Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4g2f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 GLU 7.A OE1 no hydrogen 2.487 N/A PHE 4.A N VAL 1.A O no hydrogen 2.965 N/A ALA 5.A N VAL 1.A O no hydrogen 2.776 N/A LEU 8.A N VAL 80.A O no hydrogen 2.773 N/A THR 11.A N ASP 9.A OD1 no hydrogen 3.327 N/A THR 11.A OG1 ASP 9.A OD2 no hydrogen 2.937 N/A ASN 12.A N ASP 9.A O no hydrogen 2.858 N/A ILE 13.A N ALA 10.A O no hydrogen 3.206 N/A SER 14.A N ARG 31.A O no hydrogen 2.999 N/A SER 14.A OG ASP 16.A OD1 no hydrogen 3.522 N/A ASP 16.A N SER 29.A O no hydrogen 2.820 N/A LYS 17.A N SER 29.A O no hydrogen 3.279 N/A VAL 19.A N VAL 27.A O no hydrogen 2.626 N/A GLY 20.A N VAL 27.A O no hydrogen 3.090 N/A GLY 22.A N GLY 25.A O no hydrogen 2.816 N/A VAL 27.A N GLY 20.A O no hydrogen 2.758 N/A CYS 28.A N ILE 44.A O no hydrogen 2.677 N/A SER 29.A N LYS 17.A O no hydrogen 2.811 N/A GLY 30.A N VAL 42.A O no hydrogen 2.947 N/A ARG 31.A N SER 14.A O no hydrogen 3.018 N/A ARG 31.A NH2.A GLU 39.A OE1 no hydrogen 2.565 N/A LEU 32.A N ILE 40.A O no hydrogen 2.865 N/A LYS 33.A N ASN 12.A O no hydrogen 2.817 N/A LYS 33.A NZ LYS 37.A O no hydrogen 2.675 N/A LYS 33.A NZ GLU 39.A OE2 no hydrogen 2.844 N/A LEU 34.A N LYS 38.A O no hydrogen 2.798 N/A LYS 37.A N LEU 34.A O no hydrogen 2.836 N/A LYS 38.A N SER 36.A OG no hydrogen 3.386 N/A ILE 40.A N LEU 32.A O no hydrogen 2.967 N/A VAL 42.A N GLY 30.A O no hydrogen 2.959 N/A ALA 43.A N THR 91.A O no hydrogen 2.844 N/A ILE 44.A N CYS 28.A O no hydrogen 2.766 N/A LYS 45.A N ILE 89.A O no hydrogen 2.841 N/A LYS 45.A NZ GLU 62.A OE1 no hydrogen 2.799 N/A THR 46.A N GLU 26.A O no hydrogen 2.959 N/A THR 46.A OG1 GLU 26.A O no hydrogen 2.951 N/A LEU 47.A N VAL 87.A O no hydrogen 2.936 N/A LYS 48.A N PHE 24.A O no hydrogen 2.718 N/A THR 52.A N GLN 55.A OE1 no hydrogen 2.858 N/A THR 52.A OG1 GLN 55.A OE1 no hydrogen 3.374 N/A GLN 55.A N THR 52.A OG1 no hydrogen 2.959 N/A ARG 56.A N THR 52.A O no hydrogen 3.029 N/A ARG 57.A N GLU 53.A O no hydrogen 3.111 N/A ASP 58.A N LYS 54.A O no hydrogen 3.016 N/A PHE 59.A N GLN 55.A O no hydrogen 2.847 N/A LEU 60.A N ARG 56.A O no hydrogen 3.008 N/A GLY 61.A N ARG 57.A O no hydrogen 2.831 N/A GLU 62.A N PHE 59.A O no hydrogen 3.357 N/A SER 64.A N LEU 60.A O no hydrogen 3.118 N/A SER 64.A OG LEU 60.A O no hydrogen 3.457 N/A ILE 65.A N GLY 61.A O no hydrogen 3.217 N/A MET 66.A N GLU 62.A O no hydrogen 2.797 N/A GLY 67.A N ALA 63.A O no hydrogen 2.855 N/A GLN 68.A N ILE 65.A O no hydrogen 3.004 N/A GLN 68.A NE2 SER 64.A O no hydrogen 3.228 N/A PHE 69.A N MET 66.A O no hydrogen 3.057 N/A ASN 73.A N HIS 71.A ND1 no hydrogen 2.901 N/A ASN 73.A ND2 CYS 152.A O no hydrogen 2.980 N/A ILE 74.A N HIS 71.A O no hydrogen 3.183 N/A ILE 75.A N VAL 154.A O no hydrogen 3.009 N/A ARG 76.A N GLU 92.A OE2 no hydrogen 2.829 N/A ARG 76.A NE GLU 78.A OE2 no hydrogen 3.007 N/A GLU 78.A N VAL 90.A O no hydrogen 2.754 N/A GLY 79.A N VAL 90.A O no hydrogen 3.292 N/A VAL 80.A N LYS 6.A O no hydrogen 2.848 N/A VAL 81.A N MET 88.A O no hydrogen 2.934 N/A THR 82.A N GLU 7.A OE2 no hydrogen 2.913 N/A THR 82.A OG1 GLU 7.A OE1 no hydrogen 2.765 N/A THR 82.A OG1 GLU 7.A OE2 no hydrogen 3.516 N/A LYS 83.A N GLU 7.A OE2 no hydrogen 3.040 N/A LYS 85.A NZ TYR 51.A OH no hydrogen 2.962 N/A MET 88.A N VAL 81.A O no hydrogen 2.941 N/A ILE 89.A N LYS 45.A O no hydrogen 2.896 N/A VAL 90.A N GLY 79.A O no hydrogen 2.921 N/A THR 91.A N ALA 43.A O no hydrogen 2.894 N/A THR 91.A OG1 GLU 92.A O no hydrogen 3.449 N/A GLU 92.A N ARG 76.A O no hydrogen 3.008 N/A ASN 96.A N ILE 146.A O no hydrogen 2.937 N/A ASN 96.A ND2 ASN 147.A O no hydrogen 2.902 N/A GLY 97.A N MET 94.A O no hydrogen 3.251 N/A SER 98.A OG.A ARG 142.A O no hydrogen 3.393 N/A SER 98.A OG.B ASP 100.A OD1 no hydrogen 3.231 N/A SER 98.A OG.B SER 101.A OG no hydrogen 2.575 N/A LEU 99.A N ILE 144.A O no hydrogen 2.760 N/A SER 101.A OG SER 98.A O.A no hydrogen 3.202 N/A SER 101.A OG SER 98.A O.B no hydrogen 3.060 N/A SER 101.A OG SER 98.A OG.B no hydrogen 2.575 N/A PHE 102.A N SER 98.A O.A no hydrogen 3.016 N/A PHE 102.A N SER 98.A O.B no hydrogen 2.997 N/A LEU 103.A N LEU 99.A O no hydrogen 2.946 N/A ARG 104.A N ASP 100.A O no hydrogen 3.095 N/A ARG 104.A NH1 ASP 100.A OD2 no hydrogen 3.314 N/A ARG 104.A NH1 GLY 198.A O no hydrogen 2.817 N/A ARG 104.A NH2 ASP 100.A OD2 no hydrogen 3.020 N/A LYS 105.A N PHE 102.A O no hydrogen 3.083 N/A HIS 106.A N LEU 103.A O no hydrogen 2.939 N/A HIS 106.A ND1 GLN 109.A OE1 no hydrogen 2.807 N/A GLN 109.A N HIS 106.A O no hydrogen 2.889 N/A PHE 110.A N TYR 197.A OH no hydrogen 3.032 N/A THR 111.A N GLN 114.A OE1 no hydrogen 2.980 N/A GLN 114.A N THR 111.A OG1 no hydrogen 3.008 N/A LEU 115.A N THR 111.A O no hydrogen 3.092 N/A VAL 116.A N VAL 112.A O no hydrogen 2.823 N/A GLY 117.A N ILE 113.A O no hydrogen 2.918 N/A MET 118.A N GLN 114.A O no hydrogen 3.162 N/A LEU 119.A N LEU 115.A O no hydrogen 2.994 N/A ARG 120.A N VAL 116.A O no hydrogen 2.774 N/A ARG 120.A NE ASP 256.A OD1 no hydrogen 2.670 N/A ARG 120.A NH2 ASP 256.A OD1 no hydrogen 3.436 N/A ARG 120.A NH2 ASP 256.A OD2 no hydrogen 3.001 N/A GLY 121.A N GLY 117.A O no hydrogen 3.163 N/A ILE 122.A N MET 118.A O no hydrogen 3.164 N/A ALA 123.A N LEU 119.A O no hydrogen 2.979 N/A SER 124.A N ARG 120.A O no hydrogen 2.922 N/A SER 124.A OG.B ARG 120.A O no hydrogen 3.210 N/A GLY 125.A N GLY 121.A O no hydrogen 3.009 N/A MET 126.A N ILE 122.A O no hydrogen 2.965 N/A LYS 127.A N ALA 123.A O no hydrogen 2.865 N/A LYS 127.A NZ ASP 131.A OD1 no hydrogen 3.511 N/A LYS 127.A NZ ASP 131.A OD2 no hydrogen 2.585 N/A TYR 128.A N SER 124.A O no hydrogen 3.131 N/A LEU 129.A N GLY 125.A O no hydrogen 2.972 N/A SER 130.A N MET 126.A O no hydrogen 2.891 N/A SER 130.A OG MET 126.A O no hydrogen 2.827 N/A SER 130.A OG LYS 127.A O no hydrogen 2.999 N/A ASP 131.A N LYS 127.A O no hydrogen 2.925 N/A MET 132.A N TYR 128.A O no hydrogen 3.124 N/A MET 132.A N LEU 129.A O no hydrogen 3.084 N/A GLY 133.A N SER 130.A O no hydrogen 3.090 N/A TYR 134.A N LEU 129.A O no hydrogen 3.239 N/A TYR 134.A OH GLN 68.A OE1 no hydrogen 3.147 N/A VAL 135.A N ARG 161.A O no hydrogen 3.029 N/A HIS 136.A N ASP 183.A OD2 no hydrogen 2.769 N/A HIS 136.A NE2 SER 155.A O no hydrogen 2.830 N/A ARG 137.A N ASP 183.A OD1 no hydrogen 3.082 N/A ARG 137.A NE.A LEU 159.A O no hydrogen 2.957 N/A ARG 137.A NH2.A LEU 159.A O no hydrogen 3.290 N/A ASP 138.A N HIS 136.A ND1 no hydrogen 3.042 N/A ALA 141.A N GLU 193.A OE2 no hydrogen 2.938 N/A ASN 143.A N ALA 140.A O no hydrogen 2.867 N/A ASN 143.A ND2 ASP 138.A O no hydrogen 2.768 N/A ILE 144.A N ALA 141.A O no hydrogen 3.124 N/A LEU 145.A N LYS 153.A O no hydrogen 2.988 N/A ILE 146.A N GLY 97.A O no hydrogen 2.893 N/A ASN 147.A N VAL 151.A O no hydrogen 3.021 N/A ASN 149.A N ASN 147.A OD1 no hydrogen 2.937 N/A LEU 150.A N ASN 147.A O no hydrogen 3.033 N/A VAL 151.A N ASN 147.A OD1 no hydrogen 2.966 N/A CYS 152.A SG LEU 150.A O no hydrogen 3.818 N/A LYS 153.A N LEU 145.A O no hydrogen 2.900 N/A LYS 153.A NZ PRO 72.A O no hydrogen 3.218 N/A LYS 153.A NZ GLU 92.A OE1 no hydrogen 2.826 N/A LYS 153.A NZ GLU 92.A OE2 no hydrogen 3.317 N/A VAL 154.A N ASN 73.A O no hydrogen 2.836 N/A SER 155.A N ASN 143.A O no hydrogen 2.953 N/A PHE 157.A N GLU 62.A OE2 no hydrogen 2.922 N/A SER 160.A OG VAL 135.A O no hydrogen 3.469 N/A ARG 161.A N VAL 135.A O no hydrogen 3.044 N/A ARG 161.A NH1 SER 160.A O no hydrogen 3.306 N/A LEU 163.A N GLY 133.A O no hydrogen 2.999 N/A ARG 166.A NE PRO 201.A O no hydrogen 2.874 N/A ARG 166.A NE TRP 203.A O no hydrogen 3.147 N/A ARG 166.A NH1 ASN 207.A OD1 no hydrogen 2.828 N/A ARG 166.A NH2 TRP 203.A O no hydrogen 2.845 N/A ARG 166.A NH2 MET 205.A O no hydrogen 2.662 N/A TRP 167.A N PRO 164.A O no hydrogen 3.127 N/A TRP 167.A NE1 GLU 193.A OE2 no hydrogen 2.854 N/A THR 168.A N ILE 165.A O no hydrogen 3.152 N/A THR 168.A OG1 PRO 164.A O no hydrogen 2.671 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.834 N/A ALA 172.A N SER 169.A OG no hydrogen 3.249 N/A ILE 173.A N SER 169.A O no hydrogen 2.984 N/A ALA 174.A N PRO 170.A O no hydrogen 2.808 N/A TYR 175.A N GLU 171.A O no hydrogen 3.101 N/A ARG 176.A N ALA 172.A O no hydrogen 2.951 N/A LYS 177.A N GLU 171.A O no hydrogen 3.407 N/A THR 179.A N SER 182.A OG no hydrogen 2.858 N/A SER 182.A N THR 179.A O no hydrogen 2.940 N/A SER 182.A N THR 179.A OG1 no hydrogen 3.307 N/A SER 182.A OG THR 179.A O no hydrogen 2.698 N/A ASP 183.A N THR 179.A O no hydrogen 3.290 N/A VAL 184.A N SER 180.A O no hydrogen 2.907 N/A TRP 185.A N ALA 181.A O no hydrogen 3.188 N/A SER 186.A N SER 182.A O no hydrogen 3.099 N/A SER 186.A OG TRP 167.A O no hydrogen 2.650 N/A SER 186.A OG SER 182.A O no hydrogen 3.224 N/A TYR 187.A N ASP 183.A O no hydrogen 2.806 N/A TYR 187.A OH LEU 119.A O no hydrogen 2.772 N/A GLY 188.A N VAL 184.A O no hydrogen 3.020 N/A ILE 189.A N TRP 185.A O no hydrogen 3.183 N/A VAL 190.A N SER 186.A O no hydrogen 2.918 N/A LEU 191.A N TYR 187.A O no hydrogen 2.838 N/A TRP 192.A N GLY 188.A O no hydrogen 3.042 N/A TRP 192.A NE1 PRO 221.A O no hydrogen 2.779 N/A GLU 193.A N ILE 189.A O no hydrogen 2.823 N/A VAL 194.A N VAL 190.A O no hydrogen 2.780 N/A MET 195.A N LEU 191.A O no hydrogen 3.018 N/A SER 196.A N TRP 192.A O no hydrogen 2.921 N/A SER 196.A N GLU 193.A O no hydrogen 3.267 N/A SER 196.A OG TRP 192.A O no hydrogen 2.807 N/A TYR 197.A N VAL 194.A O no hydrogen 3.046 N/A GLY 198.A N GLU 193.A O no hydrogen 2.833 N/A GLU 199.A N SER 196.A O no hydrogen 3.415 N/A ARG 200.A NE TRP 203.A O no hydrogen 2.946 N/A TRP 203.A N ARG 200.A O no hydrogen 2.852 N/A MET 205.A N TYR 202.A O no hydrogen 3.025 N/A SER 206.A OG ASP 209.A OD2 no hydrogen 2.776 N/A ASP 209.A N SER 206.A O no hydrogen 2.995 N/A VAL 210.A N SER 206.A O no hydrogen 3.044 N/A ILE 211.A N ASN 207.A O no hydrogen 2.894 N/A LYS 212.A N GLN 208.A O no hydrogen 2.885 N/A LYS 212.A NZ GLU 216.A OE2 no hydrogen 2.879 N/A ALA 213.A N ASP 209.A O no hydrogen 2.819 N/A VAL 214.A N VAL 210.A O no hydrogen 3.157 N/A ASP 215.A N ILE 211.A O no hydrogen 3.167 N/A GLU 216.A N LYS 212.A O no hydrogen 2.930 N/A GLY 217.A N VAL 214.A O no hydrogen 3.011 N/A TYR 218.A N ALA 213.A O no hydrogen 2.955 N/A ARG 219.A N LEU 274.A O no hydrogen 2.761 N/A ARG 219.A NE TRP 238.A O no hydrogen 3.069 N/A ARG 219.A NH1 VAL 214.A O no hydrogen 2.942 N/A ARG 219.A NH1 TYR 218.A O no hydrogen 2.806 N/A ARG 219.A NH2 TRP 238.A O no hydrogen 2.957 N/A CYS 226.A N PRO 223.A O no hydrogen 3.053 N/A CYS 226.A SG PRO 227.A O no hydrogen 3.497 N/A ALA 228.A N ILE 267.A O no hydrogen 2.791 N/A LEU 230.A N PRO 227.A O no hydrogen 3.015 N/A TYR 231.A N PRO 227.A O no hydrogen 3.070 N/A TYR 231.A OH LEU 220.A O no hydrogen 2.625 N/A GLN 232.A N ALA 228.A O no hydrogen 2.822 N/A GLN 232.A NE2 ASP 236.A OD1 no hydrogen 2.881 N/A LEU 233.A N ALA 229.A O no hydrogen 3.107 N/A MET 234.A N LEU 230.A O no hydrogen 3.040 N/A LEU 235.A N TYR 231.A O no hydrogen 3.038 N/A ASP 236.A N GLN 232.A O no hydrogen 2.887 N/A CYS 237.A N LEU 233.A O no hydrogen 2.952 N/A CYS 237.A SG LEU 233.A O no hydrogen 3.371 N/A TRP 238.A N MET 234.A O no hydrogen 2.960 N/A TRP 238.A N LEU 235.A O no hydrogen 3.193 N/A GLN 239.A N ASP 236.A O no hydrogen 3.369 N/A LYS 240.A NZ ASP 215.A O no hydrogen 2.802 N/A ASN 243.A N ASP 241.A OD1 no hydrogen 2.908 N/A ASN 244.A N ASP 241.A O no hydrogen 2.824 N/A ARG 245.A N ARG 242.A O no hydrogen 3.169 N/A ARG 245.A NE GLN 239.A O no hydrogen 2.901 N/A ARG 245.A NH1 GLU 171.A OE2 no hydrogen 2.770 N/A ARG 245.A NH1 ALA 181.A O no hydrogen 2.969 N/A ARG 245.A NH2 GLU 171.A OE1 no hydrogen 2.909 N/A ARG 245.A NH2 GLU 171.A OE2 no hydrogen 3.554 N/A ARG 245.A NH2 GLN 239.A O no hydrogen 3.029 N/A LYS 247.A N GLN 250.A OE1 no hydrogen 2.785 N/A GLN 250.A N LYS 247.A O no hydrogen 2.927 N/A ILE 251.A N LYS 247.A O no hydrogen 3.037 N/A VAL 252.A N PHE 248.A O no hydrogen 2.886 N/A SER 253.A N GLU 249.A O no hydrogen 3.045 N/A SER 253.A OG GLU 249.A O no hydrogen 3.154 N/A ILE 254.A N GLN 250.A O no hydrogen 2.855 N/A LEU 255.A N ILE 251.A O no hydrogen 3.015 N/A ASP 256.A N VAL 252.A O no hydrogen 2.858 N/A LYS 257.A N SER 253.A O no hydrogen 3.136 N/A LEU 258.A N ILE 254.A O no hydrogen 3.245 N/A ILE 259.A N LEU 255.A O no hydrogen 2.943 N/A ARG 260.A N LYS 257.A O no hydrogen 3.038 N/A ASN 261.A N LYS 257.A O no hydrogen 3.262 N/A SER 264.A N ASN 261.A O no hydrogen 2.886 N/A SER 264.A OG ASN 261.A O no hydrogen 2.916 N/A LEU 265.A N PRO 262.A O no hydrogen 3.213 N/A THR 269.A N CYS 226.A O no hydrogen 2.874 N/A THR 269.A OG1 CYS 226.A O no hydrogen 2.847 N/A SER 271.A OG LEU 273.A O no hydrogen 2.731 N/A LEU 274.A N ARG 219.A O no hydrogen 2.789 N/A