Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xwk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 2.A N SER 26.A O no hydrogen 2.994 N/A ILE 3.A N ILE 63.A O no hydrogen 3.025 N/A LEU 4.A N GLU 28.A O no hydrogen 3.302 N/A GLY 5.A N TYR 61.A O no hydrogen 2.886 N/A TYR 6.A N LYS 30.A O no hydrogen 3.212 N/A ASP 8.A N TYR 32.A O no hydrogen 2.923 N/A ARG 10.A N PRO 206.A O no hydrogen 3.019 N/A ARG 10.A NE ASP 161.A OD1 no hydrogen 3.431 N/A ARG 10.A NH1 ASP 164.A OD2 no hydrogen 3.137 N/A ARG 10.A NH1 PRO 204.A O no hydrogen 3.261 N/A ARG 10.A NH2 ASP 161.A OD1 no hydrogen 3.065 N/A ARG 10.A NH2 ASP 164.A OD2 no hydrogen 2.637 N/A GLY 11.A N VAL 207.A O no hydrogen 3.073 N/A LEU 12.A N TYR 6.A OH no hydrogen 2.835 N/A ARG 17.A N ALA 13.A O no hydrogen 2.803 N/A ARG 17.A NE GLU 29.A OE1 no hydrogen 2.914 N/A ARG 17.A NH1 ILE 9.A O no hydrogen 2.796 N/A ARG 17.A NH2 ILE 9.A O no hydrogen 3.040 N/A ARG 17.A NH2 GLU 29.A OE1 no hydrogen 3.474 N/A LEU 18.A N HIS 14.A O no hydrogen 2.921 N/A LEU 19.A N ALA 15.A O no hydrogen 2.859 N/A LEU 20.A N ILE 16.A O no hydrogen 2.752 N/A GLU 21.A N ARG 17.A O no hydrogen 2.983 N/A TYR 22.A N LEU 18.A O no hydrogen 2.877 N/A THR 23.A N LEU 19.A O no hydrogen 2.953 N/A THR 23.A OG1 LEU 19.A O no hydrogen 3.001 N/A THR 23.A OG1 LEU 20.A O no hydrogen 3.190 N/A THR 23.A OG1 SER 25.A OG no hydrogen 2.649 N/A ASP 24.A N GLU 21.A O no hydrogen 3.059 N/A SER 25.A N LEU 20.A O no hydrogen 2.920 N/A SER 25.A OG THR 23.A OG1 no hydrogen 2.649 N/A TYR 27.A OH GLU 21.A OE2 no hydrogen 2.635 N/A GLU 28.A N MET 2.A O no hydrogen 2.834 N/A LYS 30.A N LEU 4.A O no hydrogen 2.941 N/A LYS 30.A NZ GLU 48.A OE2 no hydrogen 3.128 N/A LYS 31.A NZ GLU 29.A OE1 no hydrogen 3.366 N/A TYR 32.A N TYR 6.A O no hydrogen 2.838 N/A TYR 32.A OH GLU 48.A OE1 no hydrogen 2.839 N/A TYR 32.A OH TYR 61.A OH no hydrogen 2.876 N/A THR 33.A N GLN 44.A OE1 no hydrogen 3.298 N/A GLY 35.A N ASP 41.A O no hydrogen 2.904 N/A TYR 40.A N ASP 36.A O no hydrogen 3.183 N/A SER 43.A N ASP 41.A OD1 no hydrogen 3.434 N/A SER 43.A OG ASP 41.A OD1 no hydrogen 2.949 N/A SER 43.A OG ASP 41.A OD2 no hydrogen 2.744 N/A TRP 45.A N ARG 42.A O no hydrogen 2.907 N/A LEU 46.A N ARG 42.A O no hydrogen 3.134 N/A ASN 47.A N SER 43.A O no hydrogen 2.833 N/A GLU 48.A N TRP 45.A O no hydrogen 2.897 N/A LYS 49.A N TRP 45.A O no hydrogen 2.658 N/A LYS 51.A N GLU 48.A O no hydrogen 2.660 N/A LYS 51.A NZ ASN 47.A O no hydrogen 3.376 N/A LEU 59.A N ASN 58.A OD1 no hydrogen 2.741 N/A TYR 61.A N GLY 5.A O no hydrogen 3.190 N/A TYR 61.A OH TYR 32.A OH no hydrogen 2.876 N/A LEU 62.A N ILE 69.A O no hydrogen 2.729 N/A ILE 63.A N ILE 3.A O no hydrogen 3.045 N/A ASP 64.A N HIS 67.A O no hydrogen 2.805 N/A HIS 67.A N ASP 64.A O no hydrogen 3.064 N/A LYS 68.A NZ LEU 52.A O no hydrogen 3.217 N/A ILE 69.A N LEU 62.A O no hydrogen 2.755 N/A THR 70.A OG1 PHE 56.A O no hydrogen 3.474 N/A ASN 73.A ND2 GLU 100.A O no hydrogen 2.753 N/A ALA 74.A N GLN 71.A O no hydrogen 2.735 N/A ILE 75.A N GLN 71.A O no hydrogen 2.924 N/A LEU 76.A N SER 72.A O no hydrogen 2.836 N/A CYS 77.A N ASN 73.A O no hydrogen 3.195 N/A CYS 77.A SG ASN 73.A O no hydrogen 3.046 N/A CYS 77.A SG GLU 100.A OE2 no hydrogen 3.476 N/A TYR 78.A N ALA 74.A O no hydrogen 3.180 N/A TYR 78.A OH ASP 64.A OD2 no hydrogen 2.881 N/A TYR 78.A OH HIS 67.A ND1 no hydrogen 3.130 N/A ILE 79.A N ILE 75.A O no hydrogen 3.196 N/A ALA 80.A N LEU 76.A O no hydrogen 2.680 N/A ARG 81.A N CYS 77.A O no hydrogen 2.746 N/A LYS 82.A N ILE 79.A O no hydrogen 2.933 N/A LYS 82.A NZ TYR 78.A OH no hydrogen 3.442 N/A HIS 83.A N ALA 80.A O no hydrogen 2.982 N/A LEU 85.A N ALA 80.A O no hydrogen 2.936 N/A GLU 88.A N GLU 92.A OE2 no hydrogen 2.940 N/A GLU 92.A N THR 89.A OG1 no hydrogen 3.143 N/A LYS 93.A N THR 89.A O no hydrogen 3.211 N/A ILE 94.A N GLU 90.A O no hydrogen 3.102 N/A ILE 94.A N GLU 91.A O no hydrogen 3.242 N/A ARG 95.A N GLU 91.A O no hydrogen 3.067 N/A ARG 95.A NE PHE 147.A O no hydrogen 2.643 N/A ARG 95.A NH2 PHE 140.A O no hydrogen 3.036 N/A ARG 95.A NH2 PHE 147.A O no hydrogen 3.125 N/A VAL 96.A N GLU 92.A O no hydrogen 2.845 N/A ASP 97.A N LYS 93.A O no hydrogen 3.024 N/A ILE 98.A N ILE 94.A O no hydrogen 2.827 N/A LEU 99.A N ARG 95.A O no hydrogen 2.895 N/A GLU 100.A N VAL 96.A O no hydrogen 2.691 N/A ASN 101.A N ASP 97.A O no hydrogen 3.374 N/A ASN 101.A N ILE 98.A O no hydrogen 3.214 N/A ASN 101.A ND2 ASP 97.A O no hydrogen 2.790 N/A GLN 102.A N ILE 98.A O no hydrogen 2.804 N/A GLN 102.A NE2 ASN 106.A OD1 no hydrogen 3.491 N/A THR 103.A N LEU 99.A O no hydrogen 2.925 N/A THR 103.A OG1 LEU 99.A O no hydrogen 3.287 N/A ASP 105.A N ASN 101.A O no hydrogen 3.012 N/A ASN 106.A N GLN 102.A O no hydrogen 2.994 N/A ASN 106.A ND2 GLN 109.A OE1 no hydrogen 3.052 N/A HIS 107.A N THR 103.A O no hydrogen 2.785 N/A MET 108.A N MET 104.A O no hydrogen 3.122 N/A GLN 109.A N ASP 105.A O no hydrogen 2.946 N/A LEU 110.A N ASN 106.A O no hydrogen 3.439 N/A GLY 111.A N HIS 107.A O no hydrogen 2.924 N/A MET 112.A N MET 108.A O no hydrogen 2.847 N/A ILE 113.A N GLN 109.A O no hydrogen 3.465 N/A CYS 114.A N LEU 110.A O no hydrogen 2.903 N/A CYS 114.A SG LEU 110.A O no hydrogen 3.442 N/A TYR 115.A OH SER 209.A OG no hydrogen 3.054 N/A ASN 116.A N ILE 113.A O no hydrogen 2.938 N/A GLU 118.A N ASN 116.A OD1 no hydrogen 2.883 N/A PHE 119.A N ASN 116.A O no hydrogen 2.793 N/A LYS 121.A N GLU 118.A O no hydrogen 2.796 N/A LYS 121.A NZ GLU 118.A OE2 no hydrogen 3.065 N/A LEU 122.A N GLU 118.A O no hydrogen 3.118 N/A LYS 123.A N PHE 119.A O no hydrogen 2.822 N/A LYS 125.A NZ GLU 129.A OE1 no hydrogen 3.289 N/A LYS 125.A NZ GLU 129.A OE2 no hydrogen 2.837 N/A TYR 126.A N LEU 122.A O no hydrogen 3.375 N/A TYR 126.A OH HIS 166.A NE2 no hydrogen 3.108 N/A LEU 127.A N LYS 123.A O no hydrogen 3.063 N/A GLU 128.A N PRO 124.A O no hydrogen 3.228 N/A GLU 129.A N LYS 125.A O no hydrogen 3.089 N/A GLU 129.A N TYR 126.A O no hydrogen 3.282 N/A LEU 130.A N TYR 126.A O no hydrogen 3.036 N/A GLU 132.A N GLU 129.A O no hydrogen 3.120 N/A LYS 133.A NZ GLN 109.A OE1 no hydrogen 2.688 N/A LEU 134.A N LEU 130.A O no hydrogen 3.036 N/A LYS 135.A N PRO 131.A O no hydrogen 2.876 N/A LYS 135.A NZ GLU 132.A OE1 no hydrogen 2.665 N/A LYS 135.A NZ GLU 132.A OE2 no hydrogen 2.951 N/A LEU 136.A N GLU 132.A O no hydrogen 3.009 N/A TYR 137.A N LYS 133.A O no hydrogen 3.474 N/A TYR 137.A OH ASN 106.A OD1 no hydrogen 2.688 N/A SER 138.A N LEU 134.A O no hydrogen 2.979 N/A SER 138.A OG ASN 179.A OD1 no hydrogen 3.319 N/A GLU 139.A N LYS 135.A O no hydrogen 2.728 N/A PHE 140.A N LEU 136.A O no hydrogen 2.804 N/A LEU 141.A N TYR 137.A O no hydrogen 2.905 N/A GLY 142.A N SER 138.A O no hydrogen 2.748 N/A ARG 144.A N LEU 141.A O no hydrogen 3.082 N/A ARG 144.A NH1 LEU 141.A O no hydrogen 3.049 N/A TRP 146.A N GLY 149.A O no hydrogen 3.250 N/A PHE 147.A N ASP 156.A OD1 no hydrogen 2.882 N/A THR 153.A N ASP 156.A OD2 no hydrogen 2.812 N/A THR 153.A OG1 ASP 156.A OD2 no hydrogen 3.318 N/A PHE 154.A N LEU 85.A O no hydrogen 3.044 N/A ASP 156.A N THR 153.A O no hydrogen 2.955 N/A PHE 157.A N PHE 154.A O no hydrogen 3.136 N/A VAL 159.A N VAL 155.A O no hydrogen 2.901 N/A TYR 160.A N ASP 156.A O no hydrogen 2.975 N/A TYR 160.A OH GLU 188.A OE2 no hydrogen 2.645 N/A ASP 161.A N PHE 157.A O no hydrogen 3.094 N/A VAL 162.A N LEU 158.A O no hydrogen 3.193 N/A LEU 163.A N VAL 159.A O no hydrogen 2.816 N/A ASP 164.A N TYR 160.A O no hydrogen 2.601 N/A LEU 165.A N ASP 161.A O no hydrogen 2.830 N/A HIS 166.A N VAL 162.A O no hydrogen 3.217 N/A HIS 166.A N LEU 163.A O no hydrogen 3.121 N/A HIS 166.A ND1 VAL 162.A O no hydrogen 2.602 N/A HIS 166.A NE2 TYR 126.A OH no hydrogen 3.108 N/A ARG 167.A N LEU 163.A O no hydrogen 3.215 N/A ARG 167.A N ASP 164.A O no hydrogen 2.879 N/A ARG 167.A NH1 ASP 164.A OD1 no hydrogen 3.063 N/A ARG 167.A NH1 GLU 188.A OE2 no hydrogen 3.220 N/A ILE 168.A N ASP 164.A O no hydrogen 3.135 N/A PHE 169.A N LEU 165.A O no hydrogen 3.100 N/A GLU 170.A N HIS 166.A O no hydrogen 2.801 N/A LYS 172.A N GLU 170.A OE2 no hydrogen 3.088 N/A CYS 173.A N GLU 170.A O no hydrogen 3.010 N/A CYS 173.A SG HIS 166.A O no hydrogen 3.115 N/A CYS 173.A SG GLU 170.A O no hydrogen 2.892 N/A ASP 175.A N LYS 172.A O no hydrogen 3.017 N/A PHE 177.A N LEU 174.A O no hydrogen 3.056 N/A ASN 179.A ND2 SER 138.A OG no hydrogen 3.132 N/A LEU 180.A N PHE 177.A O no hydrogen 2.975 N/A LYS 181.A N PHE 177.A O no hydrogen 3.147 N/A LYS 181.A NZ ASP 175.A OD1 no hydrogen 3.205 N/A ASP 182.A N PRO 178.A O no hydrogen 2.819 N/A PHE 183.A N ASN 179.A O no hydrogen 2.893 N/A ILE 184.A N LEU 180.A O no hydrogen 3.002 N/A SER 185.A N LYS 181.A O no hydrogen 2.932 N/A SER 185.A OG LYS 181.A O no hydrogen 3.251 N/A ARG 186.A N ASP 182.A O no hydrogen 2.666 N/A ARG 186.A NE PRO 145.A O no hydrogen 2.888 N/A ARG 186.A NH2 PRO 145.A O no hydrogen 3.259 N/A PHE 187.A N PHE 183.A O no hydrogen 2.781 N/A GLU 188.A N ILE 184.A O no hydrogen 2.902 N/A GLY 189.A N SER 185.A O no hydrogen 2.699 N/A LEU 190.A N PHE 187.A O no hydrogen 3.199 N/A LYS 192.A NZ GLU 191.A OE1 no hydrogen 3.555 N/A SER 194.A N LEU 190.A O no hydrogen 2.651 N/A ALA 195.A N GLU 191.A O no hydrogen 3.037 N/A TYR 196.A N LYS 192.A O no hydrogen 3.184 N/A MET 197.A N ILE 193.A O no hydrogen 2.937 N/A LYS 198.A N SER 194.A O no hydrogen 3.187 N/A LYS 198.A N ALA 195.A O no hydrogen 3.147 N/A SER 199.A N TYR 196.A O no hydrogen 2.953 N/A SER 199.A OG TYR 196.A O no hydrogen 2.693 N/A ARG 201.A N SER 199.A OG no hydrogen 3.367 N/A ARG 201.A NE GLU 21.A OE2 no hydrogen 3.133 N/A ARG 201.A NH2 GLU 21.A OE1 no hydrogen 3.123 N/A PHE 208.A N GLY 215.A O no hydrogen 2.903 N/A SER 209.A N TYR 115.A OH no hydrogen 3.164 N/A SER 209.A OG TYR 115.A OH no hydrogen 3.054 N/A LYS 210.A NZ MET 34.A O no hydrogen 2.770 N/A LYS 210.A NZ ASP 36.A OD2 no hydrogen 3.450 N/A ALA 212.A N SER 209.A O no hydrogen 3.099 N/A VAL 213.A N CYS 114.A O no hydrogen 2.694 N/A TRP 214.A N CYS 114.A O no hydrogen 3.301 N/A