Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4twi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N ASP 1.A O no hydrogen 2.552 N/A LYS 6.A N GLU 2.A O no hydrogen 2.853 N/A THR 7.A N LYS 3.A O no hydrogen 2.963 N/A THR 7.A OG1 LYS 3.A O no hydrogen 2.736 N/A ILE 8.A N LEU 4.A O no hydrogen 3.158 N/A ALA 9.A N LEU 5.A O no hydrogen 2.799 N/A GLU 10.A N LYS 6.A O no hydrogen 2.856 N/A SER 11.A N ILE 8.A O no hydrogen 3.257 N/A SER 11.A OG ILE 8.A O no hydrogen 2.722 N/A LYS 12.A N ASP 178.A OD2 no hydrogen 2.884 N/A LYS 12.A NZ GLU 10.A O no hydrogen 3.542 N/A TYR 13.A N ASP 178.A OD1 no hydrogen 3.040 N/A TYR 13.A OH GLU 173.A OE1 no hydrogen 2.583 N/A VAL 15.A N VAL 179.A O no hydrogen 3.036 N/A ALA 16.A N CYS 93.A O no hydrogen 3.155 N/A LEU 17.A N ILE 181.A O no hydrogen 2.852 N/A THR 18.A N ILE 95.A O no hydrogen 2.920 N/A THR 18.A OG1 THR 96.A OG1 no hydrogen 2.728 N/A THR 18.A OG1 HIS 103.A NE2 no hydrogen 2.839 N/A GLY 19.A N ALA 183.A O no hydrogen 3.027 N/A GLY 21.A N GLY 184.A O no hydrogen 2.769 N/A VAL 22.A N GLY 19.A O no hydrogen 3.178 N/A SER 23.A N ALA 20.A O no hydrogen 3.067 N/A SER 23.A OG HIS 79.A NE2 no hydrogen 2.993 N/A SER 23.A OG ASP 100.A OD2 no hydrogen 2.788 N/A SER 26.A N SER 23.A O no hydrogen 2.953 N/A SER 26.A OG GLN 74.A O no hydrogen 2.662 N/A GLY 27.A N ALA 24.A O no hydrogen 2.868 N/A ILE 28.A N SER 23.A O no hydrogen 3.455 N/A ARG 32.A NH2 GLY 184.A O no hydrogen 2.958 N/A GLY 36.A N ASN 39.A OD1 no hydrogen 2.791 N/A LEU 37.A N ASP 35.A OD1 no hydrogen 2.856 N/A TRP 38.A N ASP 35.A OD1 no hydrogen 2.800 N/A ASN 39.A N ASP 35.A OD1 no hydrogen 2.927 N/A ARG 40.A N ASP 35.A OD2 no hydrogen 2.811 N/A TYR 41.A N ASP 35.A OD2 no hydrogen 2.876 N/A ARG 42.A N GLU 45.A OE1 no hydrogen 2.736 N/A ARG 42.A NE GLU 44.A OE2 no hydrogen 3.441 N/A ARG 42.A NH1 ARG 32.A O no hydrogen 2.751 N/A ARG 42.A NH2 ARG 32.A O no hydrogen 3.270 N/A GLU 44.A N GLU 44.A OE1 no hydrogen 2.764 N/A GLU 45.A N ARG 42.A O no hydrogen 2.894 N/A LEU 46.A N PRO 43.A O no hydrogen 3.046 N/A ALA 47.A N PRO 43.A O no hydrogen 2.870 N/A ASN 48.A ND2 GLU 44.A O no hydrogen 2.751 N/A ALA 51.A N ASN 48.A OD1 no hydrogen 2.812 N/A PHE 52.A N ASN 48.A O no hydrogen 3.267 N/A ALA 53.A N PRO 49.A O no hydrogen 3.002 N/A LYS 54.A N GLN 50.A O no hydrogen 2.991 N/A ASP 55.A N ALA 51.A O no hydrogen 2.921 N/A LYS 58.A N ASP 55.A OD1 no hydrogen 3.073 N/A LYS 58.A NZ TYR 41.A OH no hydrogen 2.907 N/A VAL 59.A N ASP 55.A O no hydrogen 3.222 N/A TRP 60.A N PRO 56.A O no hydrogen 2.821 N/A TRP 60.A NE1 LEU 151.A O no hydrogen 2.767 N/A LYS 61.A N GLU 57.A O no hydrogen 2.855 N/A LYS 61.A NZ GLU 57.A OE2 no hydrogen 3.215 N/A TRP 62.A N LYS 58.A O no hydrogen 3.155 N/A TRP 62.A NE1 ASP 35.A O no hydrogen 2.791 N/A TYR 63.A N VAL 59.A O no hydrogen 2.997 N/A ALA 64.A N TRP 60.A O no hydrogen 2.756 N/A TRP 65.A N LYS 61.A O no hydrogen 3.065 N/A ARG 66.A N TRP 62.A O no hydrogen 2.894 N/A MET 67.A N TYR 63.A O no hydrogen 2.768 N/A GLU 68.A N ALA 64.A O no hydrogen 2.993 N/A LYS 69.A N TRP 65.A O no hydrogen 3.032 N/A LYS 69.A NZ GLU 68.A OE2 no hydrogen 3.117 N/A VAL 70.A N ARG 66.A O no hydrogen 3.085 N/A PHE 71.A N MET 67.A O no hydrogen 2.801 N/A ASN 72.A N GLU 68.A O no hydrogen 2.991 N/A ALA 73.A N VAL 70.A O no hydrogen 3.071 N/A ASN 76.A N HIS 79.A ND1 no hydrogen 3.261 N/A ASN 76.A ND2 VAL 22.A O no hydrogen 2.843 N/A ASN 76.A ND2 SER 26.A OG no hydrogen 2.987 N/A LYS 77.A NZ GLU 230.A OE2 no hydrogen 2.796 N/A ALA 78.A N ASN 76.A OD1 no hydrogen 2.723 N/A HIS 79.A N ASN 76.A OD1 no hydrogen 3.418 N/A HIS 79.A NE2 SER 23.A OG no hydrogen 2.993 N/A GLN 80.A N ASN 76.A O no hydrogen 3.046 N/A ALA 81.A N LYS 77.A O no hydrogen 2.945 N/A PHE 82.A N ALA 78.A O no hydrogen 3.028 N/A ALA 83.A N HIS 79.A O no hydrogen 3.054 N/A GLU 84.A N GLN 80.A O no hydrogen 2.857 N/A LEU 85.A N ALA 81.A O no hydrogen 2.949 N/A GLU 86.A N PHE 82.A O no hydrogen 3.181 N/A ARG 87.A N ALA 83.A O no hydrogen 2.849 N/A ARG 87.A NE GLU 84.A OE1 no hydrogen 2.761 N/A ARG 87.A NH2 GLU 84.A OE1 no hydrogen 3.535 N/A ARG 87.A NH2 GLU 84.A OE2 no hydrogen 2.923 N/A LEU 88.A N GLU 84.A O no hydrogen 2.862 N/A GLY 89.A N GLU 86.A O no hydrogen 2.951 N/A VAL 90.A N LEU 85.A O no hydrogen 3.071 N/A LEU 91.A N LEU 85.A O no hydrogen 2.994 N/A LYS 92.A N LEU 14.A O no hydrogen 2.869 N/A LYS 92.A NZ GLY 89.A O no hydrogen 3.232 N/A CYS 93.A SG ASN 110.A O no hydrogen 3.773 N/A LEU 94.A N.A ASN 110.A O no hydrogen 2.929 N/A LEU 94.A N.B ASN 110.A O no hydrogen 2.930 N/A ILE 95.A N ALA 16.A O no hydrogen 2.779 N/A THR 96.A N ILE 112.A O no hydrogen 2.812 N/A THR 96.A OG1 THR 18.A O no hydrogen 3.391 N/A THR 96.A OG1 THR 18.A OG1 no hydrogen 2.728 N/A GLN 97.A N THR 18.A O no hydrogen 2.861 N/A GLN 97.A NE2 THR 185.A OG1 no hydrogen 3.071 N/A ASN 98.A N THR 96.A OG1 no hydrogen 3.012 N/A ASN 98.A ND2 GLY 19.A O no hydrogen 3.055 N/A LEU 102.A N ASP 100.A OD1 no hydrogen 2.954 N/A HIS 103.A NE2 THR 18.A OG1 no hydrogen 2.839 N/A GLU 104.A N.A GLU 104.A OE1.A no hydrogen 2.762 N/A GLU 104.A N.B GLU 104.A OE1.B no hydrogen 2.636 N/A ARG 105.A N ASP 101.A O no hydrogen 2.909 N/A ARG 105.A NE ASP 101.A OD2 no hydrogen 3.247 N/A ARG 105.A NH1 ALA 73.A O no hydrogen 2.789 N/A ARG 105.A NH2 VAL 70.A O no hydrogen 2.930 N/A ARG 105.A NH2 ALA 73.A O no hydrogen 3.540 N/A ARG 105.A NH2 ASP 101.A OD1 no hydrogen 2.997 N/A ALA 106.A N LEU 102.A O no hydrogen 3.048 N/A GLY 107.A N GLU 104.A O.A no hydrogen 2.883 N/A GLY 107.A N GLU 104.A O.B no hydrogen 2.816 N/A SER 108.A N HIS 103.A O no hydrogen 2.987 N/A SER 108.A OG HIS 103.A O no hydrogen 3.318 N/A ARG 109.A N GLU 86.A OE1 no hydrogen 2.772 N/A ASN 110.A N GLU 86.A OE2 no hydrogen 2.873 N/A ASN 110.A ND2 LYS 92.A O no hydrogen 3.053 N/A ILE 112.A N LEU 94.A O.A no hydrogen 2.784 N/A ILE 112.A N LEU 94.A O.B no hydrogen 2.842 N/A HIS 113.A ND1 ASN 98.A O no hydrogen 2.970 N/A HIS 113.A NE2 GLU 104.A OE2.A no hydrogen 2.527 N/A HIS 113.A NE2 GLU 104.A OE2.B no hydrogen 3.093 N/A LEU 114.A N THR 96.A O no hydrogen 2.985 N/A HIS 115.A ND1 GLN 97.A O no hydrogen 3.149 N/A GLY 116.A N HIS 113.A O no hydrogen 3.395 N/A SER 117.A N GLY 154.A O no hydrogen 2.941 N/A LEU 118.A N VAL 99.A O no hydrogen 2.826 N/A ARG 119.A N SER 117.A OG no hydrogen 2.983 N/A ARG 119.A NE ASP 101.A OD2 no hydrogen 2.736 N/A ARG 119.A NH1 VAL 132.A O no hydrogen 3.013 N/A ARG 119.A NH1 GLU 133.A O no hydrogen 2.961 N/A ARG 119.A NH2 ASP 101.A OD2 no hydrogen 3.166 N/A VAL 120.A N SER 117.A O no hydrogen 3.176 N/A VAL 121.A N PHE 130.A O no hydrogen 2.825 N/A ARG 122.A N ARG 152.A O no hydrogen 2.967 N/A ARG 122.A NH1 CYS 123.A O no hydrogen 3.357 N/A CYS 123.A N ASN 128.A O no hydrogen 2.922 N/A THR 124.A N LEU 150.A O no hydrogen 3.048 N/A THR 124.A OG1 LEU 150.A O no hydrogen 2.617 N/A PHE 130.A N VAL 121.A O no hydrogen 2.974 N/A VAL 132.A N ARG 119.A O no hydrogen 2.814 N/A CYS 144.A N SER 149.A O no hydrogen 2.717 N/A LYS 146.A NZ ASN 128.A OD1 no hydrogen 3.518 N/A CYS 147.A SG SER 149.A OG no hydrogen 3.296 N/A GLY 148.A N CYS 144.A O no hydrogen 2.837 N/A LEU 151.A N PRO 142.A O no hydrogen 2.968 N/A ARG 152.A N ARG 122.A O no hydrogen 2.820 N/A ARG 152.A NE PRO 153.A O no hydrogen 3.193 N/A ARG 152.A NH1 GLU 160.A OE2 no hydrogen 2.761 N/A ARG 152.A NH2 VAL 155.A O no hydrogen 2.742 N/A ARG 152.A NH2 GLU 160.A OE1 no hydrogen 3.115 N/A ARG 152.A NH2 GLU 160.A OE2 no hydrogen 3.474 N/A GLY 154.A N VAL 120.A O no hydrogen 2.718 N/A VAL 156.A N HIS 115.A O no hydrogen 2.793 N/A TRP 157.A N GLU 160.A OE1 no hydrogen 2.835 N/A PHE 158.A N ALA 47.A O no hydrogen 2.906 N/A GLU 160.A N TRP 157.A O no hydrogen 3.006 N/A LEU 167.A N PRO 163.A O no hydrogen 3.055 N/A ASP 168.A N PRO 164.A O no hydrogen 2.931 N/A ARG 169.A N ASP 165.A O no hydrogen 3.009 N/A ALA 170.A N VAL 166.A O no hydrogen 3.092 N/A MET 171.A N LEU 167.A O no hydrogen 2.908 N/A ARG 172.A N ASP 168.A O no hydrogen 2.991 N/A ARG 172.A NE ASP 168.A OD2 no hydrogen 3.077 N/A GLU 173.A N ARG 169.A O no hydrogen 3.086 N/A VAL 174.A N ALA 170.A O no hydrogen 3.107 N/A GLU 175.A N MET 171.A O no hydrogen 2.891 N/A ARG 176.A N ARG 172.A O no hydrogen 3.257 N/A ARG 176.A N GLU 173.A O no hydrogen 3.170 N/A ALA 177.A N VAL 174.A O no hydrogen 3.371 N/A ASP 178.A N TYR 13.A O no hydrogen 3.267 N/A ILE 180.A N ALA 205.A O no hydrogen 2.917 N/A ILE 181.A N VAL 15.A O no hydrogen 2.991 N/A VAL 182.A N ILE 207.A O no hydrogen 2.815 N/A ALA 183.A N LEU 17.A O no hydrogen 2.879 N/A GLY 184.A N ILE 209.A O no hydrogen 2.889 N/A THR 185.A OG1 GLN 97.A OE1 no hydrogen 3.318 N/A ALA 187.A N THR 185.A OG1 no hydrogen 3.334 N/A ALA 193.A N VAL 189.A O no hydrogen 2.849 N/A SER 194.A N.A PRO 191.A O no hydrogen 3.056 N/A SER 194.A N.B PRO 191.A O no hydrogen 3.042 N/A SER 194.A OG.A GLN 190.A OE1 no hydrogen 2.655 N/A SER 194.A OG.B PRO 191.A O no hydrogen 2.716 N/A LEU 195.A N ALA 192.A O no hydrogen 3.093 N/A LEU 197.A N SER 194.A O.B no hydrogen 3.234 N/A ILE 198.A N LEU 195.A O no hydrogen 3.168 N/A LYS 200.A N PRO 196.A O no hydrogen 3.295 N/A LYS 200.A NZ GLY 204.A O no hydrogen 3.062 N/A LYS 200.A NZ ASP 221.A OD1 no hydrogen 2.767 N/A LYS 200.A NZ ASP 221.A OD2 no hydrogen 3.201 N/A GLN 201.A N LEU 197.A O no hydrogen 2.756 N/A ARG 202.A N ILE 198.A O no hydrogen 3.147 N/A GLY 203.A N LYS 200.A O no hydrogen 2.867 N/A GLY 204.A N VAL 199.A O no hydrogen 2.700 N/A ALA 205.A N ASP 178.A O no hydrogen 2.826 N/A ILE 206.A N ASP 221.A OD1 no hydrogen 2.789 N/A ILE 207.A N ILE 180.A O no hydrogen 2.870 N/A GLU 208.A N TYR 222.A O no hydrogen 2.769 N/A ILE 209.A N VAL 182.A O no hydrogen 2.769 N/A ASN 210.A N LEU 224.A O no hydrogen 3.044 N/A ASN 210.A ND2 ASP 212.A O no hydrogen 2.855 N/A THR 214.A N THR 217.A OG1 no hydrogen 2.806 N/A THR 214.A OG1 GLU 208.A OE2 no hydrogen 2.540 N/A LEU 216.A N THR 214.A OG1 no hydrogen 2.994 N/A THR 217.A N THR 214.A O no hydrogen 3.120 N/A THR 217.A OG1 GLU 208.A OE1 no hydrogen 2.687 N/A THR 217.A OG1 GLU 208.A OE2 no hydrogen 3.470 N/A THR 217.A OG1 THR 214.A O no hydrogen 3.225 N/A ILE 219.A N LEU 216.A O no hydrogen 3.071 N/A ALA 220.A N THR 217.A O no hydrogen 3.079 N/A TYR 222.A N ILE 206.A O no hydrogen 3.287 N/A SER 223.A OG GLU 208.A OE1 no hydrogen 2.627 N/A LEU 224.A N GLU 208.A O no hydrogen 2.720 N/A ARG 225.A NH1 ASN 210.A O no hydrogen 2.964 N/A ARG 225.A NH1 SER 223.A OG no hydrogen 3.006 N/A ARG 225.A NH2 SER 223.A OG no hydrogen 3.044 N/A GLY 229.A N GLU 25.A OE2 no hydrogen 2.980 N/A VAL 231.A N LYS 227.A O no hydrogen 2.916 N/A MET 232.A N ALA 228.A O no hydrogen 2.929 N/A ASP 233.A N GLY 229.A O no hydrogen 2.851 N/A GLU 234.A N GLU 230.A O no hydrogen 3.018 N/A LEU 235.A N VAL 231.A O no hydrogen 2.857 N/A VAL 236.A N MET 232.A O no hydrogen 2.982 N/A ARG 237.A N ASP 233.A O no hydrogen 3.122 N/A ARG 237.A NE ASP 233.A OD2 no hydrogen 2.930 N/A HIS 238.A N GLU 234.A O no hydrogen 3.140 N/A HIS 238.A ND1 GLU 234.A O no hydrogen 2.911 N/A VAL 239.A N LEU 235.A O no hydrogen 2.937 N/A ARG 240.A N VAL 236.A O no hydrogen 2.848 N/A ARG 240.A NH1 GLU 84.A OE2 no hydrogen 2.868 N/A LYS 241.A N ARG 237.A O no hydrogen 3.220 N/A ALA 242.A N HIS 238.A O no hydrogen 2.874 N/A LEU 243.A N VAL 239.A O no hydrogen 3.065 N/A SER 244.A N LYS 241.A O no hydrogen 3.118 N/A SER 244.A OG LYS 241.A O no hydrogen 2.694 N/A