Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5an1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N ILE 64.A O no hydrogen 2.858 N/A LEU 5.A N GLU 29.A O no hydrogen 2.790 N/A GLY 6.A N TYR 62.A O no hydrogen 3.086 N/A TYR 7.A N LYS 31.A O no hydrogen 3.179 N/A ARG 11.A N PRO 205.A O no hydrogen 2.850 N/A ARG 11.A NE GLU 160.A OE2 no hydrogen 2.785 N/A ARG 11.A NH1 LYS 203.A O no hydrogen 3.035 N/A ARG 11.A NH2 GLU 160.A OE1 no hydrogen 3.121 N/A ARG 11.A NH2 GLU 160.A OE2 no hydrogen 2.998 N/A ARG 11.A NH2 ASP 163.A OD2 no hydrogen 2.496 N/A ALA 12.A N ILE 206.A O no hydrogen 2.753 N/A CYS 14.A N ARG 11.A O no hydrogen 2.879 N/A GLN 15.A N ARG 11.A O no hydrogen 3.090 N/A GLN 15.A NE2 LEU 202.A O no hydrogen 3.046 N/A ILE 17.A N CYS 14.A O no hydrogen 2.789 N/A ARG 18.A N CYS 14.A O no hydrogen 3.280 N/A ARG 18.A NE GLU 30.A OE1 no hydrogen 2.959 N/A ARG 18.A NE GLU 30.A OE2 no hydrogen 3.413 N/A ARG 18.A NH1 THR 10.A O no hydrogen 2.973 N/A ARG 18.A NH1 GLN 15.A OE1 no hydrogen 3.080 N/A ARG 18.A NH2 THR 10.A O no hydrogen 3.110 N/A ARG 18.A NH2 GLU 30.A OE2 no hydrogen 2.805 N/A LEU 19.A N GLN 15.A O no hydrogen 2.894 N/A MET 20.A N PRO 16.A O no hydrogen 3.157 N/A LEU 21.A N ILE 17.A O no hydrogen 3.035 N/A GLY 22.A N ARG 18.A O no hydrogen 2.771 N/A TYR 23.A N LEU 19.A O no hydrogen 2.881 N/A THR 24.A N MET 20.A O no hydrogen 3.035 N/A THR 24.A OG1 MET 20.A O no hydrogen 2.899 N/A THR 24.A OG1 LEU 21.A O no hydrogen 2.967 N/A THR 24.A OG1 THR 26.A OG1 no hydrogen 2.705 N/A GLY 25.A N GLY 22.A O no hydrogen 3.207 N/A THR 26.A N LEU 21.A O no hydrogen 2.888 N/A THR 26.A OG1 THR 24.A OG1 no hydrogen 2.705 N/A GLU 29.A N PRO 3.A O no hydrogen 2.867 N/A LYS 31.A N LEU 5.A O no hydrogen 3.066 N/A ASN 32.A ND2 TYR 7.A O no hydrogen 3.165 N/A ASN 32.A ND2 GLU 30.A OE2 no hydrogen 2.771 N/A TYR 33.A OH TYR 62.A OH no hydrogen 2.741 N/A GLY 36.A N ASP 42.A O no hydrogen 2.829 N/A ASP 40.A N ASP 40.A OD1 no hydrogen 2.541 N/A TYR 41.A N ASP 37.A O no hydrogen 3.093 N/A LYS 43.A NZ TYR 210.A OH no hydrogen 2.903 N/A SER 44.A N ASP 42.A OD2 no hydrogen 2.970 N/A SER 44.A OG ASP 42.A OD1 no hydrogen 2.647 N/A SER 44.A OG ASP 42.A OD2 no hydrogen 3.109 N/A GLU 45.A N GLU 45.A OE1 no hydrogen 2.560 N/A TRP 46.A N LYS 43.A O no hydrogen 3.252 N/A LEU 47.A N LYS 43.A O no hydrogen 3.121 N/A ALA 48.A N SER 44.A O no hydrogen 2.946 N/A VAL 49.A N TRP 46.A O no hydrogen 3.192 N/A LYS 52.A N VAL 49.A O no hydrogen 2.707 N/A LYS 52.A NZ ALA 48.A O no hydrogen 3.527 N/A LEU 60.A N ASN 59.A OD1 no hydrogen 3.015 N/A TYR 62.A N GLY 6.A O no hydrogen 2.988 N/A TYR 62.A OH TYR 33.A OH no hydrogen 2.741 N/A TYR 63.A N ILE 70.A O no hydrogen 2.747 N/A ILE 64.A N VAL 4.A O no hydrogen 2.929 N/A ASP 65.A N VAL 68.A O no hydrogen 2.838 N/A VAL 68.A N ASP 65.A O no hydrogen 3.060 N/A ILE 70.A N TYR 63.A O no hydrogen 2.877 N/A THR 71.A OG1 PHE 57.A O no hydrogen 2.884 N/A LYS 74.A NZ SER 73.A OG no hydrogen 3.375 N/A ILE 76.A N GLN 72.A O no hydrogen 2.965 N/A MET 77.A N SER 73.A O no hydrogen 2.898 N/A ARG 78.A N LYS 74.A O no hydrogen 3.018 N/A TYR 79.A N ALA 75.A O no hydrogen 3.018 N/A TYR 79.A OH ASP 65.A OD2 no hydrogen 2.508 N/A LEU 80.A N ILE 76.A O no hydrogen 3.097 N/A ALA 81.A N MET 77.A O no hydrogen 2.768 N/A ARG 82.A N ARG 78.A O no hydrogen 2.982 N/A LYS 83.A N TYR 79.A O no hydrogen 3.275 N/A HIS 84.A N ALA 81.A O no hydrogen 3.251 N/A LEU 86.A N ALA 81.A O no hydrogen 3.033 N/A THR 89.A N GLU 93.A OE1 no hydrogen 2.652 N/A THR 90.A N GLU 93.A OE1 no hydrogen 2.926 N/A GLU 92.A N GLU 92.A OE1 no hydrogen 2.743 N/A GLU 93.A N THR 90.A OG1 no hydrogen 3.269 N/A LEU 94.A N THR 90.A O no hydrogen 3.085 N/A VAL 95.A N PRO 91.A O no hydrogen 3.210 N/A ARG 96.A N GLU 92.A O no hydrogen 3.445 N/A ARG 96.A NE PHE 146.A O no hydrogen 2.911 N/A ARG 96.A NH2 PHE 139.A O no hydrogen 2.902 N/A ARG 96.A NH2 PHE 146.A O no hydrogen 2.983 N/A THR 97.A N GLU 93.A O no hydrogen 2.905 N/A THR 97.A OG1 GLU 93.A O no hydrogen 3.558 N/A THR 97.A OG1 LEU 94.A O no hydrogen 3.283 N/A ASP 98.A N LEU 94.A O no hydrogen 3.059 N/A MET 99.A N VAL 95.A O no hydrogen 3.206 N/A ILE 100.A N ARG 96.A O no hydrogen 2.981 N/A GLU 101.A N THR 97.A O no hydrogen 2.912 N/A CYS 102.A N ASP 98.A O no hydrogen 3.143 N/A CYS 102.A SG ASP 98.A O no hydrogen 3.481 N/A GLN 103.A N MET 99.A O no hydrogen 2.979 N/A LEU 104.A N ILE 100.A O no hydrogen 2.806 N/A THR 105.A N GLU 101.A O no hydrogen 2.963 N/A THR 105.A OG1 GLU 101.A O no hydrogen 2.708 N/A ASP 106.A N CYS 102.A O no hydrogen 3.113 N/A MET 107.A N GLN 103.A O no hydrogen 3.018 N/A HIS 108.A N LEU 104.A O no hydrogen 2.793 N/A HIS 108.A NE2 GLN 164.A OE1 no hydrogen 2.766 N/A GLU 109.A N THR 105.A O no hydrogen 3.139 N/A ALA 110.A N ASP 106.A O no hydrogen 3.194 N/A PHE 111.A N MET 107.A O no hydrogen 2.929 N/A PHE 112.A N HIS 108.A O no hydrogen 2.959 N/A THR 113.A N GLU 109.A O no hydrogen 2.898 N/A THR 113.A OG1 GLU 109.A O no hydrogen 3.046 N/A VAL 114.A N ALA 110.A O no hydrogen 3.279 N/A THR 115.A N PHE 111.A O no hydrogen 2.944 N/A THR 115.A OG1 PHE 111.A O no hydrogen 2.884 N/A TYR 116.A N PHE 112.A O no hydrogen 3.079 N/A TYR 119.A N GLN 212.A OE1 no hydrogen 3.308 N/A GLU 120.A N GLU 120.A OE1 no hydrogen 2.878 N/A GLN 121.A N HIS 118.A O no hydrogen 3.112 N/A LYS 122.A N TYR 119.A O no hydrogen 3.283 N/A LYS 122.A NZ TYR 119.A OH no hydrogen 3.256 N/A TYR 125.A N GLN 121.A O no hydrogen 2.903 N/A TYR 125.A OH HIS 165.A NE2 no hydrogen 2.712 N/A THR 126.A N LYS 122.A O no hydrogen 2.916 N/A THR 126.A OG1 LYS 122.A O no hydrogen 3.327 N/A THR 126.A OG1 ASP 123.A O no hydrogen 2.915 N/A ALA 127.A N ASP 123.A O no hydrogen 2.975 N/A SER 128.A N ALA 124.A O no hydrogen 3.236 N/A SER 128.A N TYR 125.A O no hydrogen 3.107 N/A SER 128.A OG TYR 125.A O no hydrogen 2.756 N/A LEU 129.A N THR 126.A O no hydrogen 3.065 N/A LYS 132.A NZ SER 128.A OG no hydrogen 3.070 N/A LEU 133.A N LEU 129.A O no hydrogen 2.779 N/A ARG 134.A N PRO 130.A O no hydrogen 2.891 N/A GLN 135.A N ALA 131.A O no hydrogen 3.349 N/A TYR 136.A N LYS 132.A O no hydrogen 3.369 N/A SER 137.A N LEU 133.A O no hydrogen 2.831 N/A SER 137.A OG ASN 178.A OD1 no hydrogen 2.755 N/A ASP 138.A N ARG 134.A O no hydrogen 2.843 N/A PHE 139.A N GLN 135.A O no hydrogen 2.935 N/A LEU 140.A N TYR 136.A O no hydrogen 2.869 N/A GLY 141.A N SER 137.A O no hydrogen 2.935 N/A ARG 143.A N LEU 140.A O no hydrogen 2.989 N/A ARG 143.A NH1 LEU 140.A O no hydrogen 3.193 N/A TRP 145.A N GLY 148.A O no hydrogen 3.109 N/A PHE 146.A N ASP 155.A OD1 no hydrogen 2.947 N/A GLY 148.A N TRP 145.A O no hydrogen 2.921 N/A LYS 150.A NZ GLY 85.A O no hydrogen 2.669 N/A LYS 150.A NZ CYS 87.A O no hydrogen 3.169 N/A LYS 150.A NZ LEU 151.A O no hydrogen 3.560 N/A THR 152.A N ASP 155.A OD2 no hydrogen 2.732 N/A TYR 153.A N LEU 86.A O no hydrogen 3.041 N/A TYR 153.A OH GLU 101.A OE1 no hydrogen 2.405 N/A ASP 155.A N THR 152.A O no hydrogen 2.832 N/A PHE 156.A N TYR 153.A O no hydrogen 2.987 N/A LEU 157.A N TYR 153.A O no hydrogen 3.293 N/A ALA 158.A N ILE 154.A O no hydrogen 2.859 N/A TYR 159.A N ASP 155.A O no hydrogen 2.827 N/A TYR 159.A OH GLU 187.A OE2 no hydrogen 2.512 N/A GLU 160.A N PHE 156.A O no hydrogen 3.179 N/A ILE 161.A N LEU 157.A O no hydrogen 3.064 N/A PHE 162.A N ALA 158.A O no hydrogen 2.938 N/A ASP 163.A N TYR 159.A O no hydrogen 2.849 N/A GLN 164.A N GLU 160.A O no hydrogen 2.865 N/A GLN 164.A NE2 ALA 12.A O no hydrogen 2.833 N/A GLN 164.A NE2 GLU 160.A OE2 no hydrogen 2.866 N/A HIS 165.A N ILE 161.A O no hydrogen 3.002 N/A HIS 165.A ND1 ILE 161.A O no hydrogen 2.711 N/A HIS 165.A NE2 TYR 125.A OH no hydrogen 2.712 N/A LEU 166.A N PHE 162.A O no hydrogen 2.919 N/A SER 167.A N ASP 163.A O no hydrogen 3.285 N/A SER 167.A N GLN 164.A O no hydrogen 3.057 N/A SER 167.A OG ASP 163.A O no hydrogen 3.502 N/A LEU 168.A N GLN 164.A O no hydrogen 3.235 N/A ASP 169.A N HIS 165.A O no hydrogen 2.777 N/A THR 171.A N ASP 169.A OD1 no hydrogen 3.059 N/A THR 171.A OG1 ASP 169.A OD1 no hydrogen 3.058 N/A CYS 172.A N ASP 169.A O no hydrogen 3.203 N/A CYS 172.A SG ASP 169.A O no hydrogen 3.239 N/A ASP 174.A N THR 171.A O no hydrogen 3.031 N/A PHE 176.A N LEU 173.A O no hydrogen 2.777 N/A ASN 178.A ND2 SER 137.A O no hydrogen 2.974 N/A ASN 178.A ND2 GLY 141.A O no hydrogen 2.871 N/A LEU 179.A N PHE 176.A O no hydrogen 3.132 N/A GLN 180.A N PHE 176.A O no hydrogen 3.117 N/A ALA 181.A N LYS 177.A O no hydrogen 2.898 N/A PHE 182.A N ASN 178.A O no hydrogen 2.797 N/A GLN 183.A N LEU 179.A O no hydrogen 2.953 N/A GLN 183.A NE2 TYR 159.A O no hydrogen 3.179 N/A LYS 184.A N.A GLN 180.A O no hydrogen 3.205 N/A LYS 184.A N.A ALA 181.A O no hydrogen 3.149 N/A LYS 184.A N.B GLN 180.A O no hydrogen 3.189 N/A LYS 184.A N.B ALA 181.A O no hydrogen 3.175 N/A LYS 184.A NZ.A ASP 188.A OD2 no hydrogen 2.926 N/A ARG 185.A N ALA 181.A O no hydrogen 3.046 N/A PHE 186.A N PHE 182.A O no hydrogen 3.118 N/A GLU 187.A N GLN 183.A O no hydrogen 3.133 N/A ASP 188.A N LYS 184.A O.B no hydrogen 2.615 N/A ASP 188.A N ARG 185.A O no hydrogen 3.179 N/A LEU 189.A N PHE 186.A O no hydrogen 3.114 N/A LYS 193.A N LEU 189.A O no hydrogen 2.768 N/A LYS 193.A NZ ASP 188.A OD1 no hydrogen 2.969 N/A LYS 194.A N GLU 190.A O no hydrogen 3.093 N/A TYR 195.A N ALA 191.A O no hydrogen 3.183 N/A MET 196.A N ILE 192.A O no hydrogen 2.897 N/A ALA 197.A N LYS 193.A O no hydrogen 3.070 N/A ALA 197.A N LYS 194.A O no hydrogen 2.956 N/A SER 198.A N TYR 195.A O no hydrogen 3.180 N/A SER 198.A OG TYR 195.A O no hydrogen 2.993 N/A PHE 201.A N SER 198.A O no hydrogen 3.354 N/A ILE 206.A N LYS 219.A OXT no hydrogen 2.882 N/A CYS 207.A SG THR 115.A OG1 no hydrogen 3.694 N/A ASN 208.A N TYR 116.A OH no hydrogen 3.006 N/A LYS 209.A N ASN 208.A OD1 no hydrogen 2.810 N/A LYS 209.A NZ VAL 35.A O no hydrogen 3.206 N/A LYS 209.A NZ ASP 37.A OD1 no hydrogen 2.898 N/A ALA 211.A N ASN 208.A O no hydrogen 3.180 N/A GLN 212.A N TYR 116.A O no hydrogen 3.197 N/A GLN 212.A NE2 GLU 117.A O no hydrogen 3.298 N/A PHE 213.A N THR 115.A O no hydrogen 2.989 N/A THR 214.A OG1 ASN 208.A O no hydrogen 2.731 N/A ILE 215.A N ALA 211.A O no hydrogen 3.031 N/A ILE 216.A N GLN 212.A O no hydrogen 2.884 N/A GLU 217.A N PHE 213.A O no hydrogen 2.829 N/A GLY 218.A N THR 214.A O no hydrogen 3.002 N/A LYS 219.A NZ SER 167.A O no hydrogen 3.103 N/A