Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kkz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N ASP 5.A OD2 no hydrogen 2.827 N/A THR 2.A N ASP 5.A OD2 no hydrogen 3.221 N/A THR 2.A OG1 ASP 5.A OD2 no hydrogen 3.119 N/A ASP 5.A N THR 2.A OG1 no hydrogen 2.923 N/A PHE 6.A N THR 2.A O no hydrogen 3.352 N/A GLU 7.A N ILE 3.A O no hydrogen 2.585 N/A LEU 8.A N HIS 4.A O no hydrogen 2.874 N/A ASN 9.A ND2 TYR 211.A OH no hydrogen 2.693 N/A LEU 10.A N PHE 6.A O no hydrogen 3.232 N/A ILE 11.A N GLU 7.A O no hydrogen 2.882 N/A CYS 12.A N LEU 8.A O no hydrogen 2.984 N/A ASP 13.A N ASN 9.A O no hydrogen 3.083 N/A PHE 14.A N LEU 10.A O no hydrogen 2.724 N/A PHE 15.A N ILE 11.A O no hydrogen 2.929 N/A SER 16.A N CYS 12.A O no hydrogen 2.820 N/A SER 16.A OG CYS 12.A O no hydrogen 2.533 N/A ARG 19.A NH2 GLU 113.A OE1 no hydrogen 2.948 N/A GLN 20.A NE2 PHE 15.A O no hydrogen 3.489 N/A GLN 20.A NE2 THR 51.A OG1 no hydrogen 2.846 N/A GLY 23.A N CYS 191.A O no hydrogen 3.174 N/A VAL 27.A N SER 24.A OG no hydrogen 3.058 N/A THR 28.A N SER 24.A O no hydrogen 3.002 N/A THR 28.A OG1 SER 24.A O no hydrogen 3.345 N/A THR 28.A OG1 GLU 113.A OE2 no hydrogen 2.733 N/A LEU 29.A N PRO 25.A O no hydrogen 2.956 N/A LYS 30.A N GLU 26.A O no hydrogen 2.828 N/A ALA 31.A N VAL 27.A O no hydrogen 2.946 N/A LEU 32.A N THR 28.A O no hydrogen 3.022 N/A SER 33.A N LEU 29.A O no hydrogen 2.953 N/A SER 33.A N LYS 30.A O no hydrogen 3.190 N/A SER 33.A OG LYS 30.A O no hydrogen 2.664 N/A PHE 34.A N ALA 31.A O no hydrogen 3.179 N/A ILE 35.A N LEU 32.A O no hydrogen 3.002 N/A ASN 37.A ND2 ASP 108.A O no hydrogen 3.237 N/A THR 39.A N SER 42.A OG no hydrogen 2.797 N/A LYS 41.A N THR 39.A OG1 no hydrogen 3.023 N/A SER 42.A N THR 39.A O no hydrogen 2.999 N/A SER 42.A OG THR 39.A O no hydrogen 3.174 N/A LEU 43.A N ASP 108.A OD2 no hydrogen 2.794 N/A ILE 44.A N GLN 64.A O no hydrogen 2.847 N/A ALA 45.A N LEU 109.A O no hydrogen 2.995 N/A ASP 46.A N THR 66.A O no hydrogen 2.823 N/A ILE 47.A N TRP 111.A O no hydrogen 2.781 N/A CYS 49.A N LEU 68.A O no hydrogen 3.102 N/A CYS 49.A SG GLY 50.A O no hydrogen 3.501 N/A GLY 50.A N ASP 69.A OD2 no hydrogen 2.789 N/A THR 51.A N GLN 20.A OE1 no hydrogen 3.047 N/A GLY 52.A N CYS 49.A O no hydrogen 2.988 N/A GLN 54.A N GLN 54.A OE1 no hydrogen 2.746 N/A GLN 54.A NE2 ASP 46.A OD2 no hydrogen 2.826 N/A GLN 54.A NE2 CYS 49.A O no hydrogen 2.953 N/A THR 55.A OG1 ASP 46.A OD2 no hydrogen 2.659 N/A LEU 57.A N GLN 54.A O no hydrogen 2.904 N/A ALA 58.A N THR 55.A O no hydrogen 2.763 N/A HIS 60.A N LEU 57.A O no hydrogen 2.896 N/A HIS 60.A ND1 VAL 56.A O no hydrogen 2.817 N/A GLN 64.A N SER 42.A O no hydrogen 3.003 N/A GLN 64.A NE2 ASN 89.A O no hydrogen 3.079 N/A VAL 65.A N ARG 90.A O no hydrogen 2.750 N/A THR 66.A N ILE 44.A O no hydrogen 2.838 N/A GLY 67.A N THR 92.A O no hydrogen 2.792 N/A LEU 68.A N ASP 46.A O no hydrogen 2.843 N/A ASP 69.A N ILE 94.A O no hydrogen 3.113 N/A LEU 71.A N ASP 69.A OD1 no hydrogen 2.973 N/A ILE 75.A N LEU 71.A O no hydrogen 3.123 N/A ASP 76.A N SER 72.A O no hydrogen 2.764 N/A ILE 77.A N GLY 73.A O no hydrogen 3.295 N/A PHE 78.A N PHE 74.A O no hydrogen 2.831 N/A ASN 79.A N ILE 75.A O no hydrogen 2.889 N/A ASN 79.A ND2 GLY 93.A O no hydrogen 3.023 N/A ARG 80.A N ASP 76.A O no hydrogen 2.952 N/A ASN 81.A N ILE 77.A O no hydrogen 2.868 N/A ALA 82.A N PHE 78.A O no hydrogen 2.988 N/A ARG 83.A N ASN 79.A O no hydrogen 2.884 N/A ARG 83.A NE GLN 88.A OE1 no hydrogen 2.875 N/A ARG 83.A NH2 GLN 88.A OE1 no hydrogen 3.253 N/A GLN 84.A N ARG 80.A O no hydrogen 2.961 N/A SER 85.A N ASN 81.A O no hydrogen 3.061 N/A SER 85.A OG ASN 81.A O no hydrogen 3.455 N/A GLY 86.A N ARG 83.A O no hydrogen 3.052 N/A LEU 87.A N ALA 82.A O no hydrogen 2.932 N/A ARG 90.A N LEU 87.A O no hydrogen 2.959 N/A ARG 90.A NE GLY 63.A O no hydrogen 3.208 N/A ARG 90.A NH1 ALA 58.A O no hydrogen 3.124 N/A ARG 90.A NH2 ALA 58.A O no hydrogen 3.055 N/A ARG 90.A NH2 GLY 63.A O no hydrogen 2.998 N/A VAL 91.A N LEU 87.A O no hydrogen 2.859 N/A THR 92.A N VAL 65.A O no hydrogen 3.061 N/A GLY 93.A N ASN 79.A OD1 no hydrogen 2.801 N/A ILE 94.A N GLY 67.A O no hydrogen 2.750 N/A GLY 96.A N ASP 69.A O no hydrogen 2.991 N/A SER 97.A OG ASP 98.A OD1 no hydrogen 2.585 N/A ASP 99.A N SER 97.A O no hydrogen 2.939 N/A ARG 103.A N GLU 106.A OE1 no hydrogen 2.818 N/A GLU 105.A N LYS 130.A O no hydrogen 2.784 N/A GLU 106.A N ARG 103.A O no hydrogen 3.307 N/A LEU 107.A N TYR 131.A O no hydrogen 2.901 N/A ASP 108.A N LEU 43.A O no hydrogen 2.867 N/A ILE 110.A N TYR 137.A O no hydrogen 2.892 N/A TRP 111.A N ALA 45.A O no hydrogen 2.701 N/A TRP 111.A NE1 GLU 113.A OE2 no hydrogen 2.886 N/A SER 112.A N ALA 139.A O no hydrogen 2.878 N/A SER 112.A OG ILE 47.A O no hydrogen 2.859 N/A GLY 114.A N SER 141.A OG no hydrogen 2.911 N/A ASN 118.A N ALA 115.A O no hydrogen 3.037 N/A ASN 118.A ND2 ALA 115.A O no hydrogen 2.995 N/A ILE 119.A N ILE 116.A O no hydrogen 3.006 N/A GLY 120.A N ILE 116.A O no hydrogen 2.813 N/A PHE 121.A N TYR 161.A OH no hydrogen 3.129 N/A GLU 122.A N GLU 163.A OE2 no hydrogen 2.976 N/A ARG 123.A NE GLU 127.A OE2 no hydrogen 2.863 N/A GLY 124.A N GLY 120.A O no hydrogen 2.911 N/A LEU 125.A N PHE 121.A O no hydrogen 2.929 N/A ASN 126.A N GLU 122.A O no hydrogen 2.924 N/A GLU 127.A N ARG 123.A O no hydrogen 2.765 N/A TRP 128.A N GLY 124.A O no hydrogen 2.904 N/A ARG 129.A NE GLY 178.A O no hydrogen 3.259 N/A ARG 129.A NH2 GLY 178.A O no hydrogen 2.946 N/A LYS 130.A NZ GLU 127.A O no hydrogen 2.807 N/A TYR 131.A N TRP 128.A O no hydrogen 3.108 N/A LEU 132.A N ARG 129.A O no hydrogen 3.116 N/A LYS 133.A N LEU 107.A O no hydrogen 2.774 N/A LYS 133.A NZ GLU 105.A O no hydrogen 3.373 N/A GLY 135.A N LYS 246.A O no hydrogen 2.885 N/A GLY 136.A N LYS 133.A O no hydrogen 2.856 N/A TYR 137.A N ASP 108.A O no hydrogen 2.973 N/A TYR 137.A OH ASP 36.A OD1 no hydrogen 2.981 N/A LEU 138.A N ALA 244.A O no hydrogen 2.779 N/A ALA 139.A N ILE 110.A O no hydrogen 2.806 N/A VAL 140.A N PHE 242.A O no hydrogen 2.879 N/A SER 141.A N SER 112.A O no hydrogen 2.957 N/A GLU 142.A N THR 240.A O no hydrogen 2.906 N/A SER 144.A N GLY 238.A O no hydrogen 2.871 N/A SER 144.A OG THR 240.A OG1 no hydrogen 2.811 N/A TRP 145.A N ASP 165.A O no hydrogen 2.880 N/A PHE 146.A N TYR 236.A O no hydrogen 2.892 N/A THR 147.A OG1 GLU 149.A O no hydrogen 2.658 N/A ARG 150.A NH1 ASN 155.A OD1 no hydrogen 2.924 N/A ARG 150.A NH2 THR 147.A O no hydrogen 2.843 N/A ASN 155.A N PRO 151.A O no hydrogen 3.113 N/A ASP 156.A N ALA 152.A O no hydrogen 2.753 N/A PHE 157.A N GLU 153.A O no hydrogen 3.053 N/A TRP 158.A N ILE 154.A O no hydrogen 3.149 N/A ALA 160.A N PHE 157.A O no hydrogen 2.948 N/A TYR 161.A N TRP 158.A O no hydrogen 2.775 N/A TYR 161.A OH GLU 142.A OE2 no hydrogen 2.610 N/A ILE 164.A N TYR 161.A O no hydrogen 3.243 N/A THR 166.A N ASP 165.A OD1 no hydrogen 2.788 N/A GLN 170.A N THR 166.A O no hydrogen 2.929 N/A GLN 170.A NE2 SER 144.A OG no hydrogen 2.704 N/A VAL 171.A N ILE 167.A O no hydrogen 2.843 N/A ALA 172.A N PRO 168.A O no hydrogen 3.014 N/A LYS 173.A N ASN 169.A O no hydrogen 3.023 N/A LYS 173.A NZ ASP 165.A OD2 no hydrogen 2.754 N/A ILE 174.A N GLN 170.A O no hydrogen 3.025 N/A HIS 175.A N VAL 171.A O no hydrogen 3.087 N/A LYS 176.A N ALA 172.A O no hydrogen 2.832 N/A ALA 177.A N LYS 173.A O no hydrogen 2.972 N/A ALA 177.A N ILE 174.A O no hydrogen 3.239 N/A GLY 178.A N HIS 175.A O no hydrogen 2.979 N/A TYR 179.A N ILE 174.A O no hydrogen 3.143 N/A TYR 179.A OH LEU 125.A O no hydrogen 2.662 N/A LEU 180.A N LYS 245.A O no hydrogen 2.775 N/A VAL 182.A N LEU 180.A O no hydrogen 2.797 N/A ALA 183.A N ILE 243.A O no hydrogen 3.104 N/A PHE 185.A N PHE 241.A O no hydrogen 2.919 N/A LEU 187.A N TYR 239.A O no hydrogen 2.890 N/A ASN 190.A ND2 HIS 195.A ND1 no hydrogen 3.584 N/A CYS 191.A N PRO 188.A O no hydrogen 3.067 N/A TRP 192.A N GLU 189.A O no hydrogen 2.894 N/A THR 193.A N GLU 189.A O no hydrogen 3.135 N/A THR 193.A OG1 GLU 189.A O no hydrogen 3.326 N/A ASP 194.A N THR 193.A OG1 no hydrogen 2.748 N/A HIS 195.A N ASN 190.A O no hydrogen 3.044 N/A HIS 195.A ND1 ASN 190.A O no hydrogen 3.055 N/A TYR 196.A N THR 193.A O no hydrogen 3.275 N/A TYR 196.A OH GLU 226.A OE2 no hydrogen 3.356 N/A PHE 197.A N TRP 192.A O no hydrogen 2.762 N/A THR 198.A N THR 193.A O no hydrogen 2.875 N/A THR 198.A OG1 THR 193.A O no hydrogen 3.215 N/A LYS 200.A N TYR 196.A O no hydrogen 3.094 N/A LYS 200.A NZ TYR 196.A OH no hydrogen 2.879 N/A LYS 200.A NZ GLN 223.A OE1 no hydrogen 2.690 N/A LYS 200.A NZ GLU 226.A OE1 no hydrogen 2.911 N/A VAL 201.A N THR 198.A O no hydrogen 3.201 N/A ALA 203.A N PRO 199.A O no hydrogen 3.205 N/A GLN 204.A N LYS 200.A O no hydrogen 2.829 N/A LYS 205.A N VAL 201.A O no hydrogen 3.058 N/A ILE 206.A N ALA 202.A O no hydrogen 3.225 N/A PHE 207.A N ALA 203.A O no hydrogen 2.911 N/A LEU 208.A N GLN 204.A O no hydrogen 2.840 N/A THR 209.A N LYS 205.A O no hydrogen 3.364 N/A LYS 210.A N ILE 206.A O no hydrogen 3.109 N/A LYS 210.A NZ ASP 13.A OD1 no hydrogen 3.032 N/A TYR 211.A N PHE 207.A O no hydrogen 2.857 N/A TYR 211.A OH ASP 13.A OD2 no hydrogen 2.693 N/A GLY 213.A N GLU 218.A OE2 no hydrogen 3.301 N/A ASN 214.A N TYR 211.A O no hydrogen 2.983 N/A ALA 217.A N ASN 214.A OD1 no hydrogen 2.981 N/A GLU 218.A N ASN 214.A O no hydrogen 2.939 N/A GLU 219.A N LYS 215.A O no hydrogen 3.004 N/A PHE 220.A N ILE 216.A O no hydrogen 2.894 N/A SER 221.A N ALA 217.A O no hydrogen 2.924 N/A GLN 223.A N PHE 220.A O no hydrogen 3.206 N/A SER 224.A N SER 221.A O no hydrogen 3.170 N/A SER 224.A OG SER 221.A O no hydrogen 3.446 N/A GLU 226.A N LEU 222.A O no hydrogen 3.055 N/A GLU 227.A N GLN 223.A O no hydrogen 3.333 N/A GLU 228.A N SER 224.A O no hydrogen 2.981 N/A LEU 229.A N ILE 225.A O no hydrogen 2.859 N/A TYR 230.A N GLU 226.A O no hydrogen 3.172 N/A HIS 231.A N GLU 227.A O no hydrogen 3.017 N/A LYS 232.A N GLU 228.A O no hydrogen 3.056 N/A TYR 233.A N LEU 229.A O no hydrogen 2.796 N/A TYR 233.A N TYR 230.A O no hydrogen 3.298 N/A TYR 233.A OH GLU 153.A OE1 no hydrogen 2.472 N/A LYS 234.A NZ GLU 189.A OE1 no hydrogen 2.962 N/A GLU 235.A N GLU 235.A OE1 no hydrogen 2.912 N/A TYR 236.A N TYR 233.A O no hydrogen 2.795 N/A GLY 238.A N SER 144.A O no hydrogen 3.039 N/A THR 240.A N GLU 142.A O no hydrogen 2.872 N/A THR 240.A OG1 SER 144.A OG no hydrogen 2.811 N/A PHE 241.A N PHE 185.A O no hydrogen 2.703 N/A PHE 242.A N VAL 140.A O no hydrogen 2.696 N/A ILE 243.A N ALA 183.A O no hydrogen 2.723 N/A ALA 244.A N LEU 138.A O no hydrogen 2.756 N/A LYS 245.A N LEU 180.A O no hydrogen 2.940 N/A LYS 245.A NZ GLY 135.A O no hydrogen 2.702 N/A LYS 246.A N GLY 136.A O no hydrogen 2.871 N/A LYS 246.A NZ ARG 129.A O no hydrogen 2.832 N/A LYS 246.A NZ LEU 132.A O no hydrogen 2.818 N/A ILE 247.A N GLY 178.A O no hydrogen 3.469 N/A LEU 250.A N ILE 247.A O no hydrogen 3.339 N/A GLU 251.A N ARG 248.A O no hydrogen 2.870 N/A