Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xkl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N HIS 30.A ND1 no hydrogen 2.720 N/A LYS 3.A NZ ALA 245.A O no hydrogen 3.055 N/A HIS 4.A ND1 GLU 69.A OE1 no hydrogen 3.213 N/A HIS 4.A NE2 THR 33.A OG1 no hydrogen 2.741 N/A PHE 5.A N LYS 31.A O no hydrogen 2.825 N/A VAL 6.A N ILE 72.A O no hydrogen 2.848 N/A LEU 7.A N THR 33.A O no hydrogen 2.878 N/A VAL 8.A N VAL 74.A O no hydrogen 2.716 N/A HIS 9.A ND1 GLY 10.A O no hydrogen 2.713 N/A CYS 12.A SG SER 171.A OG no hydrogen 3.754 N/A HIS 13.A N GLY 10.A O no hydrogen 3.329 N/A HIS 13.A ND1 ALA 11.A O no hydrogen 2.922 N/A HIS 13.A NE2 TYR 153.A OH no hydrogen 2.693 N/A GLY 15.A N ASP 36.A OD2 no hydrogen 2.699 N/A SER 17.A N GLY 14.A O no hydrogen 2.936 N/A SER 17.A OG GLY 14.A O no hydrogen 2.770 N/A TRP 18.A N GLY 15.A O no hydrogen 3.041 N/A TYR 19.A N TRP 16.A O no hydrogen 2.973 N/A TYR 19.A OH ASP 160.A OD2 no hydrogen 2.785 N/A LYS 20.A NZ ASP 160.A OD1 no hydrogen 2.604 N/A LYS 20.A NZ ASP 160.A OD2 no hydrogen 3.166 N/A LYS 20.A NZ LEU 231.A O no hydrogen 3.201 N/A LYS 22.A N TRP 18.A O no hydrogen 2.861 N/A LYS 22.A NZ GLU 26.A OE2 no hydrogen 3.009 N/A LEU 25.A N LEU 21.A O no hydrogen 3.214 N/A GLU 26.A N LYS 22.A O no hydrogen 3.075 N/A ALA 27.A N PRO 23.A O no hydrogen 2.762 N/A ALA 28.A N LEU 24.A O no hydrogen 3.263 N/A ALA 28.A N LEU 25.A O no hydrogen 3.101 N/A GLY 29.A N GLU 26.A O no hydrogen 2.783 N/A HIS 30.A N LEU 25.A O no hydrogen 3.171 N/A LYS 31.A N LYS 3.A O no hydrogen 2.969 N/A THR 33.A N PHE 5.A O no hydrogen 2.876 N/A THR 33.A OG1 HIS 4.A NE2 no hydrogen 2.741 N/A LEU 37.A N HIS 9.A NE2 no hydrogen 2.937 N/A ALA 38.A N TYR 56.A O no hydrogen 3.075 N/A ALA 39.A N ASP 43.A OD2 no hydrogen 2.776 N/A SER 40.A N LEU 37.A O no hydrogen 3.246 N/A SER 40.A OG ALA 38.A O no hydrogen 2.917 N/A THR 42.A N ASP 36.A OD1 no hydrogen 2.947 N/A THR 42.A OG1 ASP 36.A OD1 no hydrogen 3.299 N/A ASP 43.A N SER 40.A O no hydrogen 2.959 N/A ARG 45.A N ASP 43.A OD2 no hydrogen 3.116 N/A ARG 45.A NE ASP 43.A OD1 no hydrogen 3.420 N/A ARG 45.A NE ASP 43.A OD2 no hydrogen 2.766 N/A ARG 45.A NH2 ASP 43.A OD1 no hydrogen 2.630 N/A ARG 45.A NH2 ASP 43.A OD2 no hydrogen 3.488 N/A LYS 46.A N GLU 49.A OE2 no hydrogen 2.832 N/A GLU 48.A N GLU 48.A OE2 no hydrogen 2.797 N/A GLU 49.A N LYS 46.A O no hydrogen 2.897 N/A LEU 50.A N ILE 47.A O no hydrogen 3.066 N/A ARG 51.A N ASP 55.A OD2 no hydrogen 3.411 N/A ARG 51.A NH2 GLU 48.A O no hydrogen 3.298 N/A LEU 53.A N ASP 176.A OD2 no hydrogen 2.895 N/A ASP 55.A N THR 52.A OG1 no hydrogen 3.188 N/A TYR 56.A N THR 52.A O no hydrogen 3.331 N/A THR 57.A N LEU 53.A O no hydrogen 2.908 N/A THR 57.A OG1 LEU 53.A O no hydrogen 2.712 N/A LEU 62.A N PRO 59.A O no hydrogen 3.054 N/A SER 64.A N LEU 62.A O no hydrogen 3.108 N/A SER 64.A OG GLU 61.A O no hydrogen 3.494 N/A SER 66.A N GLU 69.A OE2 no hydrogen 3.480 N/A SER 66.A OG GLU 69.A OE2 no hydrogen 3.250 N/A VAL 71.A N LYS 91.A O no hydrogen 2.923 N/A ILE 72.A N HIS 4.A O no hydrogen 2.799 N/A LEU 73.A N ALA 94.A O no hydrogen 3.248 N/A VAL 74.A N VAL 6.A O no hydrogen 2.862 N/A GLY 75.A N VAL 96.A O no hydrogen 2.796 N/A HIS 76.A N VAL 8.A O no hydrogen 2.893 N/A HIS 76.A NE2 HIS 229.A O no hydrogen 2.893 N/A SER 77.A N LEU 98.A O no hydrogen 3.293 N/A SER 77.A OG HIS 229.A NE2 no hydrogen 2.771 N/A GLY 79.A N HIS 76.A O no hydrogen 2.649 N/A GLY 80.A N SER 77.A O no hydrogen 3.175 N/A ASN 81.A ND2 THR 57.A OG1 no hydrogen 2.812 N/A LEU 82.A N GLY 79.A O no hydrogen 2.898 N/A GLY 83.A N GLY 80.A O no hydrogen 3.328 N/A LEU 84.A N ASN 81.A O no hydrogen 3.209 N/A LYS 87.A N LEU 84.A O no hydrogen 3.015 N/A TYR 88.A N ALA 85.A O no hydrogen 2.739 N/A GLN 90.A N GLN 90.A OE1 no hydrogen 2.527 N/A LYS 91.A N TYR 88.A O no hydrogen 3.236 N/A LYS 91.A NZ LEU 65.A O no hydrogen 3.472 N/A TYR 93.A N VAL 71.A O no hydrogen 2.913 N/A ALA 95.A N LYS 192.A O no hydrogen 2.816 N/A VAL 96.A N LEU 73.A O no hydrogen 2.725 N/A PHE 97.A N VAL 194.A O no hydrogen 2.697 N/A LEU 98.A N GLY 75.A O no hydrogen 2.856 N/A ALA 99.A N ILE 196.A O no hydrogen 3.041 N/A PHE 101.A N SER 77.A O no hydrogen 3.001 N/A HIS 106.A N ASP 103.A OD2 no hydrogen 3.083 N/A HIS 106.A ND1 ASP 103.A OD1 no hydrogen 2.636 N/A ASN 107.A ND2 SER 178.A O no hydrogen 3.446 N/A SER 108.A OG ALA 180.A O no hydrogen 2.926 N/A PHE 110.A N ASN 107.A O no hydrogen 2.761 N/A GLU 113.A N SER 109.A O no hydrogen 2.808 N/A GLN 114.A N PHE 110.A O no hydrogen 2.857 N/A TYR 115.A N VAL 111.A O no hydrogen 2.928 N/A TYR 115.A OH GLY 203.A O no hydrogen 2.618 N/A ASN 116.A N LEU 112.A O no hydrogen 3.136 N/A GLU 117.A N GLU 113.A O no hydrogen 3.029 N/A ARG 118.A N GLN 114.A O no hydrogen 3.104 N/A ARG 118.A N TYR 115.A O no hydrogen 3.162 N/A THR 119.A N ASN 116.A O no hydrogen 3.305 N/A THR 119.A OG1 TYR 115.A O no hydrogen 2.898 N/A ASN 123.A N PRO 120.A O no hydrogen 2.861 N/A ASN 123.A ND2 LYS 202.A O no hydrogen 3.522 N/A LEU 125.A N GLU 122.A O no hydrogen 3.370 N/A THR 127.A N TRP 124.A O no hydrogen 2.919 N/A THR 127.A OG1 TRP 124.A O no hydrogen 2.722 N/A GLN 128.A N PHE 142.A O no hydrogen 2.855 N/A LEU 130.A N SER 141.A O no hydrogen 3.145 N/A TYR 132.A N LEU 139.A O no hydrogen 2.886 N/A TYR 132.A OH LEU 50.A O no hydrogen 2.498 N/A GLU 137.A N SER 134.A O no hydrogen 2.840 N/A SER 141.A N LEU 130.A O no hydrogen 2.696 N/A SER 141.A OG LEU 130.A O no hydrogen 3.070 N/A LYS 146.A N ASP 126.A OD1 no hydrogen 2.793 N/A PHE 147.A N ASP 126.A OD2 no hydrogen 2.940 N/A LEU 148.A N GLY 144.A O no hydrogen 3.064 N/A ALA 149.A N PRO 145.A O no hydrogen 3.000 N/A HIS 150.A N LYS 146.A O no hydrogen 2.851 N/A LYS 151.A N PHE 147.A O no hydrogen 2.908 N/A LYS 151.A NZ ASN 123.A OD1 no hydrogen 2.841 N/A LEU 152.A N LEU 148.A O no hydrogen 3.169 N/A TYR 153.A N LEU 148.A O no hydrogen 2.637 N/A TYR 153.A OH HIS 13.A NE2 no hydrogen 2.693 N/A GLN 154.A N GLN 154.A OE1 no hydrogen 3.012 N/A GLN 154.A NE2 GLU 200.A O no hydrogen 2.720 N/A LEU 155.A N ASP 228.A OD2 no hydrogen 3.022 N/A CYS 156.A N TYR 153.A O no hydrogen 2.891 N/A CYS 156.A SG ASP 228.A OD1 no hydrogen 3.608 N/A CYS 156.A SG ASP 228.A OD2 no hydrogen 3.135 N/A SER 157.A OG GLU 159.A OE1 no hydrogen 3.212 N/A SER 157.A OG ASP 160.A OD1 no hydrogen 2.726 N/A ASP 160.A N SER 157.A OG no hydrogen 3.338 N/A LEU 161.A N SER 157.A O no hydrogen 3.310 N/A ALA 162.A N PRO 158.A O no hydrogen 3.069 N/A LEU 163.A N GLU 159.A O no hydrogen 2.882 N/A ALA 164.A N ASP 160.A O no hydrogen 2.853 N/A SER 165.A N LEU 161.A O no hydrogen 2.850 N/A SER 165.A OG LEU 161.A O no hydrogen 3.120 N/A SER 166.A N ALA 162.A O no hydrogen 3.324 N/A SER 166.A N LEU 163.A O no hydrogen 3.150 N/A SER 166.A OG ALA 162.A O no hydrogen 3.549 N/A SER 166.A OG LEU 163.A O no hydrogen 2.985 N/A LEU 167.A N ALA 164.A O no hydrogen 3.023 N/A VAL 168.A N ALA 164.A O no hydrogen 2.879 N/A ARG 169.A N CYS 12.A O no hydrogen 3.133 N/A ARG 169.A NH1 GLY 41.A O no hydrogen 3.003 N/A ARG 169.A NH1 ASP 43.A O no hydrogen 2.792 N/A ARG 169.A NH2 ASP 43.A O no hydrogen 3.389 N/A ARG 169.A NH2 ARG 45.A O no hydrogen 3.033 N/A SER 172.A OG THR 140.A O no hydrogen 2.789 N/A PHE 174.A N SER 172.A OG no hydrogen 3.033 N/A LEU 177.A N PHE 174.A O no hydrogen 2.927 N/A SER 178.A N GLU 175.A O no hydrogen 3.232 N/A SER 178.A OG GLU 175.A O no hydrogen 2.750 N/A LYS 179.A N ASP 176.A O no hydrogen 3.278 N/A LYS 181.A NZ SER 104.A O no hydrogen 2.614 N/A TYR 182.A N SER 108.A OG no hydrogen 3.191 N/A TYR 182.A OH ASP 176.A OD1 no hydrogen 3.385 N/A TYR 182.A OH ASP 176.A OD2 no hydrogen 2.681 N/A THR 184.A N GLU 86.A OE1 no hydrogen 2.772 N/A THR 184.A OG1 GLU 86.A OE1 no hydrogen 3.360 N/A THR 184.A OG1 GLU 86.A OE2 no hydrogen 2.790 N/A ARG 187.A N THR 184.A OG1 no hydrogen 3.429 N/A ARG 187.A NE GLU 86.A O no hydrogen 2.681 N/A ARG 187.A NH2 LYS 87.A O no hydrogen 3.189 N/A PHE 188.A N GLU 86.A OE1 no hydrogen 3.016 N/A GLY 189.A N THR 184.A O no hydrogen 2.983 N/A SER 190.A N ARG 187.A O no hydrogen 2.757 N/A SER 190.A OG ARG 187.A O no hydrogen 2.817 N/A VAL 191.A N PHE 188.A O no hydrogen 3.200 N/A ARG 193.A N THR 219.A OG1 no hydrogen 3.201 N/A ARG 193.A NE GLY 217.A O no hydrogen 3.217 N/A ARG 193.A NH2 GLY 217.A O no hydrogen 2.932 N/A VAL 194.A N ALA 95.A O no hydrogen 2.824 N/A TYR 195.A N GLU 220.A O no hydrogen 3.056 N/A TYR 195.A OH ALA 100.A O no hydrogen 2.684 N/A ILE 196.A N PHE 97.A O no hydrogen 2.897 N/A VAL 197.A N ILE 222.A O no hydrogen 2.725 N/A CYS 198.A N GLN 209.A OE1 no hydrogen 3.016 N/A THR 199.A OG1 GLU 200.A OE2 no hydrogen 3.307 N/A GLU 200.A N ALA 227.A O no hydrogen 2.970 N/A ASP 201.A N CYS 198.A O no hydrogen 2.883 N/A GLY 203.A N ASP 201.A OD1 no hydrogen 2.742 N/A ILE 204.A N ASP 201.A OD1 no hydrogen 2.981 N/A GLU 207.A N GLU 207.A OE1 no hydrogen 2.671 N/A PHE 208.A N PRO 205.A O no hydrogen 3.017 N/A GLN 209.A N PRO 205.A O no hydrogen 3.136 N/A GLN 209.A NE2 CYS 198.A O no hydrogen 3.479 N/A GLN 209.A NE2 ILE 204.A O no hydrogen 2.808 N/A ARG 210.A N GLU 206.A O no hydrogen 2.755 N/A ARG 210.A NH2 GLU 206.A OE1 no hydrogen 2.603 N/A ARG 210.A NH2 GLU 223.A OE1 no hydrogen 3.157 N/A TRP 211.A N GLU 207.A O no hydrogen 2.849 N/A GLN 212.A N PHE 208.A O no hydrogen 3.012 N/A GLN 212.A NE2 ALA 100.A O no hydrogen 3.003 N/A GLN 212.A NE2 PHE 208.A O no hydrogen 3.679 N/A ILE 213.A N GLN 209.A O no hydrogen 3.189 N/A ASP 214.A N ARG 210.A O no hydrogen 2.903 N/A ASN 215.A N TRP 211.A O no hydrogen 2.832 N/A ILE 216.A N GLN 212.A O no hydrogen 2.677 N/A GLY 217.A N GLN 212.A O no hydrogen 3.276 N/A GLY 217.A N ILE 213.A O no hydrogen 2.876 N/A THR 219.A N ARG 193.A O no hydrogen 2.718 N/A GLU 220.A N ARG 193.A O no hydrogen 3.338 N/A ILE 222.A N TYR 195.A O no hydrogen 2.747 N/A ILE 224.A N VAL 197.A O no hydrogen 2.727 N/A GLY 226.A N THR 199.A OG1 no hydrogen 3.175 N/A HIS 229.A ND1 ASP 201.A OD2 no hydrogen 2.589 N/A HIS 229.A NE2 SER 77.A OG no hydrogen 2.771 N/A CYS 232.A SG ASP 228.A OD1 no hydrogen 2.984 N/A GLU 233.A N ALA 230.A O no hydrogen 2.831 N/A LEU 237.A N GLU 233.A O no hydrogen 3.054 N/A CYS 238.A N PRO 234.A O no hydrogen 2.878 N/A ALA 239.A N GLN 235.A O no hydrogen 3.027 N/A SER 240.A N LYS 236.A O no hydrogen 3.101 N/A SER 240.A OG LYS 236.A O no hydrogen 3.050 N/A LEU 241.A N LEU 237.A O no hydrogen 2.919 N/A LEU 242.A N CYS 238.A O no hydrogen 2.852 N/A GLU 243.A N ALA 239.A O no hydrogen 3.006 N/A ILE 244.A N SER 240.A O no hydrogen 3.059 N/A ALA 245.A N LEU 241.A O no hydrogen 2.861 N/A HIS 246.A N GLU 243.A O no hydrogen 3.074 N/A LYS 247.A N GLU 243.A O no hydrogen 3.134 N/A LYS 247.A NZ GLU 220.A OE1 no hydrogen 3.096 N/A LYS 247.A NZ GLU 220.A OE2 no hydrogen 3.006 N/A TYR 248.A N ILE 244.A O no hydrogen 2.946 N/A TYR 248.A OH GLU 220.A OE1 no hydrogen 2.445 N/A