Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N THR 37.A O no hydrogen 2.806 N/A TRP 3.A N VAL 35.A O no hydrogen 2.788 N/A ASN 4.A N VAL 170.A O no hydrogen 2.818 N/A LEU 5.A N GLY 33.A O no hydrogen 2.885 N/A ASP 6.A N GLU 168.A O no hydrogen 2.755 N/A SER 8.A N ASP 6.A OD1 no hydrogen 2.946 N/A HIS 9.A N ASP 6.A O no hydrogen 3.028 N/A HIS 9.A ND1 ASP 6.A OD2 no hydrogen 2.853 N/A THR 10.A OG1 ASP 6.A O no hydrogen 2.870 N/A SER 11.A N GLU 166.A O no hydrogen 2.759 N/A ASP 13.A N ASN 164.A O no hydrogen 2.915 N/A PHE 14.A N GLY 26.A O no hydrogen 2.881 N/A LYS 15.A N LYS 162.A O no hydrogen 2.867 N/A VAL 16.A N VAL 24.A O no hydrogen 3.021 N/A ARG 17.A NH1 GLU 160.A OE1 no hydrogen 3.047 N/A HIS 18.A N ALA 22.A O no hydrogen 2.783 N/A MET 19.A N LEU 156.A O no hydrogen 2.738 N/A ILE 21.A N HIS 18.A O no hydrogen 3.144 N/A ALA 22.A N HIS 18.A O no hydrogen 3.246 N/A SER 23.A OG VAL 16.A O no hydrogen 3.420 N/A VAL 24.A N VAL 16.A O no hydrogen 2.871 N/A GLY 26.A N PHE 14.A O no hydrogen 3.116 N/A SER 27.A N ALA 56.A O no hydrogen 2.853 N/A LEU 28.A N ILE 12.A O no hydrogen 3.078 N/A LYS 29.A N SER 54.A OG no hydrogen 2.726 N/A LEU 31.A N VAL 49.A O no hydrogen 2.714 N/A SER 32.A N VAL 49.A O no hydrogen 3.355 N/A SER 34.A N GLU 47.A O no hydrogen 2.913 N/A SER 34.A OG GLU 47.A OE2 no hydrogen 2.701 N/A VAL 35.A N TRP 3.A O no hydrogen 2.929 N/A GLU 36.A N GLN 45.A O no hydrogen 2.802 N/A THR 37.A N MET 1.A O no hydrogen 2.865 N/A THR 37.A OG1 MET 1.A O no hydrogen 3.348 N/A ASP 38.A N ARG 42.A O no hydrogen 2.925 N/A GLY 41.A N ASP 38.A O no hydrogen 2.756 N/A ARG 42.A N ASP 38.A OD1 no hydrogen 2.875 N/A ARG 42.A NH2 TYR 95.A OH no hydrogen 3.478 N/A ILE 44.A N GLU 36.A O no hydrogen 2.735 N/A GLN 45.A N GLU 36.A O no hydrogen 3.378 N/A VAL 46.A N SER 84.A OG no hydrogen 2.884 N/A GLU 47.A N SER 34.A O no hydrogen 3.005 N/A ALA 48.A N PHE 82.A O no hydrogen 2.867 N/A VAL 49.A N SER 32.A O no hydrogen 2.855 N/A ILE 50.A N ILE 80.A O no hydrogen 2.805 N/A ASP 51.A N LYS 29.A O no hydrogen 2.888 N/A ALA 52.A N PRO 78.A O no hydrogen 2.889 N/A ALA 53.A N ASP 51.A OD2 no hydrogen 2.932 N/A SER 54.A N ASP 51.A O no hydrogen 2.987 N/A SER 54.A OG ASP 51.A O no hydrogen 2.610 N/A ILE 55.A N ALA 52.A O no hydrogen 3.363 N/A ALA 56.A N SER 27.A O no hydrogen 3.038 N/A THR 57.A N ASP 63.A OD1 no hydrogen 2.973 N/A THR 57.A N ASP 63.A OD2 no hydrogen 2.992 N/A THR 57.A OG1 ASP 63.A OD1 no hydrogen 2.547 N/A GLN 61.A N GLU 59.A OE2 no hydrogen 2.947 N/A ARG 62.A N GLU 59.A OE1 no hydrogen 2.670 N/A ARG 62.A NE THR 57.A OG1 no hydrogen 2.761 N/A ARG 62.A NH1 THR 57.A O no hydrogen 3.145 N/A ASP 63.A N GLU 59.A O no hydrogen 2.895 N/A GLY 64.A N PRO 60.A O no hydrogen 2.830 N/A HIS 65.A N GLN 61.A O no hydrogen 2.997 N/A LEU 66.A N ARG 62.A O no hydrogen 2.852 N/A ARG 67.A N ASP 63.A O no hydrogen 2.984 N/A SER 68.A N HIS 65.A O no hydrogen 3.172 N/A SER 68.A OG HIS 65.A O no hydrogen 2.691 N/A ASP 70.A N SER 68.A OG no hydrogen 3.100 N/A PHE 71.A N SER 68.A O no hydrogen 2.866 N/A LEU 72.A N LEU 66.A O no hydrogen 2.869 N/A HIS 73.A N SER 68.A O no hydrogen 2.822 N/A ALA 74.A N ARG 67.A O no hydrogen 2.884 N/A GLN 76.A N HIS 73.A O no hydrogen 3.027 N/A TYR 77.A N HIS 73.A O no hydrogen 2.899 N/A ILE 80.A N ILE 50.A O no hydrogen 3.003 N/A ARG 81.A N THR 102.A O no hydrogen 3.039 N/A ARG 81.A NH1 GLU 79.A OE2 no hydrogen 2.825 N/A ARG 81.A NH2 GLU 79.A OE2 no hydrogen 2.762 N/A PHE 82.A N ALA 48.A O no hydrogen 2.979 N/A VAL 83.A N ASN 100.A O no hydrogen 3.059 N/A SER 84.A N VAL 46.A O no hydrogen 2.934 N/A SER 84.A OG GLN 45.A OE1 no hydrogen 3.212 N/A SER 84.A OG VAL 46.A O no hydrogen 3.385 N/A THR 85.A N GLN 98.A O no hydrogen 2.813 N/A GLN 86.A N GLN 98.A O no hydrogen 3.310 N/A GLU 88.A N ARG 96.A O no hydrogen 2.862 N/A LEU 90.A N ARG 94.A O no hydrogen 2.866 N/A ASN 93.A ND2 VAL 116.A O no hydrogen 3.550 N/A ARG 94.A N GLY 91.A O no hydrogen 3.123 N/A ARG 94.A NH2 GLU 113.A OE1 no hydrogen 3.506 N/A TYR 95.A N ALA 114.A O no hydrogen 3.022 N/A ARG 96.A N GLU 88.A O no hydrogen 2.893 N/A ARG 96.A NE GLU 113.A OE2 no hydrogen 2.808 N/A ILE 97.A N LEU 112.A O no hydrogen 2.853 N/A GLN 98.A N GLN 86.A O no hydrogen 2.844 N/A GLY 99.A N VAL 110.A O no hydrogen 2.976 N/A ASN 100.A N VAL 83.A O no hydrogen 2.759 N/A LEU 101.A N LYS 108.A O no hydrogen 2.850 N/A THR 102.A N ARG 81.A O no hydrogen 2.810 N/A THR 102.A OG1 THR 107.A OG1 no hydrogen 2.653 N/A ILE 103.A N ILE 106.A O no hydrogen 2.930 N/A ARG 104.A NH2 TRP 142.A O no hydrogen 3.265 N/A ARG 104.A NH2 ASN 143.A O no hydrogen 2.997 N/A ILE 106.A N ILE 103.A O no hydrogen 3.087 N/A THR 107.A OG1 THR 102.A OG1 no hydrogen 2.653 N/A LYS 108.A N LEU 101.A O no hydrogen 2.988 N/A VAL 110.A N GLY 99.A O no hydrogen 2.813 N/A THR 111.A OG1 GLN 98.A OE1 no hydrogen 2.695 N/A LEU 112.A N ILE 97.A O no hydrogen 2.799 N/A GLU 113.A N SER 134.A O no hydrogen 2.951 N/A ALA 114.A N TYR 95.A O no hydrogen 2.941 N/A GLU 115.A N SER 132.A O no hydrogen 2.821 N/A VAL 116.A N ASN 93.A O no hydrogen 2.901 N/A SER 117.A N ALA 130.A O no hydrogen 2.792 N/A SER 117.A OG ALA 118.A O no hydrogen 2.998 N/A SER 117.A OG ALA 130.A O no hydrogen 3.387 N/A ILE 120.A N ARG 128.A O no hydrogen 2.707 N/A ASP 122.A N MET 126.A O no hydrogen 2.827 N/A TRP 124.A N ASP 122.A OD2 no hydrogen 2.929 N/A GLN 127.A N ALA 171.A O no hydrogen 2.954 N/A GLN 127.A NE2 PRO 172.A O no hydrogen 2.764 N/A GLN 127.A NE2 ALA 173.A O no hydrogen 2.571 N/A ARG 128.A N ILE 120.A O no hydrogen 2.921 N/A ARG 128.A NE ASP 122.A OD1 no hydrogen 3.055 N/A ARG 128.A NH1 ASP 6.A OD2 no hydrogen 3.015 N/A ARG 128.A NH1 GLU 168.A OE2 no hydrogen 2.868 N/A VAL 129.A N ALA 169.A O no hydrogen 2.982 N/A ALA 130.A N SER 117.A OG no hydrogen 3.120 N/A ALA 131.A N VAL 167.A O no hydrogen 2.964 N/A SER 132.A N GLU 115.A O no hydrogen 3.014 N/A SER 132.A OG GLU 115.A OE1 no hydrogen 3.238 N/A ALA 133.A N LEU 165.A O no hydrogen 3.037 N/A SER 134.A N GLU 113.A O no hydrogen 2.861 N/A GLY 135.A N PHE 163.A O no hydrogen 3.149 N/A GLN 136.A NE2 GLU 160.A OE2 no hydrogen 3.070 N/A ILE 137.A N VAL 161.A O no hydrogen 2.989 N/A ASN 138.A ND2 GLU 159.A OE2 no hydrogen 3.170 N/A ARG 139.A N GLU 159.A O no hydrogen 2.980 N/A ARG 139.A NE GLY 158.A O no hydrogen 2.760 N/A ARG 139.A NH1 LEU 144.A O no hydrogen 2.840 N/A ARG 139.A NH2 VAL 157.A O no hydrogen 2.901 N/A ARG 139.A NH2 GLY 158.A O no hydrogen 3.205 N/A LYS 140.A N ASN 138.A OD1 no hydrogen 2.880 N/A ASP 141.A N ASN 138.A O no hydrogen 2.969 N/A TRP 142.A N ARG 139.A O no hydrogen 3.046 N/A TRP 142.A NE1 LEU 101.A O no hydrogen 2.968 N/A ASN 143.A N LYS 140.A O no hydrogen 2.957 N/A LEU 144.A N ARG 139.A O no hydrogen 3.198 N/A GLY 158.A N ARG 17.A O no hydrogen 2.936 N/A VAL 161.A N ILE 137.A O no hydrogen 2.754 N/A LYS 162.A N LYS 15.A O no hydrogen 3.101 N/A PHE 163.A N GLY 135.A O no hydrogen 2.852 N/A ASN 164.A N ASP 13.A O no hydrogen 2.759 N/A LEU 165.A N ALA 133.A O no hydrogen 2.756 N/A GLU 166.A N SER 11.A O no hydrogen 2.950 N/A VAL 167.A N ALA 131.A O no hydrogen 2.791 N/A ALA 169.A N VAL 129.A O no hydrogen 2.815 N/A VAL 170.A N ASN 4.A O no hydrogen 2.866 N/A ALA 171.A N GLN 127.A O no hydrogen 3.003 N/A