen 3.139 N/A SER 185.A N SER 181.A O.B no hydrogen 3.119 N/A SER 185.A OG TRP 166.A O no hydrogen 2.690 N/A SER 185.A OG SER 181.A O.A no hydrogen 3.233 N/A SER 185.A OG SER 181.A O.B no hydrogen 3.331 N/A TYR 186.A N ASP 182.A O no hydrogen 2.824 N/A TYR 186.A OH LEU 119.A O no hydrogen 2.770 N/A GLY 187.A N VAL 183.A O no hydrogen 2.970 N/A ILE 188.A N TRP 184.A O no hydrogen 3.142 N/A VAL 189.A N SER 185.A O no hydrogen 2.885 N/A LEU 190.A N TYR 186.A O no hydrogen 2.808 N/A TRP 191.A N GLY 187.A O no hydrogen 3.036 N/A TRP 191.A NE1 PRO 220.A O no hydrogen 2.791 N/A GLU 192.A N ILE 188.A O no hydrogen 2.840 N/A VAL 193.A N VAL 189.A O no hydrogen 2.814 N/A MET 194.A N LEU 190.A O no hydrogen 3.031 N/A SER 195.A N.A TRP 191.A O no hydrogen 2.949 N/A SER 195.A N.A GLU 192.A O no hydrogen 3.262 N/A SER 195.A N.B TRP 191.A O no hydrogen 2.968 N/A SER 195.A N.B GLU 192.A O no hydrogen 3.263 N/A SER 195.A OG.A TRP 191.A O no hydrogen 2.785 N/A SER 195.A OG.B TRP 191.A O no hydrogen 2.950 N/A SER 195.A OG.B GLU 192.A O no hydrogen 3.012 N/A TYR 196.A N VAL 193.A O no hydrogen 2.968 N/A GLY 197.A N GLU 192.A O no hydrogen 2.799 N/A GLU 198.A N.A SER 195.A O.A no hydrogen 3.428 N/A GLU 198.A N.B SER 195.A O.A no hydrogen 3.427 N/A ARG 199.A N GLU 198.A OE2.A no hydrogen 2.840 N/A ARG 199.A NE TRP 202.A O no hydrogen 3.014 N/A TRP 202.A N ARG 199.A O no hydrogen 2.932 N/A TRP 202.A NE1 GLU 198.A OE1.B no hydrogen 3.105 N/A MET 204.A N TYR 201.A O no hydrogen 3.047 N/A SER 205.A OG ASP 208.A OD2 no hydrogen 2.916 N/A GLN 207.A N GLN 207.A OE1 no hydrogen 2.719 N/A ASP 208.A N SER 205.A OG no hydrogen 3.254 N/A VAL 209.A N SER 205.A O no hydrogen 2.987 N/A ILE 210.A N ASN 206.A O no hydrogen 2.935 N/A LYS 211.A N GLN 207.A O no hydrogen 3.024 N/A ALA 212.A N ASP 208.A O no hydrogen 2.813 N/A VAL 213.A N VAL 209.A O no hydrogen 3.149 N/A ASP 214.A N ILE 210.A O no hydrogen 3.109 N/A GLU 215.A N LYS 211.A O no hydrogen 2.945 N/A GLY 216.A N VAL 213.A O no hydrogen 2.959 N/A TYR 217.A N ALA 212.A O no hydrogen 2.999 N/A ARG 218.A N LEU 273.A O no hydrogen 2.776 N/A ARG 218.A NE TRP 237.A O no hydrogen 3.116 N/A ARG 218.A NH1 VAL 213.A O no hydrogen 2.987 N/A ARG 218.A NH1 TYR 217.A O no hydrogen 2.825 N/A ARG 218.A NH2 TRP 237.A O no hydrogen 2.905 N/A CYS 225.A N PRO 222.A O no hydrogen 3.100 N/A CYS 225.A SG PRO 226.A O no hydrogen 3.520 N/A ALA 227.A N ILE 266.A O no hydrogen 2.820 N/A LEU 229.A N PRO 226.A O no hydrogen 3.011 N/A TYR 230.A N PRO 226.A O no hydrogen 3.084 N/A TYR 230.A OH LEU 219.A O no hydrogen 2.649 N/A GLN 231.A N ALA 227.A O no hydrogen 2.921 N/A GLN 231.A NE2 ASP 235.A OD1 no hydrogen 2.905 N/A LEU 232.A N ALA 228.A O no hydrogen 3.077 N/A MET 233.A N LEU 229.A O no hydrogen 3.051 N/A LEU 234.A N TYR 230.A O no hydrogen 2.984 N/A ASP 235.A N GLN 231.A O no hydrogen 2.854 N/A CYS 236.A N LEU 232.A O no hydrogen 2.924 N/A CYS 236.A SG LEU 232.A O no hydrogen 3.368 N/A TRP 237.A N MET 233.A O no hydrogen 2.951 N/A TRP 237.A N LEU 234.A O no hydrogen 3.144 N/A GLN 238.A N ASP 235.A O no hydrogen 3.341 N/A GLN 238.A NE2 LEU 234.A O no hydrogen 2.967 N/A ASN 242.A N ASP 240.A OD1 no hydrogen 2.914 N/A ASN 243.A N ASP 240.A O no hydrogen 2.863 N/A ARG 244.A N ARG 241.A O no hydrogen 3.214 N/A ARG 244.A NE GLN 238.A O no hydrogen 2.845 N/A ARG 244.A NH1 GLU 170.A OE2 no hydrogen 2.806 N/A ARG 244.A NH1 ALA 180.A O no hydrogen 2.976 N/A ARG 244.A NH2 GLU 170.A OE1 no hydrogen 2.916 N/A ARG 244.A NH2 GLU 170.A OE2 no hydrogen 3.530 N/A ARG 244.A NH2 GLN 238.A O no hydrogen 2.996 N/A LYS 246.A N GLN 249.A OE1 no hydrogen 2.838 N/A ILE 250.A N LYS 246.A O no hydrogen 3.040 N/A VAL 251.A N PHE 247.A O no hydrogen 2.916 N/A SER 252.A N GLU 248.A O no hydrogen 3.049 N/A ILE 253.A N GLN 249.A O no hydrogen 2.861 N/A LEU 254.A N ILE 250.A O no hydrogen 3.002 N/A ASP 255.A N VAL 251.A O no hydrogen 2.887 N/A LYS 256.A N SER 252.A O no hydrogen 3.137 N/A LEU 257.A N ILE 253.A O no hydrogen 3.130 N/A ILE 258.A N LEU 254.A O no hydrogen 2.885 N/A ARG 259.A N ASP 255.A O no hydrogen 3.159 N/A ASN 260.A N LYS 256.A O no hydrogen 3.178 N/A SER 263.A N ASN 260.A O no hydrogen 2.878 N/A SER 263.A OG ASN 260.A O no hydrogen 2.868 N/A LEU 264.A N PRO 261.A O no hydrogen 3.084 N/A LYS 265.A N GLY 262.A O no hydrogen 2.739 N/A THR 268.A N CYS 225.A O no hydrogen 2.991 N/A THR 268.A OG1 CYS 225.A O no hydrogen 2.571 N/A SER 270.A OG LEU 272.A O no hydrogen 2.740 N/A LEU 273.A N ARG 218.A O no hydrogen 2.896 N/A ASP 275.A N GLY 216.A O no hydrogen 2.978 N/A