Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ws3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N LEU 102.A O no hydrogen 2.944 N/A SER 3.A N ASP 28.A OD1 no hydrogen 2.910 N/A MET 4.A N CYS 100.A O no hydrogen 2.946 N/A ARG 5.A N TYR 26.A O no hydrogen 2.924 N/A ARG 5.A NH1 MET 4.A O no hydrogen 2.927 N/A ARG 5.A NH1 CYS 100.A O no hydrogen 3.134 N/A TYR 6.A N SER 98.A O no hydrogen 2.881 N/A PHE 7.A N VAL 24.A O no hydrogen 2.853 N/A GLU 8.A N GLN 96.A O no hydrogen 2.869 N/A THR 9.A N ILE 22.A O no hydrogen 2.862 N/A ALA 10.A N LEU 94.A O no hydrogen 2.833 N/A VAL 11.A N ARG 20.A O no hydrogen 2.901 N/A SER 12.A N HIS 92.A O no hydrogen 2.785 N/A SER 12.A OG HIS 92.A O no hydrogen 3.381 N/A LEU 16.A N PRO 14.A O no hydrogen 2.856 N/A ARG 20.A N VAL 11.A O no hydrogen 2.921 N/A ARG 20.A NE ASP 36.A OD1 no hydrogen 2.809 N/A ARG 20.A NH2 ASP 36.A OD1 no hydrogen 3.150 N/A ARG 20.A NH2 ASP 36.A OD2 no hydrogen 2.401 N/A TYR 21.A OH GLU 8.A OE2 no hydrogen 2.305 N/A ILE 22.A N THR 9.A O no hydrogen 2.869 N/A SER 23.A N PHE 35.A O no hydrogen 2.883 N/A SER 23.A OG TYR 21.A OH no hydrogen 3.375 N/A SER 23.A OG TYR 44.A OH no hydrogen 2.772 N/A VAL 24.A N PHE 7.A O no hydrogen 2.910 N/A GLY 25.A N VAL 33.A O no hydrogen 2.814 N/A TYR 26.A N ARG 5.A O no hydrogen 2.746 N/A VAL 27.A N LYS 30.A O no hydrogen 2.866 N/A ASP 28.A N SER 3.A O no hydrogen 2.751 N/A LYS 30.A N VAL 27.A O no hydrogen 2.937 N/A LYS 30.A NZ TYR 203.A OH no hydrogen 3.041 N/A PHE 32.A N GLY 25.A O no hydrogen 2.798 N/A VAL 33.A N GLY 25.A O no hydrogen 3.376 N/A ARG 34.A N GLU 45.A O no hydrogen 3.254 N/A ARG 34.A NE GLU 31.A OE2 no hydrogen 2.625 N/A ARG 34.A NH2 GLU 31.A OE1 no hydrogen 3.313 N/A ARG 34.A NH2 GLU 31.A OE2 no hydrogen 3.114 N/A PHE 35.A N SER 23.A O no hydrogen 2.715 N/A SER 37.A N TYR 21.A O no hydrogen 2.953 N/A SER 37.A OG GLU 70.A OE2 no hydrogen 3.130 N/A ASP 38.A N ASP 36.A OD1 no hydrogen 2.959 N/A ALA 39.A N ASP 36.A O no hydrogen 2.967 N/A TYR 44.A N THR 63.A OG1 no hydrogen 3.240 N/A TYR 44.A OH SER 23.A OG no hydrogen 2.772 N/A GLU 45.A N ARG 34.A O no hydrogen 3.223 N/A ARG 47.A N PHE 32.A O no hydrogen 2.748 N/A ARG 47.A NE GLU 31.A OE2 no hydrogen 2.808 N/A ARG 47.A NH2 GLU 31.A OE2 no hydrogen 2.852 N/A MET 51.A N ALA 48.A O no hydrogen 3.071 N/A GLU 52.A N PRO 49.A O no hydrogen 2.972 N/A GLN 53.A NE2 ASN 173.A O no hydrogen 3.486 N/A GLU 54.A N MET 51.A O no hydrogen 3.187 N/A TYR 58.A N GLY 55.A O no hydrogen 2.787 N/A TYR 58.A OH TYR 170.A OH no hydrogen 2.287 N/A TRP 59.A NE1 GLU 54.A O no hydrogen 3.139 N/A GLU 60.A N PRO 56.A O no hydrogen 2.944 N/A ARG 61.A N GLU 57.A O.A no hydrogen 2.942 N/A ARG 61.A N GLU 57.A O.B no hydrogen 2.927 N/A ARG 61.A NE GLU 62.A OE2 no hydrogen 3.163 N/A GLU 62.A N TYR 58.A O no hydrogen 2.915 N/A THR 63.A N TRP 59.A O no hydrogen 2.916 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.559 N/A GLN 64.A N GLU 60.A O no hydrogen 2.928 N/A LYS 65.A N ARG 61.A O no hydrogen 2.954 N/A LYS 65.A NZ GLU 62.A OE1 no hydrogen 3.411 N/A LYS 65.A NZ GLU 62.A OE2 no hydrogen 2.627 N/A ALA 66.A N GLU 62.A O no hydrogen 2.854 N/A LYS 67.A N THR 63.A O no hydrogen 2.972 N/A GLY 68.A N GLN 64.A O no hydrogen 2.951 N/A GLN 69.A N LYS 65.A O no hydrogen 2.938 N/A GLN 69.A NE2 GLU 8.A OE1 no hydrogen 3.043 N/A GLN 69.A NE2 GLU 8.A OE2 no hydrogen 3.312 N/A GLU 70.A N ALA 66.A O no hydrogen 2.861 N/A GLN 71.A N LYS 67.A O no hydrogen 2.993 N/A TRP 72.A N GLY 68.A O no hydrogen 2.966 N/A PHE 73.A N GLN 69.A O no hydrogen 2.820 N/A ARG 74.A N GLU 70.A O no hydrogen 2.932 N/A VAL 75.A N GLN 71.A O no hydrogen 2.960 N/A SER 76.A N TRP 72.A O no hydrogen 2.938 N/A SER 76.A OG TRP 72.A O no hydrogen 3.370 N/A LEU 77.A N PHE 73.A O no hydrogen 2.862 N/A ARG 78.A N ARG 74.A O no hydrogen 2.960 N/A ASN 79.A N VAL 75.A O no hydrogen 2.900 N/A LEU 80.A N SER 76.A O no hydrogen 2.900 N/A LEU 81.A N LEU 77.A O no hydrogen 2.977 N/A GLY 82.A N ASN 79.A O no hydrogen 2.739 N/A TYR 83.A N ASN 79.A O no hydrogen 2.925 N/A TYR 84.A N LEU 80.A O no hydrogen 2.930 N/A TYR 84.A OH ASP 136.A OD1 no hydrogen 2.975 N/A TYR 84.A OH ASP 136.A OD2 no hydrogen 2.616 N/A ASN 85.A N GLY 82.A O no hydrogen 3.157 N/A GLN 86.A N LEU 81.A O no hydrogen 2.865 N/A GLN 86.A NE2 TYR 117.A OH no hydrogen 2.374 N/A SER 91.A OG SER 12.A O no hydrogen 3.176 N/A HIS 92.A N SER 12.A OG no hydrogen 2.831 N/A HIS 92.A ND1 GLU 118.A OE2 no hydrogen 2.571 N/A THR 93.A N GLU 118.A OE1 no hydrogen 3.163 N/A LEU 94.A N ALA 10.A O no hydrogen 2.912 N/A GLN 95.A N ALA 116.A O no hydrogen 2.883 N/A GLN 96.A N GLU 8.A O no hydrogen 2.943 N/A MET 97.A N GLN 114.A O no hydrogen 2.849 N/A SER 98.A N TYR 6.A O no hydrogen 2.961 N/A GLY 99.A N TYR 112.A O no hydrogen 2.966 N/A CYS 100.A N MET 4.A O no hydrogen 2.930 N/A ASP 101.A N ARG 110.A O no hydrogen 2.786 N/A LEU 102.A N HIS 2.A O no hydrogen 2.848 N/A GLY 103.A N ARG 107.A O no hydrogen 2.877 N/A ARG 107.A N ASP 105.A O no hydrogen 2.634 N/A ARG 107.A N ASP 105.A OD1 no hydrogen 3.060 N/A LEU 109.A N ASP 101.A O no hydrogen 2.635 N/A ARG 110.A N ASP 101.A O no hydrogen 3.045 N/A ARG 110.A NH1 GLY 111.A O no hydrogen 3.272 N/A TYR 112.A N GLY 99.A O no hydrogen 2.824 N/A GLN 114.A N MET 97.A O no hydrogen 2.873 N/A PHE 115.A N ILE 123.A O no hydrogen 2.829 N/A ALA 116.A N GLN 95.A O no hydrogen 2.903 N/A TYR 117.A N ARG 120.A O no hydrogen 2.722 N/A GLU 118.A N THR 93.A O no hydrogen 2.812 N/A ARG 120.A N TYR 117.A O no hydrogen 2.864 N/A TYR 122.A N PHE 115.A O no hydrogen 2.792 N/A TYR 122.A OH THR 142.A OG1 no hydrogen 2.671 N/A ILE 123.A N PHE 115.A O no hydrogen 3.032 N/A ALA 124.A N THR 133.A O no hydrogen 2.990 N/A LEU 125.A N LEU 113.A O no hydrogen 2.940 N/A ASN 126.A N THR 131.A O no hydrogen 2.758 N/A ASN 126.A ND2 THR 133.A OG1 no hydrogen 2.675 N/A LEU 129.A N ASN 126.A O no hydrogen 2.687 N/A LYS 130.A N ASP 128.A OD1 no hydrogen 2.680 N/A LYS 130.A NZ ASP 128.A O no hydrogen 2.826 N/A THR 131.A N ASP 128.A OD1 no hydrogen 2.791 N/A THR 131.A OG1 ASN 126.A OD1 no hydrogen 3.378 N/A THR 131.A OG1 TRP 132.A O no hydrogen 3.411 N/A THR 131.A OG1 GLU 147.A OE2 no hydrogen 3.286 N/A THR 133.A N ALA 124.A O no hydrogen 2.910 N/A ALA 135.A N TYR 122.A O no hydrogen 2.934 N/A ALA 139.A N ASP 136.A OD1 no hydrogen 3.202 N/A GLN 140.A N MET 137.A O no hydrogen 2.746 N/A ILE 141.A N MET 137.A O no hydrogen 2.943 N/A THR 142.A N ALA 138.A O no hydrogen 2.999 N/A THR 142.A OG1 TYR 122.A OH no hydrogen 2.671 N/A THR 142.A OG1 ALA 138.A O no hydrogen 3.488 N/A ARG 143.A N ALA 139.A O no hydrogen 2.904 N/A ARG 144.A N GLN 140.A O no hydrogen 2.813 N/A LYS 145.A N ILE 141.A O no hydrogen 2.987 N/A TRP 146.A N THR 142.A O no hydrogen 2.921 N/A GLU 147.A N ARG 143.A O no hydrogen 2.867 N/A GLN 148.A N ARG 144.A O no hydrogen 2.965 N/A SER 149.A N LYS 145.A O no hydrogen 2.905 N/A SER 149.A OG TRP 146.A O no hydrogen 3.222 N/A ALA 151.A N TRP 146.A O no hydrogen 3.248 N/A GLU 153.A N GLY 150.A O no hydrogen 3.293 N/A TYR 155.A N ALA 151.A O no hydrogen 3.026 N/A LYS 156.A N ALA 152.A O no hydrogen 2.848 N/A LYS 156.A NZ GLU 160.A OE1 no hydrogen 2.873 N/A LYS 156.A NZ GLU 160.A OE2 no hydrogen 3.303 N/A ALA 157.A N GLU 153.A O no hydrogen 2.942 N/A TYR 158.A N HIS 154.A O no hydrogen 2.982 N/A LEU 159.A N TYR 155.A O no hydrogen 2.897 N/A GLU 160.A N LYS 156.A O no hydrogen 2.939 N/A GLY 161.A N ALA 157.A O no hydrogen 2.848 N/A CYS 163.A N TYR 158.A O no hydrogen 2.910 N/A GLU 165.A N GLY 161.A O no hydrogen 3.207 N/A TRP 166.A N GLU 162.A O no hydrogen 2.903 N/A LEU 167.A N CYS 163.A O no hydrogen 2.951 N/A HIS 168.A N VAL 164.A O no hydrogen 2.887 N/A HIS 168.A NE2 TRP 106.A O no hydrogen 2.857 N/A ARG 169.A N GLU 165.A O no hydrogen 2.963 N/A ARG 169.A NH1 GLU 165.A OE2 no hydrogen 2.776 N/A ARG 169.A NH2 GLU 165.A OE2 no hydrogen 3.390 N/A TYR 170.A N TRP 166.A O no hydrogen 2.895 N/A LEU 171.A N LEU 167.A O no hydrogen 2.890 N/A LYS 172.A N HIS 168.A O no hydrogen 2.938 N/A ASN 173.A N ARG 169.A O no hydrogen 2.918 N/A GLY 174.A N LEU 171.A O no hydrogen 2.844 N/A ASP 179.A N TYR 203.A O no hydrogen 2.713 N/A LYS 182.A N LEU 200.A O no hydrogen 2.956 N/A HIS 184.A N TRP 198.A O no hydrogen 2.977 N/A THR 186.A N ARG 196.A O no hydrogen 2.853 N/A THR 186.A OG1 HIS 188.A NE2 no hydrogen 2.776 N/A THR 186.A OG1 ARG 196.A O no hydrogen 3.502 N/A HIS 188.A N THR 194.A O no hydrogen 2.838 N/A HIS 188.A NE2 THR 186.A OG1 no hydrogen 2.776 N/A SER 191.A N GLU 192.A O no hydrogen 3.106 N/A SER 191.A OG SER 191.A O no hydrogen 2.401 N/A VAL 193.A N VAL 241.A O no hydrogen 2.806 N/A THR 194.A N HIS 188.A O no hydrogen 2.818 N/A THR 194.A OG1 HIS 188.A O no hydrogen 3.328 N/A LEU 195.A N VAL 239.A O no hydrogen 2.866 N/A ARG 196.A N THR 186.A O no hydrogen 2.919 N/A CYS 197.A N ALA 237.A O no hydrogen 2.835 N/A TRP 198.A N HIS 184.A O no hydrogen 2.823 N/A TRP 198.A NE1 THR 186.A OG1 no hydrogen 3.097 N/A ALA 199.A N LYS 235.A O no hydrogen 2.887 N/A LEU 200.A N LYS 182.A O no hydrogen 2.856 N/A PHE 202.A N PHE 233.A O no hydrogen 3.363 N/A TYR 203.A N ASP 179.A O no hydrogen 2.937 N/A THR 208.A N TYR 254.A O no hydrogen 2.986 N/A THR 210.A N ARG 252.A O no hydrogen 2.960 N/A TRP 211.A NE1 ALA 237.A O no hydrogen 2.676 N/A LEU 216.A N TRP 211.A O no hydrogen 2.934 N/A GLU 221.A N SER 238.A O no hydrogen 2.888 N/A VAL 223.A N TRP 236.A O no hydrogen 3.334 N/A ARG 226.A N GLN 234.A O no hydrogen 2.931 N/A ARG 226.A NE GLN 234.A OE1 no hydrogen 3.067 N/A ARG 226.A NH2 GLN 234.A OE1 no hydrogen 3.325 N/A ALA 228.A N THR 232.A O no hydrogen 3.064 N/A THR 232.A N ASP 230.A OD1 no hydrogen 2.838 N/A THR 232.A OG1 ASP 230.A OD1 no hydrogen 2.471 N/A THR 232.A OG1 ASP 230.A OD2 no hydrogen 3.278 N/A PHE 233.A N PHE 202.A O no hydrogen 2.760 N/A GLN 234.A N ARG 226.A O no hydrogen 2.541 N/A LYS 235.A N ALA 199.A O no hydrogen 2.963 N/A LYS 235.A NZ VAL 223.A O no hydrogen 2.588 N/A LYS 235.A NZ THR 225.A OG1 no hydrogen 3.337 N/A ALA 237.A N CYS 197.A O no hydrogen 2.879 N/A SER 238.A N GLU 221.A O no hydrogen 2.446 N/A VAL 239.A N LEU 195.A O no hydrogen 2.861 N/A VAL 241.A N VAL 193.A O no hydrogen 2.921 N/A GLU 246.A N GLU 246.A OE1 no hydrogen 2.744 N/A THR 250.A N GLN 212.A O no hydrogen 2.958 N/A THR 250.A OG1 GLN 212.A O no hydrogen 3.445 N/A THR 250.A OG1 GLN 212.A OE1 no hydrogen 3.364 N/A CYS 251.A N LEU 264.A O no hydrogen 3.075 N/A CYS 251.A SG THR 210.A O no hydrogen 3.985 N/A ARG 252.A N THR 210.A O no hydrogen 2.859 N/A ARG 252.A NH1 TRP 211.A O no hydrogen 3.520 N/A VAL 253.A N LEU 262.A O no hydrogen 2.976 N/A TYR 254.A N THR 208.A O no hydrogen 2.803 N/A HIS 255.A NE2 PRO 204.A O no hydrogen 3.132 N/A GLY 257.A N HIS 255.A ND1 no hydrogen 3.213 N/A LEU 258.A N HIS 255.A O no hydrogen 2.829 N/A LEU 262.A N VAL 253.A O no hydrogen 3.014 N/A LEU 264.A N CYS 251.A O no hydrogen 2.791 N/A