Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3le9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N ASP 2.A OD1 no hydrogen 3.156 N/A LYS 5.A N ASP 2.A O no hydrogen 3.018 N/A ASN 6.A N GLN 248.A O no hydrogen 3.043 N/A THR 7.A N GLN 248.A O no hydrogen 2.890 N/A THR 7.A OG1 ASN 6.A OD1 no hydrogen 2.851 N/A CYS 8.A N GLY 59.A O no hydrogen 2.853 N/A LYS 9.A NZ GLU 249.A O no hydrogen 3.199 N/A LEU 10.A N GLN 61.A O no hydrogen 2.800 N/A LEU 11.A N LEU 117.A O no hydrogen 2.902 N/A VAL 12.A N GLN 64.A O no hydrogen 2.804 N/A VAL 13.A N HIS 119.A O no hydrogen 2.863 N/A ALA 14.A N ARG 66.A O no hydrogen 2.884 N/A ASP 15.A N PHE 121.A O no hydrogen 3.204 N/A HIS 16.A N ASN 82.A OD1 no hydrogen 3.022 N/A HIS 16.A ND1 ASN 82.A OD1 no hydrogen 2.821 N/A ARG 17.A NH1 ASP 93.A O no hydrogen 2.896 N/A PHE 18.A N ASP 15.A OD1 no hydrogen 2.986 N/A TYR 19.A N ASP 15.A O no hydrogen 2.901 N/A ARG 20.A N HIS 16.A O no hydrogen 3.017 N/A TYR 21.A N ARG 17.A O no hydrogen 2.925 N/A MET 22.A N PHE 18.A O no hydrogen 2.821 N/A GLY 23.A N PHE 18.A O no hydrogen 3.119 N/A GLY 25.A N TYR 19.A O no hydrogen 3.020 N/A GLU 26.A N GLY 23.A O no hydrogen 2.756 N/A THR 29.A OG1 GLU 26.A OE1 no hydrogen 3.084 N/A THR 30.A N GLU 26.A O no hydrogen 3.130 N/A THR 30.A OG1 GLU 26.A O no hydrogen 2.742 N/A THR 31.A N GLU 27.A O no hydrogen 2.915 N/A THR 31.A OG1 GLU 27.A O no hydrogen 3.070 N/A THR 31.A OG1 SER 28.A O no hydrogen 3.336 N/A ASN 32.A N SER 28.A O no hydrogen 2.930 N/A ASN 32.A ND2.B GLU 36.A OE2 no hydrogen 3.247 N/A TYR 33.A N THR 29.A O no hydrogen 3.224 N/A LEU 34.A N THR 30.A O no hydrogen 3.287 N/A ILE 35.A N THR 31.A O no hydrogen 2.858 N/A GLU 36.A N ASN 32.A O no hydrogen 3.018 N/A LEU 37.A N TYR 33.A O no hydrogen 2.992 N/A ILE 38.A N LEU 34.A O no hydrogen 2.934 N/A ASP 39.A N ILE 35.A O no hydrogen 3.097 N/A ARG 40.A N GLU 36.A O no hydrogen 3.057 N/A ARG 40.A NE ASP 177.A OD1 no hydrogen 3.276 N/A ARG 40.A NE ASP 177.A OD2 no hydrogen 2.675 N/A ARG 40.A NH2 ASP 177.A OD1 no hydrogen 2.864 N/A VAL 41.A N LEU 37.A O no hydrogen 2.960 N/A ASP 42.A N ILE 38.A O no hydrogen 2.765 N/A ASP 43.A N ASP 39.A O no hydrogen 2.997 N/A TYR 45.A N VAL 41.A O no hydrogen 3.212 N/A TYR 45.A OH THR 181.A O no hydrogen 2.961 N/A ARG 46.A N ASP 42.A O no hydrogen 2.751 N/A ARG 46.A NH1 ASP 42.A OD2 no hydrogen 2.912 N/A ARG 46.A NH1 ASP 43.A OD1 no hydrogen 3.157 N/A ARG 46.A NH2 ASP 43.A OD1 no hydrogen 3.069 N/A ASN 47.A N ASP 43.A O no hydrogen 3.304 N/A ASN 47.A ND2 ASP 43.A O no hydrogen 2.783 N/A THR 48.A N TYR 45.A O no hydrogen 2.995 N/A THR 48.A OG1 ILE 44.A O no hydrogen 2.661 N/A TRP 50.A N PHE 55.A O no hydrogen 2.941 N/A ASN 52.A N ALA 49.A O no hydrogen 3.142 N/A ASN 52.A ND2 GLN 229.A OE1 no hydrogen 2.784 N/A ALA 53.A N ASP 51.A OD1 no hydrogen 2.860 N/A PHE 55.A N ASP 51.A OD1 no hydrogen 3.132 N/A GLY 57.A N ARG 46.A O no hydrogen 2.950 N/A GLY 59.A N ASN 6.A O no hydrogen 3.127 N/A ILE 60.A N ASP 42.A OD1 no hydrogen 2.915 N/A GLN 61.A N CYS 8.A O no hydrogen 3.147 N/A GLN 61.A NE2 SER 251.A O no hydrogen 3.039 N/A GLU 63.A N LEU 10.A O no hydrogen 2.819 N/A GLN 64.A N LEU 10.A O no hydrogen 3.371 N/A ARG 66.A N VAL 12.A O no hydrogen 2.749 N/A ARG 66.A NH1 GLU 111.A OE1 no hydrogen 2.972 N/A ARG 66.A NH2 GLU 111.A OE1 no hydrogen 3.074 N/A LEU 68.A N ALA 14.A O no hydrogen 2.936 N/A GLN 72.A N ASN 82.A O no hydrogen 2.822 N/A GLN 72.A NE2 GLU 73.A O no hydrogen 3.094 N/A LYS 75.A N GLU 78.A OE1 no hydrogen 2.801 N/A GLU 78.A N LYS 75.A O no hydrogen 2.966 N/A TYR 81.A N ASP 107.A OD2 no hydrogen 3.052 N/A ASN 82.A N HIS 80.A ND1 no hydrogen 2.967 N/A ASN 82.A ND2 SER 70.A O no hydrogen 2.958 N/A MET 83.A N HIS 80.A O no hydrogen 3.101 N/A SER 86.A OG LYS 92.A O no hydrogen 2.998 N/A GLU 91.A N ASN 89.A OD1 no hydrogen 2.894 N/A LYS 92.A N ASN 89.A O no hydrogen 3.087 N/A LYS 92.A NZ ASP 127.A OD1 no hydrogen 2.938 N/A TRP 95.A N GLN 124.A OE1 no hydrogen 2.832 N/A ASP 96.A N TYR 87.A O no hydrogen 3.035 N/A MET 99.A N ASP 96.A OD2 no hydrogen 3.131 N/A LEU 100.A N ASP 96.A O no hydrogen 3.006 N/A LEU 101.A N VAL 97.A O no hydrogen 3.035 N/A GLU 102.A N LYS 98.A O no hydrogen 3.103 N/A GLN 103.A N MET 99.A O no hydrogen 2.931 N/A GLN 103.A NE2 ASP 107.A OD1 no hydrogen 3.349 N/A GLN 103.A NE2 ASP 107.A OD2 no hydrogen 3.048 N/A PHE 104.A N LEU 100.A O no hydrogen 2.872 N/A SER 105.A N LEU 101.A O no hydrogen 2.987 N/A SER 105.A OG LEU 101.A O no hydrogen 2.773 N/A SER 105.A OG SER 159.A OG no hydrogen 2.849 N/A PHE 106.A N GLU 102.A O no hydrogen 2.935 N/A ASP 107.A N GLN 103.A O no hydrogen 2.879 N/A ILE 108.A N PHE 104.A O no hydrogen 2.938 N/A ALA 109.A N PHE 106.A O no hydrogen 3.470 N/A GLU 111.A N GLU 111.A OE2 no hydrogen 2.891 N/A ALA 112.A N ILE 108.A O no hydrogen 2.801 N/A SER 113.A N ALA 109.A O no hydrogen 3.086 N/A SER 113.A OG GLU 110.A O no hydrogen 2.687 N/A LYS 114.A N GLU 111.A O no hydrogen 3.127 N/A LYS 114.A NZ GLU 110.A OE1 no hydrogen 2.883 N/A VAL 115.A N ALA 112.A O no hydrogen 3.318 N/A LEU 117.A N LYS 9.A O no hydrogen 3.395 N/A ALA 118.A N ASN 158.A O no hydrogen 2.911 N/A HIS 119.A N LEU 11.A O no hydrogen 2.825 N/A HIS 119.A NE2 THR 162.A OG1 no hydrogen 2.766 N/A LEU 120.A N GLY 160.A O no hydrogen 2.914 N/A PHE 121.A N VAL 13.A O no hydrogen 2.749 N/A THR 122.A N THR 162.A O no hydrogen 2.934 N/A THR 122.A OG1 ASP 15.A OD1 no hydrogen 3.337 N/A THR 122.A OG1 ASP 15.A OD2 no hydrogen 2.631 N/A TYR 123.A OH THR 170.A OG1 no hydrogen 2.643 N/A GLN 124.A N SER 163.A OG no hydrogen 3.175 N/A GLN 124.A NE2 THR 122.A OG1 no hydrogen 2.872 N/A ASP 125.A N ASP 93.A OD2 no hydrogen 2.741 N/A THR 130.A N ASP 127.A O no hydrogen 3.430 N/A THR 130.A OG1 ASP 127.A O no hydrogen 3.534 N/A LEU 133.A N LEU 161.A O no hydrogen 3.240 N/A TYR 135.A N SER 159.A O no hydrogen 3.165 N/A GLY 140.A N LEU 157.A O no hydrogen 2.828 N/A VAL 141.A N ASN 187.A O no hydrogen 2.866 N/A CYS 142.A N CYS 116.A O no hydrogen 2.989 N/A CYS 142.A SG LYS 242.A O no hydrogen 3.492 N/A TYR 146.A N ILE 155.A O no hydrogen 2.810 N/A SER 148.A N LYS 153.A O no hydrogen 3.019 N/A GLY 151.A N SER 148.A OG no hydrogen 2.843 N/A LYS 152.A N SER 148.A O no hydrogen 2.761 N/A LYS 153.A NZ PHE 106.A O no hydrogen 2.915 N/A ILE 155.A N TYR 146.A O no hydrogen 2.851 N/A LEU 157.A N LYS 144.A O no hydrogen 2.913 N/A ASN 158.A ND2 ALA 112.A O no hydrogen 2.853 N/A ASN 158.A ND2 VAL 115.A O no hydrogen 2.913 N/A ASN 158.A ND2 CYS 116.A O no hydrogen 3.234 N/A SER 159.A OG SER 105.A OG no hydrogen 2.849 N/A LEU 161.A N LEU 133.A O no hydrogen 2.817 N/A THR 162.A N LEU 120.A O no hydrogen 2.853 N/A THR 162.A OG1 HIS 119.A NE2 no hydrogen 2.766 N/A THR 162.A OG1 THR 180.A OG1 no hydrogen 2.880 N/A SER 163.A N LEU 131.A O no hydrogen 2.782 N/A SER 163.A OG GLN 124.A O no hydrogen 2.664 N/A SER 163.A OG LYS 165.A O no hydrogen 3.280 N/A THR 164.A N THR 122.A O no hydrogen 3.181 N/A LYS 165.A N SER 163.A OG no hydrogen 3.277 N/A LYS 165.A NZ ASP 93.A OD1 no hydrogen 3.348 N/A LYS 165.A NZ ASP 93.A OD2 no hydrogen 3.123 N/A ASN 166.A N LYS 169.A O no hydrogen 3.044 N/A ASN 166.A ND2 GLY 129.A O no hydrogen 3.468 N/A TYR 167.A N ASP 125.A OD1 no hydrogen 2.787 N/A GLY 168.A N ASP 125.A OD2 no hydrogen 2.739 N/A LYS 169.A N ASN 166.A O no hydrogen 3.409 N/A LYS 169.A NZ THR 170.A O no hydrogen 2.795 N/A THR 170.A OG1 TYR 123.A OH no hydrogen 2.643 N/A ILE 171.A N THR 164.A O no hydrogen 2.929 N/A LEU 172.A N GLU 175.A OE1 no hydrogen 2.788 N/A GLU 175.A N LEU 172.A O no hydrogen 3.015 N/A ALA 176.A N LEU 172.A O no hydrogen 2.923 N/A ASP 177.A N THR 173.A O no hydrogen 3.003 N/A VAL 179.A N GLU 175.A O no hydrogen 3.083 N/A THR 180.A N ALA 176.A O no hydrogen 3.110 N/A THR 180.A OG1 THR 162.A OG1 no hydrogen 2.880 N/A THR 180.A OG1 ALA 176.A O no hydrogen 3.487 N/A THR 181.A N ASP 177.A O no hydrogen 2.977 N/A THR 181.A OG1 ASP 177.A O no hydrogen 2.723 N/A HIS 182.A N LEU 178.A O no hydrogen 2.894 N/A HIS 182.A ND1 VAL 211.A O no hydrogen 2.783 N/A GLU 183.A N VAL 179.A O no hydrogen 2.879 N/A LEU 184.A N THR 180.A O no hydrogen 2.897 N/A GLY 185.A N THR 181.A O no hydrogen 2.820 N/A HIS 186.A N HIS 182.A O no hydrogen 3.141 N/A HIS 186.A ND1 ALA 190.A O no hydrogen 2.887 N/A HIS 186.A NE2 HIS 192.A NE2 no hydrogen 3.091 N/A ASN 187.A N GLU 183.A O no hydrogen 3.052 N/A ASN 187.A ND2 TYR 135.A O no hydrogen 2.805 N/A ASN 187.A ND2 SER 159.A O no hydrogen 3.131 N/A PHE 188.A N LEU 184.A O no hydrogen 2.808 N/A GLY 189.A N HIS 186.A O no hydrogen 2.898 N/A ALA 190.A N GLY 185.A O no hydrogen 2.968 N/A ASP 193.A N MET 212.A O no hydrogen 2.912 N/A LEU 197.A N PRO 194.A O no hydrogen 3.240 N/A CYS 200.A N LEU 197.A O no hydrogen 2.871 N/A ALA 201.A N LEU 197.A O no hydrogen 3.054 N/A ALA 201.A N ALA 198.A O no hydrogen 3.325 N/A GLN 206.A N ASN 203.A O no hydrogen 3.092 N/A GLY 207.A N GLU 204.A O no hydrogen 3.386 N/A GLY 208.A N ASN 203.A O no hydrogen 2.927 N/A LYS 209.A NZ PRO 202.A O no hydrogen 3.012 N/A VAL 211.A N MET 226.A O no hydrogen 2.870 N/A TYR 213.A N TYR 210.A O no hydrogen 3.123 N/A TYR 213.A OH ASP 195.A OD1 no hydrogen 2.666 N/A GLY 219.A N ASN 224.A OD1 no hydrogen 2.961 N/A HIS 221.A N ASN 224.A OD1 no hydrogen 3.221 N/A ASN 223.A N GLY 207.A O no hydrogen 2.991 N/A ASN 223.A ND2 GLN 206.A O no hydrogen 3.270 N/A ASN 223.A ND2 GLY 208.A O no hydrogen 2.920 N/A ASN 224.A N HIS 221.A O no hydrogen 3.205 N/A ASN 224.A ND2 LYS 209.A O no hydrogen 2.966 N/A MET 226.A N ASN 223.A O no hydrogen 2.869 N/A SER 228.A OG ASP 193.A OD1 no hydrogen 2.568 N/A SER 228.A OG SER 231.A OG no hydrogen 3.321 N/A GLN 229.A NE2 ASN 52.A OD1 no hydrogen 2.876 N/A SER 231.A N SER 228.A OG no hydrogen 2.951 N/A SER 231.A OG SER 228.A OG no hydrogen 3.321 N/A LYS 232.A N SER 228.A O no hydrogen 2.966 N/A LYS 232.A NZ ASN 52.A OD1 no hydrogen 3.155 N/A GLN 233.A N GLN 229.A O no hydrogen 2.968 N/A SER 234.A N CYS 230.A O no hydrogen 3.214 N/A SER 234.A OG CYS 230.A O no hydrogen 3.165 N/A ILE 235.A N SER 231.A O no hydrogen 2.831 N/A TYR 236.A N LYS 232.A O no hydrogen 2.777 N/A LYS 237.A N GLN 233.A O no hydrogen 3.411 N/A THR 238.A N SER 234.A O no hydrogen 3.302 N/A THR 238.A OG1 PHE 188.A O no hydrogen 3.028 N/A THR 238.A OG1 SER 234.A O no hydrogen 3.266 N/A ILE 239.A N ILE 235.A O no hydrogen 2.804 N/A GLU 240.A N TYR 236.A O no hydrogen 3.140 N/A SER 241.A N THR 238.A O no hydrogen 2.831 N/A LYS 242.A N THR 238.A O no hydrogen 2.751 N/A LYS 242.A N ILE 239.A O no hydrogen 3.278 N/A LYS 242.A NZ GLU 245.A OE1 no hydrogen 3.359 N/A ALA 243.A N ILE 239.A O no hydrogen 3.003 N/A GLN 244.A NE2 ASP 2.A OD2 no hydrogen 2.932 N/A CYS 246.A N LYS 242.A O no hydrogen 3.079 N/A PHE 247.A N ALA 243.A O no hydrogen 2.877 N/A GLN 248.A N THR 7.A O no hydrogen 2.823 N/A ARG 250.A NH1 ASP 42.A OD2 no hydrogen 2.721 N/A ARG 250.A NH2 ASP 42.A OD1 no hydrogen 2.753 N/A ARG 250.A NH2 ASP 42.A OD2 no hydrogen 3.321 N/A SER 251.A N GLN 61.A OE1 no hydrogen 2.836 N/A