Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wje_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NE ASP 227.A OD1 no hydrogen 3.108 N/A ARG 1.A NE ASP 227.A OD2 no hydrogen 3.009 N/A ARG 1.A NH1 ASN 202.A O no hydrogen 2.909 N/A ARG 1.A NH2 ASP 227.A OD1 no hydrogen 3.016 N/A PHE 4.A N ASP 227.A O no hydrogen 2.910 N/A VAL 5.A N GLU 36.A O no hydrogen 2.878 N/A GLY 6.A N PHE 229.A O no hydrogen 2.865 N/A GLY 7.A N VAL 38.A O no hydrogen 2.825 N/A ASN 8.A N VAL 231.A O no hydrogen 2.841 N/A TRP 9.A N ALA 40.A O no hydrogen 2.953 N/A LYS 10.A N ASN 8.A OD1 no hydrogen 2.955 N/A LYS 10.A NZ GLU 95.A OE2 no hydrogen 2.764 N/A ASN 12.A ND2 TRP 9.A O no hydrogen 2.914 N/A THR 15.A OG1 GLU 18.A OE1 no hydrogen 2.710 N/A GLU 18.A N THR 15.A OG1 no hydrogen 3.152 N/A ALA 19.A N THR 15.A O no hydrogen 3.033 N/A GLU 20.A N VAL 16.A O no hydrogen 2.890 N/A LYS 21.A N GLN 17.A O no hydrogen 3.113 N/A LEU 22.A N GLU 18.A O no hydrogen 2.930 N/A VAL 23.A N ALA 19.A O no hydrogen 2.964 N/A GLU 24.A N GLU 20.A O no hydrogen 2.991 N/A MET 25.A N.A LYS 21.A O no hydrogen 3.066 N/A MET 25.A N.B LYS 21.A O no hydrogen 3.079 N/A LEU 26.A N LEU 22.A O no hydrogen 2.975 N/A ASN 27.A N VAL 23.A O no hydrogen 2.855 N/A ASN 27.A ND2 LYS 52.A O no hydrogen 2.873 N/A GLY 28.A N MET 25.A O.A no hydrogen 3.275 N/A GLY 28.A N MET 25.A O.B no hydrogen 3.280 N/A ALA 29.A N LEU 26.A O no hydrogen 3.128 N/A GLU 32.A N ASN 245.A OD1 no hydrogen 2.787 N/A ASN 34.A N.A ASN 247.A OD1 no hydrogen 3.059 N/A ASN 34.A N.B ASN 247.A OD1 no hydrogen 3.089 N/A GLU 36.A N PHE 3.A O no hydrogen 2.861 N/A VAL 38.A N VAL 5.A O no hydrogen 3.003 N/A VAL 39.A N LYS 58.A O no hydrogen 2.829 N/A ALA 40.A N GLY 7.A O no hydrogen 2.775 N/A ALA 41.A N SER 60.A O no hydrogen 3.272 N/A PHE 45.A N PRO 42.A O no hydrogen 2.865 N/A LEU 46.A N PHE 43.A O no hydrogen 3.136 N/A THR 48.A OG1 GLU 20.A OE2 no hydrogen 3.064 N/A LEU 49.A N PHE 45.A O no hydrogen 3.074 N/A GLN 50.A N LEU 46.A O no hydrogen 2.856 N/A GLN 51.A N PRO 47.A O no hydrogen 2.983 N/A LYS 52.A N THR 48.A O no hydrogen 2.898 N/A LEU 53.A N LEU 49.A O no hydrogen 2.840 N/A ARG 54.A N ASN 27.A OD1 no hydrogen 2.786 N/A ARG 54.A NE ASP 56.A OD1 no hydrogen 2.865 N/A ARG 54.A NH1 LEU 26.A O no hydrogen 3.001 N/A ARG 54.A NH1 ALA 29.A O no hydrogen 2.837 N/A ARG 54.A NH2 ASP 56.A OD2 no hydrogen 2.903 N/A TRP 57.A N ARG 54.A O no hydrogen 3.175 N/A LYS 58.A N VAL 37.A O no hydrogen 3.089 N/A SER 60.A N VAL 39.A O no hydrogen 2.813 N/A SER 60.A OG ALA 61.A O no hydrogen 2.833 N/A ALA 61.A N TRP 88.A O no hydrogen 2.915 N/A PHE 65.A N VAL 76.A O no hydrogen 3.037 N/A PHE 72.A N GLY 70.A O no hydrogen 2.869 N/A GLU 75.A N PHE 72.A O no hydrogen 2.996 N/A THR 77.A OG1 PRO 68.A O no hydrogen 2.708 N/A ILE 81.A N THR 77.A O no hydrogen 3.257 N/A LYS 82.A N VAL 78.A O no hydrogen 2.905 N/A SER 83.A N PRO 79.A O no hydrogen 2.978 N/A SER 83.A N MET 80.A O no hydrogen 3.300 N/A SER 83.A OG MET 80.A O no hydrogen 2.737 N/A PHE 84.A N ILE 81.A O no hydrogen 3.115 N/A GLY 85.A N LYS 82.A O no hydrogen 2.847 N/A ILE 86.A N ILE 81.A O no hydrogen 3.427 N/A THR 89.A N LYS 120.A O no hydrogen 3.031 N/A THR 89.A OG1 ILE 90.A O no hydrogen 2.944 N/A ILE 90.A N ALA 61.A O no hydrogen 2.963 N/A LEU 91.A N ILE 122.A O no hydrogen 2.860 N/A SER 94.A N GLU 165.A OE2 no hydrogen 2.758 N/A SER 94.A OG GLU 165.A OE1 no hydrogen 2.714 N/A GLU 95.A N HIS 93.A ND1 no hydrogen 3.014 N/A ARG 96.A NE GLU 102.A OE2 no hydrogen 2.768 N/A ARG 96.A NH2 GLU 102.A OE2 no hydrogen 3.168 N/A ARG 97.A N HIS 93.A O no hydrogen 2.951 N/A ARG 97.A NE GLY 92.A O no hydrogen 2.911 N/A ARG 97.A NH1 ASP 104.A OD1 no hydrogen 2.848 N/A ARG 97.A NH2 CYS 124.A O no hydrogen 2.912 N/A ASP 98.A N SER 94.A O no hydrogen 2.796 N/A ILE 99.A N GLU 95.A O no hydrogen 2.919 N/A LEU 100.A N GLU 95.A O no hydrogen 3.333 N/A GLU 102.A N ARG 96.A O no hydrogen 2.974 N/A PHE 106.A N ASP 103.A OD1 no hydrogen 2.950 N/A LEU 107.A N ASP 103.A O no hydrogen 3.022 N/A ALA 108.A N ASP 104.A O no hydrogen 2.828 N/A ALA 109.A N GLU 105.A O no hydrogen 3.072 N/A LYS 110.A N PHE 106.A O no hydrogen 3.014 N/A LYS 110.A NZ ASN 63.A OD1 no hydrogen 2.880 N/A LYS 110.A NZ VAL 64.A O no hydrogen 3.127 N/A LYS 110.A NZ GLU 102.A OE1 no hydrogen 3.008 N/A LYS 110.A NZ GLU 102.A OE2 no hydrogen 3.029 N/A ALA 111.A N LEU 107.A O no hydrogen 2.890 N/A LYS 112.A N ALA 108.A O no hydrogen 3.023 N/A LYS 112.A NZ GLU 116.A OE1 no hydrogen 2.869 N/A PHE 113.A N ALA 109.A O no hydrogen 3.005 N/A ALA 114.A N LYS 110.A O no hydrogen 2.836 N/A LEU 115.A N ALA 111.A O no hydrogen 2.977 N/A GLU 116.A N LYS 112.A O no hydrogen 2.913 N/A ASN 117.A N PHE 113.A O no hydrogen 3.158 N/A ASN 117.A N ALA 114.A O no hydrogen 3.166 N/A ASN 117.A ND2 PHE 113.A O no hydrogen 2.883 N/A GLY 118.A N LEU 115.A O no hydrogen 3.000 N/A MET 119.A N ALA 114.A O no hydrogen 2.930 N/A LYS 120.A N GLU 87.A O no hydrogen 2.770 N/A ILE 121.A N ASP 159.A O no hydrogen 2.969 N/A ILE 122.A N THR 89.A O no hydrogen 2.940 N/A TYR 123.A N VAL 161.A O no hydrogen 2.829 N/A CYS 124.A N LEU 91.A O no hydrogen 2.917 N/A CYS 124.A SG LEU 91.A O no hydrogen 3.768 N/A CYS 125.A N ALA 163.A O no hydrogen 2.899 N/A CYS 125.A SG ALA 163.A O no hydrogen 3.753 N/A GLY 126.A N GLN 144.A OE1 no hydrogen 2.860 N/A GLU 127.A N GLU 127.A OE1 no hydrogen 2.770 N/A HIS 128.A NE2 ASP 98.A OD1 no hydrogen 3.155 N/A HIS 128.A NE2 ASP 98.A OD2 no hydrogen 2.839 N/A ARG 132.A N HIS 128.A O no hydrogen 3.028 N/A ARG 132.A NE GLU 127.A OE2 no hydrogen 2.772 N/A ARG 132.A NH2 GLU 127.A OE2 no hydrogen 2.778 N/A ARG 132.A NH2 TYR 164.A OH no hydrogen 3.497 N/A GLU 133.A N.A LEU 129.A O no hydrogen 2.853 N/A GLU 133.A N.B LEU 129.A O no hydrogen 2.839 N/A ALA 134.A N SER 130.A O no hydrogen 2.910 N/A GLY 135.A N ARG 132.A O no hydrogen 3.077 N/A LYS 136.A N GLU 131.A O no hydrogen 2.849 N/A SER 138.A OG.A GLU 139.A OE1 no hydrogen 3.248 N/A GLU 139.A N GLU 139.A OE1 no hydrogen 2.762 N/A PHE 140.A N LYS 136.A O no hydrogen 3.034 N/A VAL 141.A N ALA 137.A O no hydrogen 2.989 N/A SER 142.A N SER 138.A O.A no hydrogen 2.863 N/A SER 142.A N SER 138.A O.B no hydrogen 2.832 N/A SER 142.A OG GLU 146.A OE1 no hydrogen 2.618 N/A ALA 143.A N GLU 139.A O no hydrogen 3.047 N/A GLN 144.A N PHE 140.A O no hydrogen 3.156 N/A ILE 145.A N VAL 141.A O no hydrogen 2.921 N/A GLU 146.A N SER 142.A O no hydrogen 2.789 N/A LYS 147.A N ALA 143.A O no hydrogen 3.164 N/A LYS 147.A N GLN 144.A O no hydrogen 3.241 N/A MET 148.A N GLN 144.A O no hydrogen 3.201 N/A ILE 149.A N ILE 145.A O no hydrogen 2.875 N/A ALA 151.A N MET 148.A O no hydrogen 2.893 N/A ILE 152.A N ILE 149.A O no hydrogen 3.108 N/A LYS 156.A N PRO 153.A O no hydrogen 3.072 N/A LYS 156.A NZ LEU 115.A O no hydrogen 3.074 N/A ASP 159.A N LYS 156.A O no hydrogen 2.922 N/A VAL 160.A N TRP 157.A O no hydrogen 3.276 N/A VAL 161.A N ILE 121.A O no hydrogen 2.899 N/A ILE 162.A N ARG 205.A O no hydrogen 3.037 N/A ALA 163.A N TYR 123.A O no hydrogen 2.895 N/A TYR 164.A N LEU 207.A O no hydrogen 2.877 N/A TYR 164.A OH GLU 127.A OE1 no hydrogen 2.613 N/A TYR 164.A OH GLU 127.A OE2 no hydrogen 3.239 N/A GLU 165.A N CYS 125.A O no hydrogen 2.747 N/A TRP 168.A N GLU 127.A O no hydrogen 3.142 N/A TRP 168.A NE1 TYR 164.A OH no hydrogen 3.001 N/A ALA 169.A N PRO 166.A O no hydrogen 2.823 N/A ILE 170.A N ILE 167.A O no hydrogen 2.978 N/A THR 172.A OG1 TRP 168.A O no hydrogen 2.641 N/A LYS 174.A N THR 172.A OG1 no hydrogen 3.210 N/A SER 177.A N ASP 180.A OD2 no hydrogen 2.872 N/A ASP 180.A N SER 177.A OG no hydrogen 2.951 N/A ALA 181.A N SER 177.A O no hydrogen 3.176 N/A GLN 182.A N THR 178.A O no hydrogen 3.106 N/A GLN 182.A NE2 ASP 225.A OD2 no hydrogen 2.829 N/A GLU 183.A N GLN 179.A O no hydrogen 2.863 N/A MET 184.A N ASP 180.A O no hydrogen 3.045 N/A CYS 185.A N ALA 181.A O no hydrogen 3.008 N/A CYS 185.A SG ALA 181.A O no hydrogen 3.413 N/A LYS 186.A N GLN 182.A O no hydrogen 2.951 N/A LYS 186.A NZ ASP 190.A OD1 no hydrogen 2.776 N/A VAL 187.A N GLU 183.A O no hydrogen 2.915 N/A ILE 188.A N MET 184.A O no hydrogen 3.082 N/A ARG 189.A N CYS 185.A O no hydrogen 3.007 N/A ARG 189.A NE ASP 225.A OD1 no hydrogen 2.842 N/A ARG 189.A NH1 ALA 201.A O no hydrogen 2.929 N/A ARG 189.A NH1 VAL 204.A O no hydrogen 2.931 N/A ARG 189.A NH2 ASP 225.A O no hydrogen 2.989 N/A ARG 189.A NH2 ASP 227.A OD2 no hydrogen 2.719 N/A ASP 190.A N LYS 186.A O no hydrogen 2.892 N/A ILE 191.A N VAL 187.A O no hydrogen 2.938 N/A LEU 192.A N ILE 188.A O no hydrogen 2.963 N/A ALA 193.A N ARG 189.A O no hydrogen 2.873 N/A ALA 194.A N ASP 190.A O no hydrogen 2.991 N/A LYS 195.A N ILE 191.A O no hydrogen 2.972 N/A LYS 195.A N LEU 192.A O no hydrogen 3.256 N/A VAL 196.A N LEU 192.A O no hydrogen 2.805 N/A GLY 197.A N LEU 192.A O no hydrogen 3.131 N/A GLY 197.A N ALA 193.A O no hydrogen 3.143 N/A ALA 201.A N GLY 197.A O no hydrogen 3.026 N/A ASN 202.A N ALA 198.A O no hydrogen 2.809 N/A LYS 203.A N ILE 200.A O no hydrogen 3.018 N/A VAL 204.A N ILE 200.A O no hydrogen 3.043 N/A ARG 205.A NH1 THR 2.A O no hydrogen 2.892 N/A ARG 205.A NH1 GLU 36.A OE1 no hydrogen 2.894 N/A ARG 205.A NH2 GLU 36.A OE1 no hydrogen 2.895 N/A ILE 206.A N ASP 227.A OD2 no hydrogen 2.921 N/A LEU 207.A N ILE 162.A O no hydrogen 2.744 N/A TYR 208.A N GLY 228.A O no hydrogen 2.926 N/A GLY 209.A N TYR 164.A O no hydrogen 2.707 N/A LYS 213.A N ASN 216.A OD1 no hydrogen 2.814 N/A ASN 216.A N LYS 213.A O no hydrogen 3.146 N/A ASN 216.A ND2 SER 211.A O no hydrogen 3.034 N/A CYS 217.A N LYS 213.A O no hydrogen 3.049 N/A CYS 217.A SG LYS 213.A O no hydrogen 3.517 N/A CYS 217.A SG PRO 214.A O no hydrogen 3.581 N/A CYS 217.A SG ASN 218.A OD1 no hydrogen 3.758 N/A CYS 217.A SG ASN 242.A O no hydrogen 3.802 N/A LEU 220.A N ASN 216.A O no hydrogen 3.148 N/A ALA 221.A N CYS 217.A O no hydrogen 2.823 N/A ALA 222.A N ASN 218.A O no hydrogen 3.142 N/A CYS 223.A N LEU 220.A O no hydrogen 3.054 N/A CYS 223.A SG THR 178.A O no hydrogen 3.990 N/A CYS 223.A SG GLU 219.A O no hydrogen 3.684 N/A ASP 225.A N GLN 182.A OE1 no hydrogen 2.903 N/A VAL 226.A N CYS 223.A O no hydrogen 3.294 N/A ASP 227.A N ILE 206.A O no hydrogen 2.882 N/A PHE 229.A N PHE 4.A O no hydrogen 2.999 N/A LEU 230.A N TYR 208.A O no hydrogen 3.088 N/A VAL 231.A N GLY 6.A O no hydrogen 2.791 N/A SER 235.A N.A GLY 232.A O no hydrogen 2.895 N/A SER 235.A N.B GLY 232.A O no hydrogen 2.875 N/A SER 235.A OG.A GLY 232.A O no hydrogen 2.744 N/A SER 235.A OG.B VAL 231.A O no hydrogen 2.704 N/A SER 235.A OG.B GLY 232.A O no hydrogen 2.644 N/A LEU 236.A N GLY 233.A O no hydrogen 3.066 N/A GLU 237.A N ALA 234.A O no hydrogen 3.181 N/A PHE 240.A N GLU 237.A O no hydrogen 3.035 N/A ILE 241.A N.A ALA 238.A O no hydrogen 3.113 N/A ILE 241.A N.B ALA 238.A O no hydrogen 3.065 N/A ILE 243.A N GLY 239.A O no hydrogen 3.274 N/A VAL 244.A N PHE 240.A O no hydrogen 2.884 N/A ASN 245.A N ILE 241.A O.A no hydrogen 2.889 N/A ASN 245.A N ILE 241.A O.B no hydrogen 2.951 N/A ASN 245.A ND2 LYS 30.A O no hydrogen 3.112 N/A SER 246.A N ILE 243.A O no hydrogen 3.124 N/A SER 246.A OG ILE 243.A O no hydrogen 2.704 N/A ASN 247.A ND2 GLU 32.A O no hydrogen 2.798 N/A ASN 247.A ND2 VAL 244.A O no hydrogen 2.970 N/A VAL 248.A N ASN 245.A O no hydrogen 3.404 N/A HIS 249.A N SER 246.A O no hydrogen 2.947 N/A SER 250.A N ASN 247.A O no hydrogen 3.003 N/A SER 250.A OG ALA 221.A O no hydrogen 3.112 N/A