Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5k53_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N ASP 2.A OD1 no hydrogen 3.154 N/A TYR 8.A N THR 5.A OG1 no hydrogen 2.954 N/A LYS 9.A N THR 5.A O no hydrogen 2.972 N/A ASP 10.A N GLU 6.A O no hydrogen 2.960 N/A ALA 11.A N THR 7.A O no hydrogen 3.163 N/A TYR 12.A N TYR 8.A O no hydrogen 2.820 N/A TYR 12.A OH TYR 116.A OH no hydrogen 2.801 N/A SER 13.A N LYS 9.A O no hydrogen 2.907 N/A SER 13.A OG ASP 10.A O no hydrogen 2.623 N/A ARG 14.A N ALA 11.A O no hydrogen 3.206 N/A ARG 14.A NE ASP 178.A OD2 no hydrogen 2.658 N/A ARG 14.A NH1 ASP 10.A OD1 no hydrogen 3.205 N/A ARG 14.A NH1 ASP 10.A OD2 no hydrogen 3.528 N/A ARG 14.A NH2 ASP 10.A OD2 no hydrogen 3.064 N/A ARG 14.A NH2 ASP 178.A OD1 no hydrogen 2.960 N/A ARG 14.A NH2 ASP 178.A OD2 no hydrogen 3.438 N/A ILE 15.A N ALA 11.A O no hydrogen 3.063 N/A ASN 16.A N TYR 12.A O no hydrogen 2.785 N/A ASN 16.A ND2 PHE 58.A O no hydrogen 2.939 N/A ILE 18.A N ARG 14.A O no hydrogen 2.926 N/A VAL 19.A N ILE 15.A O no hydrogen 2.981 N/A ILE 20.A N ASN 16.A O no hydrogen 3.011 N/A GLU 21.A N ALA 17.A O no hydrogen 2.785 N/A GLY 22.A N ILE 18.A O no hydrogen 2.817 N/A GLU 23.A N VAL 19.A O no hydrogen 2.851 N/A GLN 24.A N ILE 20.A O no hydrogen 3.018 N/A GLU 25.A N GLU 21.A O no hydrogen 2.856 N/A ALA 26.A N GLY 22.A O no hydrogen 2.892 N/A HIS 27.A N GLU 23.A O no hydrogen 2.950 N/A HIS 27.A ND1 ASP 28.A OD1 no hydrogen 3.068 N/A ASP 28.A N GLN 24.A O no hydrogen 2.981 N/A ASN 29.A N GLU 25.A O no hydrogen 2.762 N/A ASN 29.A ND2 GLN 101.A OE1 no hydrogen 2.799 N/A TYR 30.A N ALA 26.A O no hydrogen 2.928 N/A TYR 30.A OH GLU 106.A OE2 no hydrogen 2.699 N/A LEU 31.A N HIS 27.A O no hydrogen 3.230 N/A THR 32.A N ASP 28.A O no hydrogen 2.920 N/A THR 32.A OG1 ASP 28.A O no hydrogen 3.070 N/A LEU 33.A N ASN 29.A O no hydrogen 2.811 N/A ALA 34.A N TYR 30.A O no hydrogen 2.906 N/A GLU 35.A N LEU 31.A O no hydrogen 3.348 N/A GLU 35.A N THR 32.A O no hydrogen 3.283 N/A LEU 36.A N THR 32.A O no hydrogen 3.146 N/A LEU 37.A N LEU 33.A O no hydrogen 2.748 N/A LYS 40.A N LEU 37.A O no hydrogen 2.919 N/A LYS 41.A N ALA 38.A O no hydrogen 3.135 N/A GLU 43.A N GLU 43.A OE1 no hydrogen 3.345 N/A LEU 44.A N LYS 40.A O no hydrogen 2.927 N/A VAL 45.A N LYS 41.A O no hydrogen 2.824 N/A GLY 46.A N ALA 42.A O no hydrogen 3.045 N/A LEU 47.A N GLU 43.A O no hydrogen 2.972 N/A SER 48.A N LEU 44.A O no hydrogen 2.933 N/A SER 48.A OG VAL 45.A O no hydrogen 2.715 N/A LYS 49.A N VAL 45.A O no hydrogen 3.107 N/A MET 50.A N GLY 46.A O no hydrogen 3.156 N/A GLU 51.A N LEU 47.A O no hydrogen 3.144 N/A ASN 52.A N SER 48.A O no hydrogen 3.129 N/A ARG 53.A N LYS 49.A O no hydrogen 3.361 N/A ARG 53.A NE.B GLU 134.A OE1 no hydrogen 3.133 N/A ARG 53.A NH1.A GLU 134.A OE1 no hydrogen 3.509 N/A ARG 53.A NH2.B GLU 134.A OE1 no hydrogen 3.235 N/A HIS 54.A N MET 50.A O no hydrogen 2.945 N/A HIS 54.A ND1 GLU 23.A OE1 no hydrogen 3.111 N/A HIS 54.A NE2 GLU 134.A OE1 no hydrogen 2.721 N/A MET 55.A N GLU 51.A O no hydrogen 2.839 N/A LYS 56.A N ASN 52.A O no hydrogen 3.079 N/A GLY 57.A N ARG 53.A O no hydrogen 2.946 N/A PHE 58.A N HIS 54.A O no hydrogen 2.932 N/A GLN 59.A N MET 55.A O no hydrogen 2.925 N/A ALA 60.A N LYS 56.A O no hydrogen 3.057 N/A CYS 61.A N GLY 57.A O no hydrogen 3.039 N/A CYS 61.A SG GLY 57.A O no hydrogen 3.445 N/A GLY 62.A N PHE 58.A O no hydrogen 3.175 N/A ARG 63.A N GLN 59.A O no hydrogen 3.155 N/A ASN 64.A N ALA 60.A O no hydrogen 2.889 N/A LEU 65.A N CYS 61.A O no hydrogen 3.354 N/A LEU 65.A N GLY 62.A O no hydrogen 3.092 N/A LYS 66.A N ARG 63.A O no hydrogen 3.157 N/A VAL 67.A N GLY 62.A O no hydrogen 2.984 N/A ASP 70.A N SER 13.A O no hydrogen 2.884 N/A PHE 73.A N ASP 70.A OD1 no hydrogen 3.054 N/A ALA 74.A N ASP 70.A O no hydrogen 3.226 N/A LYS 75.A N MET 71.A O no hydrogen 2.977 N/A LYS 75.A NZ GLU 21.A OE1 no hydrogen 3.124 N/A GLN 76.A N ALA 72.A O no hydrogen 3.088 N/A PHE 77.A N PHE 73.A O no hydrogen 2.926 N/A PHE 78.A N ALA 74.A O no hydrogen 3.170 N/A SER 79.A N GLN 76.A O no hydrogen 3.124 N/A SER 79.A OG GLN 76.A O no hydrogen 2.828 N/A HIS 82.A N PHE 78.A O no hydrogen 2.817 N/A LYS 83.A N SER 79.A O no hydrogen 2.889 N/A ASN 84.A N GLU 80.A O no hydrogen 2.923 N/A ASN 84.A ND2 ASN 164.A OD1 no hydrogen 2.883 N/A PHE 85.A N LEU 81.A O no hydrogen 2.970 N/A GLN 86.A N HIS 82.A O no hydrogen 2.941 N/A THR 87.A N LYS 83.A O no hydrogen 2.986 N/A THR 87.A OG1 LYS 83.A O no hydrogen 2.921 N/A ALA 88.A N ASN 84.A O no hydrogen 3.148 N/A ALA 89.A N PHE 85.A O no hydrogen 2.797 N/A ALA 90.A N GLN 86.A O no hydrogen 2.872 N/A GLN 91.A N ALA 88.A O no hydrogen 3.178 N/A GLY 92.A N ALA 89.A O no hydrogen 3.084 N/A GLN 93.A N ALA 88.A O no hydrogen 2.824 N/A ILE 94.A N GLY 92.A O no hydrogen 2.997 N/A THR 96.A N GLU 156.A OE2 no hydrogen 2.981 N/A THR 96.A OG1 GLU 156.A OE2 no hydrogen 2.634 N/A CYS 97.A N GLN 93.A O no hydrogen 2.998 N/A CYS 97.A SG PHE 85.A O no hydrogen 3.714 N/A CYS 97.A SG GLN 93.A O no hydrogen 3.476 N/A LEU 98.A N ILE 94.A O no hydrogen 2.827 N/A LEU 99.A N VAL 95.A O no hydrogen 2.804 N/A ILE 100.A N THR 96.A O no hydrogen 2.984 N/A GLN 101.A N CYS 97.A O no hydrogen 3.014 N/A GLN 101.A NE2 GLU 106.A OE2 no hydrogen 3.121 N/A SER 102.A N LEU 98.A O no hydrogen 2.958 N/A SER 102.A OG LEU 98.A O no hydrogen 2.713 N/A LEU 103.A N LEU 98.A O no hydrogen 3.296 N/A ILE 104.A N LEU 99.A O no hydrogen 2.837 N/A ILE 105.A N ILE 100.A O no hydrogen 2.928 N/A GLU 106.A N GLN 101.A O no hydrogen 3.142 N/A CYS 107.A N LEU 103.A O no hydrogen 2.873 N/A CYS 107.A SG LEU 103.A O no hydrogen 3.349 N/A PHE 108.A N ILE 104.A O no hydrogen 2.980 N/A ALA 109.A N ILE 105.A O no hydrogen 2.987 N/A ILE 110.A N GLU 106.A O no hydrogen 2.871 N/A ALA 111.A N CYS 107.A O no hydrogen 2.899 N/A ALA 112.A N PHE 108.A O no hydrogen 2.951 N/A TYR 113.A N ALA 109.A O no hydrogen 2.792 N/A TYR 113.A OH GLU 23.A OE2 no hydrogen 2.634 N/A ASN 114.A N ILE 110.A O no hydrogen 3.102 N/A ASN 114.A ND2 TYR 136.A OH no hydrogen 3.095 N/A ILE 115.A N ALA 111.A O no hydrogen 3.221 N/A TYR 116.A N ALA 112.A O no hydrogen 2.940 N/A ILE 117.A N TYR 113.A O no hydrogen 3.040 N/A VAL 119.A N TYR 116.A O no hydrogen 2.950 N/A ALA 124.A N ASP 121.A OD1 no hydrogen 2.944 N/A ARG 125.A N ASP 121.A O no hydrogen 2.733 N/A ARG 125.A NH1 ASP 122.A OD1 no hydrogen 2.628 N/A ARG 125.A NH2 ASP 122.A OD1 no hydrogen 2.997 N/A LYS 126.A N ASP 122.A O no hydrogen 3.231 N/A ILE 127.A N PHE 123.A O no hydrogen 3.178 N/A THR 128.A N ALA 124.A O no hydrogen 2.949 N/A THR 128.A OG1 ALA 124.A O no hydrogen 2.756 N/A GLU 129.A N ARG 125.A O no hydrogen 2.913 N/A GLY 130.A N LYS 126.A O no hydrogen 3.275 N/A VAL 131.A N ILE 127.A O no hydrogen 3.106 N/A VAL 132.A N THR 128.A O no hydrogen 2.898 N/A LYS 133.A N GLU 129.A O no hydrogen 3.299 N/A GLU 134.A N GLY 130.A O no hydrogen 3.361 N/A GLU 135.A N.A VAL 131.A O no hydrogen 2.994 N/A GLU 135.A N.B VAL 131.A O no hydrogen 2.991 N/A GLU 135.A N.B VAL 132.A O no hydrogen 3.067 N/A SER 137.A N GLU 134.A O no hydrogen 3.091 N/A SER 137.A OG GLU 134.A O no hydrogen 2.670 N/A HIS 138.A N GLU 135.A O.A no hydrogen 3.076 N/A HIS 138.A N GLU 135.A O.B no hydrogen 2.864 N/A LEU 139.A N GLU 135.A O.A no hydrogen 3.191 N/A LEU 139.A N GLU 135.A O.B no hydrogen 3.197 N/A ASN 140.A N TYR 136.A O no hydrogen 2.941 N/A PHE 141.A N SER 137.A O no hydrogen 3.008 N/A GLY 142.A N HIS 138.A O no hydrogen 3.464 N/A GLU 143.A N LEU 139.A O no hydrogen 2.970 N/A VAL 144.A N ASN 140.A O no hydrogen 2.877 N/A TRP 145.A N PHE 141.A O no hydrogen 3.094 N/A LEU 146.A N GLY 142.A O no hydrogen 2.902 N/A GLN 147.A N GLU 143.A O no hydrogen 2.857 N/A ALA 148.A N VAL 144.A O no hydrogen 3.043 N/A HIS 149.A N TRP 145.A O no hydrogen 3.184 N/A HIS 149.A N LEU 146.A O no hydrogen 3.227 N/A HIS 149.A ND1 TRP 145.A O no hydrogen 2.871 N/A PHE 150.A N GLN 147.A O no hydrogen 3.335 N/A SER 153.A N HIS 149.A O no hydrogen 2.929 N/A SER 153.A N PHE 150.A O no hydrogen 2.991 N/A SER 153.A OG HIS 149.A O no hydrogen 2.682 N/A LEU 157.A N SER 153.A O no hydrogen 2.890 N/A GLU 158.A N LYS 154.A O no hydrogen 2.967 N/A ALA 159.A N ALA 155.A O no hydrogen 3.011 N/A ALA 160.A N GLU 156.A O no hydrogen 2.793 N/A ASN 161.A N LEU 157.A O no hydrogen 2.871 N/A ASN 161.A ND2 MET 214.A O no hydrogen 3.047 N/A ARG 162.A N GLU 158.A O no hydrogen 3.047 N/A GLN 163.A N ALA 159.A O no hydrogen 3.060 N/A ASN 164.A N ALA 160.A O no hydrogen 2.879 N/A ASN 164.A ND2 ALA 160.A O no hydrogen 3.032 N/A ASN 164.A ND2 GLN 163.A OE1 no hydrogen 2.985 N/A LEU 165.A N ASN 161.A O no hydrogen 2.958 N/A ILE 168.A N ASN 164.A O no hydrogen 3.123 N/A TRP 169.A N LEU 165.A O no hydrogen 3.025 N/A LYS 170.A N PRO 166.A O no hydrogen 3.137 N/A LYS 170.A NZ GLU 80.A OE1 no hydrogen 2.622 N/A LEU 171.A N ILE 167.A O no hydrogen 3.106 N/A LEU 172.A N ILE 168.A O no hydrogen 3.025 N/A ASN 173.A N TRP 169.A O no hydrogen 2.964 N/A ALA 174.A N LYS 170.A O no hydrogen 2.738 N/A VAL 175.A N LEU 171.A O no hydrogen 2.880 N/A ALA 176.A N ASN 173.A O no hydrogen 3.475 N/A ALA 179.A N VAL 175.A O no hydrogen 2.866 N/A ARG 180.A N ALA 176.A O no hydrogen 2.864 N/A ARG 180.A NE GLU 185.A OE1 no hydrogen 3.281 N/A ARG 180.A NE GLU 185.A OE2 no hydrogen 3.515 N/A VAL 181.A N ASP 177.A O no hydrogen 3.125 N/A LEU 182.A N ASP 178.A O no hydrogen 3.221 N/A GLY 183.A N ARG 180.A O no hydrogen 2.838 N/A MET 184.A N ALA 179.A O no hydrogen 3.003 N/A LYS 186.A NZ ASN 173.A OD1 no hydrogen 2.560 N/A LEU 189.A N GLU 185.A O no hydrogen 3.283 N/A ILE 190.A N LYS 186.A O no hydrogen 2.982 N/A GLU 191.A N ASP 187.A O no hydrogen 3.081 N/A ASP 192.A N ALA 188.A O no hydrogen 2.905 N/A PHE 193.A N LEU 189.A O no hydrogen 2.956 N/A MET 194.A N ILE 190.A O no hydrogen 3.080 N/A ILE 195.A N GLU 191.A O no hydrogen 3.051 N/A ALA 196.A N ASP 192.A O no hydrogen 3.074 N/A TYR 197.A N PHE 193.A O no hydrogen 2.809 N/A TYR 197.A OH ASN 161.A OD1 no hydrogen 2.578 N/A GLY 198.A N MET 194.A O no hydrogen 2.847 N/A GLU 199.A N ILE 195.A O no hydrogen 3.007 N/A ALA 200.A N ALA 196.A O no hydrogen 3.106 N/A LEU 201.A N TYR 197.A O no hydrogen 2.966 N/A GLY 202.A N GLY 198.A O no hydrogen 2.988 N/A ASN 203.A N GLU 199.A O no hydrogen 2.904 N/A ASN 203.A ND2 GLU 143.A OE1 no hydrogen 3.093 N/A ASN 203.A ND2 GLU 143.A OE2 no hydrogen 3.395 N/A ILE 204.A N ALA 200.A O no hydrogen 3.112 N/A GLY 205.A N LEU 201.A O no hydrogen 3.351 N/A GLY 205.A N GLY 202.A O no hydrogen 3.234 N/A PHE 206.A N LEU 201.A O no hydrogen 3.047 N/A ASN 207.A N ASP 210.A OD2 no hydrogen 3.033 N/A ASP 210.A N ASN 207.A OD1 no hydrogen 2.864 N/A ILE 211.A N ASN 207.A O no hydrogen 2.971 N/A MET 212.A N ASN 208.A O no hydrogen 3.035 N/A ARG 213.A N ARG 209.A O no hydrogen 2.889 N/A MET 214.A N ASP 210.A O no hydrogen 2.792 N/A SER 215.A N ILE 211.A O no hydrogen 2.832 N/A SER 215.A OG ILE 211.A O no hydrogen 2.778 N/A ALA 216.A N MET 212.A O no hydrogen 3.165 N/A GLN 217.A N MET 214.A O no hydrogen 2.995 N/A GLN 217.A NE2 ARG 213.A O no hydrogen 2.623 N/A