Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3juu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A N GLU 102.A OE1 no hydrogen 2.968 N/A LYS 6.A N GLY 211.A O no hydrogen 2.806 N/A LYS 6.A NZ ASP 210.A O no hydrogen 3.007 N/A GLU 9.A N LYS 6.A O no hydrogen 3.170 N/A ARG 12.A N ASP 10.A OD2 no hydrogen 3.075 N/A ARG 12.A NE GLN 16.A O no hydrogen 2.941 N/A ARG 12.A NH1 ASP 10.A OD1 no hydrogen 2.886 N/A GLN 13.A N GLN 16.A OE1 no hydrogen 2.869 N/A GLN 16.A N GLN 13.A O no hydrogen 2.905 N/A GLU 17.A N VAL 267.A O no hydrogen 2.828 N/A TRP 18.A NE1 ASP 10.A OD2 no hydrogen 2.907 N/A LYS 19.A N GLN 265.A O no hydrogen 2.792 N/A ILE 21.A N SER 263.A O no hydrogen 2.686 N/A MET 24.A N ILE 21.A O no hydrogen 3.130 N/A SER 25.A N GLU 22.A O no hydrogen 3.225 N/A SER 25.A OG ILE 21.A O no hydrogen 2.674 N/A SER 25.A OG SER 263.A O no hydrogen 3.270 N/A ASP 26.A N VAL 261.A O no hydrogen 2.828 N/A PHE 28.A N ASP 26.A OD1 no hydrogen 2.841 N/A LYS 36.A N ASP 34.A OD1 no hydrogen 2.954 N/A LYS 37.A N ASP 34.A O no hydrogen 3.173 N/A LYS 37.A NZ GLU 22.A O no hydrogen 3.288 N/A LYS 37.A NZ SER 25.A O no hydrogen 2.797 N/A TRP 38.A N ASP 34.A O no hydrogen 2.957 N/A TRP 38.A NE1 ASP 26.A OD2 no hydrogen 2.807 N/A GLN 39.A N GLY 91.A O no hydrogen 2.719 N/A GLN 39.A NE2 SER 41.A O no hydrogen 3.532 N/A GLN 43.A N GLN 43.A OE1 no hydrogen 2.804 N/A GLN 43.A NE2 TRP 45.A O no hydrogen 2.978 N/A ARG 48.A NH1 GLU 234.A OE1 no hydrogen 2.807 N/A ARG 48.A NH1 THR 235.A O no hydrogen 2.860 N/A GLY 51.A N ARG 48.A O no hydrogen 2.910 N/A GLY 51.A N THR 235.A OG1 no hydrogen 3.091 N/A LEU 52.A N HIS 85.A O no hydrogen 2.747 N/A PHE 53.A N ILE 46.A O no hydrogen 2.984 N/A LEU 54.A N GLY 87.A O no hydrogen 3.002 N/A GLU 56.A N GLU 56.A OE2 no hydrogen 2.842 N/A ASN 57.A N LEU 54.A O no hydrogen 3.096 N/A ASN 57.A ND2 THR 70.A OG1 no hydrogen 3.199 N/A ASN 57.A ND2 GLY 87.A O no hydrogen 3.234 N/A ILE 58.A N ALA 55.A O no hydrogen 3.102 N/A SER 59.A N GLN 66.A O no hydrogen 2.943 N/A SER 59.A OG GLN 66.A OE1 no hydrogen 2.989 N/A ASN 61.A N SER 64.A O no hydrogen 3.051 N/A SER 64.A N ASN 61.A O no hydrogen 2.972 N/A SER 64.A OG ASN 61.A O no hydrogen 2.783 N/A LEU 65.A N TYR 258.A O no hydrogen 2.751 N/A GLN 66.A N SER 59.A O no hydrogen 2.737 N/A ILE 67.A N THR 256.A O no hydrogen 2.903 N/A THR 68.A N ASN 57.A O no hydrogen 2.918 N/A THR 68.A OG1 THR 255.A OG1 no hydrogen 2.773 N/A THR 69.A N ARG 254.A O no hydrogen 2.764 N/A THR 69.A OG1 ARG 254.A O no hydrogen 3.072 N/A THR 70.A N GLY 86.A O no hydrogen 2.968 N/A LEU 72.A N THR 84.A O no hydrogen 2.969 N/A ILE 76.A N TYR 83.A O no hydrogen 2.979 N/A LYS 78.A N LYS 81.A O no hydrogen 2.999 N/A LYS 81.A N LYS 78.A O no hydrogen 2.993 N/A TYR 83.A N ILE 76.A O no hydrogen 2.826 N/A TYR 83.A OH GLY 47.A O no hydrogen 2.743 N/A THR 84.A N PRO 50.A O no hydrogen 2.879 N/A THR 84.A OG1 HIS 85.A ND1 no hydrogen 2.735 N/A HIS 85.A N PRO 50.A O no hydrogen 3.000 N/A HIS 85.A ND1 THR 84.A OG1 no hydrogen 2.735 N/A HIS 85.A NE2 GLY 245.A O no hydrogen 2.812 N/A GLY 86.A N THR 70.A O no hydrogen 2.813 N/A GLY 87.A N LEU 52.A O no hydrogen 2.789 N/A GLY 88.A N VAL 233.A O no hydrogen 3.092 N/A VAL 90.A N MET 231.A O no hydrogen 2.862 N/A GLY 91.A N GLN 39.A O no hydrogen 2.939 N/A SER 92.A N LEU 229.A O no hydrogen 2.950 N/A SER 92.A OG ASN 94.A O no hydrogen 2.755 N/A ARG 93.A N LYS 37.A O no hydrogen 2.907 N/A ARG 93.A NE GLU 35.A O no hydrogen 2.796 N/A ARG 93.A NE TRP 38.A O no hydrogen 3.278 N/A ARG 93.A NH2 GLU 35.A O no hydrogen 3.382 N/A MET 96.A N MET 227.A O no hydrogen 3.035 N/A GLY 99.A N TRP 199.A O no hydrogen 2.947 N/A TYR 100.A N TRP 264.A O no hydrogen 2.796 N/A TYR 101.A N VAL 197.A O no hydrogen 2.977 N/A TYR 101.A OH TYR 98.A O no hydrogen 2.773 N/A GLU 102.A N ARG 262.A O no hydrogen 2.942 N/A CYS 103.A N TYR 195.A O no hydrogen 2.981 N/A GLU 104.A N TRP 260.A O no hydrogen 3.217 N/A MET 105.A N HIS 193.A O no hydrogen 2.904 N/A LYS 106.A N THR 257.A O no hydrogen 2.871 N/A ALA 107.A N ALA 188.A O no hydrogen 2.974 N/A ASN 108.A N SER 114.A OG no hydrogen 3.035 N/A ASN 108.A N THR 256.A OG1 no hydrogen 3.350 N/A ASN 108.A ND2 SER 113.A O no hydrogen 3.071 N/A ASN 108.A ND2 THR 256.A OG1 no hydrogen 2.759 N/A LYS 109.A N ASP 253.A O no hydrogen 2.774 N/A THR 110.A N ASN 108.A OD1 no hydrogen 2.967 N/A THR 110.A OG1 ASN 108.A OD1 no hydrogen 2.724 N/A MET 112.A N THR 110.A OG1 no hydrogen 2.972 N/A SER 113.A N GLU 234.A O no hydrogen 2.923 N/A SER 113.A OG VAL 232.A O no hydrogen 3.429 N/A SER 113.A OG GLU 234.A OE2 no hydrogen 2.691 N/A SER 114.A N SER 140.A O no hydrogen 2.917 N/A SER 114.A OG THR 256.A OG1 no hydrogen 2.685 N/A THR 115.A OG1 VAL 232.A O no hydrogen 2.735 N/A PHE 116.A N GLN 138.A O no hydrogen 2.902 N/A TRP 117.A N ARG 230.A O no hydrogen 3.036 N/A TRP 117.A NE1 THR 115.A OG1 no hydrogen 3.068 N/A LEU 118.A N LEU 135.A O no hydrogen 2.808 N/A ILE 119.A N TYR 228.A O no hydrogen 3.008 N/A ASN 120.A N THR 133.A O no hydrogen 3.178 N/A ASN 120.A ND2 ARG 131.A O no hydrogen 2.752 N/A ASP 124.A N GLU 121.A O no hydrogen 3.085 N/A ARG 125.A N GLY 122.A O no hydrogen 3.000 N/A ASP 129.A N LEU 126.A O no hydrogen 3.062 N/A LYS 130.A N GLY 127.A O no hydrogen 3.209 N/A LYS 130.A NZ ARG 125.A O no hydrogen 2.832 N/A ARG 131.A N CYS 128.A O no hydrogen 3.115 N/A ARG 131.A NH1 ASP 222.A O no hydrogen 2.898 N/A ARG 131.A NH2 ASP 222.A O no hydrogen 3.107 N/A THR 132.A N ARG 165.A O no hydrogen 2.897 N/A THR 133.A N ASN 120.A OD1 no hydrogen 2.990 N/A GLU 134.A N HIS 163.A O no hydrogen 3.060 N/A LEU 135.A N LEU 118.A O no hydrogen 2.818 N/A ASP 136.A N ASN 161.A O no hydrogen 2.906 N/A ILE 137.A N PHE 116.A O no hydrogen 2.897 N/A GLN 138.A N PHE 116.A O no hydrogen 3.002 N/A GLN 138.A NE2 THR 157.A O no hydrogen 3.006 N/A GLN 138.A NE2 TYR 195.A OH no hydrogen 3.223 N/A GLU 139.A N ASN 159.A O no hydrogen 3.084 N/A SER 140.A N SER 114.A O no hydrogen 3.021 N/A SER 140.A OG VAL 141.A O no hydrogen 3.236 N/A GLY 142.A N THR 110.A O no hydrogen 2.835 N/A THR 145.A OG1 PRO 240.A O no hydrogen 2.658 N/A ASN 146.A ND2 TRP 238.A O no hydrogen 2.704 N/A ALA 148.A N ASN 146.A OD1 no hydrogen 3.031 N/A MET 151.A N ALA 148.A O no hydrogen 3.315 N/A LYS 152.A N ASP 149.A O no hydrogen 3.325 N/A LYS 152.A NZ ASP 149.A OD2 no hydrogen 3.134 N/A PHE 154.A N MET 151.A O no hydrogen 2.936 N/A GLN 156.A N TYR 153.A O no hydrogen 2.987 N/A THR 157.A OG1 TYR 153.A O no hydrogen 3.108 N/A THR 157.A OG1 ASN 159.A OD1 no hydrogen 2.961 N/A MET 158.A N ALA 182.A O no hydrogen 2.748 N/A ASN 159.A N GLN 138.A OE1 no hydrogen 2.791 N/A ASN 159.A ND2 GLU 139.A O no hydrogen 2.933 N/A ASN 159.A ND2 PHE 154.A O no hydrogen 3.131 N/A SER 160.A N GLY 180.A O no hydrogen 2.892 N/A SER 160.A OG ILE 137.A O no hydrogen 2.759 N/A ASN 161.A N ASP 136.A O no hydrogen 2.918 N/A THR 162.A N ASN 161.A OD1 no hydrogen 2.773 N/A THR 162.A OG1 SER 178.A O no hydrogen 2.901 N/A HIS 163.A N GLU 134.A O no hydrogen 2.840 N/A HIS 163.A ND1 SER 177.A OG no hydrogen 2.778 N/A SER 164.A N GLY 176.A O no hydrogen 2.876 N/A SER 164.A OG GLU 174.A O no hydrogen 2.564 N/A ARG 165.A N THR 132.A O no hydrogen 3.224 N/A ARG 165.A NH1 GLU 134.A OE1 no hydrogen 2.899 N/A ARG 165.A NH2 GLU 134.A OE1 no hydrogen 2.786 N/A ASN 166.A ND2 THR 132.A OG1 no hydrogen 2.804 N/A CYS 171.A N PRO 168.A O no hydrogen 3.032 N/A TYR 173.A N CYS 171.A O no hydrogen 2.955 N/A GLY 176.A N SER 164.A O no hydrogen 2.932 N/A SER 177.A OG HIS 163.A ND1 no hydrogen 2.778 N/A SER 178.A N THR 162.A O no hydrogen 2.875 N/A SER 178.A OG THR 218.A O no hydrogen 3.487 N/A GLY 180.A N SER 160.A O no hydrogen 2.906 N/A ALA 182.A N MET 158.A O no hydrogen 3.017 N/A LEU 184.A N GLN 156.A O no hydrogen 3.057 N/A LYS 187.A N GLU 190.A OE1 no hydrogen 2.902 N/A LYS 187.A NZ ASP 155.A OD1 no hydrogen 3.314 N/A LYS 187.A NZ ASP 155.A OD2 no hydrogen 2.871 N/A LYS 187.A NZ GLN 156.A OE1 no hydrogen 2.765 N/A ALA 188.A N ASP 155.A O no hydrogen 2.854 N/A GLU 190.A N LYS 187.A O no hydrogen 2.966 N/A HIS 193.A N MET 105.A O no hydrogen 3.001 N/A HIS 193.A ND1 ASP 210.A OD2 no hydrogen 2.768 N/A VAL 194.A N ASP 210.A OD1 no hydrogen 2.832 N/A TYR 195.A N CYS 103.A O no hydrogen 2.877 N/A GLY 196.A N PHE 208.A O no hydrogen 2.916 N/A VAL 197.A N TYR 101.A O no hydrogen 2.924 N/A TRP 198.A N ILE 206.A O no hydrogen 2.676 N/A TRP 199.A N GLY 99.A O no hydrogen 2.798 N/A TRP 199.A NE1 PHE 223.A O no hydrogen 2.980 N/A LYS 200.A N GLU 204.A O no hydrogen 3.139 N/A LYS 200.A NZ GLU 204.A OE1 no hydrogen 2.976 N/A LYS 200.A NZ GLU 204.A OE2 no hydrogen 3.342 N/A SER 201.A N GLU 204.A O no hydrogen 3.411 N/A SER 201.A OG ASP 203.A OD1 no hydrogen 3.144 N/A SER 201.A OG GLU 204.A OE1 no hydrogen 2.826 N/A ASP 203.A N SER 201.A OG no hydrogen 3.264 N/A GLU 204.A N SER 201.A O no hydrogen 3.473 N/A ILE 205.A N VAL 217.A O no hydrogen 3.010 N/A ILE 206.A N TRP 198.A O no hydrogen 2.937 N/A PHE 207.A N SER 215.A O no hydrogen 2.905 N/A PHE 208.A N GLY 196.A O no hydrogen 2.826 N/A LEU 209.A N LYS 212.A O no hydrogen 2.870 N/A ASP 210.A N VAL 194.A O no hydrogen 2.869 N/A LYS 212.A N LEU 209.A O no hydrogen 2.945 N/A MET 213.A N GLU 9.A OE1 no hydrogen 2.846 N/A GLN 214.A N PHE 207.A O no hydrogen 2.801 N/A GLN 214.A NE2 LYS 212.A O no hydrogen 3.047 N/A LYS 216.A NZ GLU 204.A OE2 no hydrogen 2.618 N/A VAL 217.A N ILE 205.A O no hydrogen 2.706 N/A PHE 223.A N LYS 202.A O no hydrogen 2.819 N/A MET 227.A N MET 96.A O no hydrogen 2.839 N/A TYR 228.A N ILE 119.A O no hydrogen 2.863 N/A LEU 229.A N SER 92.A OG no hydrogen 2.758 N/A ARG 230.A N TRP 117.A O no hydrogen 2.779 N/A ARG 230.A NH1 LEU 229.A O no hydrogen 2.900 N/A ARG 230.A NH2 GLU 121.A OE2 no hydrogen 3.074 N/A MET 231.A N VAL 90.A O no hydrogen 2.807 N/A VAL 232.A N THR 115.A OG1 no hydrogen 3.177 N/A VAL 233.A N GLY 88.A O no hydrogen 2.850 N/A GLU 234.A N SER 113.A OG no hydrogen 2.886 N/A TYR 236.A OH GLU 139.A OE1 no hydrogen 2.694 N/A ASN 239.A N TYR 236.A O no hydrogen 3.078 N/A GLY 245.A N PRO 242.A O no hydrogen 2.892 N/A GLY 246.A N ASP 244.A OD1 no hydrogen 2.820 N/A ASP 253.A N SER 250.A OG no hydrogen 3.022 N/A ARG 254.A N SER 250.A O no hydrogen 2.849 N/A ARG 254.A NE GLY 249.A O no hydrogen 3.072 N/A ARG 254.A NH1 THR 69.A O no hydrogen 2.923 N/A THR 255.A N GLU 252.A O no hydrogen 3.108 N/A THR 255.A OG1 THR 68.A OG1 no hydrogen 2.773 N/A THR 255.A OG1 LYS 251.A O no hydrogen 2.648 N/A THR 256.A N ILE 67.A O no hydrogen 2.784 N/A THR 256.A OG1 SER 114.A OG no hydrogen 2.685 N/A THR 257.A N LYS 106.A O no hydrogen 3.000 N/A TYR 258.A N LEU 65.A O no hydrogen 2.842 N/A TYR 258.A OH THR 115.A O no hydrogen 2.701 N/A ASN 259.A N GLU 104.A O no hydrogen 2.817 N/A ASN 259.A ND2 GLU 104.A OE1 no hydrogen 2.913 N/A VAL 261.A N ASP 26.A O no hydrogen 2.954 N/A ARG 262.A N GLU 102.A O no hydrogen 2.903 N/A ARG 262.A NE GLU 27.A OE2 no hydrogen 2.681 N/A ARG 262.A NH1 HIS 4.A NE2.A no hydrogen 3.543 N/A ARG 262.A NH2 GLU 27.A OE1 no hydrogen 2.950 N/A ARG 262.A NH2 GLU 27.A OE2 no hydrogen 3.332 N/A SER 263.A N SER 25.A OG no hydrogen 2.843 N/A SER 263.A OG MET 24.A O no hydrogen 2.690 N/A TRP 264.A N TYR 100.A O no hydrogen 2.826 N/A TRP 264.A NE1 GLU 102.A OE2 no hydrogen 2.890 N/A GLN 265.A N LYS 19.A O no hydrogen 2.931 N/A VAL 267.A N GLU 17.A O no hydrogen 2.944 N/A