Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4oqd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH HIS 112.A NE2 no hydrogen 2.715 N/A SER 4.A OG ALA 1.A O no hydrogen 2.464 N/A GLY 5.A N ASP 72.A OD2 no hydrogen 2.850 N/A ALA 8.A N SER 4.A O no hydrogen 3.262 N/A GLU 9.A N GLY 5.A O no hydrogen 3.240 N/A LEU 10.A N GLU 6.A O no hydrogen 2.935 N/A LEU 10.A N ILE 7.A O no hydrogen 3.161 N/A TYR 11.A N ALA 8.A O no hydrogen 3.280 N/A VAL 14.A N LEU 10.A O no hydrogen 3.015 N/A HIS 15.A N TYR 11.A O no hydrogen 3.050 N/A GLN 16.A N ASP 12.A O no hydrogen 2.871 N/A GLY 17.A N LEU 13.A O no hydrogen 2.870 N/A LYS 18.A N VAL 14.A O no hydrogen 3.109 N/A GLY 19.A N GLN 16.A O no hydrogen 2.947 N/A LYS 20.A N HIS 15.A O no hydrogen 3.072 N/A LYS 20.A NZ GLU 25.A OE1 no hydrogen 3.224 N/A LYS 20.A NZ GLU 25.A OE2 no hydrogen 2.761 N/A ARG 24.A N ASP 21.A OD1 no hydrogen 3.060 N/A GLU 25.A N ASP 21.A O no hydrogen 3.022 N/A ALA 26.A N TYR 22.A O no hydrogen 2.968 N/A ALA 27.A N HIS 23.A O no hydrogen 3.018 N/A ASP 28.A N ARG 24.A O no hydrogen 2.984 N/A LEU 29.A N GLU 25.A O no hydrogen 2.853 N/A ALA 30.A N ALA 26.A O no hydrogen 2.912 N/A ALA 31.A N ALA 27.A O no hydrogen 2.993 N/A LEU 32.A N ASP 28.A O no hydrogen 3.042 N/A VAL 33.A N LEU 29.A O no hydrogen 2.937 N/A ARG 34.A N ALA 30.A O no hydrogen 2.959 N/A ARG 34.A NH1 SER 60.A O no hydrogen 2.947 N/A ARG 34.A NH2 ALA 40.A O no hydrogen 3.225 N/A ARG 34.A NH2 SER 60.A O no hydrogen 2.609 N/A ARG 35.A N ALA 31.A O no hydrogen 2.973 N/A HIS 36.A N LEU 32.A O no hydrogen 3.343 N/A SER 37.A N VAL 33.A O no hydrogen 2.815 N/A ALA 40.A N SER 37.A O no hydrogen 3.009 N/A ALA 41.A N SER 101.A OG no hydrogen 2.990 N/A SER 42.A N SER 101.A OG no hydrogen 2.863 N/A SER 42.A OG SER 101.A OG no hydrogen 3.150 N/A LEU 43.A N THR 63.A O no hydrogen 3.005 N/A LEU 44.A N ALA 102.A O no hydrogen 2.857 N/A ASP 45.A N GLU 65.A O no hydrogen 2.984 N/A VAL 46.A N THR 104.A O no hydrogen 2.741 N/A CYS 48.A N LEU 67.A O no hydrogen 3.110 N/A CYS 48.A SG LEU 67.A O no hydrogen 3.841 N/A GLY 49.A N GLU 68.A OE1 no hydrogen 2.826 N/A THR 50.A OG1 ASP 12.A OD1 no hydrogen 2.572 N/A THR 50.A OG1 ASP 12.A OD2 no hydrogen 3.456 N/A GLY 51.A N CYS 48.A O no hydrogen 2.953 N/A HIS 53.A NE2 GLU 25.A OE1 no hydrogen 2.744 N/A ARG 55.A N GLY 51.A O no hydrogen 3.088 N/A LEU 57.A N HIS 53.A O no hydrogen 2.771 N/A ALA 58.A N LEU 54.A O no hydrogen 2.903 N/A ASP 59.A N HIS 56.A O no hydrogen 3.198 N/A SER 60.A N LEU 57.A O no hydrogen 2.873 N/A PHE 61.A N LEU 57.A O no hydrogen 2.949 N/A THR 63.A N ALA 41.A O no hydrogen 3.060 N/A GLU 65.A N LEU 43.A O no hydrogen 2.865 N/A GLY 66.A N VAL 85.A O no hydrogen 3.369 N/A LEU 67.A N ASP 45.A O no hydrogen 2.966 N/A GLU 68.A N HIS 87.A O no hydrogen 2.985 N/A SER 70.A N GLU 68.A OE2 no hydrogen 2.695 N/A SER 70.A OG TYR 3.A O no hydrogen 2.777 N/A MET 73.A N SER 70.A OG no hydrogen 3.285 N/A LEU 74.A N SER 70.A O no hydrogen 2.868 N/A ALA 75.A N ALA 71.A O no hydrogen 2.907 N/A ALA 77.A N MET 73.A O no hydrogen 3.003 N/A ARG 78.A N LEU 74.A O no hydrogen 2.880 N/A ARG 78.A NH1 LEU 86.A O no hydrogen 2.827 N/A ARG 79.A N ALA 75.A O no hydrogen 3.256 N/A ARG 80.A N ILE 76.A O no hydrogen 2.966 N/A ARG 80.A NH1 ASP 12.A OD2 no hydrogen 3.045 N/A ARG 80.A NH2 ASP 12.A OD2 no hydrogen 2.801 N/A ARG 80.A NH2 THR 50.A O no hydrogen 2.902 N/A ASN 81.A N ALA 77.A O no hydrogen 2.790 N/A ASN 81.A ND2 GLY 51.A O no hydrogen 3.086 N/A ASN 81.A ND2 ALA 77.A O no hydrogen 3.011 N/A ALA 84.A N ASN 81.A O no hydrogen 3.010 N/A HIS 87.A N GLY 66.A O no hydrogen 2.758 N/A HIS 87.A NE2 GLU 65.A OE1 no hydrogen 2.834 N/A HIS 88.A NE2 LEU 69.A O no hydrogen 2.936 N/A GLY 89.A N GLU 68.A O no hydrogen 3.034 N/A ARG 92.A N ASP 90.A OD1 no hydrogen 2.946 N/A ARG 92.A NE ASP 90.A OD1 no hydrogen 2.867 N/A ARG 92.A NE ASP 90.A OD2 no hydrogen 3.309 N/A ARG 92.A NH1 GLU 118.A OE2 no hydrogen 3.016 N/A ARG 92.A NH2 ASP 90.A OD2 no hydrogen 2.778 N/A ASP 93.A N ASP 90.A O no hydrogen 3.116 N/A LEU 96.A N HIS 129.A NE2 no hydrogen 2.953 N/A ARG 98.A NE ARG 99.A O no hydrogen 3.109 N/A ARG 98.A NH2 ARG 99.A O no hydrogen 2.946 N/A ARG 99.A NH1 ALA 127.A O no hydrogen 3.024 N/A ARG 99.A NH1 VAL 130.A O no hydrogen 2.866 N/A PHE 100.A N HIS 129.A O no hydrogen 2.803 N/A SER 101.A N SER 42.A OG no hydrogen 3.010 N/A SER 101.A OG SER 42.A O no hydrogen 3.000 N/A SER 101.A OG SER 42.A OG no hydrogen 3.150 N/A ALA 102.A N SER 42.A O no hydrogen 3.203 N/A VAL 103.A N VAL 135.A O no hydrogen 3.064 N/A THR 104.A N LEU 44.A O no hydrogen 2.847 N/A THR 104.A OG1 LEU 44.A O no hydrogen 3.447 N/A THR 104.A OG1 ASP 45.A OD1 no hydrogen 2.721 N/A CYS 105.A N VAL 137.A O no hydrogen 2.873 N/A CYS 105.A SG VAL 46.A O no hydrogen 3.782 N/A PHE 107.A N GLU 139.A OE1 no hydrogen 2.587 N/A SER 108.A OG PRO 140.A O no hydrogen 2.780 N/A SER 109.A N MET 106.A O no hydrogen 3.304 N/A SER 109.A OG MET 106.A O no hydrogen 2.703 N/A GLY 111.A N SER 108.A O no hydrogen 2.967 N/A HIS 112.A N SER 109.A O no hydrogen 2.941 N/A HIS 112.A NE2 TYR 3.A OH no hydrogen 2.715 N/A LEU 113.A N ILE 110.A O no hydrogen 3.078 N/A ALA 114.A N GLU 118.A OE1 no hydrogen 2.852 N/A GLN 116.A NE2 ASP 120.A OD1 no hydrogen 2.827 N/A GLN 116.A NE2 GLN 208.A O no hydrogen 3.145 N/A LEU 119.A N GLY 115.A O no hydrogen 3.069 N/A ASP 120.A N GLN 116.A O no hydrogen 2.871 N/A ALA 121.A N ALA 117.A O no hydrogen 2.912 N/A ALA 122.A N GLU 118.A O no hydrogen 3.007 N/A LEU 123.A N LEU 119.A O no hydrogen 3.003 N/A GLU 124.A N ASP 120.A O no hydrogen 2.943 N/A ARG 125.A N ALA 121.A O no hydrogen 2.981 N/A ARG 125.A NE GLU 124.A OE1 no hydrogen 2.916 N/A ARG 125.A NH1 PHE 94.A O no hydrogen 2.943 N/A ARG 125.A NH2 GLU 124.A OE1 no hydrogen 3.082 N/A ARG 125.A NH2 GLU 124.A OE2 no hydrogen 3.090 N/A PHE 126.A N ALA 122.A O no hydrogen 2.878 N/A ALA 127.A N LEU 123.A O no hydrogen 2.865 N/A ALA 128.A N GLU 124.A O no hydrogen 2.838 N/A HIS 129.A N PHE 126.A O no hydrogen 3.043 N/A HIS 129.A ND1 ARG 125.A O no hydrogen 2.796 N/A VAL 130.A N ALA 127.A O no hydrogen 3.323 N/A LEU 131.A N PHE 100.A O no hydrogen 2.839 N/A GLY 134.A N LEU 131.A O no hydrogen 2.870 N/A VAL 135.A N SER 101.A O no hydrogen 2.996 N/A VAL 136.A N GLY 235.A O no hydrogen 2.844 N/A VAL 137.A N VAL 103.A O no hydrogen 2.774 N/A VAL 138.A N PHE 233.A O no hydrogen 2.863 N/A GLU 139.A N CYS 105.A O no hydrogen 2.941 N/A TRP 141.A N TYR 209.A OH no hydrogen 3.098 N/A TRP 141.A NE1 THR 177.A OG1 no hydrogen 2.963 N/A ASN 146.A N PHE 143.A O no hydrogen 2.906 N/A PHE 147.A N PRO 144.A O no hydrogen 3.170 N/A THR 148.A OG1 THR 148.A O no hydrogen 2.539 N/A GLY 150.A N SER 170.A O no hydrogen 2.745 N/A TYR 151.A N THR 148.A O no hydrogen 3.376 N/A ALA 153.A N SER 168.A O no hydrogen 3.102 N/A GLY 155.A N ARG 166.A O no hydrogen 3.097 N/A THR 156.A OG1 THR 165.A OG1 no hydrogen 2.632 N/A VAL 157.A N VAL 164.A O no hydrogen 2.916 N/A ALA 159.A N THR 162.A O no hydrogen 2.852 N/A GLY 161.A N GLU 158.A OE1 no hydrogen 2.752 N/A THR 162.A N ALA 159.A O no hydrogen 2.944 N/A THR 163.A N ALA 186.A O no hydrogen 2.861 N/A VAL 164.A N VAL 157.A O no hydrogen 2.860 N/A THR 165.A N LEU 184.A O no hydrogen 2.829 N/A THR 165.A OG1 THR 156.A OG1 no hydrogen 2.632 N/A ARG 166.A N GLY 155.A O no hydrogen 2.923 N/A VAL 167.A N HIS 182.A O no hydrogen 2.869 N/A SER 168.A N ALA 153.A O no hydrogen 2.823 N/A HIS 169.A N GLU 180.A O no hydrogen 2.840 N/A SER 170.A N TYR 151.A O no hydrogen 3.159 N/A SER 171.A N ARG 178.A O no hydrogen 2.900 N/A ARG 172.A NE GLY 174.A O no hydrogen 2.888 N/A GLU 173.A N ALA 176.A O no hydrogen 2.886 N/A ALA 176.A N GLU 173.A O no hydrogen 3.166 N/A THR 177.A N ILE 201.A O no hydrogen 2.765 N/A ARG 178.A N SER 171.A O no hydrogen 2.825 N/A ARG 178.A NE GLU 173.A OE1 no hydrogen 2.721 N/A ARG 178.A NE GLU 173.A OE2 no hydrogen 3.454 N/A ARG 178.A NH1 SER 198.A OG no hydrogen 2.766 N/A ARG 178.A NH2 GLU 173.A OE1 no hydrogen 3.460 N/A ARG 178.A NH2 GLU 173.A OE2 no hydrogen 2.922 N/A ILE 179.A N HIS 199.A O no hydrogen 2.877 N/A GLU 180.A N HIS 169.A O no hydrogen 2.895 N/A VAL 181.A N GLU 197.A O no hydrogen 2.864 N/A HIS 182.A N VAL 167.A O no hydrogen 2.808 N/A HIS 182.A ND1 HIS 194.A NE2 no hydrogen 2.898 N/A HIS 182.A NE2 GLU 180.A OE2 no hydrogen 2.802 N/A TYR 183.A N HIS 195.A O no hydrogen 2.859 N/A TYR 183.A OH GLU 197.A OE1 no hydrogen 2.638 N/A LEU 184.A N THR 165.A O no hydrogen 2.899 N/A VAL 185.A N THR 193.A O no hydrogen 2.864 N/A ALA 186.A N THR 163.A O no hydrogen 2.752 N/A GLY 187.A N GLY 191.A O no hydrogen 3.063 N/A ARG 190.A NH2 THR 193.A OG1 no hydrogen 3.069 N/A GLY 191.A N GLY 187.A O no hydrogen 3.065 N/A THR 193.A N VAL 185.A O no hydrogen 2.835 N/A THR 193.A OG1 HIS 195.A NE2 no hydrogen 2.748 N/A HIS 194.A NE2 HIS 182.A ND1 no hydrogen 2.898 N/A HIS 195.A N TYR 183.A O no hydrogen 3.086 N/A HIS 195.A NE2 THR 193.A OG1 no hydrogen 2.748 N/A GLU 197.A N VAL 181.A O no hydrogen 2.892 N/A HIS 199.A N ILE 179.A O no hydrogen 2.964 N/A HIS 199.A NE2 GLU 197.A OE2 no hydrogen 2.777 N/A ARG 200.A NH1 GLU 173.A O no hydrogen 3.268 N/A ARG 200.A NH1 GLU 173.A OE2 no hydrogen 2.915 N/A ILE 201.A N THR 177.A O no hydrogen 2.770 N/A THR 202.A N GLY 111.A O no hydrogen 2.870 N/A THR 202.A OG1 GLY 111.A O no hydrogen 3.488 N/A THR 202.A OG1 LEU 113.A O no hydrogen 2.743 N/A LEU 203.A N GLU 175.A O no hydrogen 2.848 N/A THR 205.A N GLN 208.A OE1 no hydrogen 2.989 N/A ARG 206.A NE GLU 210.A OE2 no hydrogen 3.031 N/A GLN 208.A N THR 205.A OG1 no hydrogen 2.935 N/A GLN 208.A NE2 GLN 116.A OE1 no hydrogen 3.409 N/A TYR 209.A N THR 205.A O no hydrogen 3.159 N/A GLU 210.A N ARG 206.A O no hydrogen 2.977 N/A ARG 211.A N GLU 207.A O no hydrogen 2.900 N/A ALA 212.A N GLN 208.A O no hydrogen 3.079 N/A PHE 213.A N TYR 209.A O no hydrogen 3.022 N/A THR 214.A N GLU 210.A O no hydrogen 2.923 N/A THR 214.A OG1 GLU 210.A O no hydrogen 3.030 N/A ALA 215.A N ARG 211.A O no hydrogen 2.943 N/A ALA 216.A N ALA 212.A O no hydrogen 3.302 N/A ALA 216.A N PHE 213.A O no hydrogen 3.024 N/A GLY 217.A N THR 214.A O no hydrogen 2.997 N/A LEU 218.A N PHE 213.A O no hydrogen 3.041 N/A SER 219.A N LEU 236.A O no hydrogen 2.855 N/A SER 219.A OG LEU 236.A O no hydrogen 3.345 N/A GLU 221.A N THR 234.A O no hydrogen 2.894 N/A MET 223.A N LEU 232.A O no hydrogen 2.765 N/A SER 228.A OG GLU 139.A OE2 no hydrogen 2.687 N/A ARG 230.A NH1 SER 108.A OG no hydrogen 2.868 N/A GLY 231.A N GLY 225.A O no hydrogen 2.836 N/A LEU 232.A N MET 223.A O no hydrogen 2.911 N/A PHE 233.A N VAL 138.A O no hydrogen 2.845 N/A THR 234.A N GLU 221.A O no hydrogen 2.971 N/A GLY 235.A N VAL 136.A O no hydrogen 2.837 N/A LEU 236.A N SER 219.A O no hydrogen 2.986 N/A