Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qk4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N HIS 191.A O no hydrogen 3.468 N/A LEU 11.A N PRO 7.A O no hydrogen 3.189 N/A GLN 12.A N GLU 8.A O no hydrogen 2.909 N/A GLN 12.A NE2 GLU 8.A OE1 no hydrogen 3.077 N/A LEU 13.A N LEU 9.A O no hydrogen 2.904 N/A LEU 14.A N ILE 10.A O no hydrogen 2.893 N/A GLN 15.A N LEU 11.A O no hydrogen 2.923 N/A LEU 16.A N LEU 13.A O no hydrogen 3.132 N/A GLU 17.A N LEU 14.A O no hydrogen 3.479 N/A GLN 22.A N ASP 19.A OD2 no hydrogen 3.029 N/A VAL 23.A N ASP 19.A O no hydrogen 3.183 N/A ARG 24.A N GLU 20.A O no hydrogen 2.903 N/A ALA 25.A N ASP 21.A O no hydrogen 2.906 N/A ARG 26.A N GLN 22.A O no hydrogen 2.901 N/A ARG 26.A NH1 GLN 54.A OE1 no hydrogen 3.084 N/A ARG 26.A NH2 GLN 54.A OE1 no hydrogen 3.420 N/A ARG 26.A NH2 SER 58.A OG no hydrogen 2.903 N/A ILE 27.A N VAL 23.A O no hydrogen 2.905 N/A LEU 28.A N ARG 24.A O no hydrogen 2.906 N/A GLY 29.A N ALA 25.A O no hydrogen 2.903 N/A SER 30.A N ARG 26.A O no hydrogen 2.902 N/A LEU 31.A N ILE 27.A O no hydrogen 2.897 N/A LEU 31.A N LEU 28.A O no hydrogen 3.034 N/A GLN 32.A N LEU 28.A O no hydrogen 2.911 N/A ARG 38.A NE ASP 40.A OD1 no hydrogen 3.257 N/A ARG 38.A NH1 ASN 227.A O no hydrogen 2.975 N/A ARG 38.A NH2 ASP 40.A OD1 no hydrogen 3.397 N/A ARG 38.A NH2 ASP 40.A OD2 no hydrogen 3.054 N/A GLN 41.A N ARG 38.A O no hydrogen 3.396 N/A GLN 41.A NE2 GLU 228.A O no hydrogen 3.003 N/A GLN 41.A NE2 GLU 228.A OE1 no hydrogen 2.400 N/A PHE 45.A N PRO 42.A O no hydrogen 3.050 N/A LEU 47.A N ALA 43.A O no hydrogen 2.918 N/A LEU 48.A N ALA 44.A O no hydrogen 2.897 N/A CYS 49.A N PHE 45.A O no hydrogen 2.914 N/A CYS 49.A SG PHE 45.A O no hydrogen 3.303 N/A ARG 50.A N GLY 46.A O no hydrogen 2.910 N/A ARG 50.A NH1 GLU 33.A O no hydrogen 3.563 N/A ARG 50.A NH2 SER 30.A O no hydrogen 2.558 N/A MET 51.A N LEU 47.A O no hydrogen 2.900 N/A ALA 52.A N LEU 48.A O no hydrogen 2.911 N/A ASP 53.A N CYS 49.A O no hydrogen 2.915 N/A GLN 54.A N ARG 50.A O no hydrogen 2.905 N/A THR 55.A N MET 51.A O no hydrogen 2.906 N/A THR 55.A OG1 MET 51.A O no hydrogen 2.704 N/A PHE 56.A N ALA 52.A O no hydrogen 2.919 N/A ILE 57.A N ASP 53.A O no hydrogen 2.898 N/A SER 58.A N GLN 54.A O no hydrogen 2.917 N/A SER 58.A OG GLN 54.A O no hydrogen 3.370 N/A ILE 59.A N THR 55.A O no hydrogen 2.918 N/A VAL 60.A N PHE 56.A O no hydrogen 2.894 N/A ASP 61.A N ILE 57.A O no hydrogen 2.910 N/A TRP 62.A N SER 58.A O no hydrogen 2.907 N/A ALA 63.A N ILE 59.A O no hydrogen 2.904 N/A ARG 64.A N VAL 60.A O no hydrogen 2.906 N/A ARG 65.A N TRP 62.A O no hydrogen 3.308 N/A ARG 65.A NH2 LEU 16.A O no hydrogen 2.432 N/A CYS 66.A N ALA 63.A O no hydrogen 2.909 N/A CYS 66.A SG TRP 62.A O no hydrogen 3.328 N/A PHE 69.A N MET 67.A O no hydrogen 2.498 N/A LYS 70.A N CYS 66.A O no hydrogen 3.092 N/A GLU 71.A N VAL 68.A O no hydrogen 3.051 N/A LEU 72.A N PHE 69.A O no hydrogen 3.243 N/A GLN 77.A N GLU 73.A O no hydrogen 3.389 N/A GLN 77.A NE2 PHE 69.A O no hydrogen 2.682 N/A MET 78.A N VAL 74.A O no hydrogen 2.897 N/A THR 79.A N ALA 75.A O no hydrogen 2.908 N/A THR 79.A OG1 ALA 75.A O no hydrogen 2.905 N/A LEU 80.A N ASP 76.A O no hydrogen 2.906 N/A LEU 81.A N GLN 77.A O no hydrogen 2.910 N/A GLN 82.A N MET 78.A O no hydrogen 2.896 N/A ASN 83.A N LEU 80.A O no hydrogen 2.961 N/A ASN 83.A ND2 SER 161.A O no hydrogen 3.107 N/A CYS 84.A N LEU 80.A O no hydrogen 2.909 N/A CYS 84.A N LEU 81.A O no hydrogen 3.272 N/A CYS 84.A SG LEU 80.A O no hydrogen 3.238 N/A CYS 84.A SG LEU 159.A O no hydrogen 3.908 N/A SER 86.A OG.A GLU 87.A OE1.A no hydrogen 2.811 N/A SER 86.A OG.B SER 213.A O no hydrogen 3.038 N/A GLU 87.A N GLU 87.A OE1.A no hydrogen 2.550 N/A LEU 88.A N CYS 84.A O no hydrogen 2.903 N/A LEU 89.A N TRP 85.A O no hydrogen 2.933 N/A VAL 90.A N SER 86.A O no hydrogen 2.896 N/A PHE 91.A N GLU 87.A O no hydrogen 2.908 N/A ASP 92.A N LEU 88.A O no hydrogen 2.903 N/A HIS 93.A N LEU 89.A O no hydrogen 2.918 N/A ILE 94.A N VAL 90.A O no hydrogen 2.896 N/A TYR 95.A N PHE 91.A O no hydrogen 2.906 N/A ARG 96.A N ASP 92.A O no hydrogen 2.914 N/A ARG 96.A NH1 ASP 92.A OD2 no hydrogen 2.879 N/A ARG 96.A NH2 ASP 92.A OD2 no hydrogen 2.588 N/A GLN 97.A N HIS 93.A O no hydrogen 2.919 N/A GLN 97.A NE2 HIS 93.A O no hydrogen 3.521 N/A GLN 97.A NE2 LEU 107.A O no hydrogen 2.582 N/A VAL 98.A N ILE 94.A O no hydrogen 2.905 N/A GLN 99.A N TYR 95.A O no hydrogen 2.894 N/A HIS 100.A N ARG 96.A O no hydrogen 3.340 N/A LYS 102.A NZ GLU 113.A OE2 no hydrogen 2.815 N/A SER 105.A N LYS 102.A O no hydrogen 3.018 N/A ILE 106.A N VAL 114.A O no hydrogen 2.891 N/A LEU 107.A N GLN 97.A OE1 no hydrogen 2.770 N/A LEU 108.A N GLN 112.A O no hydrogen 3.219 N/A THR 110.A OG1 GLN 112.A OE1 no hydrogen 3.231 N/A GLY 111.A N LEU 108.A O no hydrogen 3.194 N/A VAL 114.A N ILE 106.A O no hydrogen 2.909 N/A LEU 116.A N GLY 104.A O no hydrogen 3.109 N/A VAL 119.A N GLU 115.A O no hydrogen 3.392 N/A ALA 120.A N LEU 116.A O no hydrogen 2.894 N/A THR 121.A N THR 117.A O no hydrogen 2.916 N/A THR 121.A N THR 118.A O no hydrogen 3.312 N/A THR 121.A OG1 THR 117.A O no hydrogen 3.121 N/A THR 121.A OG1 THR 118.A O no hydrogen 3.307 N/A GLN 122.A N THR 118.A O no hydrogen 2.898 N/A GLN 122.A NE2 THR 121.A OG1 no hydrogen 3.303 N/A ALA 123.A N VAL 119.A O no hydrogen 3.090 N/A HIS 128.A N GLY 124.A O no hydrogen 3.043 N/A SER 129.A N SER 125.A O no hydrogen 2.906 N/A SER 129.A OG SER 125.A O no hydrogen 2.822 N/A LEU 130.A N LEU 126.A O no hydrogen 2.908 N/A VAL 131.A N LEU 127.A O no hydrogen 2.903 N/A LEU 132.A N HIS 128.A O no hydrogen 2.916 N/A ARG 133.A N SER 129.A O no hydrogen 2.903 N/A ARG 133.A NE GLU 208.A OE2 no hydrogen 2.361 N/A ARG 133.A NH2 GLU 208.A OE1 no hydrogen 3.213 N/A ALA 134.A N LEU 130.A O no hydrogen 2.909 N/A GLN 135.A N VAL 131.A O no hydrogen 2.900 N/A GLU 136.A N LEU 132.A O no hydrogen 2.907 N/A LEU 137.A N ARG 133.A O no hydrogen 2.922 N/A VAL 138.A N ALA 134.A O no hydrogen 2.902 N/A LEU 139.A N GLN 135.A O no hydrogen 2.905 N/A GLN 140.A N GLU 136.A O no hydrogen 2.914 N/A LEU 141.A N LEU 137.A O no hydrogen 2.904 N/A LEU 142.A N VAL 138.A O no hydrogen 2.900 N/A ALA 143.A N LEU 139.A O no hydrogen 2.909 N/A LEU 144.A N GLN 140.A O no hydrogen 3.071 N/A GLN 145.A N LEU 142.A O no hydrogen 3.186 N/A LEU 146.A N LEU 141.A O no hydrogen 3.204 N/A ASP 147.A N GLU 150.A OE1 no hydrogen 3.243 N/A GLN 149.A N GLN 149.A OE1 no hydrogen 2.633 N/A GLU 150.A N ASP 147.A OD1 no hydrogen 2.921 N/A PHE 151.A N ASP 147.A O no hydrogen 2.977 N/A VAL 152.A N ARG 148.A O no hydrogen 2.909 N/A CYS 153.A N GLN 149.A O no hydrogen 2.929 N/A CYS 153.A SG ALA 180.A O no hydrogen 3.792 N/A LEU 154.A N GLU 150.A O no hydrogen 2.891 N/A LYS 155.A N PHE 151.A O no hydrogen 2.909 N/A LYS 155.A NZ GLU 17.A OE1 no hydrogen 2.970 N/A LYS 155.A NZ GLU 17.A OE2 no hydrogen 2.956 N/A PHE 156.A N VAL 152.A O no hydrogen 2.922 N/A ILE 157.A N CYS 153.A O no hydrogen 2.905 N/A ILE 158.A N LEU 154.A O no hydrogen 2.895 N/A LEU 159.A N LYS 155.A O no hydrogen 2.915 N/A PHE 160.A N ILE 157.A O no hydrogen 3.224 N/A SER 161.A N ILE 158.A O no hydrogen 3.128 N/A SER 161.A OG ILE 157.A O no hydrogen 2.543 N/A LEU 162.A N PHE 160.A O no hydrogen 2.991 N/A LYS 165.A N ASP 163.A OD1 no hydrogen 3.278 N/A PHE 166.A N ASP 163.A O no hydrogen 3.431 N/A LEU 167.A N LEU 164.A O no hydrogen 3.160 N/A ASN 168.A N ASP 76.A OD1 no hydrogen 2.795 N/A LYS 174.A N HIS 170.A O no hydrogen 2.901 N/A LYS 174.A NZ GLU 178.A OE2 no hydrogen 2.470 N/A ASP 175.A N ILE 171.A O no hydrogen 2.904 N/A ALA 176.A N LEU 172.A O no hydrogen 2.915 N/A GLN 177.A N VAL 173.A O no hydrogen 2.893 N/A GLN 177.A NE2 PHE 160.A O no hydrogen 2.785 N/A GLN 177.A NE2 LEU 162.A O no hydrogen 3.199 N/A GLU 178.A N LYS 174.A O no hydrogen 2.921 N/A LYS 179.A N ASP 175.A O no hydrogen 2.907 N/A ALA 180.A N ALA 176.A O no hydrogen 2.905 N/A ASN 181.A N GLN 177.A O no hydrogen 2.912 N/A ALA 182.A N GLU 178.A O no hydrogen 2.910 N/A ALA 183.A N LYS 179.A O no hydrogen 2.903 N/A LEU 184.A N ALA 180.A O no hydrogen 2.915 N/A LEU 185.A N ASN 181.A O no hydrogen 2.907 N/A ASP 186.A N ALA 182.A O no hydrogen 2.903 N/A TYR 187.A N ALA 183.A O no hydrogen 2.911 N/A TYR 187.A OH GLY 2.A O no hydrogen 3.420 N/A TYR 187.A OH ASP 147.A OD2 no hydrogen 2.778 N/A THR 188.A N LEU 184.A O no hydrogen 2.908 N/A THR 188.A OG1 LEU 184.A O no hydrogen 2.824 N/A THR 188.A OG1 LEU 185.A O no hydrogen 2.910 N/A LEU 189.A N LEU 185.A O no hydrogen 2.902 N/A CYS 190.A N ASP 186.A O no hydrogen 2.914 N/A CYS 190.A N TYR 187.A O no hydrogen 3.132 N/A CYS 190.A SG ASP 186.A O no hydrogen 3.167 N/A CYS 190.A SG ASP 186.A OD1 no hydrogen 3.330 N/A HIS 191.A ND1 TYR 187.A O no hydrogen 3.063 N/A TYR 192.A N THR 188.A O no hydrogen 3.152 N/A LYS 198.A NZ LEU 144.A O no hydrogen 3.352 N/A LYS 198.A NZ GLN 145.A O no hydrogen 3.153 N/A LYS 198.A NZ GLU 150.A OE1 no hydrogen 3.000 N/A LYS 198.A NZ GLU 150.A OE2 no hydrogen 2.738 N/A GLN 201.A N ASP 197.A O no hydrogen 2.998 N/A LEU 202.A N LYS 198.A O no hydrogen 2.892 N/A LEU 203.A N PHE 199.A O no hydrogen 2.936 N/A LEU 204.A N GLN 200.A O no hydrogen 2.906 N/A CYS 205.A N GLN 201.A O no hydrogen 2.914 N/A CYS 205.A SG GLN 201.A O no hydrogen 3.368 N/A LEU 206.A N LEU 202.A O no hydrogen 2.902 N/A VAL 207.A N LEU 203.A O no hydrogen 2.927 N/A GLU 208.A N LEU 204.A O no hydrogen 2.926 N/A VAL 209.A N CYS 205.A O no hydrogen 2.890 N/A ARG 210.A N LEU 206.A O no hydrogen 2.903 N/A ARG 210.A NE GLU 87.A OE1.B no hydrogen 3.209 N/A ALA 211.A N VAL 207.A O no hydrogen 2.940 N/A LEU 212.A N GLU 208.A O no hydrogen 2.907 N/A SER 213.A N VAL 209.A O no hydrogen 2.891 N/A SER 213.A OG VAL 209.A O no hydrogen 2.361 N/A MET 214.A N ARG 210.A O no hydrogen 2.916 N/A GLN 215.A N ALA 211.A O no hydrogen 2.943 N/A ALA 216.A N LEU 212.A O no hydrogen 2.910 N/A LYS 217.A N SER 213.A O no hydrogen 2.901 N/A GLU 218.A N MET 214.A O no hydrogen 2.922 N/A TYR 219.A N GLN 215.A O no hydrogen 2.916 N/A LEU 220.A N ALA 216.A O no hydrogen 2.920 N/A TYR 221.A N LYS 217.A O no hydrogen 2.891 N/A HIS 222.A N GLU 218.A O no hydrogen 2.915 N/A LYS 223.A N TYR 219.A O no hydrogen 2.941 N/A HIS 224.A N LEU 220.A O no hydrogen 2.905 N/A LEU 225.A N TYR 221.A O no hydrogen 2.906 N/A GLY 226.A N HIS 222.A O no hydrogen 3.361 N/A ASN 227.A N HIS 224.A O no hydrogen 3.058 N/A GLU 228.A N LYS 223.A O no hydrogen 2.978 N/A LEU 234.A N ASP 53.A OD2 no hydrogen 2.816 N/A ILE 236.A N ASN 233.A OD1 no hydrogen 2.923 N/A GLU 237.A N ASN 233.A O no hydrogen 3.074 N/A MET 238.A N LEU 234.A O no hydrogen 2.905 N/A LEU 239.A N LEU 235.A O no hydrogen 2.898 N/A GLN 240.A N ILE 236.A O no hydrogen 2.853 N/A