Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qk3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A NZ LYS 13.A O no hydrogen 3.100 N/A ASP 8.A N PRO 5.A O no hydrogen 3.025 N/A TYR 9.A N ILE 6.A O no hydrogen 3.051 N/A TYR 9.A OH LEU 155.A O no hydrogen 2.777 N/A LYS 11.A N ASP 8.A O no hydrogen 2.989 N/A LYS 11.A NZ GLU 7.A O no hydrogen 2.995 N/A LYS 11.A NZ ASP 8.A OD1 no hydrogen 3.331 N/A ARG 15.A N GLY 12.A O no hydrogen 3.434 N/A ARG 15.A NE GLU 17.A OE2 no hydrogen 3.115 N/A ARG 15.A NH1 GLU 177.A OE2 no hydrogen 2.840 N/A ARG 15.A NH1 GLY 188.A O no hydrogen 2.983 N/A ARG 15.A NH2 GLU 17.A OE1 no hydrogen 2.948 N/A ARG 15.A NH2 GLU 177.A OE1 no hydrogen 2.996 N/A MET 19.A N GLY 192.A O no hydrogen 3.124 N/A ILE 21.A N SER 194.A O no hydrogen 2.945 N/A ASN 24.A N GLU 196.A OE2 no hydrogen 2.962 N/A THR 25.A OG1 PRO 22.A O no hydrogen 3.213 N/A THR 25.A OG1 ASP 23.A O no hydrogen 2.989 N/A TYR 27.A N ILE 45.A O no hydrogen 2.794 N/A ALA 29.A N ASP 43.A O no hydrogen 3.305 N/A ASP 30.A N ASN 28.A OD1 no hydrogen 3.053 N/A ASP 31.A N ASN 28.A O no hydrogen 3.072 N/A PHE 32.A N ALA 29.A O no hydrogen 3.108 N/A HIS 37.A NE2 ASP 213.A OD1 no hydrogen 2.665 N/A CYS 38.A N PRO 35.A O no hydrogen 2.952 N/A CYS 38.A SG MET 210.A O no hydrogen 3.846 N/A LYS 39.A N PRO 36.A O no hydrogen 3.111 N/A LYS 39.A NZ VAL 34.A O no hydrogen 2.558 N/A TYR 41.A N CYS 38.A O no hydrogen 2.825 N/A ILE 42.A N LYS 39.A O no hydrogen 3.361 N/A ILE 45.A N TYR 27.A O no hydrogen 3.000 N/A LEU 46.A N VAL 217.A O no hydrogen 2.843 N/A LEU 47.A N VAL 217.A O no hydrogen 3.126 N/A GLY 49.A N HIS 216.A ND1 no hydrogen 2.974 N/A VAL 52.A N PRO 48.A O no hydrogen 2.999 N/A LYS 53.A N GLY 49.A O no hydrogen 3.023 N/A ASP 54.A N GLY 50.A O no hydrogen 2.956 N/A ARG 55.A N LEU 51.A O no hydrogen 3.050 N/A ARG 55.A NE GLY 192.A O no hydrogen 2.914 N/A ARG 55.A NH2 VAL 191.A O no hydrogen 3.083 N/A ARG 55.A NH2 GLY 192.A O no hydrogen 3.181 N/A VAL 56.A N VAL 52.A O no hydrogen 2.929 N/A GLU 57.A N LYS 53.A O no hydrogen 3.012 N/A LYS 58.A N ASP 54.A O no hydrogen 3.204 N/A LYS 58.A NZ ASP 62.A OD1 no hydrogen 2.984 N/A LYS 58.A NZ ASP 62.A OD2 no hydrogen 3.447 N/A LEU 59.A N ARG 55.A O no hydrogen 2.912 N/A ALA 60.A N VAL 56.A O no hydrogen 2.935 N/A TYR 61.A N GLU 57.A O no hydrogen 3.118 N/A ASP 62.A N LYS 58.A O no hydrogen 2.953 N/A ILE 63.A N LEU 59.A O no hydrogen 2.848 N/A HIS 64.A N ALA 60.A O no hydrogen 2.957 N/A ARG 65.A N TYR 61.A O no hydrogen 3.077 N/A THR 66.A N ASP 62.A O no hydrogen 3.159 N/A THR 66.A OG1 ASP 62.A O no hydrogen 3.246 N/A TYR 67.A N ILE 63.A O no hydrogen 3.084 N/A GLU 70.A N TYR 67.A O no hydrogen 2.861 N/A HIS 73.A N HIS 141.A O no hydrogen 3.052 N/A HIS 73.A ND1 HIS 111.A NE2 no hydrogen 2.877 N/A HIS 73.A NE2 GLU 71.A OE1 no hydrogen 2.721 N/A ILE 74.A N PHE 109.A O no hydrogen 2.836 N/A ILE 75.A N LEU 143.A O no hydrogen 2.802 N/A CYS 76.A N HIS 111.A O no hydrogen 2.806 N/A CYS 76.A SG.B ILE 77.A O no hydrogen 3.450 N/A LEU 78.A N VAL 113.A O no hydrogen 3.078 N/A ARG 82.A NE CYS 203.A O no hydrogen 3.136 N/A ARG 82.A NH1 ASP 215.A OD2 no hydrogen 3.212 N/A ARG 82.A NH2 CYS 203.A O no hydrogen 3.231 N/A ARG 82.A NH2 ASP 215.A OD2 no hydrogen 3.076 N/A GLY 83.A N GLY 80.A O no hydrogen 2.943 N/A PHE 84.A N ASP 147.A OD1 no hydrogen 2.971 N/A ASN 86.A N GLY 83.A O no hydrogen 3.254 N/A ASN 86.A ND2 SER 81.A O no hydrogen 3.126 N/A LEU 88.A N PHE 84.A O no hydrogen 2.917 N/A ILE 89.A N PHE 85.A O no hydrogen 2.843 N/A ASP 90.A N ASN 86.A O no hydrogen 3.004 N/A TYR 91.A N LEU 87.A O no hydrogen 3.255 N/A LEU 92.A N LEU 88.A O no hydrogen 2.976 N/A ALA 93.A N ILE 89.A O no hydrogen 2.863 N/A THR 94.A N ASP 90.A O no hydrogen 3.165 N/A THR 94.A OG1 ASP 90.A O no hydrogen 3.216 N/A ILE 95.A N TYR 91.A O no hydrogen 3.053 N/A GLN 96.A N LEU 92.A O no hydrogen 2.956 N/A LYS 97.A N ALA 93.A O no hydrogen 2.958 N/A TYR 98.A N THR 94.A O no hydrogen 3.188 N/A TYR 98.A N ILE 95.A O no hydrogen 3.154 N/A GLY 100.A N GLU 102.A OE2 no hydrogen 3.030 N/A ARG 101.A N SER 99.A OG no hydrogen 3.140 N/A ARG 101.A NH1 GLY 100.A O no hydrogen 2.630 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.853 N/A SER 104.A N ARG 101.A O no hydrogen 3.225 N/A SER 104.A OG ARG 101.A O no hydrogen 3.348 N/A PHE 108.A N GLN 96.A OE1 no hydrogen 3.032 N/A PHE 109.A N LEU 72.A O no hydrogen 2.907 N/A HIS 111.A N ILE 74.A O no hydrogen 2.831 N/A HIS 111.A NE2 HIS 73.A ND1 no hydrogen 2.877 N/A VAL 113.A N CYS 76.A O no hydrogen 2.998 N/A ARG 114.A N LEU 130.A O no hydrogen 2.775 N/A TYR 118.A N SER 131.A OG.A no hydrogen 2.627 N/A ASN 122.A N ASN 120.A OD1 no hydrogen 2.724 N/A ASN 122.A ND2 ASN 120.A OD1 no hydrogen 3.324 N/A ASN 122.A ND2 VAL 129.A O no hydrogen 3.109 N/A GLN 126.A N SER 123.A O no hydrogen 3.011 N/A VAL 129.A N ASN 122.A OD1 no hydrogen 2.865 N/A LEU 130.A N TYR 112.A O no hydrogen 2.941 N/A SER 131.A OG.A LYS 116.A O no hydrogen 2.523 N/A SER 131.A OG.A TYR 118.A O no hydrogen 3.401 N/A SER 131.A OG.B TYR 118.A O no hydrogen 2.863 N/A SER 131.A OG.B ASP 132.A OD1 no hydrogen 3.535 N/A SER 135.A N ASP 133.A OD1 no hydrogen 2.965 N/A SER 135.A OG ASP 133.A OD1 no hydrogen 2.766 N/A SER 135.A OG ASP 133.A OD2 no hydrogen 3.350 N/A PHE 137.A N LEU 134.A O no hydrogen 3.099 N/A ARG 138.A N SER 135.A O no hydrogen 3.106 N/A ASP 139.A N GLY 166.A O no hydrogen 2.884 N/A LYS 140.A N PHE 137.A O no hydrogen 3.093 N/A LYS 140.A NZ GLU 71.A OE1 no hydrogen 2.886 N/A HIS 141.A ND1 SER 169.A OG no hydrogen 2.794 N/A VAL 142.A N SER 169.A O no hydrogen 3.034 N/A LEU 143.A N HIS 73.A O no hydrogen 2.963 N/A ILE 144.A N ARG 171.A O no hydrogen 2.970 N/A VAL 145.A N ILE 75.A O no hydrogen 2.823 N/A GLU 146.A N ALA 173.A O no hydrogen 3.169 N/A VAL 149.A N VAL 176.A O no hydrogen 3.054 N/A PHE 153.A N THR 151.A OG1 no hydrogen 3.156 N/A THR 156.A N GLY 152.A O no hydrogen 2.976 N/A THR 156.A OG1 GLY 152.A O no hydrogen 2.868 N/A GLU 157.A N PHE 153.A O no hydrogen 3.043 N/A PHE 158.A N THR 154.A O no hydrogen 3.084 N/A GLY 159.A N LEU 155.A O no hydrogen 2.954 N/A GLU 160.A N THR 156.A O no hydrogen 3.178 N/A ARG 161.A N GLU 157.A O no hydrogen 3.333 N/A ARG 161.A NH1 LEU 115.A O no hydrogen 2.880 N/A ARG 161.A NH2 SER 131.A O no hydrogen 2.787 N/A LEU 162.A N PHE 158.A O no hydrogen 3.026 N/A LYS 163.A N GLY 159.A O no hydrogen 3.025 N/A LYS 163.A NZ GLU 160.A OE2 no hydrogen 3.140 N/A ALA 164.A N ARG 161.A O no hydrogen 3.258 N/A VAL 165.A N LEU 162.A O no hydrogen 3.232 N/A GLY 166.A N LYS 163.A O no hydrogen 3.125 N/A LYS 168.A N LYS 140.A O no hydrogen 2.928 N/A SER 169.A N LYS 140.A O no hydrogen 3.336 N/A SER 169.A OG HIS 141.A ND1 no hydrogen 2.794 N/A ARG 171.A N VAL 142.A O no hydrogen 2.960 N/A ARG 171.A NH1 ALA 2.A O no hydrogen 2.782 N/A ARG 171.A NH2 ALA 2.A O no hydrogen 3.292 N/A ARG 171.A NH2 SER 3.A O no hydrogen 3.317 N/A ILE 172.A N ASP 189.A OD2 no hydrogen 2.816 N/A ALA 173.A N ILE 144.A O no hydrogen 2.894 N/A THR 174.A N PHE 190.A O no hydrogen 2.994 N/A THR 174.A OG1 GLU 146.A O no hydrogen 3.042 N/A THR 174.A OG1 VAL 176.A O no hydrogen 3.383 N/A GLU 177.A N PHE 193.A O no hydrogen 2.853 N/A LYS 178.A N VAL 149.A O no hydrogen 3.220 N/A LYS 178.A NZ ASP 150.A OD2 no hydrogen 3.214 N/A LYS 178.A NZ VAL 198.A O no hydrogen 3.053 N/A ARG 179.A N ILE 195.A O no hydrogen 2.904 N/A ARG 179.A NH1 ILE 21.A O no hydrogen 3.169 N/A ARG 179.A NH1 SER 194.A O no hydrogen 3.064 N/A ARG 179.A NH1 SER 194.A OG no hydrogen 3.005 N/A ARG 179.A NH2 ILE 21.A O no hydrogen 2.917 N/A ARG 179.A NH2 ASP 23.A OD1 no hydrogen 2.898 N/A ARG 182.A NH1 THR 151.A O no hydrogen 2.501 N/A LYS 187.A N GLY 10.A O no hydrogen 2.864 N/A ASP 189.A N ILE 172.A O no hydrogen 2.864 N/A PHE 190.A N ILE 172.A O no hydrogen 2.941 N/A GLY 192.A N THR 174.A O no hydrogen 3.151 N/A PHE 193.A N LEU 175.A O no hydrogen 2.879 N/A SER 194.A N MET 19.A O no hydrogen 2.924 N/A ILE 195.A N GLU 177.A O no hydrogen 3.130 N/A VAL 201.A N ALA 218.A O no hydrogen 2.850 N/A GLY 202.A N TYR 205.A O no hydrogen 2.841 N/A CYS 203.A N PHE 214.A O no hydrogen 2.970 N/A TYR 205.A N GLY 202.A O no hydrogen 3.004 N/A TYR 205.A OH ASP 147.A O no hydrogen 2.753 N/A PHE 207.A N ASP 206.A OD1 no hydrogen 2.746 N/A MET 210.A N PHE 207.A O no hydrogen 3.110 N/A PHE 211.A N ASP 206.A OD1 no hydrogen 2.741 N/A ARG 212.A NH1 GLU 209.A O no hydrogen 2.828 N/A PHE 214.A N PHE 211.A O no hydrogen 3.095 N/A HIS 216.A NE2 LEU 33.A O no hydrogen 3.049 N/A VAL 217.A N LEU 47.A O no hydrogen 2.960 N/A ALA 218.A N VAL 201.A O no hydrogen 2.877 N/A LEU 220.A N TRP 199.A O no hydrogen 2.853 N/A SER 221.A OG TYR 41.A O no hydrogen 3.069 N/A ALA 224.A N SER 221.A OG no hydrogen 3.060 N/A ARG 225.A N SER 221.A O no hydrogen 2.845 N/A LYS 226.A N ASP 222.A O no hydrogen 2.584 N/A LYS 227.A N ALA 223.A O no hydrogen 3.087 N/A PHE 228.A N ALA 224.A O no hydrogen 3.503 N/A