Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8pqe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 9.A N ASP 7.A OD1 no hydrogen 3.041 N/A THR 9.A OG1 ASP 7.A OD1 no hydrogen 2.797 N/A THR 9.A OG1 ASP 7.A OD2 no hydrogen 3.140 N/A GLN 10.A N ASP 7.A O no hydrogen 2.886 N/A LEU 11.A N PRO 8.A O no hydrogen 3.207 N/A TYR 13.A OH GLU 18.A OE1 no hydrogen 2.720 N/A LYS 16.A N ASP 14.A OD1 no hydrogen 3.076 N/A TRP 17.A N ASP 14.A O no hydrogen 3.228 N/A TRP 17.A NE1 SER 79.A OG no hydrogen 2.775 N/A GLU 18.A N HIS 15.A O no hydrogen 3.056 N/A PHE 19.A N ALA 93.A O no hydrogen 2.887 N/A ARG 21.A NE HIS 96.A O no hydrogen 3.389 N/A ARG 21.A NH1 PRO 99.A O no hydrogen 2.659 N/A ARG 21.A NH2 HIS 96.A O no hydrogen 2.679 N/A ARG 21.A NH2 PRO 99.A O no hydrogen 3.086 N/A ARG 23.A N PRO 20.A O no hydrogen 3.047 N/A LEU 24.A N ARG 21.A O no hydrogen 3.244 N/A SER 25.A N THR 42.A O no hydrogen 3.041 N/A GLY 27.A N GLU 40.A O no hydrogen 2.657 N/A LYS 28.A N GLU 40.A OE1 no hydrogen 3.027 N/A LEU 30.A N VAL 38.A O no hydrogen 2.714 N/A GLY 31.A N VAL 38.A O no hydrogen 3.029 N/A GLY 33.A N GLY 36.A O no hydrogen 2.881 N/A LYS 37.A N MET 58.A O no hydrogen 3.205 N/A VAL 38.A N GLY 31.A O no hydrogen 2.704 N/A VAL 39.A N VAL 56.A O no hydrogen 2.895 N/A GLU 40.A N LYS 28.A O no hydrogen 2.780 N/A ALA 41.A N VAL 54.A O no hydrogen 2.830 N/A THR 42.A N SER 25.A O no hydrogen 2.916 N/A ALA 43.A N MET 52.A O no hydrogen 2.882 N/A GLN 44.A N ARG 23.A O no hydrogen 3.064 N/A GLN 44.A NE2 ASP 49.A O no hydrogen 3.276 N/A GLY 45.A N ALA 50.A O no hydrogen 2.794 N/A MET 52.A N ALA 43.A O no hydrogen 3.083 N/A VAL 54.A N ALA 41.A O no hydrogen 2.834 N/A ALA 55.A N THR 104.A O no hydrogen 2.982 N/A VAL 56.A N VAL 39.A O no hydrogen 2.810 N/A LYS 57.A N VAL 102.A O no hydrogen 2.833 N/A LYS 57.A NZ GLU 74.A OE1 no hydrogen 3.568 N/A LYS 57.A NZ GLU 74.A OE2 no hydrogen 2.852 N/A MET 58.A N LYS 37.A O no hydrogen 3.084 N/A LYS 60.A N PHE 35.A O no hydrogen 2.841 N/A ARG 68.A N HIS 64.A O no hydrogen 3.180 N/A GLU 69.A N SER 65.A O no hydrogen 3.003 N/A ALA 70.A N THR 66.A O no hydrogen 3.043 N/A LEU 71.A N GLU 67.A O no hydrogen 3.143 N/A MET 72.A N ARG 68.A O no hydrogen 3.054 N/A SER 73.A N GLU 69.A O no hydrogen 2.849 N/A SER 73.A OG GLU 69.A O no hydrogen 3.441 N/A GLU 74.A N ALA 70.A O no hydrogen 2.927 N/A LEU 75.A N LEU 71.A O no hydrogen 2.873 N/A LYS 76.A N MET 72.A O no hydrogen 2.732 N/A LYS 76.A NZ LEU 11.A O no hydrogen 3.204 N/A VAL 77.A N SER 73.A O no hydrogen 2.824 N/A LEU 78.A N GLU 74.A O no hydrogen 3.133 N/A SER 79.A N LEU 75.A O no hydrogen 3.050 N/A TYR 80.A N LYS 76.A O no hydrogen 3.090 N/A LEU 81.A N VAL 77.A O no hydrogen 2.995 N/A HIS 84.A N ASN 89.A OD1 no hydrogen 3.070 N/A ASN 86.A N HIS 84.A ND1 no hydrogen 2.951 N/A ASN 86.A ND2 GLN 141.A OE1 no hydrogen 3.117 N/A ASN 86.A ND2 THR 172.A O no hydrogen 3.077 N/A ILE 87.A N HIS 84.A O no hydrogen 3.368 N/A VAL 88.A N ILE 174.A O no hydrogen 2.938 N/A ASN 89.A N GLU 105.A OE1 no hydrogen 2.927 N/A ASN 89.A ND2 HIS 84.A O no hydrogen 2.919 N/A ASN 89.A ND2 GLU 105.A OE1 no hydrogen 2.942 N/A ASN 89.A ND2 GLU 105.A OE2 no hydrogen 3.500 N/A LEU 91.A N ILE 103.A O no hydrogen 2.675 N/A GLY 92.A N ILE 103.A O no hydrogen 3.116 N/A ALA 93.A N TRP 17.A O no hydrogen 2.936 N/A CYS 94.A N LEU 101.A O no hydrogen 2.811 N/A CYS 94.A SG PHE 19.A O no hydrogen 3.216 N/A THR 95.A N GLU 18.A OE2 no hydrogen 2.850 N/A THR 95.A OG1 GLU 18.A OE1 no hydrogen 2.683 N/A THR 95.A OG1 GLU 18.A OE2 no hydrogen 3.257 N/A LEU 101.A N CYS 94.A O no hydrogen 2.830 N/A VAL 102.A N LYS 57.A O no hydrogen 2.975 N/A ILE 103.A N GLY 92.A O no hydrogen 2.749 N/A THR 104.A N ALA 55.A O no hydrogen 2.816 N/A THR 104.A OG1 GLU 105.A O no hydrogen 3.384 N/A GLU 105.A N ASN 89.A O no hydrogen 2.973 N/A TYR 109.A N LEU 166.A O no hydrogen 3.008 N/A GLY 110.A N CYS 107.A O no hydrogen 3.284 N/A LEU 112.A N ILE 164.A O no hydrogen 2.622 N/A ASN 114.A N ASP 111.A OD2 no hydrogen 2.969 N/A ASN 114.A ND2 ASP 111.A OD1 no hydrogen 2.796 N/A PHE 115.A N ASP 111.A O no hydrogen 3.226 N/A LEU 116.A N LEU 112.A O no hydrogen 2.808 N/A ARG 117.A N LEU 113.A O no hydrogen 3.032 N/A ARG 117.A NE GLY 213.A O no hydrogen 2.639 N/A ARG 117.A NH2 GLY 213.A O no hydrogen 2.984 N/A ARG 118.A N ASN 114.A O no hydrogen 2.915 N/A LYS 119.A N PHE 115.A O no hydrogen 2.932 N/A LYS 119.A N LEU 116.A O no hydrogen 3.232 N/A ARG 120.A N ARG 117.A O no hydrogen 3.324 N/A ARG 120.A NE LEU 212.A O no hydrogen 3.073 N/A PHE 123.A N ARG 120.A O no hydrogen 3.309 N/A VAL 124.A N LEU 130.A O no hydrogen 3.030 N/A THR 131.A N HIS 134.A ND1 no hydrogen 3.032 N/A THR 131.A OG1 HIS 134.A ND1 no hydrogen 2.954 N/A LEU 132.A N PRO 125.A O no hydrogen 3.015 N/A LEU 135.A N THR 131.A O no hydrogen 3.154 N/A LEU 136.A N LEU 132.A O no hydrogen 2.843 N/A SER 137.A N GLU 133.A O no hydrogen 3.003 N/A PHE 138.A N HIS 134.A O no hydrogen 2.857 N/A SER 139.A N LEU 135.A O no hydrogen 2.991 N/A SER 139.A OG.A LEU 135.A O no hydrogen 3.560 N/A SER 139.A OG.A LEU 136.A O no hydrogen 2.678 N/A SER 139.A OG.B LEU 136.A O no hydrogen 2.721 N/A TYR 140.A N LEU 136.A O no hydrogen 2.918 N/A TYR 140.A OH GLU 272.A OE2 no hydrogen 2.715 N/A GLN 141.A N SER 137.A O no hydrogen 2.827 N/A GLN 141.A NE2 SER 137.A O no hydrogen 3.552 N/A GLN 141.A NE2 SER 137.A OG no hydrogen 2.937 N/A GLN 141.A NE2 ASN 170.A O no hydrogen 2.892 N/A VAL 142.A N PHE 138.A O no hydrogen 3.030 N/A ALA 143.A N SER 139.A O no hydrogen 3.124 N/A LYS 144.A N TYR 140.A O no hydrogen 2.982 N/A GLY 145.A N GLN 141.A O no hydrogen 2.978 N/A MET 146.A N VAL 142.A O no hydrogen 2.974 N/A ALA 147.A N ALA 143.A O no hydrogen 2.811 N/A PHE 148.A N LYS 144.A O no hydrogen 2.957 N/A LEU 149.A N GLY 145.A O no hydrogen 2.893 N/A ALA 150.A N MET 146.A O no hydrogen 2.698 N/A SER 151.A N ALA 147.A O no hydrogen 2.970 N/A SER 151.A OG ALA 147.A O no hydrogen 3.466 N/A SER 151.A OG PHE 148.A O no hydrogen 2.722 N/A LYS 152.A N PHE 148.A O no hydrogen 3.212 N/A LYS 152.A N LEU 149.A O no hydrogen 2.995 N/A ASN 153.A N ALA 150.A O no hydrogen 2.916 N/A CYS 154.A N LEU 149.A O no hydrogen 3.049 N/A CYS 154.A SG LYS 152.A O no hydrogen 3.661 N/A HIS 156.A N ASP 198.A OD2 no hydrogen 2.587 N/A HIS 156.A NE2 CYS 175.A O no hydrogen 2.806 N/A ARG 157.A N ASP 198.A OD1 no hydrogen 3.089 N/A ASP 158.A N HIS 156.A ND1 no hydrogen 3.074 N/A ALA 161.A N GLU 208.A OE1 no hydrogen 2.949 N/A ARG 162.A NH2 ASP 158.A OD1 no hydrogen 2.929 N/A ASN 163.A N ALA 160.A O no hydrogen 2.984 N/A ASN 163.A ND2 ASP 158.A O no hydrogen 2.797 N/A ILE 164.A N ALA 161.A O no hydrogen 3.122 N/A LEU 165.A N LYS 173.A O no hydrogen 2.840 N/A LEU 166.A N GLY 110.A O no hydrogen 2.901 N/A THR 167.A N ILE 171.A O no hydrogen 2.864 N/A HIS 168.A N THR 167.A OG1 no hydrogen 2.657 N/A THR 172.A N GLN 141.A OE1 no hydrogen 3.078 N/A LYS 173.A N LEU 165.A O no hydrogen 2.758 N/A LYS 173.A NZ GLU 85.A O no hydrogen 2.733 N/A LYS 173.A NZ ILE 87.A O no hydrogen 2.922 N/A LYS 173.A NZ GLU 105.A OE1 no hydrogen 2.894 N/A ILE 174.A N ASN 86.A O no hydrogen 2.862 N/A CYS 175.A N ASN 163.A O no hydrogen 3.316 N/A CYS 175.A SG ASN 163.A O no hydrogen 3.520 N/A LYS 181.A NZ PRO 216.A O no hydrogen 2.786 N/A LYS 181.A NZ TYR 217.A O no hydrogen 2.797 N/A LYS 181.A NZ MET 220.A O no hydrogen 2.880 N/A TRP 182.A N PRO 179.A O no hydrogen 2.877 N/A TRP 182.A NE1 GLU 208.A OE1 no hydrogen 2.837 N/A MET 183.A N VAL 180.A O no hydrogen 3.138 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.748 N/A SER 187.A OG VAL 192.A O no hydrogen 2.580 N/A ILE 188.A N ALA 184.A O no hydrogen 3.027 N/A PHE 189.A N PRO 185.A O no hydrogen 2.705 N/A ASN 190.A N GLU 186.A O no hydrogen 2.905 N/A SER 191.A N SER 187.A O no hydrogen 2.955 N/A VAL 192.A N GLU 186.A O no hydrogen 3.448 N/A THR 194.A N SER 197.A OG no hydrogen 2.705 N/A THR 194.A OG1 GLU 196.A OE1 no hydrogen 2.933 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.741 N/A SER 197.A N THR 194.A OG1 no hydrogen 3.054 N/A SER 197.A OG THR 194.A O no hydrogen 2.754 N/A ASP 198.A N THR 194.A O no hydrogen 3.209 N/A VAL 199.A N PHE 195.A O no hydrogen 3.229 N/A TRP 200.A N GLU 196.A O no hydrogen 3.144 N/A SER 201.A N SER 197.A O no hydrogen 3.143 N/A SER 201.A OG TRP 182.A O no hydrogen 2.644 N/A SER 201.A OG SER 197.A O no hydrogen 3.387 N/A TYR 202.A N ASP 198.A O no hydrogen 2.944 N/A TYR 202.A OH SER 139.A O no hydrogen 2.781 N/A GLY 203.A N VAL 199.A O no hydrogen 3.101 N/A ILE 204.A N TRP 200.A O no hydrogen 3.194 N/A PHE 205.A N SER 201.A O no hydrogen 2.900 N/A LEU 206.A N TYR 202.A O no hydrogen 2.916 N/A TRP 207.A N GLY 203.A O no hydrogen 3.171 N/A TRP 207.A NE1 SER 237.A O no hydrogen 2.963 N/A GLU 208.A N ILE 204.A O no hydrogen 2.992 N/A LEU 209.A N PHE 205.A O no hydrogen 2.797 N/A PHE 210.A N LEU 206.A O no hydrogen 3.002 N/A SER 211.A N TRP 207.A O no hydrogen 2.947 N/A SER 211.A OG TRP 207.A O no hydrogen 2.617 N/A SER 211.A OG GLU 208.A O no hydrogen 2.893 N/A LEU 212.A N LEU 209.A O no hydrogen 3.005 N/A GLY 213.A N GLU 208.A O no hydrogen 2.817 N/A SER 214.A N SER 211.A OG no hydrogen 3.322 N/A SER 214.A OG.B SER 211.A O no hydrogen 3.161 N/A MET 220.A N TYR 217.A O no hydrogen 3.037 N/A PHE 226.A N ASP 223.A OD1 no hydrogen 2.860 N/A TYR 227.A N ASP 223.A O no hydrogen 3.252 N/A LYS 228.A N SER 224.A O no hydrogen 3.042 N/A LYS 228.A NZ GLU 232.A OE2 no hydrogen 2.445 N/A MET 229.A N LYS 225.A O no hydrogen 2.914 N/A ILE 230.A N PHE 226.A O no hydrogen 2.926 N/A LYS 231.A N TYR 227.A O no hydrogen 2.917 N/A GLU 232.A N LYS 228.A O no hydrogen 2.884 N/A GLY 233.A N ILE 230.A O no hydrogen 3.168 N/A PHE 234.A N MET 229.A O no hydrogen 2.864 N/A ARG 235.A NE TRP 254.A O no hydrogen 2.640 N/A ARG 235.A NH1 ILE 230.A O no hydrogen 3.056 N/A ARG 235.A NH1 PHE 234.A O no hydrogen 2.931 N/A ARG 235.A NH2 TRP 254.A O no hydrogen 2.816 N/A SER 238.A OG PRO 239.A O no hydrogen 2.947 N/A ALA 242.A N PRO 239.A O no hydrogen 3.231 N/A GLU 245.A N GLU 245.A OE1.A no hydrogen 2.681 N/A MET 246.A N PRO 243.A O no hydrogen 2.924 N/A TYR 247.A N PRO 243.A O no hydrogen 2.980 N/A TYR 247.A OH MET 236.A O no hydrogen 2.684 N/A ASP 248.A N ALA 244.A O no hydrogen 2.922 N/A ILE 249.A N GLU 245.A O no hydrogen 3.371 N/A MET 250.A N MET 246.A O no hydrogen 3.117 N/A LYS 251.A N TYR 247.A O no hydrogen 2.950 N/A THR 252.A N ASP 248.A O no hydrogen 3.091 N/A THR 252.A OG1 ASP 248.A O no hydrogen 3.518 N/A THR 252.A OG1 ILE 249.A O no hydrogen 2.697 N/A CYS 253.A N ILE 249.A O no hydrogen 2.844 N/A CYS 253.A SG VAL 199.A O no hydrogen 3.586 N/A CYS 253.A SG ILE 249.A O no hydrogen 3.322 N/A TRP 254.A N MET 250.A O no hydrogen 3.046 N/A TRP 254.A N LYS 251.A O no hydrogen 3.179 N/A ASP 255.A N THR 252.A O no hydrogen 3.306 N/A ASP 257.A N ASP 255.A OD1 no hydrogen 2.923 N/A ASP 259.A N ASP 257.A OD1 no hydrogen 2.985 N/A LYS 260.A N ASP 257.A O no hydrogen 3.045 N/A ARG 261.A N PRO 258.A O no hydrogen 3.237 N/A ARG 261.A NE ASP 255.A O no hydrogen 2.898 N/A ARG 261.A NH1 GLU 186.A OE2 no hydrogen 2.649 N/A ARG 261.A NH1 GLU 196.A O no hydrogen 2.951 N/A ARG 261.A NH2 GLU 186.A OE1 no hydrogen 2.919 N/A ARG 261.A NH2 GLU 186.A OE2 no hydrogen 3.270 N/A ARG 261.A NH2 ASP 255.A O no hydrogen 3.195 N/A THR 263.A N GLN 266.A OE1 no hydrogen 2.930 N/A GLN 266.A N THR 263.A OG1 no hydrogen 3.183 N/A ILE 267.A N THR 263.A O no hydrogen 2.974 N/A VAL 268.A N PHE 264.A O no hydrogen 2.897 N/A GLN 269.A N LYS 265.A O no hydrogen 3.208 N/A ASP 270.A N GLN 266.A O no hydrogen 2.930 N/A ILE 271.A N ILE 267.A O no hydrogen 2.887 N/A GLU 272.A N VAL 268.A O no hydrogen 2.873 N/A LYS 273.A N GLN 269.A O no hydrogen 3.138 N/A GLN 274.A N ASP 270.A O no hydrogen 3.159 N/A GLN 274.A NE2 ASP 270.A OD1 no hydrogen 3.133 N/A ILE 275.A N ILE 271.A O no hydrogen 2.991 N/A SER 276.A N GLU 272.A O no hydrogen 3.349 N/A SER 276.A OG GLU 272.A O no hydrogen 3.325 N/A GLU 277.A N LYS 273.A O no hydrogen 3.346 N/A