Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7zrr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N GLY 141.A O no hydrogen 3.195 N/A ILE 1.A N LYS 142.A O no hydrogen 3.031 N/A ILE 1.A N ASP 197.A OD1 no hydrogen 3.549 N/A ILE 1.A N ASP 197.A OD2 no hydrogen 2.769 N/A ILE 2.A N ASP 192.A O no hydrogen 2.737 N/A GLU 5.A N MET 156.A O no hydrogen 2.932 N/A THR 7.A N LEU 154.A O no hydrogen 2.839 N/A THR 7.A OG1 THR 8.A O.A no hydrogen 3.528 N/A THR 7.A OG1 THR 8.A O.B no hydrogen 3.554 N/A THR 8.A OG1.A GLU 10.A OE1 no hydrogen 3.330 N/A THR 8.A OG1.B GLU 10.A OE1 no hydrogen 2.963 N/A THR 8.A OG1.B SER 64.A OG no hydrogen 2.887 N/A ILE 9.A N SER 64.A OG no hydrogen 2.821 N/A GLU 10.A N GLU 10.A OE1 no hydrogen 2.810 N/A ASN 11.A N THR 8.A O.A no hydrogen 3.029 N/A ASN 11.A N THR 8.A O.B no hydrogen 2.948 N/A GLN 12.A N ILE 9.A O no hydrogen 2.945 N/A GLN 12.A NE2 GLU 136.A OE2 no hydrogen 2.729 N/A TRP 14.A NE1 GLN 12.A OE1 no hydrogen 3.106 N/A PHE 15.A N GLN 12.A O no hydrogen 2.954 N/A ALA 16.A N GLY 33.A O no hydrogen 2.906 N/A ALA 17.A N TYR 60.A O no hydrogen 2.981 N/A ILE 18.A N CYS 31.A O no hydrogen 3.042 N/A TYR 19.A N ILE 58.A O no hydrogen 2.821 N/A TYR 19.A OH LEU 66.A O no hydrogen 2.608 N/A ARG 20.A N THR 28.A O no hydrogen 2.812 N/A ARG 21.A N ASP 56.A O no hydrogen 2.743 N/A ARG 21.A NH1 GLU 55.A O no hydrogen 3.301 N/A ARG 21.A NH2 GLU 77.A OE2 no hydrogen 3.548 N/A HIS 22.A N SER 26.A O no hydrogen 2.757 N/A GLY 25.A N HIS 22.A O no hydrogen 2.749 N/A THR 28.A N ARG 20.A O no hydrogen 3.031 N/A VAL 30.A N ILE 18.A O no hydrogen 2.819 N/A CYS 31.A N ILE 18.A O no hydrogen 3.378 N/A CYS 31.A SG VAL 30.A O no hydrogen 2.974 N/A GLY 32.A N SER 198.A O no hydrogen 2.867 N/A GLY 33.A N ALA 16.A O no hydrogen 2.823 N/A SER 34.A N ILE 42.A O no hydrogen 2.818 N/A LEU 35.A N TRP 14.A O no hydrogen 2.787 N/A ILE 36.A N TRP 40.A O no hydrogen 2.942 N/A SER 37.A N TRP 40.A O no hydrogen 3.468 N/A TRP 40.A N SER 37.A O no hydrogen 3.074 N/A VAL 41.A N LEU 101.A O no hydrogen 2.809 N/A ILE 42.A N SER 34.A O no hydrogen 2.821 N/A SER 43.A N ALA 99.A O no hydrogen 2.926 N/A SER 43.A OG GLY 32.A O no hydrogen 2.788 N/A THR 45.A OG1 ILE 98.A O no hydrogen 2.659 N/A HIS 46.A N ASP 97.A OD1 no hydrogen 2.812 N/A HIS 46.A ND1 ASP 97.A OD2 no hydrogen 2.663 N/A HIS 46.A NE2 SER 198.A OG no hydrogen 2.892 N/A CYS 47.A N ALA 44.A O no hydrogen 3.127 N/A PHE 48.A N THR 45.A O no hydrogen 2.881 N/A TYR 51.A N PHE 48.A O no hydrogen 2.888 N/A LYS 54.A NZ GLU 79.A O no hydrogen 3.047 N/A GLU 55.A N GLU 55.A OE1 no hydrogen 2.887 N/A ASP 56.A N LYS 53.A O no hydrogen 3.126 N/A TYR 57.A N LYS 54.A O no hydrogen 3.110 N/A TYR 57.A OH TYR 51.A O no hydrogen 2.650 N/A ILE 58.A N TYR 19.A O no hydrogen 2.926 N/A VAL 59.A N PHE 76.A O no hydrogen 2.945 N/A TYR 60.A N ALA 17.A O no hydrogen 2.839 N/A LEU 61.A N MET 74.A O no hydrogen 2.939 N/A ARG 63.A NE ARG 65.A O.A no hydrogen 2.895 N/A ARG 63.A NE ARG 65.A O.B no hydrogen 2.876 N/A ARG 63.A NH1 GLU 73.A OE1 no hydrogen 3.058 N/A ARG 63.A NH2 LEU 66.A O no hydrogen 3.232 N/A SER 64.A N THR 70.A OG1 no hydrogen 3.107 N/A SER 64.A OG THR 8.A OG1.B no hydrogen 2.887 N/A ARG 65.A NH2.A GLN 153.A OE1 no hydrogen 3.430 N/A LEU 66.A N GLU 152.A O no hydrogen 2.834 N/A ASN 67.A N GLU 152.A OE1 no hydrogen 2.860 N/A ASN 67.A ND2 GLU 152.A OE2 no hydrogen 2.392 N/A ASN 69.A ND2 GLU 73.A OE1 no hydrogen 3.487 N/A ASN 69.A ND2 GLU 73.A OE2 no hydrogen 2.498 N/A THR 70.A N GLU 73.A OE1 no hydrogen 3.087 N/A GLU 73.A N THR 70.A O no hydrogen 3.215 N/A MET 74.A N LEU 61.A O no hydrogen 2.855 N/A PHE 76.A N VAL 59.A O no hydrogen 2.770 N/A GLU 77.A N ARG 104.A O no hydrogen 2.886 N/A GLU 79.A N LYS 102.A O no hydrogen 2.731 N/A ASN 80.A N LYS 102.A O no hydrogen 3.477 N/A ILE 82.A N LEU 100.A O no hydrogen 2.714 N/A HIS 84.A N THR 45.A OG1 no hydrogen 3.013 N/A ASP 86.A N HIS 84.A ND1 no hydrogen 3.060 N/A TYR 87.A N HIS 84.A O no hydrogen 3.079 N/A SER 88.A N HIS 95.A O no hydrogen 3.315 N/A ASP 90.A N ALA 93.A O no hydrogen 2.893 N/A LEU 92.A N ASP 90.A OD1 no hydrogen 2.746 N/A ALA 93.A N ASP 90.A OD1 no hydrogen 2.732 N/A HIS 94.A ND1 LEU 92.A O no hydrogen 3.176 N/A HIS 95.A N SER 88.A O no hydrogen 2.685 N/A ASN 96.A ND2 ASP 86.A O no hydrogen 2.976 N/A ILE 98.A N ASN 96.A O no hydrogen 3.009 N/A ALA 99.A N SER 43.A O no hydrogen 2.883 N/A LEU 100.A N ILE 82.A O no hydrogen 2.772 N/A LEU 101.A N VAL 41.A O no hydrogen 2.747 N/A LYS 102.A N ASN 80.A O no hydrogen 2.793 N/A LYS 102.A NZ GLU 79.A OE2 no hydrogen 3.515 N/A ILE 103.A N CYS 39.A O no hydrogen 2.863 N/A ARG 104.A N GLU 77.A O no hydrogen 3.046 N/A SER 105.A N ARG 109.A O no hydrogen 2.873 N/A SER 105.A OG ARG 109.A O no hydrogen 3.444 N/A GLY 108.A N SER 105.A O no hydrogen 2.707 N/A ARG 109.A N SER 105.A OG no hydrogen 3.092 N/A CYS 110.A SG ILE 103.A O no hydrogen 3.788 N/A ALA 111.A N PRO 38.A O no hydrogen 2.759 N/A SER 114.A N ILE 117.A O no hydrogen 2.786 N/A SER 114.A OG THR 116.A OG1 no hydrogen 3.207 N/A THR 116.A N SER 114.A OG no hydrogen 3.084 N/A THR 116.A OG1 GLY 72.A O no hydrogen 2.974 N/A THR 116.A OG1 SER 114.A OG no hydrogen 3.207 N/A ILE 117.A N SER 114.A O no hydrogen 3.320 N/A GLN 118.A N PRO 13.A O no hydrogen 3.060 N/A GLN 118.A NE2 SER 114.A O no hydrogen 2.915 N/A ILE 120.A N LEU 35.A O no hydrogen 2.847 N/A TYR 126.A N SER 235.A O no hydrogen 2.958 N/A ASN 127.A N SER 124.A O no hydrogen 2.721 N/A GLY 132.A N LEU 161.A O no hydrogen 2.821 N/A THR 133.A N GLN 130.A O.A no hydrogen 3.141 N/A THR 133.A N GLN 130.A O.B no hydrogen 3.126 N/A THR 133.A OG1 GLN 130.A O.A no hydrogen 2.320 N/A THR 133.A OG1 GLN 130.A O.B no hydrogen 2.345 N/A CYS 135.A N VAL 159.A O no hydrogen 2.701 N/A GLU 136.A N VAL 203.A O no hydrogen 2.887 N/A ILE 137.A N THR 157.A O no hydrogen 2.974 N/A THR 138.A OG1 LYS 155.A O no hydrogen 2.707 N/A GLY 139.A N LYS 155.A O no hydrogen 2.961 N/A GLY 141.A N ASP 197.A OD1 no hydrogen 2.736 N/A LYS 142.A N GLN 195.A O no hydrogen 2.842 N/A LYS 142.A NZ SER 145.A O no hydrogen 3.483 N/A LYS 142.A NZ ASP 147.A O no hydrogen 2.905 N/A LYS 142.A NZ GLN 195.A OE1 no hydrogen 3.392 N/A ASP 147.A N GLN 144.A O no hydrogen 2.982 N/A GLN 153.A NE2 THR 7.A O no hydrogen 2.629 N/A LEU 154.A N SER 64.A O no hydrogen 2.978 N/A LYS 155.A N GLY 139.A O no hydrogen 3.123 N/A LYS 155.A NZ ILE 1.A O no hydrogen 2.991 N/A LYS 155.A NZ GLY 3.A O no hydrogen 2.966 N/A LYS 155.A NZ GLU 143.A OE2 no hydrogen 2.829 N/A MET 156.A N GLU 5.A O no hydrogen 2.977 N/A THR 157.A N ILE 137.A O no hydrogen 2.908 N/A THR 157.A OG1 THR 191.A OG1 no hydrogen 2.626 N/A VAL 159.A N CYS 135.A O no hydrogen 2.829 N/A LYS 160.A N ALA 185.A O no hydrogen 2.805 N/A LEU 161.A N THR 133.A O no hydrogen 2.929 N/A ILE 162.A N CYS 183.A O no hydrogen 2.921 N/A GLU 166.A N SER 163.A OG no hydrogen 3.109 N/A CYS 167.A N SER 163.A O no hydrogen 2.848 N/A GLN 168.A N HIS 164.A O no hydrogen 2.746 N/A GLN 168.A NE2 VAL 177.A O no hydrogen 2.629 N/A GLN 169.A N GLU 166.A O no hydrogen 3.306 N/A GLN 169.A NE2 GLU 166.A O no hydrogen 3.035 N/A TYR 172.A N GLN 169.A O no hydrogen 2.818 N/A TYR 173.A N CYS 167.A O no hydrogen 3.063 N/A TYR 173.A OH PRO 228.A O no hydrogen 2.720 N/A GLY 174.A N GLN 169.A O no hydrogen 3.100 N/A GLU 176.A N TYR 173.A O no hydrogen 3.224 N/A LYS 180.A N THR 178.A OG1 no hydrogen 3.186 N/A MET 181.A N THR 178.A O no hydrogen 3.162 N/A LEU 182.A N TYR 231.A O no hydrogen 2.853 N/A ALA 184.A N GLY 229.A O no hydrogen 3.016 N/A ALA 185.A N LYS 160.A O no hydrogen 3.046 N/A TRP 189.A N ASP 186.A O no hydrogen 2.912 N/A LYS 190.A N.A ASP 186.A OD2 no hydrogen 2.912 N/A LYS 190.A N.B ASP 186.A OD2 no hydrogen 2.920 N/A LYS 190.A NZ.B GLN 188.A O no hydrogen 3.144 N/A THR 191.A OG1 ILE 2.A O no hydrogen 2.521 N/A THR 191.A OG1 THR 157.A OG1 no hydrogen 2.626 N/A ASP 192.A N ILE 2.A O no hydrogen 3.143 N/A SER 193.A N ASP 192.A OD1 no hydrogen 2.949 N/A CYS 194.A N ASP 197.A OD2 no hydrogen 2.850 N/A ASP 197.A N CYS 194.A O no hydrogen 2.911 N/A SER 198.A OG HIS 46.A NE2 no hydrogen 2.892 N/A GLY 199.A N VAL 216.A O no hydrogen 2.956 N/A GLY 200.A N ASP 197.A O no hydrogen 3.166 N/A LEU 202.A N GLY 214.A O no hydrogen 2.943 N/A VAL 203.A N GLU 136.A O no hydrogen 2.809 N/A CYS 204.A N THR 211.A O no hydrogen 2.949 N/A LEU 206.A N ARG 209.A O no hydrogen 2.876 N/A GLN 207.A NE2 GLN 207.A O no hydrogen 2.791 N/A ARG 209.A N LEU 206.A O no hydrogen 2.865 N/A THR 211.A N CYS 204.A O no hydrogen 2.803 N/A THR 211.A OG1 ARG 209.A O no hydrogen 2.983 N/A LEU 212.A N ALA 121.A O no hydrogen 2.869 N/A THR 213.A N LEU 202.A O no hydrogen 2.977 N/A GLY 214.A N LEU 202.A O no hydrogen 3.176 N/A ILE 215.A N THR 232.A O no hydrogen 3.251 N/A VAL 216.A N GLY 200.A O no hydrogen 2.844 N/A SER 217.A N VAL 230.A O no hydrogen 2.998 N/A SER 217.A OG ASP 97.A OD2 no hydrogen 2.785 N/A TRP 218.A N VAL 230.A O no hydrogen 3.001 N/A ARG 220.A N TYR 173.A OH no hydrogen 3.053 N/A ALA 223.A N ASP 192.A OD2 no hydrogen 2.769 N/A LYS 225.A NZ ASP 226.A OD2 no hydrogen 3.474 N/A LYS 227.A N LEU 224.A O no hydrogen 3.127 N/A LYS 227.A NZ HIS 171.A O no hydrogen 3.004 N/A LYS 227.A NZ TYR 172.A O no hydrogen 2.691 N/A GLY 229.A N ALA 184.A O no hydrogen 2.835 N/A VAL 230.A N TRP 218.A O no hydrogen 2.746 N/A TYR 231.A N LEU 182.A O no hydrogen 2.831 N/A THR 232.A N ILE 215.A O no hydrogen 2.867 N/A THR 232.A OG1 ASP 97.A O no hydrogen 2.779 N/A ARG 233.A N LYS 180.A O no hydrogen 3.049 N/A ARG 233.A NE ASP 128.A OD2 no hydrogen 2.609 N/A ARG 233.A NH1 THR 179.A O no hydrogen 2.966 N/A ARG 233.A NH2 ASP 128.A OD2 no hydrogen 3.039 N/A VAL 234.A N THR 213.A O no hydrogen 3.188 N/A SER 235.A OG ASP 128.A OD1 no hydrogen 2.762 N/A SER 235.A OG ASP 128.A OD2 no hydrogen 3.130 N/A SER 235.A OG HIS 236.A ND1 no hydrogen 3.375 N/A HIS 236.A N ARG 233.A O no hydrogen 2.991 N/A PHE 237.A N VAL 234.A O no hydrogen 2.810 N/A ILE 241.A N PHE 237.A O no hydrogen 2.871 N/A ARG 242.A N LEU 238.A O no hydrogen 2.721 N/A SER 243.A N PRO 239.A O no hydrogen 2.737 N/A SER 243.A OG PRO 239.A O no hydrogen 3.277 N/A SER 243.A OG TRP 240.A O no hydrogen 3.473 N/A HIS 244.A N ILE 241.A O no hydrogen 3.364 N/A THR 245.A N ARG 242.A O no hydrogen 3.276 N/A THR 245.A OG1 ILE 241.A O no hydrogen 2.806 N/A