Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kba_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 8.A N PRO 4.A O no hydrogen 3.074 N/A LEU 9.A N PRO 5.A O no hydrogen 3.000 N/A LEU 10.A N LEU 6.A O no hydrogen 2.950 N/A MET 11.A N ILE 7.A O no hydrogen 2.942 N/A SER 12.A N ASN 8.A O no hydrogen 3.142 N/A SER 12.A OG LEU 9.A O no hydrogen 2.673 N/A ILE 13.A N LEU 9.A O no hydrogen 3.029 N/A GLU 14.A N MET 11.A O no hydrogen 3.395 N/A ALA 20.A N ASP 95.A OD1 no hydrogen 2.790 N/A GLY 21.A N ASP 95.A OD2 no hydrogen 2.770 N/A HIS 22.A N ASP 95.A OD2 no hydrogen 3.092 N/A HIS 22.A ND1 SER 31.A OG no hydrogen 2.765 N/A THR 24.A N SER 27.A OG no hydrogen 2.888 N/A THR 24.A OG1 SER 26.A OG no hydrogen 3.384 N/A SER 26.A OG THR 24.A OG1 no hydrogen 3.384 N/A SER 27.A OG THR 24.A O no hydrogen 3.054 N/A LEU 28.A N THR 24.A O no hydrogen 2.919 N/A LEU 29.A N SER 25.A O no hydrogen 2.840 N/A THR 30.A N SER 26.A O no hydrogen 2.824 N/A THR 30.A OG1 SER 26.A O no hydrogen 2.673 N/A SER 31.A N SER 27.A O no hydrogen 2.893 N/A SER 31.A OG HIS 22.A ND1 no hydrogen 2.765 N/A SER 31.A OG SER 27.A O no hydrogen 2.975 N/A LEU 32.A N LEU 28.A O no hydrogen 2.934 N/A ASN 33.A N LEU 29.A O no hydrogen 2.862 N/A ASN 33.A ND2 GLU 215.A O.A no hydrogen 2.809 N/A ASN 33.A ND2 GLU 215.A O.B no hydrogen 2.949 N/A GLN 34.A N THR 30.A O no hydrogen 2.875 N/A LEU 35.A N SER 31.A O no hydrogen 2.902 N/A GLY 36.A N LEU 32.A O no hydrogen 2.847 N/A GLU 37.A N ASN 33.A O no hydrogen 2.975 N/A ARG 38.A N GLN 34.A O no hydrogen 3.371 N/A ARG 38.A NE GLN 34.A OE1 no hydrogen 3.126 N/A ARG 38.A NH1 TYR 19.A O no hydrogen 2.942 N/A GLN 39.A N LEU 35.A O no hydrogen 2.799 N/A LEU 40.A N GLY 36.A O no hydrogen 2.972 N/A LEU 41.A N GLU 37.A O no hydrogen 3.168 N/A SER 42.A N.A ARG 38.A O no hydrogen 3.040 N/A SER 42.A N.B ARG 38.A O no hydrogen 3.026 N/A SER 42.A OG.A GLN 39.A O no hydrogen 2.724 N/A VAL 43.A N GLN 39.A O no hydrogen 2.924 N/A VAL 44.A N LEU 40.A O no hydrogen 3.104 N/A LYS 45.A N LEU 41.A O no hydrogen 3.086 N/A TRP 46.A N SER 42.A O.A no hydrogen 2.845 N/A TRP 46.A N SER 42.A O.B no hydrogen 2.850 N/A SER 47.A N VAL 43.A O no hydrogen 2.855 N/A SER 47.A OG VAL 44.A O no hydrogen 2.650 N/A LYS 48.A N VAL 44.A O no hydrogen 3.296 N/A LYS 48.A N LYS 45.A O no hydrogen 3.137 N/A SER 49.A N TRP 46.A O no hydrogen 3.110 N/A LEU 50.A N SER 47.A O no hydrogen 3.358 N/A PHE 53.A N LEU 50.A O no hydrogen 3.121 N/A ASN 55.A N GLY 52.A O no hydrogen 3.401 N/A LEU 56.A N PHE 53.A O no hydrogen 3.157 N/A HIS 57.A N SER 149.A OG no hydrogen 2.906 N/A ASP 59.A N HIS 57.A ND1 no hydrogen 3.265 N/A GLN 61.A N HIS 57.A O no hydrogen 3.071 N/A GLN 61.A NE2 LEU 56.A O no hydrogen 2.709 N/A ILE 62.A N ILE 58.A O no hydrogen 3.058 N/A THR 63.A N ASP 59.A O no hydrogen 2.971 N/A THR 63.A OG1 ASP 59.A O no hydrogen 2.750 N/A LEU 64.A N ASP 60.A O no hydrogen 2.812 N/A ILE 65.A N GLN 61.A O no hydrogen 2.986 N/A GLN 66.A N ILE 62.A O no hydrogen 2.965 N/A TYR 67.A N THR 63.A O no hydrogen 2.883 N/A SER 68.A N LEU 64.A O no hydrogen 3.053 N/A SER 68.A OG LEU 64.A O no hydrogen 2.770 N/A TRP 69.A N GLN 66.A O no hydrogen 3.434 N/A SER 71.A OG.B SER 68.A O no hydrogen 2.920 N/A LEU 72.A N SER 68.A O no hydrogen 2.886 N/A MET 73.A N TRP 69.A O no hydrogen 3.182 N/A VAL 74.A N MET 70.A O no hydrogen 3.011 N/A PHE 75.A N SER 71.A O.A no hydrogen 2.984 N/A PHE 75.A N SER 71.A O.B no hydrogen 2.993 N/A GLY 76.A N LEU 72.A O no hydrogen 2.999 N/A LEU 77.A N MET 73.A O no hydrogen 2.834 N/A GLY 78.A N VAL 74.A O no hydrogen 2.984 N/A TRP 79.A N PHE 75.A O no hydrogen 3.148 N/A ARG 80.A N GLY 76.A O no hydrogen 3.020 N/A ARG 80.A NE TYR 91.A O no hydrogen 3.204 N/A ARG 80.A NE PHE 92.A O no hydrogen 3.338 N/A ARG 80.A NH2 PHE 92.A O no hydrogen 2.999 N/A SER 81.A N LEU 77.A O no hydrogen 3.002 N/A SER 81.A OG LEU 77.A O no hydrogen 2.705 N/A SER 81.A OG MET 89.A O no hydrogen 3.263 N/A TYR 82.A N GLY 78.A O no hydrogen 3.055 N/A TYR 82.A OH VAL 125.A O no hydrogen 2.978 N/A LYS 83.A N TRP 79.A O no hydrogen 2.720 N/A HIS 84.A N ARG 80.A O no hydrogen 2.803 N/A HIS 84.A ND1 ARG 80.A O no hydrogen 3.029 N/A VAL 85.A N SER 81.A O no hydrogen 3.019 N/A GLY 87.A N SER 81.A O no hydrogen 2.805 N/A GLN 88.A N VAL 85.A O no hydrogen 2.927 N/A GLN 88.A NE2 SER 86.A O no hydrogen 2.888 N/A GLN 88.A NE2 GLN 118.A OE1.B no hydrogen 3.650 N/A LEU 90.A N LEU 98.A O no hydrogen 2.826 N/A TYR 91.A N SER 81.A OG no hydrogen 2.941 N/A ALA 93.A N LEU 96.A O no hydrogen 3.126 N/A LEU 96.A N ALA 93.A O no hydrogen 2.964 N/A LEU 98.A N LEU 90.A O no hydrogen 2.884 N/A GLU 100.A N GLU 100.A OE2 no hydrogen 2.787 N/A ARG 102.A N ASN 99.A O no hydrogen 3.205 N/A ARG 102.A NH1 ILE 97.A O no hydrogen 3.163 N/A MET 103.A N GLU 100.A O no hydrogen 2.876 N/A CYS 110.A N PHE 106.A O no hydrogen 2.949 N/A CYS 110.A SG PHE 106.A O no hydrogen 3.327 N/A LEU 111.A N TYR 107.A O no hydrogen 2.924 N/A THR 112.A N SER 108.A O no hydrogen 3.235 N/A THR 112.A OG1 LEU 109.A O no hydrogen 2.842 N/A MET 113.A N LEU 109.A O no hydrogen 2.902 N/A TRP 114.A N CYS 110.A O no hydrogen 2.887 N/A TRP 114.A NE1 GLY 87.A O no hydrogen 3.049 N/A GLN 115.A N THR 112.A O no hydrogen 3.221 N/A ILE 116.A N MET 113.A O no hydrogen 3.220 N/A GLN 118.A N.A TRP 114.A O no hydrogen 3.437 N/A GLN 118.A N.B TRP 114.A O no hydrogen 3.452 N/A GLU 119.A N GLN 115.A O no hydrogen 3.087 N/A PHE 120.A N.A ILE 116.A O no hydrogen 2.968 N/A PHE 120.A N.B ILE 116.A O no hydrogen 2.965 N/A VAL 121.A N PRO 117.A O no hydrogen 2.980 N/A LYS 122.A N GLN 118.A O.A no hydrogen 2.903 N/A LYS 122.A N GLN 118.A O.B no hydrogen 2.887 N/A LYS 122.A NZ GLU 119.A OE1 no hydrogen 2.603 N/A LEU 123.A N GLU 119.A O no hydrogen 2.821 N/A VAL 125.A N PHE 120.A O.A no hydrogen 3.196 N/A VAL 125.A N PHE 120.A O.B no hydrogen 3.191 N/A SER 126.A N GLU 129.A OE2 no hydrogen 3.059 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 2.702 N/A GLU 129.A N SER 126.A OG no hydrogen 3.233 N/A PHE 130.A N SER 126.A O no hydrogen 2.985 N/A LEU 131.A N GLN 127.A O no hydrogen 3.028 N/A CYS 132.A SG GLU 128.A O no hydrogen 3.405 N/A MET 133.A N GLU 129.A O no hydrogen 2.935 N/A LYS 134.A N PHE 130.A O no hydrogen 2.821 N/A LYS 134.A NZ GLU 14.A OE1 no hydrogen 2.930 N/A VAL 135.A N LEU 131.A O no hydrogen 3.438 N/A LEU 136.A N CYS 132.A O no hydrogen 3.078 N/A LEU 137.A N MET 133.A O no hydrogen 2.899 N/A LEU 138.A N LYS 134.A O no hydrogen 3.118 N/A LEU 139.A N VAL 135.A O no hydrogen 3.217 N/A LEU 139.A N LEU 136.A O no hydrogen 3.115 N/A ASN 140.A N LEU 137.A O no hydrogen 3.344 N/A ILE 142.A N LYS 237.A O no hydrogen 3.014 N/A GLU 145.A N GLU 145.A OE2 no hydrogen 2.769 N/A GLY 146.A N PRO 143.A O no hydrogen 2.886 N/A LEU 147.A N GLN 150.A OE1 no hydrogen 2.967 N/A ARG 148.A N ASP 60.A OD1 no hydrogen 3.229 N/A SER 149.A N ASP 60.A OD2 no hydrogen 2.716 N/A GLN 150.A NE2 GLU 154.A OE1 no hydrogen 2.809 N/A GLN 152.A N GLN 152.A OE1 no hydrogen 2.770 N/A PHE 153.A N SER 149.A O no hydrogen 2.923 N/A GLU 154.A N GLN 150.A O no hydrogen 2.881 N/A GLU 155.A N THR 151.A O no hydrogen 3.212 N/A MET 156.A N GLN 152.A O no hydrogen 3.055 N/A ARG 157.A N PHE 153.A O no hydrogen 2.975 N/A ARG 157.A NH1 LEU 139.A O no hydrogen 3.134 N/A ARG 157.A NH1 ASN 140.A OD1 no hydrogen 3.347 N/A SER 158.A N GLU 154.A O no hydrogen 2.975 N/A SER 158.A OG GLU 154.A O no hydrogen 3.060 N/A SER 159.A N.A GLU 155.A O no hydrogen 2.984 N/A SER 159.A N.B GLU 155.A O no hydrogen 2.986 N/A SER 159.A OG.B GLU 155.A O no hydrogen 3.103 N/A TYR 160.A N MET 156.A O no hydrogen 3.067 N/A TYR 160.A OH PRO 51.A O no hydrogen 2.781 N/A ILE 161.A N ARG 157.A O no hydrogen 2.851 N/A ARG 162.A N SER 158.A O no hydrogen 2.902 N/A GLU 163.A N SER 159.A O.A no hydrogen 2.934 N/A GLU 163.A N SER 159.A O.B no hydrogen 2.926 N/A LEU 164.A N TYR 160.A O no hydrogen 2.947 N/A ILE 165.A N ILE 161.A O no hydrogen 3.060 N/A LYS 166.A N ARG 162.A O no hydrogen 3.094 N/A LYS 166.A NZ GLU 163.A OE2 no hydrogen 2.944 N/A ALA 167.A N GLU 163.A O no hydrogen 2.815 N/A ILE 168.A N LEU 164.A O no hydrogen 2.915 N/A GLY 169.A N ILE 165.A O no hydrogen 2.998 N/A LEU 170.A N LYS 166.A O no hydrogen 3.178 N/A LEU 170.A N ALA 167.A O no hydrogen 3.314 N/A ARG 171.A N ILE 168.A O no hydrogen 3.276 N/A SER 177.A N GLY 173.A O no hydrogen 2.941 N/A SER 177.A OG GLY 173.A O no hydrogen 2.746 N/A SER 177.A OG VAL 174.A O no hydrogen 3.260 N/A SER 178.A N VAL 174.A O no hydrogen 3.059 N/A GLN 179.A N VAL 175.A O no hydrogen 2.825 N/A ARG 180.A N SER 176.A O no hydrogen 2.826 N/A ARG 180.A NE GLU 129.A OE1 no hydrogen 2.867 N/A ARG 180.A NH1 LEU 123.A O no hydrogen 3.011 N/A ARG 180.A NH2 LEU 123.A O no hydrogen 2.902 N/A ARG 180.A NH2 GLU 129.A OE2 no hydrogen 2.985 N/A PHE 181.A N SER 177.A O no hydrogen 3.101 N/A TYR 182.A N SER 178.A O no hydrogen 3.253 N/A GLN 183.A N GLN 179.A O no hydrogen 3.146 N/A LEU 184.A N ARG 180.A O no hydrogen 3.067 N/A THR 185.A N PHE 181.A O no hydrogen 3.039 N/A THR 185.A OG1 PHE 181.A O no hydrogen 2.658 N/A THR 185.A OG1 TYR 182.A O no hydrogen 3.072 N/A THR 185.A OG1 HIS 242.A NE2 no hydrogen 2.671 N/A LYS 186.A N TYR 182.A O no hydrogen 2.817 N/A LEU 187.A N GLN 183.A O no hydrogen 3.029 N/A LEU 188.A N LEU 184.A O no hydrogen 3.323 N/A ASP 189.A N THR 185.A O no hydrogen 3.015 N/A ASN 190.A N LYS 186.A O no hydrogen 2.939 N/A LEU 191.A N LEU 187.A O no hydrogen 3.192 N/A LEU 191.A N LEU 188.A O no hydrogen 3.155 N/A HIS 192.A N ASP 189.A O no hydrogen 3.332 N/A HIS 192.A NE2 LEU 239.A O no hydrogen 2.981 N/A VAL 195.A N LEU 191.A O no hydrogen 2.843 N/A LYS 196.A N HIS 192.A O no hydrogen 3.180 N/A LYS 196.A NZ LEU 232.A O no hydrogen 3.245 N/A LEU 198.A N LEU 194.A O no hydrogen 3.363 N/A HIS 199.A N VAL 195.A O no hydrogen 2.717 N/A LEU 200.A N LYS 196.A O no hydrogen 3.017 N/A TYR 201.A N GLN 197.A O no hydrogen 3.187 N/A CYS 202.A N LEU 198.A O no hydrogen 3.044 N/A LEU 203.A N HIS 199.A O no hydrogen 2.962 N/A ASN 204.A N LEU 200.A O no hydrogen 2.954 N/A THR 205.A N TYR 201.A O no hydrogen 2.974 N/A THR 205.A OG1 TYR 201.A O no hydrogen 2.676 N/A PHE 206.A N CYS 202.A O no hydrogen 2.834 N/A ILE 207.A N LEU 203.A O no hydrogen 2.950 N/A GLN 208.A N ASN 204.A O no hydrogen 3.104 N/A SER 209.A N PHE 206.A O no hydrogen 3.338 N/A SER 209.A OG PHE 206.A O no hydrogen 3.251 N/A LEU 212.A N GLN 208.A O no hydrogen 2.973 N/A SER 213.A N ARG 210.A O no hydrogen 3.264 N/A VAL 214.A N SER 209.A O no hydrogen 3.000 N/A GLU 215.A N.A THR 30.A OG1 no hydrogen 3.299 N/A GLU 215.A N.B THR 30.A OG1 no hydrogen 3.307 N/A MET 219.A N GLU 37.A OE1 no hydrogen 3.035 N/A MET 220.A N GLU 37.A OE2 no hydrogen 2.879 N/A SER 221.A N PRO 217.A O no hydrogen 3.042 N/A SER 221.A OG PHE 216.A O no hydrogen 3.068 N/A SER 221.A OG PRO 217.A O no hydrogen 2.703 N/A GLU 222.A N GLU 218.A O no hydrogen 3.168 N/A VAL 223.A N MET 219.A O no hydrogen 3.430 N/A ILE 224.A N MET 220.A O no hydrogen 3.058 N/A ALA 225.A N SER 221.A O no hydrogen 2.871 N/A ALA 226.A N GLU 222.A O no hydrogen 2.810 N/A GLN 227.A N VAL 223.A O no hydrogen 2.966 N/A GLN 227.A NE2 GLN 66.A OE1 no hydrogen 2.611 N/A LEU 228.A N ILE 224.A O no hydrogen 3.316 N/A ILE 231.A N GLN 227.A O no hydrogen 2.915 N/A LEU 232.A N LEU 228.A O no hydrogen 2.836 N/A ALA 233.A N PRO 229.A O no hydrogen 2.979 N/A GLY 234.A N ILE 231.A O no hydrogen 3.015 N/A MET 235.A N LYS 230.A O no hydrogen 2.838 N/A LYS 237.A N ILE 142.A O no hydrogen 2.705 N/A LEU 239.A N ASN 140.A O no hydrogen 2.745 N/A PHE 241.A N ASP 189.A OD2 no hydrogen 2.913 N/A HIS 242.A N ASP 189.A OD1 no hydrogen 3.013 N/A HIS 242.A NE2 THR 185.A OG1 no hydrogen 2.671 N/A