Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2c3i_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N ILE 20.A O no hydrogen 2.806 N/A GLY 5.A N SER 18.A O no hydrogen 2.675 N/A LEU 8.A N VAL 16.A O no hydrogen 2.656 N/A GLY 9.A N VAL 16.A O no hydrogen 3.280 N/A GLY 11.A N GLY 14.A O no hydrogen 2.875 N/A GLY 14.A N GLY 11.A O no hydrogen 2.859 N/A SER 15.A N HIS 32.A O no hydrogen 2.927 N/A VAL 16.A N GLY 9.A O no hydrogen 2.856 N/A TYR 17.A N ILE 30.A O no hydrogen 2.758 N/A SER 18.A N PRO 6.A O no hydrogen 2.794 N/A GLY 19.A N VAL 28.A O no hydrogen 3.011 N/A ILE 20.A N GLN 3.A O no hydrogen 3.064 N/A ARG 21.A N LEU 26.A O no hydrogen 2.935 N/A ARG 21.A NE ASP 24.A OD1 no hydrogen 3.216 N/A ARG 21.A NH2 ASP 24.A OD2 no hydrogen 3.298 N/A VAL 22.A N GLN 1.A O no hydrogen 2.832 N/A ASP 24.A N ARG 21.A O no hydrogen 3.340 N/A ASN 25.A ND2 VAL 22.A O no hydrogen 3.359 N/A LEU 26.A N ASP 24.A OD1 no hydrogen 3.297 N/A VAL 28.A N GLY 19.A O no hydrogen 3.064 N/A ALA 29.A N LEU 81.A O no hydrogen 2.818 N/A ILE 30.A N TYR 17.A O no hydrogen 2.818 N/A LYS 31.A N LEU 79.A O no hydrogen 2.893 N/A LYS 31.A NZ GLU 50.A OE1 no hydrogen 2.708 N/A LYS 31.A NZ GLU 50.A OE2 no hydrogen 3.244 N/A LYS 31.A NZ ASP 147.A OD1 no hydrogen 3.232 N/A HIS 32.A N SER 15.A O no hydrogen 2.880 N/A VAL 33.A N PHE 77.A O no hydrogen 2.990 N/A LYS 35.A N ASP 75.A O no hydrogen 2.730 N/A LYS 35.A NZ GLU 72.A OE2 no hydrogen 2.693 N/A LYS 35.A NZ ARG 73.A O no hydrogen 2.554 N/A LYS 35.A NZ PRO 74.A O no hydrogen 3.130 N/A ARG 37.A N GLU 34.A O no hydrogen 3.088 N/A ILE 38.A N LYS 35.A O no hydrogen 3.063 N/A GLY 42.A N VAL 47.A O no hydrogen 2.813 N/A VAL 47.A N GLY 42.A O no hydrogen 2.996 N/A MET 49.A N ASP 40.A O no hydrogen 3.019 N/A VAL 51.A N PRO 48.A O no hydrogen 2.863 N/A VAL 52.A N PRO 48.A O no hydrogen 3.452 N/A LEU 53.A N MET 49.A O no hydrogen 2.885 N/A LEU 54.A N GLU 50.A O no hydrogen 2.826 N/A LYS 55.A N VAL 51.A O no hydrogen 3.077 N/A LYS 56.A N VAL 52.A O no hydrogen 3.107 N/A LYS 56.A NZ CYS 122.A O no hydrogen 3.328 N/A VAL 57.A N LEU 53.A O no hydrogen 3.143 N/A VAL 57.A N LEU 54.A O no hydrogen 3.205 N/A SER 58.A OG LEU 54.A O no hydrogen 2.726 N/A VAL 64.A N SER 62.A OG no hydrogen 3.202 N/A ILE 65.A N LEU 145.A O no hydrogen 3.086 N/A ARG 66.A N.A GLU 82.A OE1 no hydrogen 2.997 N/A ARG 66.A N.B GLU 82.A OE1 no hydrogen 3.007 N/A ARG 66.A NE.A SER 58.A O no hydrogen 2.875 N/A ARG 66.A NH2.A SER 58.A O no hydrogen 3.109 N/A LEU 67.A N SER 58.A OG no hydrogen 2.964 N/A LEU 68.A N ILE 80.A O no hydrogen 2.700 N/A ASP 69.A N ILE 80.A O no hydrogen 3.269 N/A TRP 70.A N ASP 69.A OD1 no hydrogen 2.883 N/A PHE 71.A N VAL 78.A O no hydrogen 2.907 N/A ARG 73.A N SER 76.A O no hydrogen 2.697 N/A PHE 77.A N VAL 33.A O no hydrogen 2.849 N/A VAL 78.A N PHE 71.A O no hydrogen 2.887 N/A LEU 79.A N LYS 31.A O no hydrogen 2.776 N/A ILE 80.A N ASP 69.A O no hydrogen 2.806 N/A LEU 81.A N ALA 29.A O no hydrogen 2.852 N/A GLU 82.A N ARG 66.A O.A no hydrogen 3.009 N/A GLU 82.A N ARG 66.A O.B no hydrogen 3.020 N/A ARG 83.A NE VAL 28.A O no hydrogen 2.648 N/A ARG 83.A NH1 GLU 85.A OE2 no hydrogen 3.475 N/A ARG 83.A NH2 GLY 19.A O no hydrogen 2.902 N/A GLN 88.A N ILE 136.A O no hydrogen 3.090 N/A GLN 88.A NE2 GLU 96.A OE1.A no hydrogen 3.227 N/A GLN 88.A NE2 GLU 96.A OE2.B no hydrogen 2.907 N/A LEU 90.A N ILE 134.A O no hydrogen 2.777 N/A PHE 91.A N ASP 131.A O no hydrogen 3.266 N/A ASP 92.A N ASP 89.A OD2 no hydrogen 2.840 N/A PHE 93.A N ASP 89.A O no hydrogen 2.991 N/A ILE 94.A N LEU 90.A O no hydrogen 3.038 N/A THR 95.A N PHE 91.A O no hydrogen 3.012 N/A THR 95.A OG1 PHE 91.A O no hydrogen 2.984 N/A GLU 96.A N.A ASP 92.A O no hydrogen 2.984 N/A GLU 96.A N.B ASP 92.A O no hydrogen 2.935 N/A ARG 97.A N PHE 93.A O no hydrogen 2.849 N/A ARG 97.A NH1 HIS 264.A O no hydrogen 2.995 N/A ARG 97.A NH2 HIS 264.A O no hydrogen 2.958 N/A GLY 98.A N ILE 94.A O no hydrogen 2.751 N/A LEU 100.A N MET 196.A O no hydrogen 2.853 N/A ALA 105.A N GLN 101.A O no hydrogen 2.919 N/A ARG 106.A N GLU 102.A O no hydrogen 2.878 N/A ARG 106.A NE TRP 250.A O no hydrogen 2.656 N/A ARG 106.A NH2 TRP 250.A O no hydrogen 3.178 N/A SER 107.A N GLU 103.A O no hydrogen 3.165 N/A SER 107.A OG THR 260.A OG1 no hydrogen 2.740 N/A PHE 108.A N LEU 104.A O no hydrogen 2.946 N/A PHE 109.A N ALA 105.A O no hydrogen 2.714 N/A TRP 110.A N ARG 106.A O no hydrogen 2.868 N/A GLN 111.A N SER 107.A O no hydrogen 3.191 N/A GLN 111.A NE2 GLY 141.A O no hydrogen 2.873 N/A VAL 112.A N PHE 108.A O no hydrogen 2.952 N/A LEU 113.A N PHE 109.A O no hydrogen 2.912 N/A GLU 114.A N TRP 110.A O no hydrogen 2.968 N/A ALA 115.A N GLN 111.A O no hydrogen 3.051 N/A VAL 116.A N VAL 112.A O no hydrogen 2.902 N/A ARG 117.A N LEU 113.A O no hydrogen 2.907 N/A ARG 117.A NH1 GLU 114.A OE2 no hydrogen 3.250 N/A ARG 117.A NH1 GLN 246.A OE1 no hydrogen 2.983 N/A HIS 118.A N GLU 114.A O no hydrogen 2.954 N/A HIS 118.A NE2 VAL 57.A O no hydrogen 2.982 N/A CYS 119.A N ALA 115.A O no hydrogen 3.065 N/A CYS 119.A SG ALA 115.A O no hydrogen 3.350 N/A HIS 120.A N VAL 116.A O no hydrogen 2.913 N/A ASN 121.A N ARG 117.A O no hydrogen 2.786 N/A CYS 122.A N HIS 118.A O no hydrogen 3.037 N/A CYS 122.A SG LYS 56.A O no hydrogen 3.585 N/A CYS 122.A SG HIS 118.A O no hydrogen 3.185 N/A GLY 123.A N HIS 120.A O no hydrogen 3.022 N/A VAL 124.A N CYS 119.A O no hydrogen 2.757 N/A LEU 125.A N ALA 152.A O no hydrogen 2.920 N/A HIS 126.A NE2 ILE 146.A O no hydrogen 2.870 N/A ARG 127.A NE SER 150.A O no hydrogen 2.899 N/A ARG 127.A NH1 SER 150.A O no hydrogen 3.253 N/A ARG 127.A NH1 GLY 151.A O no hydrogen 3.350 N/A ARG 127.A NH1 ASP 161.A OD2 no hydrogen 3.181 N/A ARG 127.A NH2 ASP 161.A OD1 no hydrogen 3.299 N/A ARG 127.A NH2 ASP 161.A OD2 no hydrogen 3.061 N/A ARG 127.A NH2 TYR 179.A OH no hydrogen 2.866 N/A ASP 128.A N HIS 126.A ND1 no hydrogen 2.947 N/A LYS 130.A NZ GLU 132.A OE2 no hydrogen 3.048 N/A LYS 130.A NZ THR 165.A OG1 no hydrogen 2.761 N/A ASP 131.A N TYR 168.A OH no hydrogen 3.441 N/A ASN 133.A N LYS 130.A O no hydrogen 2.900 N/A ASN 133.A ND2 ASP 128.A O no hydrogen 2.850 N/A ASN 133.A ND2 ASP 128.A OD2 no hydrogen 3.197 N/A ILE 134.A N ASP 131.A O no hydrogen 3.350 N/A LEU 135.A N LYS 144.A O no hydrogen 2.861 N/A ILE 136.A N GLN 88.A O no hydrogen 2.805 N/A ASP 137.A N GLU 142.A O no hydrogen 2.754 N/A LEU 138.A N PRO 86.A O no hydrogen 3.073 N/A ASN 139.A N ASP 137.A OD1 no hydrogen 3.056 N/A ARG 140.A N ASP 137.A OD1 no hydrogen 3.159 N/A GLY 141.A N ASP 137.A O no hydrogen 2.823 N/A LEU 143.A N GLN 111.A OE1 no hydrogen 2.804 N/A LYS 144.A N LEU 135.A O no hydrogen 2.782 N/A LYS 144.A NZ SER 62.A O no hydrogen 2.944 N/A LEU 145.A N GLY 63.A O no hydrogen 2.830 N/A ILE 146.A N ASN 133.A O no hydrogen 2.899 N/A PHE 148.A N GLU 50.A OE2 no hydrogen 3.017 N/A GLY 149.A N ASP 147.A OD1 no hydrogen 3.138 N/A SER 150.A OG ASP 163.A O no hydrogen 3.306 N/A GLY 151.A N PHE 148.A O no hydrogen 3.031 N/A ALA 152.A N LEU 125.A O no hydrogen 2.984 N/A LEU 154.A N GLY 123.A O no hydrogen 2.837 N/A LYS 155.A NZ VAL 158.A O no hydrogen 3.168 N/A TYR 159.A N TYR 179.A O no hydrogen 2.800 N/A TYR 159.A OH LEU 153.A O no hydrogen 2.645 N/A THR 165.A OG1 ASP 128.A OD1 no hydrogen 2.636 N/A ARG 166.A NE ASP 206.A OD1 no hydrogen 3.012 N/A ARG 166.A NE ASP 206.A OD2 no hydrogen 3.421 N/A ARG 166.A NH2 ASP 206.A OD2 no hydrogen 2.786 N/A TYR 168.A N THR 165.A O no hydrogen 3.087 N/A SER 169.A N ARG 166.A O no hydrogen 2.957 N/A SER 169.A OG ARG 166.A O no hydrogen 2.753 N/A GLU 172.A N GLU 172.A OE2 no hydrogen 2.715 N/A TRP 173.A N PRO 170.A O no hydrogen 2.925 N/A ILE 174.A N PRO 170.A O no hydrogen 3.202 N/A ARG 175.A N PRO 171.A O no hydrogen 2.796 N/A ARG 175.A NE TYR 176.A OH no hydrogen 3.565 N/A TYR 176.A N GLU 172.A O no hydrogen 2.959 N/A HIS 177.A N TRP 173.A O no hydrogen 2.898 N/A TYR 179.A N TYR 159.A O no hydrogen 3.065 N/A TYR 179.A OH ASP 161.A O no hydrogen 2.552 N/A SER 183.A OG HIS 180.A O no hydrogen 3.329 N/A ALA 184.A N HIS 180.A O no hydrogen 3.097 N/A ALA 185.A N GLY 181.A O no hydrogen 2.963 N/A VAL 186.A N ARG 182.A O no hydrogen 2.972 N/A TRP 187.A N SER 183.A O no hydrogen 3.146 N/A SER 188.A N ALA 184.A O no hydrogen 3.137 N/A SER 188.A OG ALA 185.A O no hydrogen 2.733 N/A LEU 189.A N ALA 185.A O no hydrogen 2.985 N/A GLY 190.A N VAL 186.A O no hydrogen 2.971 N/A ILE 191.A N TRP 187.A O no hydrogen 3.066 N/A LEU 192.A N SER 188.A O no hydrogen 2.930 N/A LEU 193.A N LEU 189.A O no hydrogen 2.897 N/A TYR 194.A N GLY 190.A O no hydrogen 3.029 N/A TYR 194.A OH PHE 215.A O no hydrogen 2.498 N/A ASP 195.A N ILE 191.A O no hydrogen 2.924 N/A MET 196.A N LEU 192.A O no hydrogen 3.001 N/A VAL 197.A N LEU 193.A O no hydrogen 3.024 N/A CYS 198.A N TYR 194.A O no hydrogen 2.746 N/A GLY 199.A N ASP 195.A O no hydrogen 2.799 N/A GLU 204.A N GLU 208.A OE1 no hydrogen 2.622 N/A HIS 205.A N GLU 208.A OE1 no hydrogen 3.093 N/A HIS 205.A ND1 GLU 208.A OE2 no hydrogen 3.131 N/A ILE 209.A N HIS 205.A O no hydrogen 3.104 N/A ILE 210.A N ASP 206.A O no hydrogen 3.052 N/A GLY 211.A N GLU 207.A O no hydrogen 3.041 N/A GLY 212.A N GLU 208.A O no hydrogen 3.126 N/A ARG 217.A NE TYR 194.A OH no hydrogen 3.085 N/A SER 221.A N GLU 102.A OE2 no hydrogen 2.759 N/A SER 221.A OG GLU 102.A OE1 no hydrogen 2.626 N/A SER 221.A OG GLU 102.A OE2 no hydrogen 3.557 N/A CYS 224.A N SER 221.A OG no hydrogen 3.203 N/A GLN 225.A N SER 221.A O no hydrogen 2.944 N/A GLN 225.A NE2 VAL 220.A O no hydrogen 3.485 N/A HIS 226.A N SER 222.A O no hydrogen 2.970 N/A HIS 226.A ND1 HIS 248.A NE2 no hydrogen 2.853 N/A LEU 227.A N GLU 223.A O no hydrogen 3.114 N/A ILE 228.A N CYS 224.A O no hydrogen 3.025 N/A ARG 229.A N GLN 225.A O no hydrogen 2.882 N/A ARG 229.A NH1 VAL 214.A O no hydrogen 3.238 N/A ARG 229.A NH1 GLN 225.A OE1 no hydrogen 3.544 N/A ARG 229.A NH2 GLN 225.A OE1 no hydrogen 2.819 N/A TRP 230.A N HIS 226.A O no hydrogen 2.970 N/A CYS 231.A N LEU 227.A O no hydrogen 2.965 N/A CYS 231.A SG LEU 227.A O no hydrogen 3.558 N/A LEU 232.A N ILE 228.A O no hydrogen 2.954 N/A ALA 233.A N TRP 230.A O no hydrogen 3.194 N/A ASP 238.A N ARG 235.A O no hydrogen 2.991 N/A ARG 239.A N PRO 236.A O no hydrogen 3.082 N/A ARG 239.A NE ALA 233.A O no hydrogen 2.874 N/A ARG 239.A NH1 GLU 172.A OE1 no hydrogen 2.770 N/A ARG 239.A NH1 SER 183.A O no hydrogen 2.996 N/A ARG 239.A NH2 GLU 172.A OE1 no hydrogen 3.559 N/A ARG 239.A NH2 GLU 172.A OE2 no hydrogen 2.807 N/A ARG 239.A NH2 ALA 233.A O no hydrogen 3.146 N/A THR 241.A N GLU 244.A OE1 no hydrogen 2.985 N/A THR 241.A OG1 GLU 244.A OE1 no hydrogen 3.493 N/A GLU 244.A N THR 241.A OG1 no hydrogen 3.126 N/A ILE 245.A N THR 241.A O no hydrogen 3.017 N/A GLN 246.A N PHE 242.A O no hydrogen 2.990 N/A GLN 246.A NE2 GLU 114.A OE2 no hydrogen 2.717 N/A ASN 247.A N GLU 243.A O no hydrogen 2.937 N/A HIS 248.A N ILE 245.A O no hydrogen 2.957 N/A HIS 248.A NE2 HIS 226.A ND1 no hydrogen 2.853 N/A TRP 250.A N HIS 248.A ND1 no hydrogen 3.020 N/A TRP 250.A NE1 GLU 102.A OE1 no hydrogen 2.907 N/A MET 251.A N HIS 248.A O no hydrogen 2.954 N/A GLN 252.A N PRO 249.A O no hydrogen 3.347 N/A GLN 252.A NE2.A GLN 246.A O no hydrogen 2.896 N/A GLN 252.A NE2.A HIS 248.A O no hydrogen 2.853 N/A LEU 256.A N GLU 259.A OE1 no hydrogen 2.883 N/A GLN 258.A NE2.A ASN 139.A O no hydrogen 3.137 N/A THR 260.A N LEU 256.A O no hydrogen 2.988 N/A THR 260.A OG1 SER 107.A OG no hydrogen 2.740 N/A THR 260.A OG1 LEU 256.A O no hydrogen 2.965 N/A ALA 261.A N PRO 257.A O no hydrogen 2.880 N/A GLU 262.A N GLN 258.A O.A no hydrogen 2.959 N/A ILE 263.A N GLU 259.A O no hydrogen 2.896 N/A HIS 264.A N THR 260.A O no hydrogen 2.855 N/A HIS 264.A NE2 GLU 103.A OE1 no hydrogen 2.781 N/A LEU 265.A N ALA 261.A O no hydrogen 2.792 N/A HIS 266.A N ALA 261.A O no hydrogen 2.718 N/A HIS 266.A NE2 ASN 139.A O no hydrogen 2.917 N/A