Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1tqh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N ALA 43.A O no hydrogen 3.061 N/A PHE 7.A N CYS 41.A O no hydrogen 2.807 N/A ALA 9.A N THR 40.A OG1 no hydrogen 2.889 N/A GLY 10.A N THR 40.A OG1 no hydrogen 3.221 N/A ARG 12.A NH1 TYR 39.A OH no hydrogen 3.052 N/A VAL 14.A N THR 40.A O no hydrogen 2.754 N/A LEU 15.A N ALA 84.A O no hydrogen 2.866 N/A LEU 16.A N HIS 42.A O no hydrogen 2.886 N/A LEU 17.A N ALA 86.A O no hydrogen 2.864 N/A HIS 18.A ND1 GLY 19.A O no hydrogen 2.806 N/A THR 21.A N HIS 49.A NE2 no hydrogen 2.971 N/A THR 21.A OG1 PHE 20.A O no hydrogen 2.514 N/A GLY 22.A N GLY 19.A O no hydrogen 2.951 N/A ASN 23.A N ASP 26.A OD2 no hydrogen 3.155 N/A SER 24.A OG LYS 3.A O no hydrogen 2.585 N/A ALA 25.A N ASN 23.A OD1 no hydrogen 2.809 N/A ASP 26.A N ASN 23.A O no hydrogen 3.080 N/A VAL 27.A N SER 24.A O no hydrogen 3.010 N/A ARG 28.A N ALA 25.A O no hydrogen 3.460 N/A GLY 31.A N VAL 27.A O no hydrogen 2.869 N/A ARG 32.A N ARG 28.A O no hydrogen 2.850 N/A ARG 32.A NH1 GLU 35.A OE1 no hydrogen 3.011 N/A PHE 33.A N MET 29.A O no hydrogen 3.011 N/A LEU 34.A N LEU 30.A O no hydrogen 2.865 N/A GLU 35.A N GLY 31.A O no hydrogen 2.905 N/A SER 36.A N ARG 32.A O no hydrogen 3.042 N/A SER 36.A OG PHE 33.A O no hydrogen 2.746 N/A LYS 37.A N PHE 33.A O no hydrogen 3.233 N/A LYS 37.A N LEU 34.A O no hydrogen 2.955 N/A GLY 38.A N GLU 35.A O no hydrogen 3.107 N/A TYR 39.A N LEU 34.A O no hydrogen 2.959 N/A TYR 39.A OH GLU 238.A OE2 no hydrogen 2.592 N/A THR 40.A N ARG 12.A O no hydrogen 2.901 N/A THR 40.A OG1 GLY 10.A O no hydrogen 2.955 N/A CYS 41.A N PHE 7.A O no hydrogen 2.975 N/A CYS 41.A SG GLY 31.A O no hydrogen 3.905 N/A CYS 41.A SG TYR 39.A O no hydrogen 3.696 N/A HIS 42.A N VAL 14.A O no hydrogen 2.966 N/A HIS 42.A ND1 PHE 5.A O no hydrogen 2.962 N/A ALA 43.A N PHE 5.A O no hydrogen 2.952 N/A TYR 46.A N HIS 18.A NE2 no hydrogen 3.139 N/A TYR 46.A OH HIS 18.A O no hydrogen 2.580 N/A LYS 47.A N ASP 67.A OD2 no hydrogen 2.761 N/A HIS 49.A N TYR 46.A O no hydrogen 3.059 N/A HIS 49.A ND1 LYS 47.A O no hydrogen 2.966 N/A GLU 54.A N GLU 54.A OE2 no hydrogen 2.965 N/A GLU 55.A N PRO 52.A O no hydrogen 2.983 N/A LEU 56.A N PRO 53.A O no hydrogen 2.856 N/A HIS 58.A N GLU 55.A O no hydrogen 3.365 N/A THR 59.A N LEU 56.A O no hydrogen 3.049 N/A THR 59.A OG1 LYS 47.A O no hydrogen 3.554 N/A THR 59.A OG1 LEU 56.A O no hydrogen 2.996 N/A GLY 60.A N ASP 63.A OD2 no hydrogen 3.009 N/A TRP 64.A N GLY 60.A O no hydrogen 3.079 N/A TRP 64.A NE1 THR 59.A OG1 no hydrogen 2.839 N/A TRP 65.A N PRO 61.A O no hydrogen 2.940 N/A ASP 67.A N ASP 63.A O no hydrogen 3.278 N/A VAL 68.A N TRP 64.A O no hydrogen 3.010 N/A MET 69.A N TRP 65.A O no hydrogen 2.917 N/A ASN 70.A N GLN 66.A O no hydrogen 2.835 N/A GLY 71.A N ASP 67.A O no hydrogen 2.911 N/A TYR 72.A N VAL 68.A O no hydrogen 2.980 N/A TYR 72.A OH PRO 103.A O no hydrogen 2.709 N/A GLU 73.A N MET 69.A O no hydrogen 2.926 N/A PHE 74.A N ASN 70.A O no hydrogen 2.801 N/A LEU 75.A N GLY 71.A O no hydrogen 3.300 N/A LYS 76.A N TYR 72.A O no hydrogen 3.086 N/A ASN 77.A N GLU 73.A O no hydrogen 2.842 N/A LYS 78.A N PHE 74.A O no hydrogen 3.145 N/A LYS 78.A N LEU 75.A O no hydrogen 3.032 N/A GLY 79.A N LYS 76.A O no hydrogen 3.101 N/A TYR 80.A N LEU 75.A O no hydrogen 3.241 N/A ALA 84.A N ALA 13.A O no hydrogen 2.900 N/A VAL 85.A N GLY 106.A O no hydrogen 2.956 N/A ALA 86.A N LEU 15.A O no hydrogen 2.818 N/A GLY 87.A N VAL 108.A O no hydrogen 2.904 N/A LEU 88.A N LEU 17.A O no hydrogen 2.892 N/A SER 89.A N MET 110.A O no hydrogen 2.830 N/A SER 89.A OG HIS 218.A NE2 no hydrogen 2.724 N/A GLY 91.A N LEU 88.A O no hydrogen 2.794 N/A GLY 92.A N SER 89.A O no hydrogen 2.826 N/A VAL 93.A N SER 89.A O no hydrogen 3.348 N/A PHE 94.A N LEU 90.A O no hydrogen 3.027 N/A SER 95.A N GLY 91.A O no hydrogen 2.854 N/A SER 95.A OG GLY 91.A O no hydrogen 2.722 N/A LEU 96.A N GLY 92.A O no hydrogen 3.062 N/A LYS 97.A N VAL 93.A O no hydrogen 3.023 N/A LEU 98.A N PHE 94.A O no hydrogen 2.889 N/A GLY 99.A N SER 95.A O no hydrogen 2.964 N/A TYR 100.A N LYS 97.A O no hydrogen 3.063 N/A THR 101.A N LEU 98.A O no hydrogen 3.019 N/A THR 101.A OG1 LYS 97.A O no hydrogen 2.701 N/A VAL 102.A N LEU 98.A O no hydrogen 3.078 N/A GLU 105.A N ILE 83.A O no hydrogen 2.885 N/A ILE 107.A N PRO 179.A O no hydrogen 2.813 N/A VAL 108.A N VAL 85.A O no hydrogen 2.863 N/A THR 109.A N PHE 181.A O no hydrogen 2.990 N/A MET 110.A N GLY 87.A O no hydrogen 2.780 N/A CYS 111.A N VAL 183.A O no hydrogen 2.903 N/A CYS 111.A SG HIS 218.A O no hydrogen 3.518 N/A MET 114.A N SER 195.A OG no hydrogen 2.980 N/A TYR 115.A OH ASP 194.A OD1 no hydrogen 2.847 N/A SER 118.A OG THR 121.A OG1 no hydrogen 2.455 N/A THR 121.A N SER 118.A OG no hydrogen 2.946 N/A THR 121.A OG1 SER 118.A OG no hydrogen 2.455 N/A MET 122.A N SER 118.A O no hydrogen 3.131 N/A TYR 123.A N GLU 119.A O no hydrogen 2.839 N/A GLU 124.A N GLU 120.A O no hydrogen 2.728 N/A GLY 125.A N THR 121.A O no hydrogen 3.224 N/A GLY 125.A N MET 122.A O no hydrogen 3.048 N/A VAL 126.A N MET 122.A O no hydrogen 3.197 N/A LEU 127.A N TYR 123.A O no hydrogen 2.917 N/A GLU 128.A N GLU 124.A O no hydrogen 3.106 N/A TYR 129.A N GLY 125.A O no hydrogen 3.031 N/A ALA 130.A N VAL 126.A O no hydrogen 2.938 N/A ARG 131.A N LEU 127.A O no hydrogen 2.996 N/A ARG 131.A NH1 GLU 145.A OE2 no hydrogen 3.351 N/A GLU 132.A N GLU 128.A O no hydrogen 3.105 N/A TYR 133.A N TYR 129.A O no hydrogen 2.933 N/A LYS 134.A N ALA 130.A O no hydrogen 3.101 N/A LYS 134.A NZ GLU 54.A OE1 no hydrogen 2.653 N/A LYS 134.A NZ GLU 54.A OE2 no hydrogen 3.397 N/A LYS 134.A NZ GLU 147.A OE1 no hydrogen 2.939 N/A LYS 135.A N ARG 131.A O no hydrogen 2.856 N/A ARG 136.A N GLU 132.A O no hydrogen 3.011 N/A GLU 137.A N TYR 133.A O no hydrogen 2.958 N/A GLY 138.A N LYS 135.A O no hydrogen 2.980 N/A LYS 139.A N LYS 134.A O no hydrogen 3.206 N/A LYS 139.A NZ GLU 137.A OE1 no hydrogen 3.183 N/A LYS 139.A NZ GLU 137.A OE2 no hydrogen 3.057 N/A GLN 143.A N SER 140.A OG no hydrogen 2.690 N/A GLN 143.A NE2 GLU 147.A OE2 no hydrogen 2.497 N/A ILE 144.A N SER 140.A O no hydrogen 2.877 N/A GLU 145.A N GLU 141.A O no hydrogen 3.025 N/A GLN 146.A N GLU 142.A O no hydrogen 3.141 N/A GLU 147.A N GLN 143.A O no hydrogen 2.965 N/A MET 148.A N ILE 144.A O no hydrogen 2.986 N/A GLU 149.A N GLU 145.A O no hydrogen 3.113 N/A LYS 150.A N GLN 146.A O no hydrogen 3.378 N/A PHE 151.A N GLU 147.A O no hydrogen 2.970 N/A LYS 152.A N MET 148.A O no hydrogen 3.213 N/A GLN 153.A N LYS 150.A O no hydrogen 2.723 N/A THR 158.A OG1 THR 59.A O no hydrogen 2.827 N/A LEU 159.A N MET 156.A O no hydrogen 3.446 N/A LYS 160.A NZ.B LYS 157.A O no hydrogen 2.909 N/A LEU 162.A N THR 158.A O no hydrogen 3.007 N/A GLN 163.A N LEU 159.A O no hydrogen 2.967 N/A GLN 163.A NE2 LYS 117.A O no hydrogen 2.863 N/A GLU 164.A N LYS 160.A O no hydrogen 2.923 N/A LEU 165.A N ALA 161.A O no hydrogen 2.963 N/A ILE 166.A N LEU 162.A O no hydrogen 3.264 N/A ALA 167.A N GLN 163.A O no hydrogen 3.178 N/A ASP 168.A N GLU 164.A O no hydrogen 2.820 N/A VAL 169.A N LEU 165.A O no hydrogen 2.876 N/A ARG 170.A N ILE 166.A O no hydrogen 3.020 N/A ARG 170.A NH1 MET 114.A O no hydrogen 2.976 N/A ASP 171.A N ALA 167.A O no hydrogen 3.067 N/A HIS 172.A N VAL 169.A O no hydrogen 2.945 N/A LEU 173.A N ARG 170.A O no hydrogen 3.347 N/A LEU 175.A N HIS 172.A O no hydrogen 2.913 N/A ILE 176.A N LEU 173.A O no hydrogen 3.080 N/A THR 180.A N VAL 207.A O no hydrogen 3.101 N/A THR 180.A OG1 ALA 178.A O no hydrogen 2.875 N/A PHE 181.A N ILE 107.A O no hydrogen 2.774 N/A VAL 182.A N GLN 209.A O no hydrogen 2.897 N/A VAL 183.A N THR 109.A O no hydrogen 2.777 N/A GLN 184.A N LYS 211.A O no hydrogen 3.055 N/A GLN 184.A NE2 ALA 185.A O no hydrogen 3.065 N/A GLN 184.A NE2 ASP 188.A OD1 no hydrogen 2.969 N/A ARG 186.A N TYR 213.A O no hydrogen 2.976 N/A ARG 186.A NE GLU 214.A OE1 no hydrogen 2.823 N/A ARG 186.A NH2 GLU 214.A OE2 no hydrogen 2.776 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.786 N/A MET 190.A N ASP 188.A OD2 no hydrogen 2.808 N/A ILE 191.A N ASP 188.A OD2 no hydrogen 2.953 N/A SER 195.A N ASN 192.A O no hydrogen 3.035 N/A SER 195.A OG ASN 192.A O no hydrogen 2.711 N/A ALA 196.A N PRO 193.A O no hydrogen 3.095 N/A ASN 197.A N ASP 194.A O no hydrogen 2.903 N/A ASN 197.A ND2 ASP 194.A OD2 no hydrogen 3.023 N/A ILE 198.A N ASP 194.A O no hydrogen 3.209 N/A ILE 199.A N SER 195.A O no hydrogen 3.013 N/A TYR 200.A N ALA 196.A O no hydrogen 2.954 N/A ASN 201.A N ASN 197.A O no hydrogen 2.900 N/A GLU 202.A N ILE 198.A O no hydrogen 2.938 N/A ILE 203.A N ILE 199.A O no hydrogen 3.221 N/A GLU 204.A N ILE 176.A O no hydrogen 2.813 N/A SER 205.A OG ILE 176.A O no hydrogen 3.515 N/A SER 205.A OG ALA 178.A O no hydrogen 2.661 N/A LYS 208.A NZ.A TYR 200.A O no hydrogen 2.778 N/A LYS 208.A NZ.B TYR 200.A O no hydrogen 2.689 N/A LYS 208.A NZ.B ILE 203.A O no hydrogen 2.957 N/A GLN 209.A N THR 180.A O no hydrogen 2.946 N/A LYS 211.A N VAL 182.A O no hydrogen 2.876 N/A LYS 211.A NZ ASP 232.A OD1 no hydrogen 3.511 N/A LYS 211.A NZ ASP 232.A OD2 no hydrogen 2.696 N/A TYR 213.A N GLN 184.A O no hydrogen 2.943 N/A TYR 213.A OH ASP 232.A OD2 no hydrogen 2.579 N/A GLN 215.A N GLU 225.A OE1 no hydrogen 2.802 N/A SER 216.A OG GLU 225.A OE1 no hydrogen 2.691 N/A GLY 217.A N ASP 223.A OD2 no hydrogen 2.738 N/A HIS 218.A N GLU 189.A OE1 no hydrogen 2.979 N/A HIS 218.A ND1 ASP 188.A OD1 no hydrogen 2.725 N/A HIS 218.A NE2 SER 89.A OG no hydrogen 2.724 N/A THR 221.A OG1 ASP 26.A O no hydrogen 2.815 N/A LEU 222.A N VAL 219.A O no hydrogen 3.162 N/A ASP 223.A N ILE 220.A O no hydrogen 3.299 N/A GLN 224.A N ASP 223.A OD1 no hydrogen 2.751 N/A GLN 224.A NE2 GLN 215.A O no hydrogen 2.868 N/A LYS 226.A N ASP 223.A O no hydrogen 3.152 N/A GLN 228.A NE2 ASP 232.A OD1 no hydrogen 2.748 N/A LEU 229.A N GLU 225.A O no hydrogen 3.068 N/A HIS 230.A N LYS 226.A O no hydrogen 2.871 N/A GLU 231.A N ASP 227.A O no hydrogen 3.188 N/A ASP 232.A N GLN 228.A O no hydrogen 2.834 N/A ILE 233.A N LEU 229.A O no hydrogen 2.902 N/A TYR 234.A N HIS 230.A O no hydrogen 2.966 N/A ALA 235.A N GLU 231.A O no hydrogen 2.931 N/A PHE 236.A N ASP 232.A O no hydrogen 2.950 N/A LEU 237.A N ILE 233.A O no hydrogen 2.832 N/A GLU 238.A N TYR 234.A O no hydrogen 2.866 N/A SER 239.A N ALA 235.A O no hydrogen 3.245 N/A SER 239.A N PHE 236.A O no hydrogen 3.033 N/A SER 239.A OG PHE 236.A O no hydrogen 2.590 N/A LEU 240.A N LEU 237.A O no hydrogen 3.228 N/A TRP 242.A N GLU 105.A OE1 no hydrogen 2.828 N/A TRP 242.A NE1 LEU 237.A O no hydrogen 2.793 N/A