Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2hub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N THR 40.A OG1 no hydrogen 2.897 N/A LYS 1.A NZ.A GLU 7.A OE2 no hydrogen 2.922 N/A LYS 1.A NZ.B GLU 7.A OE2 no hydrogen 2.805 N/A PHE 3.A N PHE 38.A O no hydrogen 2.910 N/A GLY 4.A N GLU 7.A OE1 no hydrogen 2.940 N/A ARG 5.A NH1 TRP 123.A O no hydrogen 2.968 N/A ARG 5.A NH1 ARG 125.A O no hydrogen 2.872 N/A ARG 5.A NH2 ARG 125.A O no hydrogen 3.048 N/A CYS 6.A SG ARG 125.A O no hydrogen 3.904 N/A LEU 8.A N GLY 4.A O no hydrogen 2.862 N/A ALA 9.A N ARG 5.A O no hydrogen 2.959 N/A ALA 10.A N CYS 6.A O no hydrogen 2.940 N/A ALA 11.A N GLU 7.A O no hydrogen 3.002 N/A MET 12.A N LEU 8.A O no hydrogen 2.826 N/A LYS 13.A N ALA 9.A O no hydrogen 2.945 N/A LYS 13.A NZ LEU 129.A OXT.B no hydrogen 2.676 N/A ARG 14.A N ALA 10.A O no hydrogen 2.937 N/A ARG 14.A NH1.A ARG 14.A O no hydrogen 3.467 N/A HIS 15.A N ALA 11.A O no hydrogen 3.239 N/A GLY 16.A N LYS 13.A O no hydrogen 2.835 N/A LEU 17.A N MET 12.A O no hydrogen 3.054 N/A ASN 19.A N TYR 23.A O no hydrogen 2.851 N/A TYR 20.A N LEU 17.A O no hydrogen 2.967 N/A ARG 21.A NE SER 100.A OG no hydrogen 2.839 N/A ARG 21.A NH2 SER 100.A OG no hydrogen 3.167 N/A GLY 22.A N ASN 19.A O no hydrogen 2.920 N/A TYR 23.A N TYR 20.A O no hydrogen 3.122 N/A LEU 25.A N ASP 18.A OD1.A no hydrogen 2.953 N/A ASN 27.A N SER 24.A O no hydrogen 2.899 N/A ASN 27.A ND2 SER 24.A O no hydrogen 3.465 N/A VAL 29.A N LEU 25.A O no hydrogen 3.052 N/A CYS 30.A N GLY 26.A O no hydrogen 2.848 N/A ALA 31.A N ASN 27.A O no hydrogen 2.943 N/A ALA 32.A N TRP 28.A O no hydrogen 3.010 N/A LYS 33.A N VAL 29.A O no hydrogen 2.881 N/A LYS 33.A NZ ASN 37.A OD1 no hydrogen 2.745 N/A PHE 34.A N CYS 30.A O no hydrogen 3.137 N/A GLU 35.A N ALA 31.A O no hydrogen 2.794 N/A SER 36.A N ALA 32.A O no hydrogen 2.915 N/A SER 36.A OG ALA 32.A O no hydrogen 3.035 N/A SER 36.A OG ILE 55.A O no hydrogen 2.796 N/A ASN 37.A N LYS 33.A O no hydrogen 2.876 N/A PHE 38.A N ALA 32.A O no hydrogen 3.518 N/A ASN 39.A N SER 36.A O no hydrogen 3.108 N/A THR 40.A N LYS 1.A O no hydrogen 2.861 N/A THR 40.A OG1 LYS 1.A O no hydrogen 3.331 N/A THR 40.A OG1 LEU 84.A O no hydrogen 3.237 N/A GLN 41.A N ASN 39.A OD1 no hydrogen 3.052 N/A ALA 42.A N ASN 39.A O no hydrogen 3.186 N/A ASN 44.A N ASP 52.A O no hydrogen 2.967 N/A ASN 44.A ND2 GLN 57.A OE1 no hydrogen 2.702 N/A ARG 45.A NH1 GLY 49.A O no hydrogen 3.074 N/A ASN 46.A N SER 50.A O no hydrogen 2.785 N/A GLY 49.A N ASN 46.A O no hydrogen 2.980 N/A SER 50.A N ASP 48.A OD1 no hydrogen 2.857 N/A SER 50.A OG ASN 46.A OD1 no hydrogen 2.920 N/A SER 50.A OG ASP 48.A OD1 no hydrogen 2.574 N/A SER 50.A OG ASP 48.A OD2 no hydrogen 3.498 N/A THR 51.A N SER 60.A OG no hydrogen 2.851 N/A ASP 52.A N ASN 44.A O no hydrogen 2.833 N/A TYR 53.A N ILE 58.A O no hydrogen 2.918 N/A TYR 53.A OH ASP 66.A OD2 no hydrogen 2.667 N/A GLY 54.A N ALA 42.A O no hydrogen 2.754 N/A GLN 57.A N GLY 54.A O no hydrogen 2.997 N/A GLN 57.A NE2 ALA 42.A O no hydrogen 3.058 N/A GLN 57.A NE2 ASP 52.A O no hydrogen 3.635 N/A GLN 57.A NE2 GLY 54.A O no hydrogen 2.906 N/A ILE 58.A N TYR 53.A O no hydrogen 2.982 N/A ASN 59.A ND2.A SER 50.A OG no hydrogen 2.826 N/A ASN 59.A ND2.A ASP 52.A OD1 no hydrogen 2.939 N/A SER 60.A N THR 51.A O no hydrogen 2.984 N/A SER 60.A OG THR 51.A O no hydrogen 3.297 N/A SER 60.A OG ASP 66.A OD2 no hydrogen 3.227 N/A SER 60.A OG THR 69.A OG1 no hydrogen 2.703 N/A ARG 61.A N ASN 59.A OD1.A no hydrogen 2.737 N/A ARG 61.A N ASN 59.A OD1.B no hydrogen 3.086 N/A ARG 61.A NH1 ARG 61.A O no hydrogen 3.299 N/A TRP 62.A N ASN 59.A OD1.B no hydrogen 3.092 N/A TRP 63.A N ASN 59.A O no hydrogen 2.985 N/A CYS 64.A N ASN 59.A O no hydrogen 3.364 N/A CYS 64.A SG ILE 58.A O no hydrogen 3.984 N/A ASN 65.A N ILE 78.A O no hydrogen 2.916 N/A GLY 67.A N ASN 65.A OD1 no hydrogen 2.993 N/A ARG 68.A N ASP 66.A OD1 no hydrogen 3.067 N/A ARG 68.A NH2 THR 51.A OG1 no hydrogen 2.914 N/A THR 69.A OG1 SER 60.A OG no hydrogen 2.703 N/A THR 69.A OG1 ASP 66.A OD1 no hydrogen 2.703 N/A THR 69.A OG1 ASP 66.A OD2 no hydrogen 3.190 N/A SER 72.A N THR 69.A O no hydrogen 3.291 N/A SER 72.A OG SER 60.A O no hydrogen 3.400 N/A ARG 73.A N ARG 61.A O no hydrogen 2.910 N/A LEU 75.A N TRP 62.A O no hydrogen 2.802 N/A CYS 76.A N TRP 63.A O no hydrogen 2.882 N/A ASN 77.A N.A ASN 74.A O no hydrogen 2.903 N/A ASN 77.A N.B ASN 74.A O no hydrogen 2.919 N/A ILE 78.A N ASN 74.A OD1 no hydrogen 2.980 N/A CYS 80.A N ASN 65.A O no hydrogen 2.905 N/A ALA 82.A N PRO 79.A O no hydrogen 2.981 N/A LEU 83.A N CYS 80.A O no hydrogen 2.956 N/A LEU 84.A N SER 81.A O no hydrogen 3.100 N/A SER 85.A OG ASP 87.A O no hydrogen 3.490 N/A ASP 87.A N SER 85.A OG no hydrogen 2.973 N/A THR 89.A N ASP 87.A OD1 no hydrogen 2.971 N/A THR 89.A OG1 HIS 15.A NE2 no hydrogen 3.088 N/A THR 89.A OG1 ASP 87.A OD1 no hydrogen 2.566 N/A SER 91.A OG LEU 83.A O no hydrogen 3.400 N/A VAL 92.A N ILE 88.A O no hydrogen 2.858 N/A ASN 93.A N THR 89.A O no hydrogen 2.898 N/A CYS 94.A N ALA 90.A O no hydrogen 3.026 N/A ALA 95.A N SER 91.A O no hydrogen 2.792 N/A LYS 96.A N VAL 92.A O no hydrogen 2.925 N/A LYS 96.A NZ HIS 15.A O no hydrogen 2.696 N/A LYS 97.A N ASN 93.A O no hydrogen 3.475 N/A ILE 98.A N CYS 94.A O no hydrogen 2.907 N/A VAL 99.A N ALA 95.A O no hydrogen 2.869 N/A SER 100.A N LYS 96.A O no hydrogen 3.281 N/A SER 100.A N LYS 97.A O no hydrogen 3.147 N/A SER 100.A OG LYS 96.A O no hydrogen 2.675 N/A ASP 101.A N ILE 98.A O no hydrogen 3.062 N/A GLY 102.A N ASP 101.A OD1 no hydrogen 2.847 N/A GLY 104.A N ASP 101.A O no hydrogen 3.226 N/A MET 105.A N TYR 23.A OH no hydrogen 3.125 N/A ASN 106.A N ASN 103.A O.A no hydrogen 3.183 N/A ASN 106.A N ASN 103.A O.B no hydrogen 2.954 N/A ASN 106.A ND2 ASN 103.A O.A no hydrogen 2.868 N/A ASN 106.A ND2 ASN 103.A O.B no hydrogen 3.052 N/A ALA 107.A N GLY 104.A O no hydrogen 3.380 N/A TRP 108.A N MET 105.A O no hydrogen 2.960 N/A TRP 108.A NE1 LEU 56.A O no hydrogen 2.779 N/A ALA 110.A N GLU 35.A OE2 no hydrogen 2.990 N/A TRP 111.A NE1 ASN 27.A OD1 no hydrogen 2.888 N/A ARG 112.A N TRP 108.A O no hydrogen 2.970 N/A ARG 112.A NH1 ASN 106.A O no hydrogen 2.855 N/A ASN 113.A N VAL 109.A O no hydrogen 2.939 N/A ARG 114.A N ALA 110.A O no hydrogen 2.878 N/A CYS 115.A N TRP 111.A O no hydrogen 2.922 N/A LYS 116.A N TRP 111.A O no hydrogen 2.834 N/A LYS 116.A NZ ASN 106.A OD1 no hydrogen 2.885 N/A THR 118.A N CYS 115.A O no hydrogen 2.990 N/A THR 118.A OG1 CYS 115.A O no hydrogen 2.694 N/A ALA 122.A N ASP 119.A O no hydrogen 3.253 N/A TRP 123.A N VAL 120.A O no hydrogen 2.961 N/A ILE 124.A N GLN 121.A O no hydrogen 3.035 N/A ARG 125.A N ALA 122.A O no hydrogen 3.215 N/A CYS 127.A N ILE 124.A O no hydrogen 3.050 N/A CYS 127.A SG ILE 124.A O no hydrogen 3.484 N/A CYS 127.A SG ARG 125.A O no hydrogen 3.824 N/A