Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kue_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N GLU 61.A OE2 no hydrogen 2.640 N/A THR 1.A N THR 62.A O no hydrogen 2.867 N/A ALA 3.A N LEU 60.A O no hydrogen 2.817 N/A TYR 4.A N LEU 100.A O no hydrogen 2.948 N/A ILE 5.A N VAL 58.A O no hydrogen 2.853 N/A ALA 6.A N ASP 97.A O no hydrogen 2.770 N/A ILE 7.A N ALA 56.A O no hydrogen 2.960 N/A GLY 8.A N ASP 95.A O no hydrogen 2.902 N/A SER 9.A N LEU 54.A O no hydrogen 2.971 N/A SER 9.A OG THR 93.A O no hydrogen 3.261 N/A ASN 10.A N THR 93.A O no hydrogen 3.247 N/A ASN 10.A ND2 PRO 91.A O no hydrogen 3.100 N/A LEU 11.A N SER 9.A OG no hydrogen 3.020 N/A GLU 16.A N SER 13.A O no hydrogen 3.328 N/A GLN 17.A N SER 13.A O no hydrogen 3.481 N/A VAL 18.A N PRO 14.A O no hydrogen 2.946 N/A ASN 19.A N LEU 15.A O no hydrogen 3.059 N/A ALA 20.A N GLU 16.A O no hydrogen 2.923 N/A ALA 21.A N GLN 17.A O no hydrogen 3.004 N/A LEU 22.A N VAL 18.A O no hydrogen 2.876 N/A LYS 23.A N ASN 19.A O no hydrogen 3.012 N/A LYS 23.A NZ ASP 27.A OD2 no hydrogen 3.264 N/A ALA 24.A N ALA 20.A O no hydrogen 2.977 N/A LEU 25.A N ALA 21.A O no hydrogen 2.853 N/A GLY 26.A N LEU 22.A O no hydrogen 3.021 N/A ASP 27.A N LYS 23.A O no hydrogen 3.155 N/A ASP 27.A N ALA 24.A O no hydrogen 3.052 N/A ILE 28.A N LEU 25.A O no hydrogen 3.156 N/A SER 31.A OG PRO 29.A O no hydrogen 2.768 N/A SER 31.A OG THR 62.A OG1 no hydrogen 2.660 N/A HIS 32.A N.A GLU 61.A O no hydrogen 2.822 N/A HIS 32.A N.B GLU 61.A O no hydrogen 2.778 N/A HIS 32.A ND1.A ILE 33.A O no hydrogen 3.043 N/A LEU 34.A N ALA 59.A O no hydrogen 2.754 N/A THR 35.A N ALA 59.A O no hydrogen 3.482 N/A SER 37.A N ALA 57.A O no hydrogen 2.873 N/A SER 37.A OG SER 38.A O no hydrogen 2.716 N/A SER 37.A OG ALA 57.A O no hydrogen 3.358 N/A SER 38.A N GLU 130.A OE1 no hydrogen 2.806 N/A SER 38.A N GLU 130.A OE2 no hydrogen 3.403 N/A SER 38.A OG GLU 130.A OE1 no hydrogen 3.469 N/A SER 38.A OG GLU 130.A OE2 no hydrogen 2.624 N/A TYR 40.A N ASN 55.A O no hydrogen 2.817 N/A TYR 40.A OH GLU 130.A OE1 no hydrogen 2.620 N/A ARG 41.A N ASN 156.A O no hydrogen 2.861 N/A ARG 41.A NH1 ASP 52.A OD2 no hydrogen 2.937 N/A ARG 41.A NH2 TRP 158.A O no hydrogen 2.888 N/A THR 42.A N TYR 53.A O no hydrogen 2.817 N/A GLN 50.A N GLN 48.A O no hydrogen 2.930 N/A GLN 50.A NE2 LEU 45.A O no hydrogen 3.205 N/A TYR 53.A N THR 42.A O no hydrogen 2.812 N/A LEU 54.A N SER 9.A O no hydrogen 2.775 N/A ASN 55.A N TYR 40.A O no hydrogen 2.850 N/A ASN 55.A ND2 TYR 40.A O no hydrogen 3.575 N/A ASN 55.A ND2 THR 42.A OG1 no hydrogen 2.766 N/A ALA 56.A N ILE 7.A O no hydrogen 2.927 N/A ALA 57.A N SER 37.A OG no hydrogen 2.866 N/A VAL 58.A N ILE 5.A O no hydrogen 2.827 N/A ALA 59.A N THR 35.A O no hydrogen 2.925 N/A LEU 60.A N ALA 3.A O no hydrogen 2.814 N/A GLU 61.A N HIS 32.A O.A no hydrogen 2.864 N/A GLU 61.A N HIS 32.A O.B no hydrogen 2.815 N/A THR 62.A N THR 1.A O no hydrogen 2.793 N/A THR 62.A OG1 GLU 30.A O no hydrogen 3.413 N/A THR 62.A OG1 SER 31.A OG no hydrogen 2.660 N/A SER 63.A N GLU 30.A O no hydrogen 2.945 N/A SER 63.A OG.B GLU 30.A O no hydrogen 3.255 N/A SER 63.A OG.B GLU 30.A OE1 no hydrogen 3.080 N/A LEU 64.A N THR 62.A OG1 no hydrogen 3.125 N/A ALA 65.A N GLU 68.A OE1 no hydrogen 2.935 N/A LEU 69.A N ALA 65.A O no hydrogen 2.941 N/A LEU 70.A N PRO 66.A O no hydrogen 2.930 N/A ASN 71.A N GLU 67.A O no hydrogen 3.033 N/A HIS 72.A N GLU 68.A O no hydrogen 3.362 N/A THR 73.A N LEU 69.A O no hydrogen 2.929 N/A THR 73.A OG1 LEU 69.A O no hydrogen 3.416 N/A THR 73.A OG1 LEU 70.A O no hydrogen 3.221 N/A GLN 74.A N LEU 70.A O no hydrogen 2.946 N/A ARG 75.A N ASN 71.A O no hydrogen 2.926 N/A ARG 75.A NH1 GLN 79.A OE1 no hydrogen 2.855 N/A ARG 75.A NH2 HIS 72.A ND1 no hydrogen 2.953 N/A ILE 76.A N HIS 72.A O no hydrogen 2.896 N/A ALA 77.A N THR 73.A O no hydrogen 3.034 N/A LEU 78.A N GLN 74.A O no hydrogen 3.017 N/A GLN 79.A N ARG 75.A O no hydrogen 2.893 N/A GLN 80.A N ILE 76.A O no hydrogen 2.868 N/A GLN 80.A NE2.B ALA 20.A O no hydrogen 2.971 N/A GLY 81.A N ALA 77.A O no hydrogen 2.913 N/A ALA 86.A N ARG 82.A O no hydrogen 2.971 N/A ARG 92.A NH1 ASN 10.A O no hydrogen 2.933 N/A ARG 92.A NH1 ALA 12.A O no hydrogen 3.459 N/A THR 93.A N ASN 10.A OD1 no hydrogen 2.635 N/A THR 93.A OG1.A TRP 89.A O no hydrogen 3.052 N/A THR 93.A OG1.B ASP 95.A OD1 no hydrogen 3.218 N/A ASP 95.A N GLY 8.A O no hydrogen 2.748 N/A ASP 97.A N ALA 6.A O no hydrogen 2.930 N/A MET 99.A N TYR 4.A O no hydrogen 2.759 N/A LEU 100.A N TYR 4.A O no hydrogen 3.359 N/A GLY 102.A N VAL 2.A O no hydrogen 2.826 N/A GLU 104.A N PHE 101.A O no hydrogen 2.910 N/A ILE 106.A N VAL 113.A O no hydrogen 2.748 N/A THR 108.A N LEU 111.A O no hydrogen 2.907 N/A THR 108.A OG1 GLU 67.A OE2.A no hydrogen 3.268 N/A THR 108.A OG1 LEU 111.A O no hydrogen 3.025 N/A ARG 110.A NH1 GLU 67.A O no hydrogen 3.464 N/A ARG 110.A NH1 ASN 71.A OD1 no hydrogen 3.006 N/A ARG 110.A NH2 ASN 71.A OD1 no hydrogen 2.304 N/A ARG 110.A NH2 GLN 74.A OE1 no hydrogen 2.956 N/A LEU 111.A N THR 108.A OG1 no hydrogen 2.911 N/A VAL 113.A N ILE 106.A O no hydrogen 2.944 N/A HIS 115.A N MET 99.A O no hydrogen 2.950 N/A ASP 117.A N HIS 115.A ND1 no hydrogen 3.224 N/A MET 118.A N HIS 115.A O no hydrogen 3.370 N/A LYS 119.A NZ ASP 139.A OD1 no hydrogen 3.495 N/A LYS 119.A NZ GLU 141.A OE1.B no hydrogen 2.978 N/A LYS 119.A NZ GLU 141.A OE2.A no hydrogen 3.006 N/A ASN 120.A N ASP 117.A O no hydrogen 2.821 N/A ASN 120.A ND2 ASP 117.A OD1 no hydrogen 2.875 N/A ARG 121.A N MET 118.A O no hydrogen 3.099 N/A ARG 121.A NE ASP 117.A OD2 no hydrogen 2.784 N/A ARG 121.A NH2 ASP 117.A OD2 no hydrogen 3.516 N/A MET 124.A N ARG 121.A O no hydrogen 2.912 N/A LEU 125.A N ARG 121.A O no hydrogen 2.971 N/A TRP 126.A N GLY 122.A O no hydrogen 2.926 N/A LEU 128.A N MET 124.A O no hydrogen 3.175 N/A PHE 129.A N LEU 125.A O no hydrogen 2.831 N/A GLU 130.A N TRP 126.A O no hydrogen 3.022 N/A ILE 131.A N PRO 127.A O no hydrogen 3.297 N/A ILE 131.A N LEU 128.A O no hydrogen 3.190 N/A ALA 132.A N LEU 128.A O no hydrogen 2.737 N/A LEU 135.A N ALA 132.A O no hydrogen 3.062 N/A PHE 137.A N GLU 141.A O no hydrogen 2.824 N/A GLY 140.A N PHE 137.A O no hydrogen 2.917 N/A GLU 141.A N ASP 139.A OD1 no hydrogen 2.944 N/A LEU 143.A N LEU 135.A O no hydrogen 2.964 N/A ARG 144.A NH2.A GLU 134.A OE1.A no hydrogen 2.946 N/A GLN 145.A N.A MET 142.A O.A no hydrogen 2.914 N/A GLN 145.A N.A MET 142.A O.B no hydrogen 3.089 N/A GLN 145.A N.A MET 142.A O.C no hydrogen 3.129 N/A ILE 146.A N MET 142.A O.A no hydrogen 3.179 N/A ILE 146.A N MET 142.A O.B no hydrogen 3.149 N/A ILE 146.A N MET 142.A O.C no hydrogen 3.171 N/A LEU 147.A N LEU 143.A O no hydrogen 3.188 N/A HIS 148.A N ARG 144.A O.B no hydrogen 3.007 N/A HIS 148.A N ARG 144.A O.C no hydrogen 3.004 N/A HIS 148.A N GLN 145.A O.A no hydrogen 2.954 N/A HIS 148.A N GLN 145.A O.B no hydrogen 2.938 N/A THR 149.A N ILE 146.A O no hydrogen 3.225 N/A THR 149.A OG1 GLN 145.A O.A no hydrogen 3.184 N/A THR 149.A OG1 GLN 145.A O.B no hydrogen 3.211 N/A ARG 150.A N ILE 146.A O no hydrogen 2.938 N/A TRP 158.A N PHE 39.A O no hydrogen 2.765 N/A