Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xk3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 66.A OD2 no hydrogen 3.497 N/A SER 1.A OG ASP 66.A OD2 no hydrogen 3.513 N/A ASP 5.A N ARG 2.A O no hydrogen 3.039 N/A TYR 6.A N ALA 3.A O no hydrogen 2.962 N/A GLU 7.A N ARG 20.A O no hydrogen 2.934 N/A LEU 9.A N LYS 18.A O no hydrogen 2.938 N/A ILE 12.A N CYS 16.A O no hydrogen 2.804 N/A ARG 15.A NE GLU 32.A OE1 no hydrogen 3.088 N/A ARG 15.A NH2 GLU 32.A OE1 no hydrogen 2.791 N/A ARG 15.A NH2 GLU 32.A OE2 no hydrogen 3.059 N/A CYS 16.A N GLY 13.A O no hydrogen 2.791 N/A GLN 17.A N TRP 30.A O no hydrogen 2.922 N/A GLN 17.A NE2 THR 11.A OG1 no hydrogen 3.147 N/A LYS 18.A N TYR 10.A O no hydrogen 2.933 N/A LYS 18.A NZ TYR 10.A OH no hydrogen 3.261 N/A ILE 19.A N LEU 28.A O no hydrogen 2.899 N/A ARG 20.A N GLU 7.A O no hydrogen 2.933 N/A ARG 21.A N LYS 26.A O no hydrogen 2.970 N/A ARG 21.A NE ASP 24.A OD1 no hydrogen 3.234 N/A ARG 21.A NH2 ASP 24.A OD2 no hydrogen 2.836 N/A LYS 22.A N ASP 5.A O no hydrogen 2.999 N/A LYS 22.A NZ GLU 4.A O no hydrogen 3.002 N/A LYS 26.A N ASP 24.A OD1 no hydrogen 2.811 N/A LEU 28.A N ILE 19.A O no hydrogen 2.781 N/A VAL 29.A N MET 80.A O no hydrogen 2.996 N/A TRP 30.A N GLN 17.A O no hydrogen 2.873 N/A TRP 30.A NE1 GLN 17.A OE1 no hydrogen 2.886 N/A LYS 31.A N ILE 78.A O no hydrogen 2.893 N/A LYS 31.A NZ ASP 145.A OD2 no hydrogen 2.976 N/A GLU 32.A N ARG 15.A O no hydrogen 2.702 N/A LEU 33.A N LEU 76.A O no hydrogen 2.836 N/A TYR 35.A N THR 74.A O no hydrogen 3.073 N/A GLY 36.A N ASP 34.A OD1 no hydrogen 3.137 N/A SER 37.A OG SER 37.A O no hydrogen 2.565 N/A MET 38.A N TYR 35.A O no hydrogen 2.798 N/A THR 39.A N GLU 42.A OE1 no hydrogen 3.289 N/A GLU 42.A N THR 39.A OG1 no hydrogen 2.944 N/A LYS 43.A N THR 39.A O no hydrogen 3.083 N/A GLN 44.A N GLU 40.A O no hydrogen 2.976 N/A MET 45.A N ALA 41.A O no hydrogen 3.138 N/A LEU 46.A N GLU 42.A O no hydrogen 3.096 N/A VAL 47.A N LYS 43.A O no hydrogen 2.877 N/A SER 48.A N GLN 44.A O no hydrogen 3.145 N/A SER 48.A OG GLN 44.A O no hydrogen 3.154 N/A SER 48.A OG MET 45.A O no hydrogen 2.890 N/A GLU 49.A N MET 45.A O no hydrogen 2.786 N/A VAL 50.A N LEU 46.A O no hydrogen 2.885 N/A ASN 51.A N VAL 47.A O no hydrogen 3.125 N/A LEU 52.A N SER 48.A O no hydrogen 3.046 N/A LEU 53.A N VAL 50.A O no hydrogen 3.260 N/A LEU 56.A N LEU 53.A O no hydrogen 3.392 N/A ASN 60.A N HIS 58.A ND1 no hydrogen 3.053 N/A ASN 60.A ND2 GLN 113.A OE1 no hydrogen 2.872 N/A ASN 60.A ND2 VAL 141.A O no hydrogen 2.970 N/A ILE 61.A N HIS 58.A O no hydrogen 3.066 N/A VAL 62.A N LEU 143.A O no hydrogen 2.967 N/A ARG 63.A N GLU 81.A OE2 no hydrogen 2.829 N/A TYR 65.A N VAL 79.A O no hydrogen 2.764 N/A ILE 68.A N TYR 77.A O no hydrogen 2.789 N/A ASP 70.A N THR 75.A O no hydrogen 2.827 N/A ASN 73.A N ASP 70.A OD2 no hydrogen 3.116 N/A THR 74.A OG1 ASP 34.A OD1 no hydrogen 2.699 N/A THR 74.A OG1 ASN 73.A O no hydrogen 2.783 N/A THR 75.A N ASP 70.A O no hydrogen 3.052 N/A THR 75.A OG1 ASN 73.A O no hydrogen 3.072 N/A LEU 76.A N LEU 33.A O no hydrogen 2.716 N/A TYR 77.A N ILE 68.A O no hydrogen 2.773 N/A TYR 77.A OH GLU 32.A OE2 no hydrogen 3.150 N/A ILE 78.A N LYS 31.A O no hydrogen 3.003 N/A VAL 79.A N ASP 66.A O no hydrogen 2.924 N/A MET 80.A N VAL 29.A O no hydrogen 2.729 N/A GLU 81.A N ARG 63.A O no hydrogen 2.937 N/A GLY 85.A N LEU 135.A O no hydrogen 2.789 N/A GLY 86.A N CYS 83.A O no hydrogen 3.011 N/A LEU 88.A N VAL 133.A O no hydrogen 2.819 N/A SER 90.A N ASP 87.A OD2 no hydrogen 3.103 N/A SER 90.A OG ASP 87.A OD1 no hydrogen 2.839 N/A SER 90.A OG ASP 87.A OD2 no hydrogen 3.380 N/A ILE 92.A N LEU 88.A O no hydrogen 3.048 N/A THR 93.A N ALA 89.A O no hydrogen 2.847 N/A THR 93.A OG1 ALA 89.A O no hydrogen 3.185 N/A LYS 94.A N SER 90.A O no hydrogen 2.806 N/A GLY 95.A N VAL 91.A O no hydrogen 3.000 N/A THR 96.A N ILE 92.A O no hydrogen 3.079 N/A THR 96.A OG1 ILE 92.A O no hydrogen 3.092 N/A LYS 97.A N THR 93.A O no hydrogen 3.248 N/A GLU 98.A N LYS 94.A O no hydrogen 3.271 N/A ARG 99.A N THR 96.A O no hydrogen 3.424 N/A GLN 100.A N GLY 95.A O no hydrogen 3.046 N/A GLN 100.A NE2 TYR 101.A O no hydrogen 3.457 N/A PHE 106.A N ASP 103.A O no hydrogen 2.947 N/A VAL 107.A N ASP 103.A O no hydrogen 3.134 N/A LEU 108.A N GLU 104.A O no hydrogen 2.770 N/A ARG 109.A N GLU 105.A O no hydrogen 3.103 N/A VAL 110.A N PHE 106.A O no hydrogen 2.975 N/A MET 111.A N VAL 107.A O no hydrogen 2.946 N/A THR 112.A N LEU 108.A O no hydrogen 2.927 N/A THR 112.A OG1 LEU 108.A O no hydrogen 2.785 N/A GLN 113.A N ARG 109.A O no hydrogen 2.926 N/A GLN 113.A NE2 GLN 139.A O no hydrogen 3.427 N/A GLN 113.A NE2 HIS 243.A O no hydrogen 2.918 N/A LEU 114.A N VAL 110.A O no hydrogen 2.923 N/A THR 115.A N MET 111.A O no hydrogen 3.043 N/A THR 115.A OG1 MET 111.A O no hydrogen 2.519 N/A LEU 116.A N THR 112.A O no hydrogen 3.090 N/A ALA 117.A N GLN 113.A O no hydrogen 3.081 N/A LEU 118.A N LEU 114.A O no hydrogen 2.911 N/A LYS 119.A N THR 115.A O no hydrogen 2.985 N/A GLU 120.A N LEU 116.A O no hydrogen 3.174 N/A CYS 121.A N ALA 117.A O no hydrogen 3.024 N/A CYS 121.A SG ALA 117.A O no hydrogen 3.399 N/A HIS 122.A N LEU 118.A O no hydrogen 2.858 N/A HIS 122.A NE2 ASP 166.A OD2 no hydrogen 2.762 N/A ARG 123.A N LYS 119.A O no hydrogen 3.012 N/A ARG 123.A NE GLU 120.A OE1 no hydrogen 3.108 N/A ARG 123.A NH2 GLU 120.A OE2 no hydrogen 2.974 N/A ARG 124.A N GLU 120.A O no hydrogen 2.944 N/A SER 125.A OG CYS 121.A O no hydrogen 3.222 N/A SER 125.A OG ARG 124.A O no hydrogen 2.755 N/A LYS 129.A N ASP 127.A O no hydrogen 3.020 N/A ASN 132.A N LYS 129.A O no hydrogen 2.872 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 2.827 N/A ASN 132.A ND2 GLY 144.A O no hydrogen 3.051 N/A VAL 133.A N PRO 130.A O no hydrogen 3.079 N/A PHE 134.A N LYS 142.A O no hydrogen 2.732 N/A LEU 135.A N GLY 86.A O no hydrogen 2.922 N/A ASP 136.A N ASN 140.A O no hydrogen 3.200 N/A LYS 138.A N ASP 136.A OD1 no hydrogen 2.949 N/A LYS 138.A NZ HIS 247.A O no hydrogen 3.266 N/A ASN 140.A N ASP 136.A OD1 no hydrogen 2.863 N/A ASN 140.A ND2 ASP 136.A OD2 no hydrogen 2.887 N/A ASN 140.A ND2 HIS 246.A O no hydrogen 2.798 N/A VAL 141.A N GLN 113.A OE1 no hydrogen 2.888 N/A LYS 142.A N PHE 134.A O no hydrogen 2.719 N/A LYS 142.A NZ PRO 59.A O no hydrogen 3.046 N/A LYS 142.A NZ GLU 81.A OE1 no hydrogen 2.740 N/A LYS 142.A NZ GLU 81.A OE2 no hydrogen 3.440 N/A LEU 143.A N ASN 60.A O no hydrogen 2.843 N/A GLY 144.A N ASN 132.A O no hydrogen 2.988 N/A TYR 152.A N THR 150.A O no hydrogen 3.010 N/A TYR 153.A OH GLU 176.A OE1 no hydrogen 2.539 N/A MET 154.A N PRO 151.A O no hydrogen 3.171 N/A SER 155.A OG GLU 157.A OE2 no hydrogen 3.194 N/A GLN 158.A N SER 155.A OG no hydrogen 3.275 N/A ASN 160.A N GLU 157.A O no hydrogen 3.073 N/A ASN 162.A ND2 ASP 224.A OD1 no hydrogen 2.731 N/A LYS 164.A NZ ASP 224.A O no hydrogen 3.519 N/A LYS 164.A NZ ARG 227.A O no hydrogen 2.871 N/A SER 165.A N ASN 162.A O no hydrogen 3.032 N/A SER 165.A OG GLU 157.A OE2 no hydrogen 2.749 N/A ASP 166.A N GLU 163.A O no hydrogen 3.166 N/A TRP 168.A N LYS 164.A O no hydrogen 3.130 N/A SER 169.A N SER 165.A O no hydrogen 3.245 N/A SER 169.A OG TYR 153.A O no hydrogen 3.434 N/A SER 169.A OG SER 165.A O no hydrogen 3.200 N/A LEU 170.A N ASP 166.A O no hydrogen 2.935 N/A GLY 171.A N ILE 167.A O no hydrogen 2.923 N/A CYS 172.A N TRP 168.A O no hydrogen 2.899 N/A CYS 172.A SG TRP 168.A O no hydrogen 3.605 N/A LEU 173.A N SER 169.A O no hydrogen 2.892 N/A LEU 174.A N LEU 170.A O no hydrogen 2.797 N/A TYR 175.A N GLY 171.A O no hydrogen 2.766 N/A TYR 175.A OH ARG 202.A O no hydrogen 2.639 N/A GLU 176.A N CYS 172.A O no hydrogen 2.866 N/A LEU 177.A N LEU 173.A O no hydrogen 2.884 N/A CYS 178.A N LEU 174.A O no hydrogen 2.992 N/A CYS 178.A SG LEU 174.A O no hydrogen 3.485 N/A ALA 179.A N TYR 175.A O no hydrogen 2.932 N/A LEU 180.A N GLU 176.A O no hydrogen 2.853 N/A PHE 187.A N GLU 191.A OE1 no hydrogen 2.825 N/A GLU 191.A N SER 188.A OG no hydrogen 3.382 N/A LEU 192.A N SER 188.A O no hydrogen 2.937 N/A ALA 193.A N GLN 189.A O no hydrogen 2.694 N/A GLY 194.A N LYS 190.A O no hydrogen 2.969 N/A LYS 195.A N GLU 191.A O no hydrogen 3.050 N/A LYS 195.A NZ THR 185.A O no hydrogen 2.752 N/A LYS 195.A NZ GLU 191.A OE2 no hydrogen 3.516 N/A ILE 196.A N LEU 192.A O no hydrogen 3.025 N/A ARG 197.A N ALA 193.A O no hydrogen 3.116 N/A GLU 198.A N LYS 195.A O no hydrogen 3.269 N/A GLY 199.A N LYS 195.A O no hydrogen 3.251 N/A ARG 203.A NH1 ILE 204.A O no hydrogen 2.791 N/A ARG 203.A NH1 TYR 208.A O no hydrogen 3.271 N/A ARG 203.A NH2 TYR 208.A O no hydrogen 2.786 N/A ARG 203.A NH2 ASP 210.A OD1 no hydrogen 2.987 N/A TYR 208.A N PRO 205.A O no hydrogen 3.060 N/A TYR 208.A OH LEU 102.A O no hydrogen 2.604 N/A SER 209.A N GLU 104.A OE1 no hydrogen 3.140 N/A SER 209.A OG GLU 104.A OE1 no hydrogen 3.509 N/A SER 209.A OG GLU 104.A OE2 no hydrogen 2.743 N/A GLU 211.A N GLU 211.A OE1 no hydrogen 2.590 N/A LEU 212.A N SER 209.A OG no hydrogen 3.185 N/A ASN 213.A N SER 209.A O no hydrogen 3.043 N/A GLU 214.A N ASP 210.A O no hydrogen 2.783 N/A ILE 215.A N GLU 211.A O no hydrogen 3.226 N/A ILE 216.A N LEU 212.A O no hydrogen 3.160 N/A THR 217.A N ASN 213.A O no hydrogen 2.818 N/A THR 217.A OG1 ASN 213.A O no hydrogen 2.690 N/A ARG 218.A N GLU 214.A O no hydrogen 2.858 N/A MET 219.A N ILE 215.A O no hydrogen 3.040 N/A LEU 220.A N ILE 216.A O no hydrogen 3.127 N/A ASN 221.A N ARG 218.A O no hydrogen 2.933 N/A LYS 223.A N ASN 221.A OD1 no hydrogen 3.119 N/A HIS 226.A N LYS 223.A O no hydrogen 2.959 N/A ARG 227.A N ASP 224.A O no hydrogen 3.091 N/A ARG 227.A NE ASN 221.A O no hydrogen 2.753 N/A ARG 227.A NH1 GLU 157.A OE1 no hydrogen 3.436 N/A ARG 227.A NH1 GLU 157.A OE2 no hydrogen 2.788 N/A ARG 227.A NH1 LYS 164.A O no hydrogen 2.943 N/A ARG 227.A NH2 GLU 157.A OE1 no hydrogen 2.945 N/A ARG 227.A NH2 ASN 221.A O no hydrogen 3.279 N/A SER 229.A N GLU 232.A OE2 no hydrogen 2.988 N/A SER 229.A OG GLU 231.A OE2 no hydrogen 3.530 N/A GLU 231.A N GLU 231.A OE2 no hydrogen 2.847 N/A GLU 232.A N SER 229.A OG no hydrogen 3.028 N/A ILE 233.A N SER 229.A O no hydrogen 2.732 N/A LEU 234.A N VAL 230.A O no hydrogen 3.126 N/A GLU 235.A N GLU 231.A O no hydrogen 3.157 N/A ASN 236.A N ILE 233.A O no hydrogen 3.126 N/A LEU 238.A N ASN 236.A OD1 no hydrogen 3.005 N/A ILE 239.A N ASN 236.A O no hydrogen 2.961 N/A LEU 240.A N HIS 243.A ND1 no hydrogen 3.016 N/A HIS 242.A NE2 GLU 105.A OE2 no hydrogen 2.695 N/A HIS 243.A N LEU 240.A O no hydrogen 2.875 N/A HIS 243.A NE2 GLU 105.A OE1 no hydrogen 2.993 N/A HIS 244.A N GLU 241.A O no hydrogen 3.060 N/A HIS 244.A ND1 LEU 240.A O no hydrogen 3.090 N/A HIS 244.A ND1 GLU 241.A O no hydrogen 3.137 N/A HIS 246.A N ASN 140.A OD1 no hydrogen 2.939 N/A HIS 246.A NE2 GLU 241.A OE2 no hydrogen 3.054 N/A