Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5k3l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 5.A OE2 no hydrogen 2.918 N/A THR 4.A N SER 2.A OG no hydrogen 2.997 N/A ILE 6.A N SER 2.A O no hydrogen 2.975 N/A GLU 7.A N LEU 3.A O no hydrogen 2.993 N/A HIS 8.A N THR 4.A O no hydrogen 2.591 N/A LEU 9.A N GLU 5.A O no hydrogen 3.175 N/A VAL 10.A N ILE 6.A O no hydrogen 3.122 N/A GLN 11.A N GLU 7.A O no hydrogen 2.717 N/A SER 12.A N HIS 8.A O no hydrogen 2.796 N/A VAL 13.A N LEU 9.A O no hydrogen 2.979 N/A CYS 14.A N VAL 10.A O no hydrogen 3.209 N/A CYS 14.A SG VAL 10.A O no hydrogen 3.102 N/A LYS 15.A N GLN 11.A O no hydrogen 3.174 N/A LYS 15.A NZ GLU 19.A OE2 no hydrogen 3.303 N/A SER 16.A N SER 12.A O no hydrogen 3.091 N/A SER 16.A OG SER 12.A O no hydrogen 3.313 N/A TYR 17.A N VAL 13.A O no hydrogen 3.420 N/A ARG 18.A N CYS 14.A O no hydrogen 3.323 N/A THR 20.A N SER 16.A O no hydrogen 3.179 N/A THR 20.A OG1 SER 16.A O no hydrogen 2.636 N/A THR 20.A OG1 TYR 17.A O no hydrogen 3.516 N/A CYS 21.A N TYR 17.A O no hydrogen 2.234 N/A CYS 21.A SG TYR 17.A O no hydrogen 3.104 N/A CYS 21.A SG ARG 18.A O no hydrogen 3.645 N/A LEU 28.A N ARG 24.A O no hydrogen 2.849 N/A LEU 29.A N LEU 25.A O no hydrogen 2.915 N/A ARG 30.A N GLU 26.A O no hydrogen 2.750 N/A GLN 31.A N ASP 27.A O no hydrogen 2.625 N/A ARG 32.A N LEU 29.A O no hydrogen 3.230 N/A PHE 36.A N TYR 118.A O no hydrogen 3.104 N/A GLU 39.A N GLU 39.A OE2 no hydrogen 2.384 N/A VAL 41.A N SER 37.A O no hydrogen 2.650 N/A THR 42.A N ARG 38.A O no hydrogen 3.185 N/A THR 42.A OG1 ARG 38.A O no hydrogen 2.367 N/A TYR 44.A N VAL 41.A O no hydrogen 2.810 N/A TYR 44.A OH GLU 115.A OE1 no hydrogen 2.544 N/A GLN 45.A NE2 GLU 122.A O no hydrogen 3.480 N/A GLU 51.A N SER 48.A O no hydrogen 2.911 N/A TRP 53.A N MET 49.A O no hydrogen 3.108 N/A ARG 55.A N GLU 51.A O no hydrogen 2.962 N/A ARG 55.A NE GLU 51.A OE2 no hydrogen 3.241 N/A ARG 55.A NH2 GLU 51.A OE2 no hydrogen 2.894 N/A CYS 56.A N MET 52.A O no hydrogen 2.469 N/A CYS 56.A SG MET 52.A O no hydrogen 3.088 N/A ALA 57.A N TRP 53.A O no hydrogen 2.623 N/A HIS 58.A N GLU 54.A O no hydrogen 2.671 N/A HIS 59.A N ARG 55.A O no hydrogen 3.164 N/A HIS 59.A NE2 GLU 115.A OE2 no hydrogen 3.256 N/A LEU 60.A N CYS 56.A O no hydrogen 2.828 N/A THR 61.A N ALA 57.A O no hydrogen 3.007 N/A THR 61.A OG1 ALA 57.A O no hydrogen 2.295 N/A GLU 62.A N HIS 58.A O no hydrogen 2.782 N/A ALA 63.A N HIS 59.A O no hydrogen 2.381 N/A ILE 64.A N LEU 60.A O no hydrogen 2.579 N/A GLN 65.A N THR 61.A O no hydrogen 2.891 N/A TYR 66.A N ALA 63.A O no hydrogen 3.027 N/A VAL 67.A N ILE 64.A O no hydrogen 2.653 N/A VAL 68.A N ILE 64.A O no hydrogen 3.036 N/A ALA 71.A N VAL 67.A O no hydrogen 3.056 N/A LYS 72.A N GLU 69.A O no hydrogen 2.866 N/A ARG 73.A N PHE 70.A O no hydrogen 3.381 N/A ARG 73.A NH2 GLU 69.A OE2 no hydrogen 3.134 N/A PHE 77.A N LEU 74.A O no hydrogen 3.104 N/A LEU 80.A N GLN 85.A OE1 no hydrogen 3.299 N/A CYS 81.A N GLU 171.A OE1 no hydrogen 3.155 N/A GLN 85.A N GLN 82.A O no hydrogen 2.982 N/A ILE 86.A N GLN 82.A O no hydrogen 2.735 N/A ILE 86.A N ASN 83.A O no hydrogen 3.207 N/A VAL 87.A N ASN 83.A O no hydrogen 2.926 N/A LYS 90.A N ILE 86.A O no hydrogen 3.374 N/A GLY 92.A N LEU 88.A O no hydrogen 2.800 N/A ALA 93.A N LEU 89.A O no hydrogen 2.720 N/A VAL 96.A N GLY 92.A O no hydrogen 3.331 N/A VAL 97.A N ALA 93.A O no hydrogen 3.396 N/A VAL 97.A N MET 94.A O no hydrogen 3.106 N/A VAL 99.A N GLU 95.A O no hydrogen 3.373 N/A ARG 100.A N VAL 96.A O no hydrogen 3.086 N/A MET 101.A N VAL 97.A O no hydrogen 3.009 N/A CYS 102.A N VAL 99.A O no hydrogen 2.706 N/A CYS 102.A SG VAL 99.A O no hydrogen 3.279 N/A ARG 103.A NH2 LEU 23.A O no hydrogen 2.286 N/A TYR 105.A N CYS 102.A O no hydrogen 3.075 N/A TYR 105.A OH HIS 141.A ND1 no hydrogen 3.425 N/A ASN 106.A N THR 111.A O no hydrogen 2.933 N/A ASN 109.A N ASN 106.A O no hydrogen 3.174 N/A THR 111.A N ASN 106.A O no hydrogen 3.302 N/A THR 111.A OG1 ASN 109.A OD1 no hydrogen 2.321 N/A VAL 112.A N GLY 119.A O no hydrogen 3.080 N/A PHE 113.A N ALA 104.A O no hydrogen 3.107 N/A PHE 114.A N LYS 117.A O no hydrogen 2.575 N/A LYS 117.A N PHE 114.A O no hydrogen 3.221 N/A LYS 117.A NZ GLU 40.A OE1 no hydrogen 3.403 N/A LYS 117.A NZ GLU 40.A OE2 no hydrogen 2.380 N/A GLY 119.A N VAL 112.A O no hydrogen 2.818 N/A GLU 122.A N GLU 122.A OE1 no hydrogen 2.633 N/A LEU 123.A N GLY 120.A O no hydrogen 3.269 N/A PHE 124.A N MET 121.A O no hydrogen 3.270 N/A SER 130.A OG GLU 131.A OE2 no hydrogen 2.741 N/A GLU 131.A N GLU 131.A OE2 no hydrogen 2.384 N/A ILE 133.A N CYS 129.A O no hydrogen 3.077 N/A SER 134.A N SER 130.A O no hydrogen 2.449 N/A SER 134.A OG SER 130.A O no hydrogen 3.118 N/A SER 134.A OG GLU 131.A O no hydrogen 2.866 N/A SER 135.A N GLU 131.A O no hydrogen 2.883 N/A SER 135.A OG GLU 131.A O no hydrogen 3.197 N/A SER 135.A OG LEU 132.A O no hydrogen 2.728 N/A ILE 136.A N LEU 132.A O no hydrogen 3.136 N/A PHE 137.A N ILE 133.A O no hydrogen 2.996 N/A ASP 138.A N SER 134.A O no hydrogen 2.734 N/A PHE 139.A N SER 135.A O no hydrogen 2.986 N/A SER 140.A N ILE 136.A O no hydrogen 2.999 N/A HIS 141.A N PHE 137.A O no hydrogen 2.782 N/A SER 142.A N ASP 138.A O no hydrogen 2.727 N/A SER 142.A N PHE 139.A O no hydrogen 2.876 N/A SER 142.A OG ASP 138.A O no hydrogen 2.508 N/A LEU 143.A N SER 140.A O no hydrogen 3.134 N/A SER 144.A N SER 140.A O no hydrogen 3.151 N/A ALA 145.A N HIS 141.A O no hydrogen 3.377 N/A HIS 147.A N SER 144.A O no hydrogen 3.056 N/A SER 149.A N GLU 152.A OE1 no hydrogen 2.592 N/A GLU 152.A N SER 149.A O no hydrogen 2.897 N/A GLU 152.A N SER 149.A OG no hydrogen 3.216 N/A ILE 153.A N SER 149.A O no hydrogen 3.036 N/A ALA 154.A N GLU 150.A O no hydrogen 3.029 N/A LEU 155.A N ASP 151.A O no hydrogen 3.290 N/A TYR 156.A N GLU 152.A O no hydrogen 2.963 N/A TYR 156.A N ILE 153.A O no hydrogen 3.138 N/A THR 157.A N ILE 153.A O no hydrogen 2.755 N/A THR 157.A OG1 ILE 153.A O no hydrogen 2.620 N/A THR 157.A OG1 ALA 154.A O no hydrogen 3.394 N/A ALA 158.A N ALA 154.A O no hydrogen 3.315 N/A LEU 159.A N TYR 156.A O no hydrogen 3.005 N/A VAL 160.A N TYR 156.A O no hydrogen 2.993 N/A VAL 160.A N THR 157.A O no hydrogen 3.106 N/A LEU 161.A N THR 157.A O no hydrogen 3.349 N/A ILE 162.A N ALA 158.A O no hydrogen 3.295 N/A ASN 163.A N LEU 161.A O no hydrogen 2.644 N/A ALA 164.A N GLN 179.A OE1 no hydrogen 2.987 N/A HIS 165.A N ASN 163.A OD1 no hydrogen 2.689 N/A ARG 166.A NH2 GLU 95.A OE2 no hydrogen 3.336 N/A GLN 170.A N ASP 84.A OD1 no hydrogen 2.793 N/A GLN 170.A N ASP 84.A OD2 no hydrogen 2.615 N/A GLU 171.A N ASP 84.A OD2 no hydrogen 2.387 N/A LYS 172.A NZ GLU 176.A OE2 no hydrogen 2.403 N/A VAL 175.A N LYS 172.A O no hydrogen 2.639 N/A GLU 176.A N LYS 172.A O no hydrogen 3.130 N/A GLN 177.A NE2 ASN 181.A OD1 no hydrogen 2.648 N/A GLN 179.A N VAL 175.A O no hydrogen 2.924 N/A TYR 180.A N GLU 176.A O no hydrogen 2.699 N/A ASN 181.A N GLN 177.A O no hydrogen 3.095 N/A LEU 182.A N GLN 179.A O no hydrogen 3.101 N/A GLU 183.A N GLN 179.A O no hydrogen 2.883 N/A LEU 184.A N TYR 180.A O no hydrogen 3.038 N/A ALA 185.A N ASN 181.A O no hydrogen 3.125 N/A PHE 186.A N LEU 182.A O no hydrogen 2.888 N/A HIS 187.A N GLU 183.A O no hydrogen 2.862 N/A HIS 187.A ND1 GLU 183.A O no hydrogen 2.961 N/A HIS 188.A N LEU 184.A O no hydrogen 2.773 N/A HIS 189.A N ALA 185.A O no hydrogen 3.317 N/A LEU 190.A N PHE 186.A O no hydrogen 3.139 N/A CYS 191.A N HIS 187.A O no hydrogen 2.854 N/A CYS 191.A SG HIS 187.A O no hydrogen 3.083 N/A LYS 192.A N HIS 188.A O no hydrogen 3.061 N/A THR 193.A N LEU 190.A O no hydrogen 3.331 N/A THR 193.A OG1 HIS 189.A O no hydrogen 2.411 N/A THR 193.A OG1 LEU 190.A O no hydrogen 3.097 N/A HIS 194.A N CYS 191.A O no hydrogen 3.024 N/A ARG 195.A N LEU 190.A O no hydrogen 3.110 N/A ARG 195.A NH2 LEU 146.A O no hydrogen 3.022 N/A GLN 196.A N GLN 196.A OE1 no hydrogen 2.544 N/A ILE 198.A N ARG 195.A O no hydrogen 3.220 N/A LEU 199.A N GLN 196.A O no hydrogen 3.267 N/A SER 210.A N GLY 206.A O no hydrogen 3.364 N/A SER 210.A OG GLY 206.A O no hydrogen 3.273 N/A LEU 211.A N LEU 208.A O no hydrogen 3.384 N/A CYS 212.A SG LEU 208.A O no hydrogen 3.565 N/A CYS 212.A SG ARG 209.A O no hydrogen 3.811 N/A SER 213.A N ARG 209.A O no hydrogen 3.053 N/A HIS 215.A N LEU 211.A O no hydrogen 3.134 N/A HIS 215.A N CYS 212.A O no hydrogen 3.027 N/A VAL 216.A N CYS 212.A O no hydrogen 2.552 N/A LEU 219.A N HIS 215.A O no hydrogen 3.066 N/A GLN 220.A N VAL 216.A O no hydrogen 2.958 N/A ILE 221.A N GLU 217.A O no hydrogen 2.734 N/A GLN 223.A N LEU 219.A O no hydrogen 2.878 N/A HIS 224.A N LEU 219.A O no hydrogen 3.043 N/A