Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3grb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 1.A SG HIS 47.A ND1 no hydrogen 3.840 N/A MET 4.A N TYR 96.A O no hydrogen 2.916 N/A VAL 5.A N LEU 46.A O no hydrogen 3.281 N/A LYS 6.A N ILE 98.A O no hydrogen 2.853 N/A LYS 6.A NZ SER 43.A O no hydrogen 3.257 N/A LYS 6.A NZ GLU 45.A OE2 no hydrogen 2.468 N/A VAL 7.A N GLY 44.A O no hydrogen 2.842 N/A LEU 8.A N ALA 100.A O no hydrogen 2.869 N/A ASP 9.A N SER 14.A O.A no hydrogen 2.767 N/A ASP 9.A N SER 14.A O.B no hydrogen 2.747 N/A ALA 10.A N LEU 102.A O no hydrogen 2.895 N/A VAL 11.A N ASP 9.A OD1 no hydrogen 2.930 N/A ARG 12.A N ASP 9.A OD1 no hydrogen 3.050 N/A ARG 12.A NH2 ASP 9.A OD2 no hydrogen 2.784 N/A GLY 13.A N ASP 9.A O no hydrogen 2.934 N/A SER 14.A N.A ASP 9.A O no hydrogen 3.269 N/A SER 14.A N.B ASP 9.A O no hydrogen 3.292 N/A SER 14.A OG.A PRO 15.A O no hydrogen 3.185 N/A SER 14.A OG.B ARG 12.A O no hydrogen 3.568 N/A ALA 16.A N VAL 7.A O no hydrogen 2.953 N/A ASN 18.A N THR 40.A O no hydrogen 2.949 N/A VAL 19.A N THR 40.A OG1 no hydrogen 2.945 N/A VAL 21.A N GLY 38.A O no hydrogen 2.896 N/A HIS 22.A N.A GLU 63.A O.A no hydrogen 2.869 N/A HIS 22.A N.A GLU 63.A O.B no hydrogen 2.785 N/A HIS 22.A N.B GLU 63.A O.A no hydrogen 2.870 N/A HIS 22.A N.B GLU 63.A O.B no hydrogen 2.785 N/A VAL 23.A N ALA 36.A O no hydrogen 2.700 N/A PHE 24.A N LYS 61.A O no hydrogen 2.836 N/A ARG 25.A N GLU 33.A O no hydrogen 2.851 N/A LYS 26.A N ILE 59.A O no hydrogen 2.723 N/A ALA 27.A N THR 31.A O no hydrogen 2.701 N/A ASP 30.A N ALA 27.A O no hydrogen 2.926 N/A THR 31.A N ASP 29.A OD1 no hydrogen 3.167 N/A THR 31.A OG1 ASP 29.A OD1 no hydrogen 2.401 N/A GLU 33.A N ARG 25.A O no hydrogen 2.878 N/A PHE 35.A N VAL 23.A O no hydrogen 2.912 N/A ALA 36.A N VAL 23.A O no hydrogen 3.399 N/A GLY 38.A N VAL 21.A O no hydrogen 3.105 N/A THR 40.A N VAL 19.A O no hydrogen 2.869 N/A THR 40.A OG1 ALA 16.A O no hydrogen 2.619 N/A SER 41.A N GLU 45.A O no hydrogen 2.759 N/A SER 41.A OG GLU 45.A O no hydrogen 3.149 N/A SER 43.A N SER 41.A OG no hydrogen 3.151 N/A SER 43.A OG SER 41.A OG no hydrogen 2.897 N/A GLY 44.A N SER 41.A O no hydrogen 2.959 N/A GLU 45.A N SER 41.A OG no hydrogen 3.284 N/A LEU 46.A N VAL 5.A O no hydrogen 2.831 N/A HIS 47.A NE2 GLU 45.A OE1 no hydrogen 2.647 N/A THR 50.A OG1 THR 51.A O no hydrogen 3.542 N/A THR 51.A OG1 GLU 54.A OE2 no hydrogen 2.766 N/A GLU 54.A N THR 51.A OG1 no hydrogen 3.392 N/A PHE 55.A N THR 51.A O no hydrogen 2.961 N/A VAL 56.A N GLU 54.A O no hydrogen 2.876 N/A TYR 60.A N PHE 86.A O no hydrogen 2.852 N/A TYR 60.A OH VAL 56.A O no hydrogen 2.555 N/A LYS 61.A N PHE 24.A O no hydrogen 2.797 N/A LYS 61.A NZ GLU 63.A OE2.B no hydrogen 3.037 N/A VAL 62.A N VAL 84.A O no hydrogen 2.744 N/A GLU 63.A N.A HIS 22.A O.A no hydrogen 2.807 N/A GLU 63.A N.A HIS 22.A O.B no hydrogen 2.807 N/A GLU 63.A N.B HIS 22.A O.A no hydrogen 2.803 N/A GLU 63.A N.B HIS 22.A O.B no hydrogen 2.803 N/A ILE 64.A N ALA 82.A O no hydrogen 2.745 N/A ASP 65.A N.A ALA 20.A O no hydrogen 2.880 N/A ASP 65.A N.B ALA 20.A O no hydrogen 2.902 N/A THR 66.A N GLU 80.A O no hydrogen 2.996 N/A THR 66.A OG1 HIS 79.A O no hydrogen 2.981 N/A LYS 67.A N ASP 65.A OD2.B no hydrogen 3.350 N/A TYR 69.A N THR 66.A O no hydrogen 3.121 N/A TYR 69.A OH ASP 9.A OD2 no hydrogen 2.987 N/A TRP 70.A NE1.A ASP 9.A OD1 no hydrogen 3.190 N/A LYS 71.A N SER 68.A O no hydrogen 3.082 N/A LEU 73.A N TRP 70.A O.A no hydrogen 2.817 N/A LEU 73.A N TRP 70.A O.B no hydrogen 2.751 N/A GLY 74.A N LYS 71.A O no hydrogen 2.877 N/A MET 78.A N PRO 104.A O no hydrogen 2.866 N/A HIS 79.A NE2 GLU 83.A OE1 no hydrogen 3.252 N/A GLU 80.A N GLU 80.A OE1 no hydrogen 2.811 N/A HIS 81.A ND1 GLU 83.A OE1 no hydrogen 2.938 N/A ALA 82.A N ILE 64.A O no hydrogen 2.837 N/A VAL 84.A N VAL 62.A O no hydrogen 2.844 N/A PHE 86.A N TYR 60.A O no hydrogen 2.937 N/A ALA 88.A N GLY 58.A O no hydrogen 2.757 N/A ASN 89.A N TYR 96.A OH no hydrogen 2.932 N/A ASN 89.A ND2 GLY 92.A O no hydrogen 3.059 N/A ASN 89.A ND2 ARG 94.A O no hydrogen 3.303 N/A ARG 95.A N THR 114.A O no hydrogen 2.950 N/A TYR 96.A N PRO 2.A O no hydrogen 2.763 N/A TYR 96.A OH THR 87.A O no hydrogen 3.415 N/A THR 97.A N VAL 112.A O no hydrogen 2.989 N/A ILE 98.A N MET 4.A O no hydrogen 2.865 N/A ALA 99.A N THR 110.A O no hydrogen 2.894 N/A ALA 100.A N LYS 6.A O no hydrogen 2.807 N/A MET 101.A N.A SER 108.A O no hydrogen 2.748 N/A MET 101.A N.B SER 108.A O no hydrogen 2.774 N/A LEU 102.A N LEU 8.A O no hydrogen 2.945 N/A SER 103.A N SER 106.A O no hydrogen 2.866 N/A TYR 105.A OH SER 76.A O no hydrogen 2.967 N/A SER 106.A N SER 103.A O no hydrogen 3.422 N/A SER 108.A N MET 101.A O.A no hydrogen 2.955 N/A SER 108.A N MET 101.A O.B no hydrogen 3.022 N/A THR 110.A N ALA 99.A O no hydrogen 2.871 N/A VAL 112.A N THR 97.A O no hydrogen 2.856 N/A THR 114.A N ARG 95.A O no hydrogen 2.991 N/A