Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k1k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N LYS 1.A O no hydrogen 3.083 N/A LEU 5.A N GLY 2.A O no hydrogen 3.125 N/A PHE 6.A N GLU 3.A O no hydrogen 3.167 N/A VAL 10.A N GLY 33.A O no hydrogen 2.819 N/A ILE 12.A N GLY 31.A O no hydrogen 2.811 N/A LEU 13.A N LEU 112.A O no hydrogen 2.846 N/A VAL 14.A N GLY 29.A O no hydrogen 2.761 N/A GLU 15.A N ASN 114.A O no hydrogen 2.991 N/A LEU 16.A N VAL 27.A O no hydrogen 2.926 N/A ASP 17.A N ILE 116.A O no hydrogen 3.030 N/A GLY 18.A N PHE 25.A O no hydrogen 2.969 N/A ASP 19.A N LEU 118.A O no hydrogen 3.158 N/A VAL 20.A N HIS 23.A O no hydrogen 2.890 N/A ASN 21.A N GLY 120.A O no hydrogen 2.902 N/A ASN 21.A ND2 PHE 123.A O no hydrogen 2.716 N/A HIS 23.A N VAL 20.A O no hydrogen 2.916 N/A HIS 23.A ND1 ASN 21.A O no hydrogen 3.062 N/A PHE 25.A N GLY 18.A O no hydrogen 3.070 N/A SER 26.A OG ASP 17.A OD2 no hydrogen 2.947 N/A VAL 27.A N LEU 16.A O no hydrogen 3.147 N/A SER 28.A N ILE 45.A O no hydrogen 2.967 N/A SER 28.A OG.B GLU 15.A OE1 no hydrogen 2.656 N/A GLY 29.A N VAL 14.A O no hydrogen 2.705 N/A GLU 30.A N LYS 43.A O no hydrogen 3.036 N/A GLY 31.A N ILE 12.A O no hydrogen 3.131 N/A GLU 32.A N THR 41.A O no hydrogen 3.080 N/A GLY 33.A N VAL 10.A O no hydrogen 2.846 N/A ASP 34.A N LYS 39.A O no hydrogen 2.935 N/A TYR 37.A N ASP 34.A O no hydrogen 3.133 N/A GLY 38.A N ALA 35.A O no hydrogen 3.188 N/A LYS 39.A N ASP 34.A O no hydrogen 3.107 N/A LEU 40.A N GLU 214.A O no hydrogen 2.889 N/A THR 41.A N GLU 32.A O no hydrogen 3.157 N/A LEU 42.A N LEU 212.A O no hydrogen 2.912 N/A LYS 43.A N GLU 30.A O no hydrogen 3.012 N/A LYS 43.A NZ ASP 203.A OD2 no hydrogen 2.689 N/A LYS 43.A NZ GLU 206.A OE1 no hydrogen 2.824 N/A ILE 45.A N SER 28.A O no hydrogen 2.850 N/A CYS 46.A N ASP 209.A O no hydrogen 2.969 N/A CYS 46.A SG SER 26.A O no hydrogen 3.611 N/A CYS 46.A SG GLY 49.A O no hydrogen 3.344 N/A THR 47.A N SER 26.A O no hydrogen 3.031 N/A LEU 51.A N ASP 209.A OD2 no hydrogen 2.843 N/A TRP 55.A NE1 ASP 209.A OD1 no hydrogen 3.059 N/A THR 57.A N PRO 54.A O no hydrogen 2.962 N/A THR 57.A OG1 PRO 54.A O no hydrogen 2.918 N/A THR 57.A OG1 TYR 99.A OH no hydrogen 2.799 N/A LEU 58.A N TRP 55.A O no hydrogen 3.137 N/A VAL 59.A N PRO 56.A O no hydrogen 3.251 N/A THR 60.A OG1 HIS 174.A NE2 no hydrogen 2.719 N/A PHE 62.A N LEU 58.A O no hydrogen 3.051 N/A CYS 65.A SG VAL 63.A O no hydrogen 3.802 N/A PHE 66.A N VAL 63.A O no hydrogen 3.061 N/A SER 67.A N GLN 64.A O no hydrogen 3.152 N/A SER 67.A OG GLN 64.A O no hydrogen 2.817 N/A ARG 68.A N VAL 216.A O no hydrogen 2.980 N/A TYR 69.A OH HIS 192.A NE2 no hydrogen 2.588 N/A HIS 72.A NE2 ILE 221.A O no hydrogen 2.801 N/A LYS 73.A NZ TYR 69.A O no hydrogen 2.950 N/A ASP 76.A N LYS 73.A O no hydrogen 3.387 N/A PHE 77.A N HIS 75.A O no hydrogen 3.101 N/A LYS 79.A N ASP 76.A OD1 no hydrogen 3.185 N/A LYS 79.A NZ CYS 65.A O no hydrogen 2.831 N/A LYS 79.A NZ SER 67.A O no hydrogen 2.828 N/A LYS 79.A NZ ASP 76.A OD2 no hydrogen 2.623 N/A SER 80.A N ASP 76.A O no hydrogen 3.440 N/A SER 80.A OG PHE 77.A O no hydrogen 3.103 N/A GLY 84.A N ALA 81.A O no hydrogen 2.639 N/A TYR 85.A N VAL 105.A O no hydrogen 2.939 N/A VAL 86.A N THR 179.A O no hydrogen 2.773 N/A GLN 87.A N ALA 103.A O no hydrogen 2.767 N/A GLU 88.A N GLN 177.A O no hydrogen 2.897 N/A ARG 89.A N THR 101.A O no hydrogen 3.112 N/A ARG 89.A NE GLN 176.A OE1 no hydrogen 2.841 N/A ARG 89.A NH1 THR 60.A O no hydrogen 3.001 N/A ARG 89.A NH2 GLN 176.A OE1 no hydrogen 2.878 N/A THR 90.A N TYR 175.A O no hydrogen 2.961 N/A ILE 91.A N TYR 99.A O no hydrogen 2.752 N/A SER 92.A N ASP 173.A O no hydrogen 2.850 N/A SER 92.A OG.B ASP 173.A O no hydrogen 3.429 N/A PHE 93.A N GLY 97.A O no hydrogen 2.911 N/A LYS 94.A N LEU 171.A O no hydrogen 2.920 N/A ASP 96.A N PHE 93.A O no hydrogen 3.009 N/A GLY 97.A N ASP 96.A OD1 no hydrogen 2.514 N/A ASN 98.A N ILE 121.A O no hydrogen 3.127 N/A TYR 99.A N ILE 91.A O no hydrogen 2.753 N/A TYR 99.A OH THR 57.A OG1 no hydrogen 2.799 N/A LYS 100.A N LYS 119.A O no hydrogen 2.885 N/A THR 101.A N ARG 89.A O no hydrogen 2.944 N/A ARG 102.A N GLU 117.A O no hydrogen 2.870 N/A ARG 102.A NH1 GLU 88.A OE2 no hydrogen 3.139 N/A ALA 103.A N GLN 87.A O no hydrogen 2.866 N/A GLU 104.A N ARG 115.A O no hydrogen 2.943 N/A VAL 105.A N TYR 85.A O no hydrogen 2.935 N/A LYS 106.A N VAL 113.A O no hydrogen 3.063 N/A LYS 106.A NZ GLU 104.A OE1 no hydrogen 2.611 N/A PHE 107.A N PRO 82.A O no hydrogen 3.371 N/A GLU 108.A N THR 111.A O no hydrogen 2.844 N/A THR 111.A N GLU 108.A O no hydrogen 3.304 N/A LEU 112.A N PRO 11.A O no hydrogen 2.864 N/A VAL 113.A N LYS 106.A O no hydrogen 2.880 N/A ASN 114.A N LEU 13.A O no hydrogen 2.877 N/A ASN 114.A ND2 THR 61.A O no hydrogen 3.344 N/A ASN 114.A ND2 PHE 62.A O no hydrogen 2.985 N/A ARG 115.A N GLU 104.A O no hydrogen 2.965 N/A ARG 115.A NE GLU 108.A OE2 no hydrogen 2.901 N/A ARG 115.A NH2 GLU 108.A OE1 no hydrogen 2.668 N/A ARG 115.A NH2 GLU 108.A OE2 no hydrogen 3.270 N/A ILE 116.A N GLU 15.A O no hydrogen 2.804 N/A GLU 117.A N ARG 102.A O no hydrogen 2.783 N/A LEU 118.A N ASP 17.A O no hydrogen 2.893 N/A LYS 119.A N LYS 100.A O no hydrogen 2.902 N/A LYS 119.A NZ GLY 120.A O no hydrogen 3.552 N/A GLY 120.A N ASP 19.A O no hydrogen 2.681 N/A ILE 121.A N ASN 98.A O no hydrogen 3.111 N/A PHE 123.A N ASN 21.A OD1 no hydrogen 3.022 N/A LYS 124.A N ASP 96.A OD1 no hydrogen 2.923 N/A LYS 124.A NZ ASP 95.A O no hydrogen 2.890 N/A GLY 127.A N LYS 124.A O no hydrogen 2.821 N/A ASN 128.A ND2 GLN 170.A OE1 no hydrogen 2.884 N/A GLY 131.A N GLY 127.A O no hydrogen 2.697 N/A HIS 132.A N ILE 129.A O no hydrogen 3.097 N/A LYS 133.A N ASN 128.A O no hydrogen 2.856 N/A LYS 133.A NZ ASP 126.A O no hydrogen 2.741 N/A GLU 135.A N ASN 163.A O no hydrogen 2.941 N/A TYR 136.A OH SER 201.A O no hydrogen 2.735 N/A ASN 139.A ND2 ARG 161.A O no hydrogen 2.942 N/A ASN 139.A ND2 ASN 163.A OD1 no hydrogen 3.167 N/A HIS 141.A N THR 196.A O no hydrogen 3.103 N/A ASN 142.A ND2 TYR 144.A OH no hydrogen 3.224 N/A VAL 143.A N LEU 194.A O no hydrogen 2.710 N/A TYR 144.A N ASN 157.A O no hydrogen 3.247 N/A ILE 145.A N HIS 192.A O no hydrogen 2.802 N/A THR 146.A N LYS 155.A O no hydrogen 2.785 N/A THR 146.A OG1 ASN 191.A OD1 no hydrogen 2.773 N/A ASP 148.A N GLY 153.A O no hydrogen 2.949 N/A LYS 151.A N ASP 148.A O no hydrogen 2.980 N/A ASN 152.A N LYS 149.A O no hydrogen 3.069 N/A GLY 153.A N ASP 148.A O no hydrogen 3.231 N/A ILE 154.A N ASN 178.A O no hydrogen 3.258 N/A LYS 155.A N THR 146.A O no hydrogen 2.762 N/A ALA 156.A N GLN 176.A O no hydrogen 2.915 N/A ASN 157.A N TYR 144.A O no hydrogen 3.020 N/A PHE 158.A N HIS 174.A O no hydrogen 3.216 N/A ILE 160.A N ALA 172.A O no hydrogen 3.013 N/A ARG 161.A N HIS 141.A NE2 no hydrogen 2.998 N/A HIS 162.A N GLN 170.A O no hydrogen 2.856 N/A ILE 164.A N SER 168.A O no hydrogen 2.897 N/A GLU 165.A N LYS 133.A O no hydrogen 2.812 N/A GLY 167.A N ILE 164.A O no hydrogen 2.802 N/A SER 168.A N ASP 166.A OD1 no hydrogen 2.970 N/A SER 168.A OG ASP 166.A OD1 no hydrogen 2.708 N/A GLN 170.A N HIS 162.A O no hydrogen 2.771 N/A GLN 170.A NE2 LYS 94.A O no hydrogen 2.815 N/A GLN 170.A NE2 LEU 171.A O no hydrogen 3.385 N/A ALA 172.A N ILE 160.A O no hydrogen 2.876 N/A ASP 173.A N SER 92.A O no hydrogen 2.833 N/A HIS 174.A N PHE 158.A O no hydrogen 2.852 N/A HIS 174.A ND1 ALA 172.A O no hydrogen 2.994 N/A HIS 174.A NE2 THR 60.A OG1 no hydrogen 2.719 N/A TYR 175.A N THR 90.A O no hydrogen 2.897 N/A GLN 176.A N ALA 156.A O no hydrogen 2.887 N/A GLN 176.A NE2 GLN 64.A OE1 no hydrogen 3.061 N/A GLN 176.A NE2 ASN 178.A OD1 no hydrogen 2.836 N/A GLN 177.A N GLU 88.A O no hydrogen 2.903 N/A GLN 177.A NE2 ASP 148.A OD1 no hydrogen 3.013 N/A GLN 177.A NE2 ASN 178.A O no hydrogen 3.686 N/A ASN 178.A N ILE 154.A O no hydrogen 2.946 N/A ASN 178.A ND2 GLN 87.A OE1 no hydrogen 3.034 N/A THR 179.A N VAL 86.A O no hydrogen 3.000 N/A ILE 181.A N GLY 84.A O no hydrogen 2.865 N/A LEU 187.A N SER 80.A OG no hydrogen 2.857 N/A ASP 190.A N HIS 75.A ND1 no hydrogen 2.851 N/A HIS 192.A N ILE 145.A O no hydrogen 3.296 N/A HIS 192.A ND1 ASP 190.A O no hydrogen 2.827 N/A HIS 192.A NE2 TYR 69.A OH no hydrogen 2.588 N/A TYR 193.A N ALA 219.A O no hydrogen 3.115 N/A LEU 194.A N VAL 143.A O no hydrogen 2.767 N/A SER 195.A N THR 217.A O no hydrogen 2.796 N/A THR 196.A N HIS 141.A O no hydrogen 2.852 N/A GLN 197.A N PHE 215.A O no hydrogen 2.939 N/A SER 198.A OG GLU 214.A OE1 no hydrogen 2.738 N/A ALA 199.A N LEU 213.A O no hydrogen 2.902 N/A SER 201.A N VAL 211.A O no hydrogen 2.999 N/A LYS 202.A NZ HIS 210.A O no hydrogen 2.810 N/A ASP 203.A N HIS 210.A NE2 no hydrogen 2.758 N/A ASN 205.A N ASP 203.A OD1 no hydrogen 3.199 N/A GLU 206.A N ASP 203.A O no hydrogen 2.854 N/A ARG 208.A N GLU 206.A OE2 no hydrogen 3.067 N/A ARG 208.A NH1 GLU 206.A OE2 no hydrogen 2.765 N/A HIS 210.A ND1 ARG 208.A O no hydrogen 2.875 N/A LEU 212.A N LEU 42.A O no hydrogen 2.703 N/A LEU 213.A N ALA 199.A O no hydrogen 3.062 N/A GLU 214.A N LEU 40.A O no hydrogen 2.842 N/A PHE 215.A N GLN 197.A O no hydrogen 2.924 N/A VAL 216.A N GLY 38.A O no hydrogen 2.828 N/A THR 217.A N SER 195.A O no hydrogen 3.005 N/A ALA 218.A N ARG 68.A O no hydrogen 2.782 N/A ALA 219.A N TYR 193.A O no hydrogen 2.932 N/A