Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xle_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N ASP 6.A OD2 no hydrogen 2.948 N/A GLU 5.A N GLU 5.A OE1.A no hydrogen 2.799 N/A GLU 5.A N GLU 5.A OE1.B no hydrogen 2.850 N/A ASP 6.A N LYS 3.A O no hydrogen 2.913 N/A VAL 8.A N PRO 4.A O no hydrogen 3.051 N/A LYS 9.A N GLU 5.A O no hydrogen 2.950 N/A TYR 10.A N ASP 6.A O no hydrogen 3.012 N/A ARG 11.A N ALA 7.A O no hydrogen 2.921 N/A ARG 11.A NH1 ALA 57.A O no hydrogen 2.922 N/A ARG 11.A NH1 THR 62.A O.A no hydrogen 2.862 N/A ARG 11.A NH1 THR 62.A O.B no hydrogen 2.933 N/A ARG 11.A NH1 THR 62.A OG1.A no hydrogen 3.286 N/A ARG 11.A NH1 THR 62.A OG1.B no hydrogen 3.054 N/A ARG 11.A NH2 THR 62.A O.A no hydrogen 3.286 N/A ARG 11.A NH2 THR 62.A O.B no hydrogen 2.926 N/A ARG 11.A NH2 GLY 64.A O no hydrogen 2.994 N/A GLN 12.A N VAL 8.A O no hydrogen 2.971 N/A SER 13.A N LYS 9.A O no hydrogen 3.037 N/A SER 13.A OG LYS 9.A O no hydrogen 2.989 N/A ALA 14.A N TYR 10.A O no hydrogen 2.842 N/A LEU 15.A N ARG 11.A O no hydrogen 2.889 N/A THR 16.A N GLN 12.A O no hydrogen 2.937 N/A THR 16.A OG1 GLN 12.A O no hydrogen 2.908 N/A LEU 17.A N.A SER 13.A O no hydrogen 2.954 N/A LEU 17.A N.B SER 13.A O no hydrogen 3.089 N/A MET 18.A N.A ALA 14.A O no hydrogen 2.728 N/A MET 18.A N.B ALA 14.A O no hydrogen 3.065 N/A ALA 19.A N.A LEU 15.A O no hydrogen 2.844 N/A ALA 19.A N.B LEU 15.A O no hydrogen 3.000 N/A SER 20.A N THR 16.A O no hydrogen 3.043 N/A HIS 21.A N LEU 17.A O.A no hydrogen 3.243 N/A HIS 21.A N LEU 17.A O.B no hydrogen 2.809 N/A HIS 21.A ND1 ASN 43.A OD1 no hydrogen 2.839 N/A PHE 22.A N MET 18.A O.A no hydrogen 3.100 N/A PHE 22.A N MET 18.A O.B no hydrogen 2.754 N/A GLY 23.A N ALA 19.A O.A no hydrogen 2.941 N/A GLY 23.A N ALA 19.A O.B no hydrogen 2.665 N/A ARG 24.A N SER 20.A O no hydrogen 2.996 N/A ARG 24.A NE SER 20.A O no hydrogen 3.031 N/A ARG 24.A NH2 SER 20.A OG no hydrogen 2.857 N/A MET 25.A N PHE 22.A O no hydrogen 3.037 N/A THR 26.A N GLY 23.A O no hydrogen 2.985 N/A THR 26.A OG1 GLY 23.A O no hydrogen 3.040 N/A VAL 29.A N MET 25.A O no hydrogen 3.006 N/A LYS 30.A N THR 26.A O no hydrogen 3.013 N/A GLY 31.A N VAL 28.A O no hydrogen 3.047 N/A ALA 33.A N PRO 27.A O no hydrogen 3.085 N/A GLN 39.A N ASP 36.A OD1.A no hydrogen 2.896 N/A ILE 40.A N ASP 36.A O no hydrogen 3.053 N/A LYS 41.A N ALA 37.A O no hydrogen 2.900 N/A ALA 42.A N ALA 38.A O no hydrogen 3.000 N/A ASN 43.A N GLN 39.A O no hydrogen 2.977 N/A ASN 43.A ND2 HIS 21.A O no hydrogen 2.882 N/A VAL 44.A N ILE 40.A O no hydrogen 2.855 N/A GLU 45.A N LYS 41.A O no hydrogen 3.073 N/A VAL 46.A N ALA 42.A O no hydrogen 3.181 N/A LEU 47.A N ASN 43.A O no hydrogen 2.904 N/A LYS 48.A N VAL 44.A O no hydrogen 2.785 N/A THR 49.A N GLU 45.A O no hydrogen 3.272 N/A THR 49.A OG1 GLU 45.A O no hydrogen 3.401 N/A LEU 50.A N VAL 46.A O no hydrogen 2.948 N/A SER 51.A N LEU 47.A O no hydrogen 2.801 N/A SER 51.A OG.A LEU 47.A O no hydrogen 3.139 N/A SER 51.A OG.A LYS 48.A O no hydrogen 2.650 N/A SER 51.A OG.B LEU 47.A O no hydrogen 3.067 N/A ALA 52.A N THR 49.A O no hydrogen 3.374 N/A LEU 53.A N LEU 50.A O no hydrogen 3.030 N/A TRP 55.A NE1.A SER 51.A O no hydrogen 2.858 N/A TRP 55.A NE1.B SER 51.A O no hydrogen 2.790 N/A ALA 56.A N.B LEU 53.A O no hydrogen 3.478 N/A ALA 57.A N PRO 54.A O no hydrogen 3.009 N/A PHE 58.A N TRP 55.A O.A no hydrogen 3.131 N/A GLY 61.A N.A GLU 63.A OE2.A no hydrogen 3.147 N/A THR 62.A N.A GLY 59.A O.A no hydrogen 3.259 N/A THR 62.A N.A GLY 59.A O.B no hydrogen 3.145 N/A THR 62.A N.B GLY 59.A O.A no hydrogen 3.219 N/A THR 62.A N.B GLY 59.A O.B no hydrogen 3.213 N/A THR 62.A OG1.A GLY 59.A O.A no hydrogen 2.674 N/A THR 62.A OG1.A GLY 59.A O.B no hydrogen 2.786 N/A THR 62.A OG1.B GLY 59.A O.A no hydrogen 2.705 N/A THR 62.A OG1.B GLY 59.A O.B no hydrogen 2.935 N/A GLU 63.A N.A GLU 63.A OE1.A no hydrogen 2.893 N/A GLU 63.A N.B GLU 63.A OE2.B no hydrogen 2.755 N/A ALA 67.A N GLY 64.A O no hydrogen 3.302 N/A ARG 68.A N TYR 122.A O no hydrogen 2.953 N/A ARG 68.A NE.A GLU 70.A OE1.A no hydrogen 3.137 N/A ARG 68.A NH1.B ASP 120.A O no hydrogen 3.166 N/A ARG 68.A NH2.A GLU 70.A OE2.A no hydrogen 2.822 N/A ARG 68.A NH2.B ASP 120.A O no hydrogen 3.404 N/A GLU 70.A N GLU 70.A OE1.A no hydrogen 3.121 N/A GLU 70.A N GLU 70.A OE2.B no hydrogen 2.709 N/A ILE 71.A N ARG 68.A O no hydrogen 3.050 N/A TRP 72.A N.A PRO 69.A O no hydrogen 2.979 N/A TRP 72.A N.B PRO 69.A O no hydrogen 2.745 N/A TRP 72.A NE1.A GLY 59.A O.A no hydrogen 2.473 N/A TRP 72.A NE1.A GLY 59.A O.B no hydrogen 3.189 N/A TRP 72.A NE1.B GLY 59.A O.A no hydrogen 3.185 N/A SER 73.A N.A PRO 69.A O no hydrogen 3.352 N/A SER 73.A N.B PRO 69.A O no hydrogen 2.695 N/A ASP 74.A N.A GLU 70.A O no hydrogen 2.948 N/A ASP 74.A N.B GLU 70.A O no hydrogen 2.544 N/A PHE 78.A N.A ASP 74.A O.A no hydrogen 3.046 N/A PHE 78.A N.A ASP 74.A O.B no hydrogen 3.362 N/A PHE 78.A N.B ASP 74.A O.A no hydrogen 3.031 N/A PHE 78.A N.B ASP 74.A O.B no hydrogen 3.198 N/A LYS 79.A N ALA 75.A O.A no hydrogen 3.028 N/A LYS 79.A N ALA 75.A O.B no hydrogen 2.941 N/A GLN 80.A N.A ALA 76.A O.A no hydrogen 2.951 N/A GLN 80.A N.A ALA 76.A O.B no hydrogen 3.204 N/A GLN 80.A N.B ALA 76.A O.A no hydrogen 2.943 N/A GLN 80.A N.B ALA 76.A O.B no hydrogen 3.170 N/A LYS 81.A N SER 77.A O.A no hydrogen 3.004 N/A LYS 81.A N SER 77.A O.B no hydrogen 3.274 N/A GLN 82.A N PHE 78.A O.A no hydrogen 3.009 N/A GLN 82.A N PHE 78.A O.B no hydrogen 2.933 N/A GLN 82.A NE2 GLN 86.A OE1.B no hydrogen 2.831 N/A GLN 83.A N LYS 79.A O no hydrogen 2.797 N/A GLN 83.A NE2 GLN 86.A OE1.B no hydrogen 2.605 N/A ALA 84.A N GLN 80.A O.A no hydrogen 2.891 N/A ALA 84.A N GLN 80.A O.B no hydrogen 3.157 N/A PHE 85.A N LYS 81.A O no hydrogen 3.216 N/A GLN 86.A N GLN 82.A O no hydrogen 2.925 N/A ASP 87.A N GLN 83.A O no hydrogen 2.813 N/A ASN 88.A N ALA 84.A O no hydrogen 2.920 N/A ASN 88.A ND2.A SER 114.A OG.B no hydrogen 2.876 N/A ASN 88.A ND2.B ALA 84.A O no hydrogen 2.398 N/A ILE 89.A N PHE 85.A O no hydrogen 2.933 N/A VAL 90.A N GLN 86.A O no hydrogen 3.042 N/A LYS 91.A N.A ASP 87.A O no hydrogen 3.200 N/A LYS 91.A N.B ASP 87.A O no hydrogen 3.222 N/A LYS 91.A NZ.A ASN 88.A OD1.A no hydrogen 2.730 N/A LYS 91.A NZ.A ASP 110.A OD2 no hydrogen 2.943 N/A LYS 91.A NZ.B ASN 88.A OD1.A no hydrogen 3.023 N/A LYS 91.A NZ.B ASP 110.A OD2 no hydrogen 2.705 N/A LEU 92.A N ASN 88.A O no hydrogen 3.007 N/A SER 93.A N ILE 89.A O no hydrogen 2.914 N/A SER 93.A OG ILE 89.A O no hydrogen 3.367 N/A ALA 94.A N VAL 90.A O no hydrogen 2.971 N/A ALA 95.A N LYS 91.A O.A no hydrogen 2.896 N/A ALA 95.A N LYS 91.A O.B no hydrogen 3.136 N/A ALA 96.A N LEU 92.A O no hydrogen 2.917 N/A ASP 97.A N.A SER 93.A O no hydrogen 2.822 N/A ASP 97.A N.B SER 93.A O no hydrogen 2.963 N/A ALA 98.A N.A ALA 94.A O no hydrogen 3.019 N/A ALA 98.A N.B ALA 94.A O no hydrogen 3.014 N/A ALA 98.A N.B ALA 95.A O no hydrogen 2.929 N/A GLY 99.A N.A ALA 96.A O no hydrogen 3.102 N/A GLY 99.A N.B ALA 95.A O no hydrogen 3.129 N/A GLY 99.A N.B ALA 96.A O no hydrogen 3.388 N/A LYS 103.A N ASP 100.A OD1 no hydrogen 2.995 N/A LEU 104.A N ASP 100.A O no hydrogen 2.853 N/A ARG 105.A N.A LEU 101.A O no hydrogen 2.899 N/A ARG 105.A N.B LEU 101.A O no hydrogen 2.917 N/A ALA 106.A N ASP 102.A O.A no hydrogen 3.198 N/A ALA 106.A N ASP 102.A O.B no hydrogen 3.300 N/A ALA 107.A N LYS 103.A O no hydrogen 2.935 N/A PHE 108.A N LEU 104.A O no hydrogen 2.797 N/A GLY 109.A N ARG 105.A O.A no hydrogen 3.081 N/A GLY 109.A N ARG 105.A O.B no hydrogen 3.275 N/A ASP 110.A N ALA 106.A O no hydrogen 3.131 N/A VAL 111.A N ALA 107.A O no hydrogen 3.040 N/A GLY 112.A N PHE 108.A O no hydrogen 2.962 N/A ALA 113.A N GLY 109.A O no hydrogen 2.978 N/A SER 114.A N ASP 110.A O no hydrogen 3.127 N/A SER 114.A OG.B ASP 110.A O no hydrogen 3.413 N/A CYS 115.A N VAL 111.A O no hydrogen 2.920 N/A CYS 115.A SG VAL 111.A O no hydrogen 3.336 N/A LYS 116.A N GLY 112.A O no hydrogen 3.057 N/A LYS 116.A NZ ASP 120.A OD2 no hydrogen 2.704 N/A ALA 117.A N ALA 113.A O no hydrogen 2.912 N/A CYS 118.A N SER 114.A O no hydrogen 3.273 N/A HIS 119.A N CYS 115.A O no hydrogen 2.917 N/A HIS 119.A ND1 ASP 120.A OD1 no hydrogen 2.848 N/A ASP 120.A N LYS 116.A O no hydrogen 2.908 N/A ALA 121.A N CYS 118.A O no hydrogen 3.140 N/A TYR 122.A N CYS 118.A O no hydrogen 2.852 N/A LYS 123.A N HIS 119.A O no hydrogen 3.142 N/A LYS 124.A N.A ASP 66.A O no hydrogen 2.821 N/A LYS 124.A N.B ASP 66.A O no hydrogen 2.799 N/A LYS 124.A NZ.B GLY 65.A O.A no hydrogen 2.417 N/A LYS 124.A NZ.B GLY 65.A O.B no hydrogen 3.015 N/A