Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tqj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ASN 39.A OD1 no hydrogen 3.307 N/A PHE 2.A N ASN 39.A OD1 no hydrogen 2.961 N/A TYR 9.A OH TRP 77.A O no hydrogen 2.740 N/A ALA 13.A N LYS 10.A O no hydrogen 3.058 N/A GLU 15.A N ASN 12.A O no hydrogen 3.365 N/A HIS 17.A N LEU 14.A O no hydrogen 2.848 N/A ILE 18.A N LEU 14.A O no hydrogen 2.983 N/A SER 19.A N ASP 165.A OD2 no hydrogen 3.152 N/A SER 19.A OG THR 22.A OG1 no hydrogen 3.118 N/A SER 19.A OG ASP 165.A OD1 no hydrogen 2.585 N/A SER 19.A OG ASP 165.A OD2 no hydrogen 3.333 N/A GLN 20.A N GLU 15.A OE2 no hydrogen 2.841 N/A GLN 20.A NE2 GLU 24.A OE2 no hydrogen 2.993 N/A THR 22.A N SER 19.A OG no hydrogen 3.010 N/A THR 22.A OG1 SER 19.A OG no hydrogen 3.118 N/A THR 22.A OG1 ASP 165.A OD1 no hydrogen 3.158 N/A THR 22.A OG1 ASP 165.A OD2 no hydrogen 2.643 N/A LEU 23.A N SER 19.A O no hydrogen 3.195 N/A GLU 24.A N GLN 20.A O no hydrogen 2.835 N/A TYR 25.A N GLU 21.A O no hydrogen 3.010 N/A HIS 26.A N THR 22.A O no hydrogen 2.634 N/A HIS 27.A N LEU 23.A O no hydrogen 2.910 N/A HIS 27.A NE2 PRO 5.A O no hydrogen 2.782 N/A LYS 29.A N TYR 25.A O no hydrogen 3.000 N/A HIS 30.A N TYR 25.A O no hydrogen 2.947 N/A HIS 31.A N HIS 26.A O no hydrogen 2.969 N/A HIS 31.A NE2 HIS 70.A ND1 no hydrogen 2.872 N/A ARG 32.A N HIS 27.A O no hydrogen 3.240 N/A ARG 32.A NE GLY 28.A O no hydrogen 2.877 N/A ALA 33.A N LYS 29.A O no hydrogen 2.904 N/A TYR 34.A N HIS 30.A O no hydrogen 3.182 N/A VAL 35.A N HIS 31.A O no hydrogen 3.098 N/A ASN 36.A N ARG 32.A O no hydrogen 3.071 N/A LYS 37.A N ALA 33.A O no hydrogen 2.842 N/A LEU 38.A N TYR 34.A O no hydrogen 2.933 N/A ASN 39.A N VAL 35.A O no hydrogen 3.048 N/A ASN 39.A ND2 PHE 2.A O no hydrogen 2.894 N/A LYS 40.A N ASN 36.A O no hydrogen 3.277 N/A LEU 41.A N LYS 37.A O no hydrogen 3.043 N/A ILE 42.A N LEU 38.A O no hydrogen 3.084 N/A GLY 44.A N GLU 48.A OE1 no hydrogen 2.554 N/A THR 45.A N ILE 42.A O no hydrogen 3.198 N/A THR 45.A OG1 ILE 42.A O no hydrogen 2.727 N/A PHE 47.A N THR 45.A OG1 no hydrogen 3.234 N/A GLU 48.A N THR 45.A O no hydrogen 3.093 N/A GLU 50.A N PHE 47.A O no hydrogen 3.454 N/A ILE 55.A N PRO 51.A O no hydrogen 3.015 N/A ILE 56.A N LEU 52.A O no hydrogen 3.042 N/A ARG 57.A N GLU 53.A O no hydrogen 3.050 N/A LYS 58.A N GLU 54.A O no hydrogen 3.122 N/A LYS 58.A N ILE 55.A O no hydrogen 3.233 N/A SER 59.A N ILE 55.A O no hydrogen 2.835 N/A SER 59.A OG ILE 55.A O no hydrogen 2.585 N/A PHE 64.A N ASP 60.A O no hydrogen 3.297 N/A ASN 65.A N GLY 61.A O no hydrogen 3.053 N/A ASN 66.A N GLY 62.A O no hydrogen 3.047 N/A ASN 66.A ND2 GLY 62.A O no hydrogen 2.816 N/A ALA 67.A N ILE 63.A O no hydrogen 2.954 N/A ALA 68.A N PHE 64.A O no hydrogen 2.708 N/A GLN 69.A N ASN 65.A O no hydrogen 2.972 N/A GLN 69.A NE2 TYR 34.A OH no hydrogen 2.941 N/A HIS 70.A N ASN 66.A O no hydrogen 2.947 N/A HIS 70.A ND1 HIS 31.A NE2 no hydrogen 2.872 N/A TRP 71.A N ALA 67.A O no hydrogen 3.053 N/A TRP 71.A NE1 GLU 53.A OE1 no hydrogen 2.935 N/A ASN 72.A N ALA 68.A O no hydrogen 2.752 N/A ASN 72.A ND2 GLN 69.A OE1 no hydrogen 3.359 N/A ASN 72.A ND2 ALA 141.A O no hydrogen 3.030 N/A HIS 73.A N GLN 69.A O no hydrogen 2.955 N/A HIS 73.A ND1 GLN 69.A O no hydrogen 2.602 N/A THR 74.A N HIS 70.A O no hydrogen 3.120 N/A THR 74.A OG1 HIS 70.A O no hydrogen 2.860 N/A PHE 75.A N TRP 71.A O no hydrogen 2.972 N/A TYR 76.A N ASN 72.A O no hydrogen 2.965 N/A TYR 76.A OH TYR 173.A OH no hydrogen 2.770 N/A TRP 77.A N HIS 73.A O no hydrogen 2.969 N/A TRP 77.A NE1 HIS 31.A ND1 no hydrogen 3.093 N/A CYS 79.A N PHE 75.A O no hydrogen 3.180 N/A CYS 79.A N TYR 76.A O no hydrogen 3.055 N/A CYS 79.A SG PHE 75.A O no hydrogen 3.325 N/A MET 80.A N TRP 77.A O no hydrogen 3.324 N/A SER 81.A N VAL 180.A O no hydrogen 2.927 N/A ASP 83.A N SER 81.A OG no hydrogen 3.004 N/A GLY 84.A N SER 81.A O no hydrogen 2.963 N/A GLY 85.A N VAL 181.A O no hydrogen 2.747 N/A ALA 93.A N SER 89.A O no hydrogen 3.241 N/A SER 94.A N GLY 90.A O no hydrogen 3.036 N/A ALA 95.A N GLU 91.A O no hydrogen 2.825 N/A ILE 96.A N LEU 92.A O no hydrogen 2.973 N/A ASP 97.A N ALA 93.A O no hydrogen 3.003 N/A LYS 98.A N SER 94.A O no hydrogen 3.003 N/A THR 99.A N ALA 95.A O no hydrogen 2.991 N/A THR 99.A OG1 ALA 95.A O no hydrogen 3.063 N/A PHE 100.A N ILE 96.A O no hydrogen 2.994 N/A GLY 101.A N ASP 97.A O no hydrogen 2.899 N/A LYS 105.A N SER 102.A OG no hydrogen 3.129 N/A PHE 106.A N SER 102.A O no hydrogen 3.190 N/A LYS 107.A N LEU 103.A O no hydrogen 2.872 N/A ALA 108.A N GLU 104.A O no hydrogen 2.885 N/A LEU 109.A N LYS 105.A O no hydrogen 2.907 N/A PHE 110.A N PHE 106.A O no hydrogen 2.821 N/A THR 111.A N LYS 107.A O no hydrogen 2.818 N/A THR 111.A OG1 LYS 107.A O no hydrogen 2.739 N/A ASP 112.A N ALA 108.A O no hydrogen 2.949 N/A SER 113.A N LEU 109.A O no hydrogen 3.013 N/A ALA 114.A N PHE 110.A O no hydrogen 2.897 N/A ASN 115.A N THR 111.A O no hydrogen 2.762 N/A ASN 116.A N ASP 112.A O no hydrogen 2.830 N/A HIS 117.A ND1 SER 137.A OG no hydrogen 2.903 N/A HIS 117.A NE2 SER 120.A O no hydrogen 3.013 N/A TRP 122.A N THR 138.A O no hydrogen 3.188 N/A TRP 122.A NE1 GLN 69.A OE1 no hydrogen 3.034 N/A ALA 123.A N CYS 155.A O no hydrogen 3.046 N/A TRP 124.A N LEU 136.A O no hydrogen 2.751 N/A TRP 124.A NE1 THR 138.A OG1 no hydrogen 2.766 N/A LEU 125.A N MET 153.A O no hydrogen 2.975 N/A VAL 126.A N GLU 134.A O no hydrogen 2.863 N/A LYS 127.A N LYS 150.A O no hydrogen 2.847 N/A LYS 127.A NZ PHE 190.A O no hydrogen 2.895 N/A LYS 127.A NZ SER 192.A O no hydrogen 2.613 N/A ASP 128.A N LYS 132.A O no hydrogen 3.077 N/A GLY 131.A N ASP 128.A O no hydrogen 2.776 N/A LYS 132.A N ASP 128.A OD1 no hydrogen 2.805 N/A GLU 134.A N VAL 126.A O no hydrogen 3.022 N/A LEU 136.A N TRP 124.A O no hydrogen 3.159 N/A SER 137.A OG HIS 117.A ND1 no hydrogen 2.903 N/A THR 138.A N TRP 122.A O no hydrogen 2.906 N/A THR 138.A OG1 ARG 142.A O no hydrogen 2.701 N/A ASN 140.A N SER 120.A O no hydrogen 2.916 N/A ARG 142.A N VAL 139.A O no hydrogen 3.042 N/A ASN 143.A ND2 ASN 72.A OD1 no hydrogen 2.731 N/A MET 145.A N ASN 143.A OD1 no hydrogen 2.972 N/A THR 146.A N ASN 143.A O no hydrogen 3.123 N/A THR 146.A OG1 ASN 143.A O no hydrogen 2.883 N/A THR 146.A OG1 GLU 147.A OE1 no hydrogen 3.119 N/A THR 146.A OG1 GLU 147.A OE2 no hydrogen 2.638 N/A GLU 147.A N PRO 144.A O no hydrogen 2.928 N/A GLY 148.A N MET 145.A O no hydrogen 3.143 N/A LYS 149.A N PRO 144.A O no hydrogen 3.173 N/A LYS 149.A NZ GLU 134.A OE1 no hydrogen 3.466 N/A LYS 149.A NZ GLU 134.A OE2 no hydrogen 2.802 N/A LYS 150.A N LYS 127.A O no hydrogen 2.883 N/A LYS 150.A NZ ASN 189.A O no hydrogen 2.772 N/A LYS 150.A NZ SER 192.A O no hydrogen 2.796 N/A LEU 152.A N LEU 125.A O no hydrogen 2.762 N/A MET 153.A N LEU 125.A O no hydrogen 3.212 N/A THR 154.A OG1 ALA 123.A O no hydrogen 3.066 N/A CYS 155.A N ALA 123.A O no hydrogen 3.001 N/A CYS 155.A SG ASP 156.A O no hydrogen 3.800 N/A CYS 155.A SG TYR 173.A OH no hydrogen 3.409 N/A VAL 157.A N GLY 121.A O no hydrogen 2.843 N/A TRP 158.A N ASP 156.A OD1 no hydrogen 3.070 N/A TRP 158.A NE1 ASN 140.A O no hydrogen 2.964 N/A ALA 161.A N TRP 158.A O no hydrogen 3.008 N/A TYR 162.A N GLU 159.A O no hydrogen 3.169 N/A TYR 163.A N GLU 159.A O no hydrogen 2.832 N/A ASP 165.A N TYR 162.A O no hydrogen 2.820 N/A THR 166.A N TYR 162.A O no hydrogen 2.764 N/A THR 166.A OG1 TYR 162.A O no hydrogen 3.458 N/A THR 166.A OG1 ASP 169.A O no hydrogen 2.982 N/A ARG 167.A N TYR 163.A O no hydrogen 3.047 N/A ARG 167.A NH1 TYR 163.A O no hydrogen 2.885 N/A ASP 169.A N THR 166.A O no hydrogen 3.029 N/A ARG 170.A N ASN 168.A O no hydrogen 3.022 N/A ARG 170.A NE TYR 162.A OH no hydrogen 3.141 N/A ARG 170.A NH1 ALA 114.A O no hydrogen 2.745 N/A ARG 170.A NH1 HIS 117.A O no hydrogen 2.738 N/A ARG 170.A NH2 HIS 117.A O no hydrogen 3.256 N/A ARG 170.A NH2 GLY 119.A O no hydrogen 3.340 N/A LYS 172.A N ASP 169.A OD1 no hydrogen 3.020 N/A TYR 173.A N ASP 169.A O no hydrogen 3.460 N/A TYR 173.A OH TYR 76.A OH no hydrogen 2.770 N/A TYR 173.A OH ASP 156.A O no hydrogen 2.632 N/A VAL 174.A N ARG 170.A O no hydrogen 2.958 N/A ASN 175.A N PRO 171.A O no hydrogen 3.063 N/A ASN 176.A N LYS 172.A O no hydrogen 2.998 N/A PHE 177.A N TYR 173.A O no hydrogen 2.770 N/A TRP 178.A N VAL 174.A O no hydrogen 3.094 N/A TRP 178.A NE1 THR 111.A OG1 no hydrogen 2.866 N/A GLN 179.A N ASN 176.A O no hydrogen 3.138 N/A VAL 180.A N PHE 177.A O no hydrogen 3.071 N/A ASN 182.A N CYS 79.A O no hydrogen 2.774 N/A ASN 182.A ND2 HIS 78.A O no hydrogen 3.078 N/A TRP 183.A NE1 GLY 86.A O no hydrogen 2.811 N/A VAL 186.A N ASN 182.A O no hydrogen 3.264 N/A MET 187.A N TRP 183.A O no hydrogen 2.778 N/A LYS 188.A N ASP 184.A O no hydrogen 2.995 N/A ASN 189.A N PHE 185.A O no hydrogen 2.943 N/A ASN 189.A ND2 LEU 152.A O no hydrogen 3.084 N/A PHE 190.A N VAL 186.A O no hydrogen 2.864 N/A LYS 191.A N MET 187.A O no hydrogen 3.017 N/A LYS 191.A N LYS 188.A O no hydrogen 3.214 N/A