Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f4r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N GLU 4.A OE1 no hydrogen 3.425 N/A SER 2.A OG HIS 169.A ND1 no hydrogen 3.382 N/A ASN 3.A ND2 SER 165.A O no hydrogen 3.526 N/A LEU 5.A N.A THR 1.A O no hydrogen 3.220 N/A LEU 5.A N.A SER 2.A O no hydrogen 3.017 N/A LEU 5.A N.B THR 1.A O no hydrogen 3.212 N/A LEU 5.A N.B SER 2.A O no hydrogen 3.036 N/A LEU 6.A N SER 2.A O no hydrogen 3.246 N/A LEU 6.A N ASN 3.A O no hydrogen 3.312 N/A LEU 9.A N ASP 12.A OD2 no hydrogen 2.782 N/A ASP 12.A N LEU 9.A O no hydrogen 2.966 N/A LYS 13.A NZ GLU 80.A O no hydrogen 2.865 N/A LEU 15.A N TYR 58.A O no hydrogen 2.948 N/A GLY 16.A N GLN 82.A OE1 no hydrogen 2.880 N/A LYS 19.A N ASP 17.A OD1 no hydrogen 2.831 N/A ALA 20.A N ASP 17.A O no hydrogen 2.982 N/A ILE 22.A N LYS 55.A O no hydrogen 3.065 N/A LEU 23.A N LYS 159.A O.A no hydrogen 2.785 N/A LEU 23.A N LYS 159.A O.B no hydrogen 2.825 N/A MET 24.A N LEU 57.A O no hydrogen 2.918 N/A ILE 25.A N PHE 157.A O no hydrogen 2.870 N/A GLU 26.A N ILE 59.A O no hydrogen 2.914 N/A TYR 27.A N ILE 155.A O.A no hydrogen 2.974 N/A TYR 27.A N ILE 155.A O.B no hydrogen 2.912 N/A ALA 28.A N ARG 61.A O no hydrogen 3.431 N/A SER 29.A N THR 153.A OG1.A no hydrogen 3.373 N/A SER 29.A N THR 153.A OG1.B no hydrogen 3.317 N/A THR 31.A N SER 29.A OG no hydrogen 3.191 N/A THR 31.A OG1 SER 29.A OG no hydrogen 3.017 N/A THR 31.A OG1 ASP 66.A OD2 no hydrogen 2.788 N/A CYS 32.A N.A SER 29.A O no hydrogen 3.314 N/A CYS 32.A N.B SER 29.A O no hydrogen 3.288 N/A CYS 32.A SG.A THR 153.A O.A no hydrogen 3.865 N/A CYS 32.A SG.B THR 153.A O.A no hydrogen 3.706 N/A CYS 32.A SG.B THR 153.A OG1.A no hydrogen 3.666 N/A CYS 35.A SG.A SER 29.A O no hydrogen 3.803 N/A CYS 35.A SG.A THR 153.A OG1.A no hydrogen 3.098 N/A CYS 35.A SG.A THR 153.A OG1.B no hydrogen 3.314 N/A CYS 35.A SG.B THR 153.A OG1.A no hydrogen 3.375 N/A CYS 35.A SG.B THR 153.A OG1.B no hydrogen 3.601 N/A SER 36.A N.A CYS 32.A O.A no hydrogen 2.873 N/A SER 36.A N.A CYS 32.A O.B no hydrogen 2.878 N/A SER 36.A N.B CYS 32.A O.A no hydrogen 2.978 N/A SER 36.A N.B CYS 32.A O.B no hydrogen 2.977 N/A SER 36.A OG.A PHE 93.A O no hydrogen 2.623 N/A SER 36.A OG.B TYR 33.A O no hydrogen 2.692 N/A LEU 37.A N TYR 33.A O no hydrogen 3.082 N/A PHE 38.A N HIS 34.A O no hydrogen 2.926 N/A HIS 39.A N CYS 35.A O.A no hydrogen 3.058 N/A HIS 39.A N CYS 35.A O.B no hydrogen 2.832 N/A HIS 39.A NE2 GLU 26.A OE2 no hydrogen 2.675 N/A ARG 40.A N.A SER 36.A O.A no hydrogen 2.884 N/A ARG 40.A N.A SER 36.A O.B no hydrogen 2.920 N/A ARG 40.A N.A LEU 37.A O no hydrogen 3.252 N/A ARG 40.A N.B SER 36.A O.A no hydrogen 2.887 N/A ARG 40.A N.B SER 36.A O.B no hydrogen 2.922 N/A ARG 40.A NH1.A SER 36.A OG.A no hydrogen 3.076 N/A ARG 40.A NH1.B ASN 94.A O no hydrogen 2.895 N/A ASN 41.A N LEU 37.A O no hydrogen 2.946 N/A VAL 42.A N PHE 38.A O no hydrogen 2.915 N/A PHE 43.A N PHE 38.A O no hydrogen 2.891 N/A LYS 45.A N VAL 42.A O no hydrogen 3.129 N/A ILE 46.A N VAL 42.A O no hydrogen 3.324 N/A LYS 47.A N PHE 43.A O no hydrogen 2.828 N/A LYS 47.A NZ ASP 52.A OD1 no hydrogen 2.995 N/A LYS 47.A NZ GLU 83.A OE2 no hydrogen 3.190 N/A GLU 48.A N.A PRO 44.A O no hydrogen 3.024 N/A GLU 48.A N.B PRO 44.A O no hydrogen 3.029 N/A LYS 49.A N LYS 45.A O no hydrogen 2.953 N/A TYR 50.A N ILE 46.A O no hydrogen 2.897 N/A TYR 50.A OH ASP 188.A OD1 no hydrogen 2.632 N/A ILE 51.A N LYS 47.A O no hydrogen 3.017 N/A ASP 52.A N LYS 47.A O no hydrogen 2.885 N/A THR 53.A OG1 LYS 49.A O no hydrogen 2.766 N/A GLY 54.A N ILE 51.A O no hydrogen 3.161 N/A LYS 55.A N TYR 50.A O no hydrogen 2.995 N/A MET 56.A N TYR 50.A O no hydrogen 2.905 N/A LEU 57.A N ILE 22.A O no hydrogen 2.795 N/A TYR 58.A N LEU 15.A O no hydrogen 2.846 N/A TYR 58.A OH GLU 26.A OE1 no hydrogen 2.595 N/A ILE 59.A N MET 24.A O no hydrogen 2.824 N/A ARG 61.A N GLU 26.A O no hydrogen 2.770 N/A ARG 61.A NE ASP 12.A OD1 no hydrogen 2.947 N/A ARG 61.A NH1 LEU 5.A O.A no hydrogen 2.843 N/A ARG 61.A NH1 LEU 5.A O.B no hydrogen 2.901 N/A ARG 61.A NH1 TYR 27.A OH no hydrogen 2.945 N/A ARG 61.A NH2 LEU 5.A O.A no hydrogen 3.111 N/A ARG 61.A NH2 LEU 5.A O.B no hydrogen 3.079 N/A ARG 61.A NH2 LEU 7.A O no hydrogen 3.045 N/A ARG 61.A NH2 ASP 12.A OD2 no hydrogen 2.797 N/A HIS 62.A NE2 SER 76.A OG no hydrogen 2.902 N/A PHE 63.A N ALA 28.A O no hydrogen 3.217 N/A GLY 69.A N ASP 66.A OD1 no hydrogen 2.720 N/A LEU 70.A N ASP 66.A O no hydrogen 2.962 N/A LYS 71.A N TYR 67.A O no hydrogen 2.896 N/A LYS 71.A NZ ILE 128.A O no hydrogen 2.771 N/A ALA 72.A N ARG 68.A O.A no hydrogen 2.907 N/A ALA 72.A N ARG 68.A O.B no hydrogen 2.827 N/A ALA 73.A N GLY 69.A O no hydrogen 2.953 N/A MET 74.A N LEU 70.A O no hydrogen 2.862 N/A LEU 75.A N LYS 71.A O no hydrogen 2.907 N/A SER 76.A N ALA 72.A O no hydrogen 2.997 N/A SER 76.A N ALA 73.A O no hydrogen 3.160 N/A SER 76.A OG HIS 62.A NE2 no hydrogen 2.902 N/A SER 76.A OG ALA 73.A O no hydrogen 2.598 N/A SER 76.A OG TYR 85.A OH.A no hydrogen 3.276 N/A HIS 77.A N MET 74.A O no hydrogen 3.139 N/A CYS 78.A N LEU 75.A O no hydrogen 2.930 N/A CYS 78.A SG ALA 123.A O no hydrogen 3.254 N/A TYR 79.A N SER 76.A O no hydrogen 3.115 N/A TYR 79.A OH SER 117.A OG no hydrogen 2.699 N/A TYR 85.A N.A LYS 81.A O no hydrogen 3.000 N/A TYR 85.A N.B LYS 81.A O no hydrogen 3.010 N/A TYR 85.A OH.A SER 76.A OG no hydrogen 3.276 N/A TYR 85.A OH.B PHE 60.A O no hydrogen 3.424 N/A TYR 85.A OH.B HIS 62.A NE2 no hydrogen 3.417 N/A PHE 86.A N GLN 82.A O no hydrogen 3.167 N/A ASN 87.A N GLU 83.A O no hydrogen 2.877 N/A PHE 88.A N ASP 84.A O no hydrogen 2.838 N/A ASN 89.A N TYR 85.A O.A no hydrogen 3.172 N/A ASN 89.A N TYR 85.A O.B no hydrogen 3.067 N/A LYS 90.A N PHE 86.A O no hydrogen 2.867 N/A ALA 91.A N ASN 87.A O no hydrogen 2.985 N/A VAL 92.A N PHE 88.A O no hydrogen 3.012 N/A PHE 93.A N ASN 89.A O no hydrogen 2.966 N/A ASN 94.A N LYS 90.A O no hydrogen 2.862 N/A SER 95.A N.A VAL 92.A O no hydrogen 3.120 N/A SER 95.A N.B ALA 91.A O no hydrogen 3.018 N/A SER 95.A N.B VAL 92.A O no hydrogen 3.174 N/A SER 95.A OG.A ALA 91.A O no hydrogen 2.791 N/A SER 95.A OG.B ALA 91.A O no hydrogen 2.965 N/A SER 95.A OG.B VAL 92.A O no hydrogen 3.295 N/A ILE 96.A N PHE 93.A O no hydrogen 3.346 N/A SER 98.A N SER 95.A O.A no hydrogen 2.843 N/A SER 98.A N SER 95.A O.B no hydrogen 2.886 N/A ASN 100.A ND2 ASP 106.A OD2 no hydrogen 2.949 N/A TYR 101.A OH ILE 96.A O no hydrogen 2.633 N/A TYR 102.A N ASN 100.A OD1 no hydrogen 3.009 N/A ASN 103.A N ASN 100.A OD1 no hydrogen 3.005 N/A SER 105.A N ASN 103.A OD1 no hydrogen 2.971 N/A ASP 106.A N ASN 103.A O no hydrogen 3.019 N/A THR 108.A N ASP 106.A OD1 no hydrogen 2.937 N/A THR 108.A OG1 ASP 106.A OD1 no hydrogen 2.591 N/A GLN 111.A N LEU 107.A O no hydrogen 3.098 N/A ARG 112.A N.A THR 108.A O no hydrogen 2.945 N/A ARG 112.A N.B THR 108.A O no hydrogen 2.964 N/A ARG 112.A NH1.B SER 95.A OG.A no hydrogen 3.237 N/A ARG 112.A NH2.A SER 98.A OG no hydrogen 3.042 N/A ILE 113.A N LEU 109.A O no hydrogen 2.921 N/A ALA 114.A N LEU 110.A O no hydrogen 2.842 N/A ALA 115.A N GLN 111.A O no hydrogen 2.929 N/A LEU 116.A N ARG 112.A O.A no hydrogen 2.940 N/A LEU 116.A N ARG 112.A O.B no hydrogen 2.997 N/A SER 117.A N ILE 113.A O no hydrogen 3.082 N/A SER 117.A N ALA 114.A O no hydrogen 3.150 N/A SER 117.A OG TYR 79.A OH no hydrogen 2.699 N/A SER 117.A OG ILE 113.A O no hydrogen 2.913 N/A SER 117.A OG ALA 114.A O no hydrogen 3.148 N/A ASN 118.A N ALA 115.A O no hydrogen 2.962 N/A LEU 119.A N ALA 114.A O no hydrogen 3.064 N/A GLN 121.A NE2 ASN 125.A OD1 no hydrogen 3.152 N/A PHE 124.A N LYS 120.A O no hydrogen 2.829 N/A ASN 125.A N GLN 121.A O no hydrogen 2.838 N/A GLN 126.A N ASP 122.A O no hydrogen 3.069 N/A CYS 127.A N ALA 123.A O no hydrogen 2.881 N/A CYS 127.A SG ALA 123.A O no hydrogen 3.518 N/A ILE 128.A N PHE 124.A O no hydrogen 2.963 N/A ASN 129.A N GLN 126.A O no hydrogen 3.362 N/A ASN 129.A ND2 ASN 125.A O no hydrogen 2.844 N/A ASP 130.A N CYS 127.A O no hydrogen 3.383 N/A ILE 133.A N ASP 130.A OD1 no hydrogen 3.227 N/A MET 134.A N ASP 130.A O no hydrogen 2.950 N/A ASP 135.A N LYS 131.A O no hydrogen 2.882 N/A LYS 136.A N LYS 132.A O no hydrogen 3.066 N/A ILE 137.A N ILE 133.A O no hydrogen 3.026 N/A VAL 138.A N.A MET 134.A O no hydrogen 2.991 N/A VAL 138.A N.B MET 134.A O no hydrogen 2.961 N/A ASN 139.A N ASP 135.A O no hydrogen 2.911 N/A ASP 140.A N LYS 136.A O no hydrogen 2.900 N/A LYS 141.A N ILE 137.A O no hydrogen 2.974 N/A LYS 141.A NZ PRO 64.A O no hydrogen 2.746 N/A SER 142.A N VAL 138.A O.A no hydrogen 2.959 N/A SER 142.A N VAL 138.A O.B no hydrogen 2.897 N/A SER 142.A OG VAL 138.A O.A no hydrogen 3.379 N/A SER 142.A OG VAL 138.A O.B no hydrogen 3.554 N/A SER 142.A OG ASN 139.A O no hydrogen 3.153 N/A LEU 143.A N ASN 139.A O no hydrogen 2.896 N/A ALA 144.A N ASP 140.A O no hydrogen 3.014 N/A ILE 145.A N LYS 141.A O no hydrogen 3.004 N/A ASN 146.A N.A SER 142.A O no hydrogen 2.876 N/A ASN 146.A N.B SER 142.A O no hydrogen 2.898 N/A LYS 147.A N LEU 143.A O no hydrogen 2.848 N/A LEU 148.A N ALA 144.A O no hydrogen 2.935 N/A ALA 152.A N.B THR 151.A OG1 no hydrogen 2.421 N/A ILE 155.A N.A TYR 27.A O no hydrogen 3.106 N/A ILE 155.A N.B TYR 27.A O no hydrogen 3.138 N/A PHE 156.A N HIS 174.A O no hydrogen 2.820 N/A PHE 157.A N ILE 25.A O no hydrogen 2.832 N/A ILE 158.A N VAL 172.A O no hydrogen 2.987 N/A LYS 159.A N.A LEU 23.A O no hydrogen 2.986 N/A LYS 159.A N.B LEU 23.A O no hydrogen 2.981 N/A LYS 159.A NZ.A LEU 160.A O no hydrogen 2.877 N/A LYS 159.A NZ.B LEU 6.A O no hydrogen 3.213 N/A ASN 161.A N PRO 21.A O no hydrogen 2.843 N/A ASN 161.A ND2 PRO 18.A O no hydrogen 3.060 N/A ASN 161.A ND2 ALA 20.A O no hydrogen 2.959 N/A ASP 162.A N LEU 160.A O no hydrogen 2.787 N/A LYS 164.A N ASP 162.A OD1 no hydrogen 2.988 N/A SER 165.A N ASP 162.A O no hydrogen 3.533 N/A SER 165.A OG ASP 162.A OD2 no hydrogen 2.781 N/A ILE 167.A N ASN 3.A OD1 no hydrogen 3.181 N/A LYS 171.A N GLU 168.A O no hydrogen 2.870 N/A VAL 172.A N HIS 169.A O no hydrogen 3.114 N/A LYS 173.A NZ LEU 148.A O no hydrogen 2.738 N/A LYS 173.A NZ ASN 170.A OD1 no hydrogen 3.499 N/A HIS 174.A N PHE 156.A O no hydrogen 2.787 N/A HIS 174.A ND1 TYR 182.A OH no hydrogen 2.628 N/A GLY 176.A N PRO 154.A O.A no hydrogen 2.728 N/A GLY 176.A N PRO 154.A O.B no hydrogen 3.124 N/A LYS 178.A NZ GLY 175.A O no hydrogen 3.099 N/A TYR 182.A N GLU 179.A O no hydrogen 3.068 N/A TYR 182.A OH HIS 174.A ND1 no hydrogen 2.628 N/A THR 184.A N LEU 180.A O no hydrogen 2.867 N/A THR 184.A OG1 LYS 181.A O no hydrogen 3.284 N/A ASN 185.A N.A LYS 181.A O no hydrogen 3.032 N/A ASN 185.A N.B LYS 181.A O no hydrogen 3.035 N/A VAL 186.A N TYR 182.A O no hydrogen 3.139 N/A ILE 187.A N PHE 183.A O no hydrogen 2.814 N/A ASP 188.A N THR 184.A O no hydrogen 2.890 N/A LYS 189.A N ASN 185.A O.A no hydrogen 3.254 N/A LYS 189.A N ASN 185.A O.B no hydrogen 3.328 N/A LYS 189.A NZ ASN 185.A OD1.A no hydrogen 3.317 N/A LEU 190.A N VAL 186.A O no hydrogen 3.187 N/A TYR 191.A N ILE 187.A O no hydrogen 2.808 N/A GLY 192.A N ASP 188.A O no hydrogen 3.041 N/A LYS 193.A N LYS 189.A O no hydrogen 3.216 N/A ALA 194.A N LEU 190.A O no hydrogen 2.789 N/A ILE 195.A N TYR 191.A O no hydrogen 2.884 N/A VAL 196.A N GLY 192.A O no hydrogen 3.254 N/A LYS 197.A N LYS 193.A O no hydrogen 3.060 N/A LEU 198.A N ALA 194.A O no hydrogen 2.859 N/A GLU 199.A N ILE 195.A O no hydrogen 2.982 N/A GLU 199.A N VAL 196.A O no hydrogen 3.177 N/A