Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kgs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 1.A SG LEU 3.A O no hydrogen 3.572 N/A MET 4.A N TYR 96.A O no hydrogen 2.869 N/A VAL 5.A N LEU 46.A O no hydrogen 3.234 N/A LYS 6.A N ILE 98.A O no hydrogen 2.749 N/A LYS 6.A NZ GLU 45.A OE2 no hydrogen 3.207 N/A VAL 7.A N GLY 44.A O no hydrogen 2.830 N/A LEU 8.A N ALA 100.A O no hydrogen 2.866 N/A ASP 9.A N SER 14.A O no hydrogen 2.792 N/A ALA 10.A N LEU 102.A O no hydrogen 2.840 N/A VAL 11.A N ASP 9.A OD1 no hydrogen 2.791 N/A ARG 12.A N ASP 9.A OD1 no hydrogen 2.902 N/A ARG 12.A NE ASP 9.A OD2 no hydrogen 3.175 N/A ARG 12.A NH2 TYR 69.A OH no hydrogen 2.790 N/A GLY 13.A N ASP 9.A O no hydrogen 2.927 N/A SER 14.A N ASP 9.A O no hydrogen 3.310 N/A SER 14.A OG PRO 15.A O no hydrogen 3.123 N/A ALA 16.A N VAL 7.A O no hydrogen 2.894 N/A ASN 18.A N THR 40.A O no hydrogen 2.993 N/A VAL 19.A N THR 40.A OG1 no hydrogen 2.833 N/A MET 21.A N GLY 38.A O no hydrogen 2.903 N/A HIS 22.A N GLU 63.A O no hydrogen 3.020 N/A VAL 23.A N ALA 36.A O no hydrogen 2.613 N/A PHE 24.A N LYS 61.A O no hydrogen 2.794 N/A ARG 25.A N GLU 33.A O no hydrogen 2.832 N/A ARG 25.A NH2 GLU 57.A O no hydrogen 2.769 N/A LYS 26.A N ILE 59.A O no hydrogen 2.849 N/A LYS 26.A NZ.B ASP 30.A O no hydrogen 3.182 N/A ALA 27.A N THR 31.A O no hydrogen 2.839 N/A ASP 30.A N ALA 27.A O no hydrogen 2.894 N/A THR 31.A N ASP 29.A OD1 no hydrogen 3.446 N/A THR 31.A OG1 ASP 29.A OD1 no hydrogen 2.872 N/A GLU 33.A N ARG 25.A O no hydrogen 2.969 N/A PHE 35.A N VAL 23.A O no hydrogen 2.765 N/A ALA 36.A N VAL 23.A O no hydrogen 3.119 N/A GLY 38.A N MET 21.A O no hydrogen 3.093 N/A LYS 39.A NZ ASN 18.A OD1.B no hydrogen 3.480 N/A THR 40.A N VAL 19.A O no hydrogen 2.922 N/A THR 40.A OG1 ALA 16.A O no hydrogen 2.713 N/A SER 41.A N GLU 45.A O no hydrogen 2.843 N/A SER 41.A OG GLU 45.A O no hydrogen 3.208 N/A SER 43.A N SER 41.A OG no hydrogen 3.197 N/A SER 43.A OG.A SER 41.A OG no hydrogen 2.815 N/A GLY 44.A N SER 41.A O no hydrogen 2.852 N/A LEU 46.A N VAL 5.A O no hydrogen 2.839 N/A HIS 47.A NE2 GLU 45.A OE1 no hydrogen 2.934 N/A THR 50.A OG1 THR 51.A O no hydrogen 3.377 N/A THR 50.A OG1 GLU 54.A OE2 no hydrogen 2.791 N/A THR 51.A N THR 50.A OG1 no hydrogen 2.703 N/A GLU 54.A N THR 51.A OG1 no hydrogen 3.240 N/A PHE 55.A N THR 51.A O no hydrogen 2.937 N/A VAL 56.A N GLU 54.A O no hydrogen 2.853 N/A GLY 58.A N ALA 88.A O no hydrogen 3.332 N/A TYR 60.A N PHE 86.A O no hydrogen 2.727 N/A TYR 60.A OH VAL 56.A O no hydrogen 2.644 N/A LYS 61.A N PHE 24.A O no hydrogen 2.857 N/A LYS 61.A NZ GLU 63.A OE1 no hydrogen 2.843 N/A VAL 62.A N VAL 84.A O no hydrogen 2.788 N/A GLU 63.A N HIS 22.A O no hydrogen 2.799 N/A ILE 64.A N ALA 82.A O no hydrogen 2.740 N/A ASP 65.A N ALA 20.A O no hydrogen 2.807 N/A THR 66.A N ILE 64.A O no hydrogen 2.830 N/A LYS 67.A NZ GLU 80.A OE1 no hydrogen 3.497 N/A LYS 67.A NZ GLU 80.A OE2 no hydrogen 2.803 N/A SER 68.A N ASP 65.A OD1 no hydrogen 3.215 N/A SER 68.A OG ASP 65.A OD1 no hydrogen 3.341 N/A SER 68.A OG ASP 65.A OD2 no hydrogen 2.643 N/A TYR 69.A OH ASP 9.A OD2 no hydrogen 2.525 N/A TRP 70.A N THR 66.A O no hydrogen 3.086 N/A LYS 71.A N LYS 67.A O no hydrogen 2.887 N/A LYS 71.A NZ.C SER 76.A OG no hydrogen 3.026 N/A ALA 72.A N SER 68.A O no hydrogen 3.005 N/A LEU 73.A N TRP 70.A O no hydrogen 2.879 N/A GLY 74.A N LYS 71.A O no hydrogen 2.977 N/A ILE 75.A N TRP 70.A O no hydrogen 2.927 N/A PHE 78.A N PRO 104.A O no hydrogen 2.822 N/A HIS 81.A NE2 GLU 83.A OE2.C no hydrogen 2.836 N/A ALA 82.A N ILE 64.A O no hydrogen 3.004 N/A GLU 83.A N.A GLU 83.A OE1.A no hydrogen 2.669 N/A GLU 83.A N.A TYR 107.A OH.A no hydrogen 3.346 N/A GLU 83.A N.C TYR 107.A OH.A no hydrogen 3.437 N/A VAL 84.A N VAL 62.A O no hydrogen 2.918 N/A PHE 86.A N TYR 60.A O no hydrogen 2.888 N/A ALA 88.A N GLY 58.A O no hydrogen 2.793 N/A ASN 89.A N TYR 96.A OH no hydrogen 2.791 N/A ASN 89.A ND2 VAL 56.A O no hydrogen 3.545 N/A SER 91.A OG ASP 90.A OD1.A no hydrogen 3.334 N/A GLY 92.A N ASN 89.A O no hydrogen 3.163 N/A ARG 94.A N ASN 89.A OD1 no hydrogen 2.986 N/A ARG 94.A NH1 SER 91.A O no hydrogen 3.337 N/A ARG 94.A NH1 PRO 93.A O no hydrogen 3.169 N/A ARG 94.A NH2 SER 91.A O no hydrogen 3.430 N/A ARG 95.A N.A THR 114.A O no hydrogen 2.888 N/A ARG 95.A N.B THR 114.A O no hydrogen 2.922 N/A ARG 95.A NH2.B TYR 96.A O no hydrogen 3.200 N/A TYR 96.A N PRO 2.A O no hydrogen 2.703 N/A THR 97.A N VAL 112.A O no hydrogen 2.971 N/A ILE 98.A N MET 4.A O no hydrogen 2.883 N/A ALA 99.A N THR 110.A O no hydrogen 2.851 N/A ALA 100.A N LYS 6.A O no hydrogen 2.747 N/A LEU 101.A N SER 108.A O no hydrogen 2.885 N/A LEU 102.A N LEU 8.A O no hydrogen 2.862 N/A SER 103.A N SER 106.A O no hydrogen 2.736 N/A SER 106.A N SER 103.A O no hydrogen 3.265 N/A TYR 107.A OH.A GLU 83.A O.C no hydrogen 3.280 N/A TYR 107.A OH.A GLU 83.A OE1.A no hydrogen 1.948 N/A TYR 107.A OH.B GLU 83.A OE1.A no hydrogen 2.204 N/A TYR 107.A OH.B GLU 83.A OE2.A no hydrogen 3.166 N/A SER 108.A N LEU 101.A O no hydrogen 3.015 N/A THR 109.A OG1.B ALA 99.A O no hydrogen 3.541 N/A THR 110.A N ALA 99.A O no hydrogen 2.943 N/A VAL 112.A N THR 97.A O no hydrogen 2.887 N/A THR 114.A N ARG 95.A O.A no hydrogen 3.059 N/A THR 114.A N ARG 95.A O.B no hydrogen 3.012 N/A