Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8q58_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ASP 67.A OD1 no hydrogen 2.600 N/A VAL 4.A N VAL 77.A O no hydrogen 2.890 N/A SER 5.A OG ASN 128.A O no hydrogen 3.135 N/A GLY 6.A N GLN 99.A O no hydrogen 2.985 N/A LYS 7.A N SER 5.A OG no hydrogen 3.120 N/A LYS 7.A NZ ASP 157.A OD1 no hydrogen 3.194 N/A MET 9.A N SER 5.A O no hydrogen 3.061 N/A ILE 10.A N GLY 6.A O no hydrogen 2.916 N/A GLN 11.A N LYS 7.A O no hydrogen 3.108 N/A GLN 12.A N THR 8.A O no hydrogen 3.022 N/A ALA 13.A N MET 9.A O no hydrogen 3.161 N/A TRP 14.A N ILE 10.A O no hydrogen 2.879 N/A LYS 15.A N GLN 11.A O no hydrogen 2.889 N/A HIS 16.A N GLN 12.A O no hydrogen 3.169 N/A HIS 16.A N ALA 13.A O no hydrogen 3.207 N/A HIS 16.A ND1 GLN 12.A O no hydrogen 3.080 N/A GLY 17.A N TRP 14.A O no hydrogen 3.389 N/A TYR 18.A N ALA 13.A O no hydrogen 3.031 N/A ALA 19.A N PHE 259.A O no hydrogen 2.959 N/A ILE 20.A N ALA 208.A O no hydrogen 2.829 N/A ALA 22.A N VAL 210.A O no hydrogen 2.909 N/A PHE 23.A N MET 46.A O no hydrogen 2.956 N/A SER 24.A N VAL 212.A O no hydrogen 2.868 N/A ALA 25.A N GLN 48.A O no hydrogen 3.029 N/A HIS 26.A N THR 30.A OG1 no hydrogen 2.919 N/A HIS 26.A NE2 ASP 213.A OD1 no hydrogen 2.843 N/A ASN 27.A N THR 30.A OG1 no hydrogen 2.866 N/A GLU 29.A N GLU 29.A OE1 no hydrogen 2.804 N/A THR 30.A N ASN 27.A OD1 no hydrogen 2.930 N/A THR 30.A OG1 ASN 27.A O no hydrogen 3.226 N/A THR 30.A OG1 ASN 27.A OD1 no hydrogen 2.679 N/A VAL 31.A N ASN 27.A O no hydrogen 3.047 N/A ARG 32.A N ALA 28.A O no hydrogen 3.031 N/A ARG 32.A NH1 ASP 72.A OD1 no hydrogen 2.738 N/A ARG 32.A NH2 ASP 72.A OD1 no hydrogen 3.389 N/A ARG 32.A NH2 ASP 72.A OD2 no hydrogen 2.740 N/A ALA 33.A N GLU 29.A O no hydrogen 2.932 N/A ILE 34.A N THR 30.A O no hydrogen 3.231 N/A LEU 35.A N VAL 31.A O no hydrogen 3.082 N/A LEU 36.A N ARG 32.A O no hydrogen 2.844 N/A ALA 37.A N ALA 33.A O no hydrogen 2.985 N/A ALA 38.A N ILE 34.A O no hydrogen 2.971 N/A GLN 39.A N LEU 35.A O no hydrogen 2.970 N/A GLN 39.A NE2 THR 74.A OG1 no hydrogen 2.927 N/A GLU 40.A N LEU 36.A O no hydrogen 2.925 N/A GLU 41.A N ALA 37.A O no hydrogen 3.064 N/A GLN 42.A N GLN 39.A O no hydrogen 3.187 N/A SER 43.A N ALA 38.A O no hydrogen 2.883 N/A SER 43.A OG PRO 44.A O no hydrogen 2.658 N/A SER 43.A OG SER 261.A OG no hydrogen 2.548 N/A VAL 45.A N PRO 76.A O no hydrogen 3.007 N/A MET 46.A N GLY 21.A O no hydrogen 3.057 N/A ILE 47.A N CYS 78.A O no hydrogen 2.952 N/A GLN 48.A N PHE 23.A O no hydrogen 2.823 N/A GLN 48.A NE2 SER 24.A OG no hydrogen 3.125 N/A VAL 49.A N HIS 80.A O no hydrogen 2.884 N/A GLN 51.A NE2 ASP 82.A O no hydrogen 3.059 N/A GLN 51.A NE2 GLN 89.A OE1 no hydrogen 2.884 N/A ILE 54.A N GLY 50.A O no hydrogen 3.037 N/A SER 55.A N GLN 51.A O no hydrogen 3.087 N/A SER 55.A OG LYS 52.A O no hydrogen 2.597 N/A VAL 56.A N LYS 52.A O no hydrogen 3.204 N/A VAL 56.A N VAL 53.A O no hydrogen 3.109 N/A MET 57.A N VAL 53.A O no hydrogen 2.735 N/A GLY 58.A N ILE 54.A O no hydrogen 3.054 N/A LYS 60.A NZ GLU 64.A OE2 no hydrogen 3.130 N/A MET 62.A N GLY 58.A O no hydrogen 3.243 N/A LYS 63.A N LEU 59.A O no hydrogen 3.104 N/A LYS 63.A NZ ASP 67.A OD1 no hydrogen 2.947 N/A LYS 63.A NZ ASP 67.A OD2 no hydrogen 3.249 N/A GLU 64.A N LYS 60.A O no hydrogen 2.994 N/A ILE 65.A N PRO 61.A O no hydrogen 2.902 N/A ILE 66.A N MET 62.A O no hydrogen 2.970 N/A ASP 67.A N LYS 63.A O no hydrogen 2.969 N/A ALA 68.A N GLU 64.A O no hydrogen 3.002 N/A PHE 69.A N ILE 65.A O no hydrogen 3.303 N/A PHE 69.A N ILE 66.A O no hydrogen 2.987 N/A MET 70.A N ASP 67.A O no hydrogen 3.296 N/A ILE 73.A N MET 70.A O no hydrogen 3.036 N/A THR 74.A N GLN 39.A OE1 no hydrogen 2.754 N/A VAL 75.A N GLN 39.A OE1 no hydrogen 3.362 N/A VAL 77.A N PRO 2.A O no hydrogen 3.071 N/A CYS 78.A N VAL 45.A O no hydrogen 3.071 N/A ILE 79.A N GLN 99.A OE1 no hydrogen 2.753 N/A HIS 80.A N ILE 47.A O no hydrogen 2.878 N/A HIS 80.A ND1 SER 100.A OG no hydrogen 2.702 N/A LEU 81.A N SER 100.A O no hydrogen 3.017 N/A ASP 82.A N VAL 49.A O no hydrogen 2.927 N/A HIS 83.A ND1.A ASP 82.A OD1 no hydrogen 2.748 N/A HIS 83.A ND1.B ASP 104.A OD2 no hydrogen 3.215 N/A SER 84.A N MET 102.A O no hydrogen 3.109 N/A SER 84.A OG SER 86.A O no hydrogen 3.065 N/A SER 84.A OG GLN 89.A OE1 no hydrogen 2.901 N/A SER 84.A OG THR 90.A OG1 no hydrogen 3.042 N/A SER 86.A N SER 84.A OG no hydrogen 3.292 N/A GLN 89.A N SER 86.A OG no hydrogen 2.953 N/A GLN 89.A NE2 GLN 51.A OE1 no hydrogen 3.146 N/A THR 90.A N SER 86.A O no hydrogen 3.037 N/A THR 90.A OG1 SER 84.A OG no hydrogen 3.042 N/A THR 90.A OG1 SER 86.A O no hydrogen 3.105 N/A MET 91.A N PHE 87.A O no hydrogen 2.876 N/A GLN 92.A N GLU 88.A O no hydrogen 2.946 N/A ALA 93.A N GLN 89.A O no hydrogen 3.054 N/A ILE 94.A N THR 90.A O no hydrogen 3.013 N/A GLN 95.A N MET 91.A O no hydrogen 2.862 N/A CYS 96.A N GLN 92.A O no hydrogen 3.033 N/A CYS 96.A SG.A GLN 92.A O no hydrogen 3.688 N/A CYS 96.A SG.A ALA 93.A O no hydrogen 3.827 N/A CYS 96.A SG.B GLN 92.A O no hydrogen 3.202 N/A GLY 97.A N ILE 94.A O no hydrogen 3.088 N/A PHE 98.A N ALA 93.A O no hydrogen 3.069 N/A GLN 99.A N ILE 79.A O no hydrogen 3.017 N/A SER 100.A N ILE 79.A O no hydrogen 3.187 N/A SER 100.A OG HIS 80.A ND1 no hydrogen 2.702 N/A SER 100.A OG TYR 158.A OH no hydrogen 2.570 N/A VAL 101.A N GLY 130.A O no hydrogen 2.941 N/A MET 102.A N LEU 81.A O no hydrogen 2.931 N/A PHE 103.A N GLU 132.A O no hydrogen 3.243 N/A ASP 104.A N SER 84.A O no hydrogen 2.755 N/A SER 106.A N ASP 104.A OD1 no hydrogen 2.978 N/A SER 106.A OG ASP 104.A OD1 no hydrogen 2.568 N/A SER 106.A OG ASP 104.A OD2 no hydrogen 3.551 N/A HIS 107.A N HIS 107.A ND1 no hydrogen 2.950 N/A LEU 108.A N GLY 105.A O no hydrogen 2.824 N/A GLU 112.A N SER 109.A OG no hydrogen 3.162 N/A ASN 113.A N SER 109.A O no hydrogen 2.788 N/A ASN 113.A ND2 GLU 134.A O no hydrogen 3.064 N/A VAL 114.A N PHE 110.A O no hydrogen 2.878 N/A ARG 115.A N GLU 111.A O no hydrogen 2.932 N/A ARG 115.A NE GLU 112.A OE1.A no hydrogen 2.723 N/A ARG 115.A NH2 GLU 112.A OE2.A no hydrogen 2.739 N/A ILE 116.A N GLU 112.A O no hydrogen 2.961 N/A THR 117.A N ASN 113.A O no hydrogen 2.918 N/A THR 117.A OG1 ASN 113.A O no hydrogen 2.709 N/A THR 117.A OG1 ASN 113.A OD1 no hydrogen 2.935 N/A ARG 118.A N VAL 114.A O no hydrogen 2.840 N/A ARG 118.A NH1 GLY 153.A O no hydrogen 3.131 N/A ALA 119.A N ARG 115.A O no hydrogen 3.059 N/A ALA 120.A N ILE 116.A O no hydrogen 3.007 N/A SER 121.A N THR 117.A O no hydrogen 2.760 N/A SER 121.A OG THR 154.A O no hydrogen 3.111 N/A SER 121.A OG ASP 155.A O no hydrogen 3.332 N/A GLU 122.A N ARG 118.A O no hydrogen 2.931 N/A VAL 123.A N ALA 119.A O no hydrogen 3.418 N/A ALA 124.A N ALA 120.A O no hydrogen 3.003 N/A HIS 125.A N SER 121.A O no hydrogen 2.860 N/A HIS 125.A NE2 ASP 157.A OD2 no hydrogen 2.713 N/A ALA 126.A N GLU 122.A O no hydrogen 3.067 N/A LEU 127.A N ALA 124.A O no hydrogen 3.063 N/A ASN 128.A N HIS 125.A O no hydrogen 3.442 N/A ILE 129.A N ALA 124.A O no hydrogen 2.907 N/A GLY 130.A N GLN 99.A O no hydrogen 2.893 N/A MET 131.A N ASP 157.A OD2 no hydrogen 2.944 N/A GLU 132.A N VAL 101.A O no hydrogen 2.859 N/A GLY 133.A N TYR 158.A O no hydrogen 3.422 N/A ILE 135.A N ALA 160.A O no hydrogen 3.085 N/A LYS 137.A NZ ILE 141.A O no hydrogen 2.909 N/A LYS 137.A NZ GLU 146.A OE1 no hydrogen 2.768 N/A LYS 137.A NZ GLU 146.A OE2 no hydrogen 3.470 N/A ILE 138.A N GLU 146.A OE2 no hydrogen 2.692 N/A THR 142.A N SER 162.A O no hydrogen 3.003 N/A THR 142.A OG1 GLY 136.A O no hydrogen 2.662 N/A SER 143.A N GLU 146.A OE1 no hydrogen 2.756 N/A CYS 144.A SG GLU 177.A OE2 no hydrogen 3.136 N/A GLU 146.A N SER 143.A OG no hydrogen 2.893 N/A ALA 147.A N SER 143.A O no hydrogen 2.974 N/A LEU 148.A N CYS 144.A O no hydrogen 2.814 N/A ARG 149.A N ASP 145.A O no hydrogen 2.922 N/A ARG 149.A NH1 ASP 145.A OD2 no hydrogen 3.567 N/A PHE 150.A N GLU 146.A O no hydrogen 2.952 N/A SER 151.A N ALA 147.A O no hydrogen 2.857 N/A GLU 152.A N LEU 148.A O no hydrogen 2.918 N/A GLY 153.A N ARG 149.A O no hydrogen 3.041 N/A THR 154.A N PHE 150.A O no hydrogen 3.119 N/A THR 154.A OG1 PHE 150.A O no hydrogen 2.808 N/A THR 154.A OG1 SER 151.A O no hydrogen 3.478 N/A ASP 155.A N SER 151.A O no hydrogen 2.921 N/A VAL 156.A N THR 154.A OG1 no hydrogen 3.353 N/A ASP 157.A N MET 131.A O no hydrogen 2.828 N/A TYR 158.A N MET 131.A O no hydrogen 3.262 N/A TYR 158.A OH SER 100.A OG no hydrogen 2.570 N/A LEU 159.A N PRO 185.A O no hydrogen 3.120 N/A ALA 160.A N GLY 133.A O no hydrogen 2.978 N/A SER 162.A N THR 142.A OG1 no hydrogen 2.959 N/A SER 162.A OG LEU 140.A O no hydrogen 2.590 N/A THR 165.A OG1 HIS 189.A O no hydrogen 2.761 N/A HIS 167.A NE2 HIS 189.A ND1.A no hydrogen 3.244 N/A LEU 170.A N GLN 198.A OE1 no hydrogen 3.124 N/A ALA 171.A N ILE 163.A O no hydrogen 2.835 N/A ARG 174.A NE GLU 177.A OE1 no hydrogen 3.482 N/A ARG 174.A NE GLU 177.A OE2 no hydrogen 3.537 N/A ARG 174.A NH1 THR 142.A O no hydrogen 2.871 N/A LEU 175.A N ALA 171.A O no hydrogen 3.016 N/A GLN 176.A N PHE 172.A O no hydrogen 2.945 N/A GLU 177.A N GLY 173.A O no hydrogen 2.957 N/A ILE 178.A N ARG 174.A O no hydrogen 2.831 N/A ARG 179.A N LEU 175.A O no hydrogen 3.044 N/A ARG 179.A NH2 TRP 14.A O no hydrogen 3.128 N/A GLU 180.A N GLN 176.A O no hydrogen 3.387 N/A ILE 181.A N GLU 177.A O no hydrogen 2.979 N/A VAL 182.A N ILE 178.A O no hydrogen 2.770 N/A LYS 183.A N ARG 179.A O no hydrogen 3.118 N/A LYS 183.A NZ GLU 180.A O no hydrogen 3.030 N/A LYS 184.A NZ SER 151.A O no hydrogen 3.302 N/A LYS 184.A NZ SER 151.A OG no hydrogen 2.868 N/A LYS 184.A NZ VAL 156.A O no hydrogen 2.774 N/A ILE 186.A N GLY 206.A O no hydrogen 3.125 N/A VAL 187.A N LEU 159.A O no hydrogen 2.845 N/A LEU 188.A N LYS 209.A O no hydrogen 2.931 N/A HIS 189.A NE2.A GLU 132.A OE2 no hydrogen 2.741 N/A VAL 194.A N GLY 191.A O no hydrogen 3.110 N/A GLN 198.A N PRO 195.A O no hydrogen 3.115 N/A ILE 199.A N PRO 195.A O no hydrogen 3.186 N/A ARG 200.A N ASP 196.A O no hydrogen 2.991 N/A GLN 201.A N ASP 197.A O no hydrogen 3.228 N/A ALA 202.A N GLN 198.A O no hydrogen 2.982 N/A ILE 203.A N ILE 199.A O no hydrogen 3.062 N/A ALA 204.A N ARG 200.A O no hydrogen 3.107 N/A LEU 205.A N GLN 201.A O no hydrogen 3.107 N/A LEU 205.A N ALA 202.A O no hydrogen 3.115 N/A GLY 206.A N ILE 203.A O no hydrogen 3.032 N/A VAL 207.A N ALA 202.A O no hydrogen 3.043 N/A ALA 208.A N ILE 186.A O no hydrogen 2.870 N/A LYS 209.A NZ GLN 48.A OE1 no hydrogen 3.087 N/A LYS 209.A NZ HIS 80.A NE2 no hydrogen 3.279 N/A LYS 209.A NZ GLU 132.A OE1 no hydrogen 2.711 N/A LYS 209.A NZ ASN 211.A OD1 no hydrogen 2.849 N/A VAL 210.A N ILE 20.A O no hydrogen 3.014 N/A ASN 211.A N LEU 188.A O no hydrogen 3.093 N/A VAL 212.A N ALA 22.A O no hydrogen 2.945 N/A LEU 216.A N ASP 213.A O no hydrogen 2.917 N/A ARG 217.A N ASP 213.A O no hydrogen 3.100 N/A ARG 217.A NE ASP 213.A OD1 no hydrogen 2.872 N/A ARG 217.A NH2 ASP 213.A OD2 no hydrogen 3.156 N/A GLN 218.A N THR 214.A O no hydrogen 2.807 N/A ALA 219.A N GLU 215.A O no hydrogen 3.146 N/A PHE 220.A N LEU 216.A O no hydrogen 2.859 N/A THR 221.A N ARG 217.A O no hydrogen 2.878 N/A THR 221.A OG1 ARG 217.A O no hydrogen 2.830 N/A GLN 222.A N GLN 218.A O no hydrogen 3.008 N/A GLY 223.A N ALA 219.A O no hydrogen 3.154 N/A LEU 224.A N PHE 220.A O no hydrogen 3.110 N/A CYS 225.A N THR 221.A O no hydrogen 2.956 N/A CYS 225.A SG THR 221.A O no hydrogen 3.340 N/A GLU 226.A N GLN 222.A O no hydrogen 3.081 N/A VAL 227.A N GLY 223.A O no hydrogen 3.274 N/A LEU 228.A N LEU 224.A O no hydrogen 2.956 N/A THR 229.A N CYS 225.A O no hydrogen 2.471 N/A ASN 230.A N GLU 226.A O no hydrogen 3.226 N/A ASP 231.A N VAL 227.A O no hydrogen 2.990 N/A GLU 233.A N ASP 231.A OD1 no hydrogen 3.094 N/A GLU 234.A N ASP 231.A O no hydrogen 3.206 N/A ALA 236.A N GLU 234.A OE2 no hydrogen 2.864 N/A VAL 239.A N ALA 236.A O no hydrogen 2.847 N/A SER 240.A N ALA 236.A O no hydrogen 3.031 N/A SER 240.A OG ALA 236.A O no hydrogen 3.199 N/A GLY 242.A N LEU 237.A O no hydrogen 3.149 N/A HIS 243.A N VAL 239.A O no hydrogen 2.974 N/A HIS 243.A NE2 GLU 226.A OE1 no hydrogen 3.100 N/A GLY 244.A N SER 240.A O no hydrogen 3.187 N/A ARG 245.A N LEU 241.A O no hydrogen 2.863 N/A ASP 246.A N GLY 242.A O no hydrogen 2.948 N/A VAL 247.A N HIS 243.A O no hydrogen 2.855 N/A MET 248.A N GLY 244.A O no hydrogen 2.830 N/A LYS 249.A N ARG 245.A O no hydrogen 2.754 N/A LYS 249.A NZ GLU 40.A OE2 no hydrogen 2.634 N/A GLU 250.A N ASP 246.A O no hydrogen 3.055 N/A LYS 251.A N VAL 247.A O no hydrogen 3.179 N/A LYS 251.A NZ GLU 254.A OE1 no hydrogen 2.781 N/A VAL 252.A N MET 248.A O no hydrogen 2.908 N/A ILE 253.A N LYS 249.A O no hydrogen 2.943 N/A GLU 254.A N GLU 250.A O no hydrogen 2.991 N/A LYS 255.A N LYS 251.A O no hydrogen 2.921 N/A LYS 255.A NZ GLU 215.A OE1 no hydrogen 3.327 N/A LYS 255.A NZ GLU 215.A OE2 no hydrogen 2.816 N/A ILE 256.A N VAL 252.A O no hydrogen 2.886 N/A ARG 257.A N ILE 253.A O no hydrogen 3.031 N/A ARG 257.A NE GLU 41.A OE1 no hydrogen 2.891 N/A ARG 257.A NH2 GLU 41.A OE1 no hydrogen 3.481 N/A ARG 257.A NH2 GLU 41.A OE2 no hydrogen 2.809 N/A LEU 258.A N GLU 254.A O no hydrogen 3.000 N/A PHE 259.A N LYS 255.A O no hydrogen 2.833 N/A GLY 260.A N ILE 256.A O no hydrogen 3.001 N/A GLY 260.A N ARG 257.A O no hydrogen 3.251 N/A SER 261.A N ILE 256.A O no hydrogen 3.212 N/A SER 261.A OG SER 43.A OG no hydrogen 2.548 N/A GLY 263.A N GLU 41.A O no hydrogen 2.905 N/A LYS 264.A N SER 261.A O no hydrogen 3.094 N/A LYS 264.A NZ GLY 260.A O no hydrogen 2.978 N/A ALA 265.A N GLN 42.A O no hydrogen 3.013 N/A GLN 267.A N LYS 264.A O no hydrogen 2.930 N/A PHE 268.A N ALA 265.A O no hydrogen 3.077 N/A