Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3le6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N GLU 2.A OE2 no hydrogen 2.867 N/A PHE 4.A N MET 1.A O no hydrogen 2.996 N/A GLN 5.A N ARG 22.A O no hydrogen 2.731 N/A GLN 5.A NE2 LYS 6.A O no hydrogen 2.854 N/A VAL 7.A N LYS 20.A O no hydrogen 2.678 N/A GLU 8.A N LYS 20.A O no hydrogen 3.197 N/A LYS 9.A NZ GLU 12.A OE2 no hydrogen 3.163 N/A ILE 10.A N VAL 18.A O no hydrogen 2.948 N/A GLY 13.A N GLY 16.A O no hydrogen 2.865 N/A TYR 15.A OH GLY 142.A O no hydrogen 2.792 N/A VAL 18.A N GLY 11.A O no hydrogen 2.995 N/A TYR 19.A N LEU 32.A O no hydrogen 2.827 N/A LYS 20.A N GLU 8.A O no hydrogen 2.668 N/A ALA 21.A N VAL 30.A O no hydrogen 2.900 N/A ARG 22.A N GLN 5.A O no hydrogen 2.757 N/A ASN 23.A N GLU 28.A O no hydrogen 2.707 N/A LYS 24.A N ASN 3.A O no hydrogen 2.649 N/A LYS 24.A NZ GLU 2.A O no hydrogen 3.068 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.604 N/A THR 26.A N ASN 23.A OD1 no hydrogen 2.995 N/A GLY 27.A N ASN 23.A O no hydrogen 2.650 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.237 N/A VAL 30.A N ALA 21.A O no hydrogen 2.803 N/A ALA 31.A N PHE 69.A O no hydrogen 2.851 N/A LEU 32.A N TYR 19.A O no hydrogen 2.688 N/A LYS 33.A N LEU 67.A O no hydrogen 2.889 N/A LYS 33.A NZ GLY 16.A O no hydrogen 3.486 N/A LYS 34.A N VAL 17.A O no hydrogen 2.923 N/A ILE 35.A N LEU 65.A O no hydrogen 2.795 N/A ALA 39.A N PRO 36.A O no hydrogen 3.141 N/A ILE 40.A N PRO 36.A O no hydrogen 3.239 N/A ARG 41.A N SER 37.A O no hydrogen 2.878 N/A GLU 42.A N THR 38.A O no hydrogen 3.094 N/A ILE 43.A N ALA 39.A O no hydrogen 2.964 N/A SER 44.A N ILE 40.A O no hydrogen 3.029 N/A SER 44.A OG ILE 40.A O no hydrogen 2.900 N/A LEU 45.A N ARG 41.A O no hydrogen 3.072 N/A LEU 46.A N GLU 42.A O no hydrogen 3.302 N/A LEU 46.A N ILE 43.A O no hydrogen 2.948 N/A LYS 47.A N SER 44.A O no hydrogen 3.114 N/A LYS 47.A NZ ASP 59.A OD2 no hydrogen 3.188 N/A GLU 48.A N LEU 45.A O no hydrogen 3.331 N/A LEU 49.A N LEU 46.A O no hydrogen 3.122 N/A ASN 50.A N GLU 48.A O no hydrogen 3.064 N/A ASN 50.A ND2 LYS 47.A O no hydrogen 3.367 N/A ASN 53.A N HIS 51.A ND1 no hydrogen 2.938 N/A ASN 53.A ND2 GLN 99.A OE1 no hydrogen 3.167 N/A ASN 53.A ND2 ILE 130.A O no hydrogen 2.947 N/A ILE 54.A N HIS 51.A O no hydrogen 2.973 N/A VAL 55.A N LEU 132.A O no hydrogen 2.984 N/A LYS 56.A N GLU 70.A OE1 no hydrogen 3.019 N/A LEU 58.A N VAL 68.A O no hydrogen 2.737 N/A ASP 59.A N VAL 68.A O no hydrogen 3.222 N/A ILE 61.A N TYR 66.A O no hydrogen 2.853 N/A THR 63.A N LYS 64.A O no hydrogen 2.901 N/A LEU 65.A N ILE 35.A O no hydrogen 3.166 N/A TYR 66.A N ILE 61.A O no hydrogen 2.716 N/A LEU 67.A N LYS 33.A O no hydrogen 2.858 N/A VAL 68.A N ASP 59.A O no hydrogen 2.894 N/A PHE 69.A N ALA 31.A O no hydrogen 2.742 N/A GLU 70.A N LYS 56.A O no hydrogen 2.922 N/A LEU 76.A N LEU 122.A O no hydrogen 2.751 N/A LYS 78.A N ASP 75.A OD2 no hydrogen 3.273 N/A PHE 79.A N ASP 75.A O no hydrogen 3.350 N/A MET 80.A N LEU 76.A O no hydrogen 2.727 N/A ASP 81.A N LYS 77.A O no hydrogen 3.044 N/A ALA 82.A N LYS 78.A O no hydrogen 2.847 N/A SER 83.A N MET 80.A O no hydrogen 3.125 N/A SER 83.A OG PHE 79.A O no hydrogen 2.746 N/A ALA 84.A N ASP 81.A O no hydrogen 3.056 N/A THR 86.A N SER 83.A O no hydrogen 3.183 N/A GLY 87.A N SER 83.A O no hydrogen 2.518 N/A LEU 92.A N PRO 89.A O no hydrogen 3.048 N/A ILE 93.A N PRO 89.A O no hydrogen 2.998 N/A LYS 94.A N LEU 90.A O no hydrogen 2.703 N/A LYS 94.A NZ PHE 274.A O no hydrogen 3.078 N/A LYS 94.A NZ ASP 277.A OD1 no hydrogen 2.646 N/A LYS 94.A NZ ASP 277.A OD2 no hydrogen 3.536 N/A SER 95.A N PRO 91.A O no hydrogen 2.989 N/A SER 95.A OG THR 279.A O no hydrogen 3.283 N/A TYR 96.A N LEU 92.A O no hydrogen 2.824 N/A LEU 97.A N ILE 93.A O no hydrogen 2.953 N/A PHE 98.A N LYS 94.A O no hydrogen 2.991 N/A GLN 99.A N SER 95.A O no hydrogen 3.010 N/A GLN 99.A NE2 SER 95.A O no hydrogen 3.369 N/A GLN 99.A NE2 SER 95.A OG no hydrogen 3.020 N/A GLN 99.A NE2 GLY 128.A O no hydrogen 2.953 N/A LEU 100.A N TYR 96.A O no hydrogen 2.904 N/A LEU 101.A N LEU 97.A O no hydrogen 2.925 N/A GLN 102.A N PHE 98.A O no hydrogen 3.155 N/A GLN 102.A NE2 PHE 98.A O no hydrogen 3.511 N/A GLY 103.A N GLN 99.A O no hydrogen 3.022 N/A LEU 104.A N LEU 100.A O no hydrogen 2.897 N/A ALA 105.A N LEU 101.A O no hydrogen 2.738 N/A PHE 106.A N GLN 102.A O no hydrogen 3.069 N/A CYS 107.A N GLY 103.A O no hydrogen 3.132 N/A CYS 107.A SG GLY 103.A O no hydrogen 3.645 N/A HIS 108.A N LEU 104.A O no hydrogen 2.809 N/A HIS 108.A NE2 ASP 174.A OD2 no hydrogen 2.785 N/A SER 109.A N ALA 105.A O no hydrogen 3.024 N/A SER 109.A OG PHE 106.A O no hydrogen 2.526 N/A HIS 110.A N CYS 107.A O no hydrogen 2.880 N/A HIS 110.A ND1 PHE 106.A O no hydrogen 3.242 N/A ARG 111.A N HIS 108.A O no hydrogen 2.801 N/A VAL 112.A N CYS 107.A O no hydrogen 3.051 N/A HIS 114.A N ASP 174.A OD2 no hydrogen 2.782 N/A HIS 114.A NE2 ALA 133.A O no hydrogen 2.773 N/A ARG 115.A N ASP 174.A OD1 no hydrogen 2.800 N/A ARG 115.A NE ARG 115.A O no hydrogen 2.928 N/A ARG 115.A NH1 TYR 169.A OH no hydrogen 3.166 N/A ARG 115.A NH2 ARG 115.A O no hydrogen 3.473 N/A ASP 116.A N HIS 114.A ND1 no hydrogen 2.976 N/A LYS 118.A N ASN 121.A OD1 no hydrogen 3.079 N/A LYS 118.A NZ ASP 116.A OD2 no hydrogen 2.978 N/A GLN 120.A N GLN 120.A OE1 no hydrogen 2.952 N/A ASN 121.A N LYS 118.A O no hydrogen 3.035 N/A ASN 121.A ND2 ASP 116.A O no hydrogen 2.894 N/A LEU 122.A N PRO 119.A O no hydrogen 3.215 N/A LEU 123.A N LYS 131.A O no hydrogen 2.855 N/A ILE 124.A N GLN 74.A O no hydrogen 2.802 N/A ASN 125.A N ALA 129.A O no hydrogen 3.347 N/A GLU 127.A N ASN 125.A OD1 no hydrogen 2.886 N/A GLY 128.A N ASN 125.A O no hydrogen 3.387 N/A ALA 129.A N ASN 125.A OD1 no hydrogen 3.079 N/A ILE 130.A N GLN 99.A OE1 no hydrogen 3.125 N/A LYS 131.A N LEU 123.A O no hydrogen 2.788 N/A LYS 131.A NZ GLU 70.A OE1 no hydrogen 3.370 N/A LYS 131.A NZ GLU 70.A OE2 no hydrogen 2.571 N/A LEU 132.A N ASN 53.A O no hydrogen 2.964 N/A ALA 133.A N ASN 121.A O no hydrogen 2.775 N/A LEU 137.A N ASP 134.A O no hydrogen 3.277 N/A ARG 139.A NE GLU 42.A OE1 no hydrogen 3.398 N/A ALA 140.A N LEU 137.A O no hydrogen 3.019 N/A PHE 141.A N LEU 137.A O no hydrogen 2.900 N/A GLY 142.A N ALA 138.A O no hydrogen 2.570 N/A ARG 146.A NH1 HIS 150.A O no hydrogen 3.346 N/A THR 147.A N GLU 151.A O no hydrogen 2.792 N/A THR 147.A OG1 THR 149.A OG1 no hydrogen 2.831 N/A TYR 148.A N THR 14.A O no hydrogen 3.118 N/A THR 149.A N THR 147.A OG1 no hydrogen 3.196 N/A THR 149.A OG1 THR 147.A OG1 no hydrogen 2.831 N/A HIS 150.A N THR 147.A O no hydrogen 2.830 N/A GLU 151.A N THR 147.A OG1 no hydrogen 3.198 N/A VAL 153.A N VAL 145.A O no hydrogen 3.091 N/A TRP 156.A N THR 154.A OG1 no hydrogen 3.350 N/A TYR 157.A OH GLU 184.A OE1 no hydrogen 2.611 N/A ARG 158.A N LEU 155.A O no hydrogen 3.009 N/A GLU 161.A N GLU 161.A OE1 no hydrogen 2.734 N/A ILE 162.A N ALA 159.A O no hydrogen 3.163 N/A LEU 163.A N ALA 159.A O no hydrogen 3.331 N/A LEU 164.A N PRO 160.A O no hydrogen 2.801 N/A GLY 165.A N ILE 162.A O no hydrogen 3.179 N/A CYS 166.A N GLU 161.A O no hydrogen 3.076 N/A ALA 172.A N SER 170.A OG no hydrogen 3.087 N/A VAL 173.A N SER 170.A O no hydrogen 3.053 N/A ASP 174.A N THR 171.A O no hydrogen 3.013 N/A TRP 176.A N ALA 172.A O no hydrogen 3.135 N/A SER 177.A N VAL 173.A O no hydrogen 3.194 N/A SER 177.A OG TYR 157.A O no hydrogen 2.692 N/A SER 177.A OG VAL 173.A O no hydrogen 3.205 N/A LEU 178.A N ASP 174.A O no hydrogen 2.984 N/A GLY 179.A N ILE 175.A O no hydrogen 2.918 N/A CYS 180.A N TRP 176.A O no hydrogen 3.034 N/A CYS 180.A SG TRP 176.A O no hydrogen 3.517 N/A ILE 181.A N SER 177.A O no hydrogen 3.058 N/A PHE 182.A N LEU 178.A O no hydrogen 2.821 N/A ALA 183.A N GLY 179.A O no hydrogen 2.946 N/A GLU 184.A N CYS 180.A O no hydrogen 3.045 N/A MET 185.A N ILE 181.A O no hydrogen 2.960 N/A VAL 186.A N PHE 182.A O no hydrogen 3.210 N/A THR 187.A N ALA 183.A O no hydrogen 2.983 N/A THR 187.A OG1 ALA 183.A O no hydrogen 3.034 N/A ARG 188.A N GLU 184.A O no hydrogen 2.759 N/A ARG 188.A NH2 ALA 84.A O no hydrogen 3.200 N/A GLY 194.A N PHE 192.A O no hydrogen 2.919 N/A GLY 194.A N GLN 200.A OE1 no hydrogen 2.854 N/A ASP 195.A N ASP 199.A OD2 no hydrogen 3.119 N/A ASP 199.A N SER 196.A OG no hydrogen 3.091 N/A GLN 200.A N SER 196.A O no hydrogen 2.778 N/A GLN 200.A NE2 TRP 156.A O no hydrogen 3.261 N/A GLN 200.A NE2 PHE 192.A O no hydrogen 2.951 N/A LEU 201.A N GLU 197.A O no hydrogen 2.942 N/A PHE 202.A N ILE 198.A O no hydrogen 2.920 N/A ARG 203.A N ASP 199.A O no hydrogen 2.961 N/A ARG 203.A NE ASP 199.A OD2 no hydrogen 3.118 N/A ILE 204.A N GLN 200.A O no hydrogen 3.107 N/A PHE 205.A N LEU 201.A O no hydrogen 2.837 N/A ARG 206.A N PHE 202.A O no hydrogen 2.752 N/A ARG 206.A NH2 ASP 199.A OD1 no hydrogen 3.498 N/A THR 207.A N ARG 203.A O no hydrogen 3.350 N/A THR 207.A N ILE 204.A O no hydrogen 3.249 N/A THR 207.A OG1 ARG 203.A O no hydrogen 3.542 N/A LEU 208.A N ILE 204.A O no hydrogen 2.874 N/A GLY 209.A N PHE 205.A O no hydrogen 2.737 N/A THR 210.A N TRP 232.A O no hydrogen 2.951 N/A THR 210.A OG1 PRO 230.A O no hydrogen 2.643 N/A VAL 215.A N ASP 212.A OD1 no hydrogen 3.010 N/A TRP 216.A N ASP 212.A O no hydrogen 2.921 N/A GLY 218.A N GLU 213.A OE1 no hydrogen 2.823 N/A VAL 219.A N TRP 216.A O no hydrogen 3.064 N/A THR 220.A N GLU 213.A OE2 no hydrogen 3.212 N/A THR 220.A OG1 GLU 213.A OE2 no hydrogen 2.593 N/A SER 221.A N GLY 218.A O no hydrogen 3.118 N/A MET 222.A N VAL 219.A O no hydrogen 3.105 N/A ASP 224.A N LEU 164.A O no hydrogen 2.898 N/A TYR 225.A N MET 222.A O no hydrogen 3.121 N/A PHE 229.A N LYS 226.A O no hydrogen 2.931 N/A TRP 232.A N THR 210.A OG1 no hydrogen 2.785 N/A ARG 234.A NH1 LEU 208.A O no hydrogen 3.007 N/A GLN 235.A N THR 207.A O no hydrogen 2.875 N/A LYS 239.A N ASP 236.A O no hydrogen 2.836 N/A VAL 240.A N PHE 237.A O no hydrogen 2.996 N/A VAL 241.A N PHE 237.A O no hydrogen 3.087 N/A LEU 244.A N VAL 241.A O no hydrogen 2.851 N/A GLY 248.A N ASP 245.A OD2 no hydrogen 2.835 N/A ARG 249.A N ASP 245.A O no hydrogen 2.893 N/A ARG 249.A NH1 LEU 244.A O no hydrogen 3.065 N/A SER 250.A N GLU 246.A O no hydrogen 2.850 N/A SER 250.A OG HIS 272.A NE2 no hydrogen 3.034 N/A LEU 251.A N ASP 247.A O no hydrogen 3.034 N/A LEU 252.A N GLY 248.A O no hydrogen 2.926 N/A SER 253.A N ARG 249.A O no hydrogen 2.930 N/A SER 253.A OG ARG 249.A O no hydrogen 3.363 N/A SER 253.A OG SER 250.A O no hydrogen 2.750 N/A GLN 254.A N SER 250.A O no hydrogen 3.192 N/A GLN 254.A NE2 SER 250.A O no hydrogen 3.258 N/A GLN 254.A NE2 SER 250.A OG no hydrogen 3.224 N/A MET 255.A N LEU 251.A O no hydrogen 2.973 N/A LEU 256.A N SER 253.A O no hydrogen 3.360 N/A TYR 258.A OH GLY 209.A O no hydrogen 2.582 N/A ASN 261.A N ASP 259.A OD1 no hydrogen 2.933 N/A LYS 262.A N ASP 259.A O no hydrogen 2.852 N/A LYS 262.A NZ ASP 259.A OD2 no hydrogen 3.100 N/A ARG 263.A N ASP 259.A O no hydrogen 2.832 N/A ARG 263.A NE HIS 257.A O no hydrogen 2.862 N/A ARG 263.A NH1 GLU 161.A OE1 no hydrogen 3.540 N/A ARG 263.A NH1 GLU 161.A OE2 no hydrogen 2.859 N/A ARG 263.A NH1 ALA 172.A O no hydrogen 2.832 N/A ARG 263.A NH2 GLU 161.A OE1 no hydrogen 2.810 N/A ARG 263.A NH2 GLU 161.A OE2 no hydrogen 3.440 N/A ARG 263.A NH2 HIS 257.A O no hydrogen 3.323 N/A ARG 263.A NH2 TYR 258.A O no hydrogen 3.120 N/A ILE 264.A N GLN 254.A O no hydrogen 3.075 N/A ALA 268.A N SER 265.A OG no hydrogen 3.066 N/A ALA 269.A N SER 265.A O no hydrogen 2.850 N/A LEU 270.A N ALA 266.A O no hydrogen 3.110 N/A ALA 271.A N ALA 268.A O no hydrogen 3.148 N/A HIS 272.A N ALA 269.A O no hydrogen 2.929 N/A HIS 272.A NE2 SER 250.A OG no hydrogen 3.034 N/A PHE 274.A N HIS 272.A ND1 no hydrogen 2.915 N/A PHE 275.A N HIS 272.A O no hydrogen 3.008 N/A GLN 276.A N PRO 273.A O no hydrogen 2.920 N/A VAL 278.A N PHE 275.A O no hydrogen 3.157 N/A