Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1bua_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N SER 4.A OG no hydrogen 2.672 N/A SER 1.A OG SER 4.A OG no hydrogen 2.973 N/A ARG 3.A NH1 ASP 159.A OD1 no hydrogen 2.691 N/A ARG 3.A NH1 ASP 159.A OD2 no hydrogen 3.408 N/A ARG 3.A NH2 ASP 159.A OD1 no hydrogen 2.793 N/A SER 4.A N SER 1.A OG no hydrogen 3.209 N/A SER 4.A OG SER 1.A O no hydrogen 2.794 N/A SER 4.A OG SER 1.A OG no hydrogen 2.973 N/A ASP 5.A N SER 1.A O no hydrogen 2.875 N/A LEU 6.A N LEU 2.A O no hydrogen 2.755 N/A ILE 7.A N ARG 3.A O no hydrogen 2.836 N/A ASN 8.A N SER 4.A O no hydrogen 2.914 N/A ALA 9.A N ASP 5.A O no hydrogen 2.967 N/A LEU 10.A N LEU 6.A O no hydrogen 2.993 N/A TYR 11.A N ILE 7.A O no hydrogen 2.927 N/A ASP 12.A N ASN 8.A O no hydrogen 2.823 N/A GLU 13.A N ALA 9.A O no hydrogen 2.808 N/A ASN 14.A N LEU 10.A O no hydrogen 3.023 N/A GLN 15.A N TYR 11.A O no hydrogen 3.290 N/A GLN 15.A N ASP 12.A O no hydrogen 2.760 N/A GLN 15.A NE2 TYR 11.A O no hydrogen 3.373 N/A LYS 16.A N ASP 12.A O no hydrogen 3.014 N/A VAL 19.A N TYR 150.A OH no hydrogen 3.079 N/A CYS 20.A SG LEU 143.A O no hydrogen 3.419 N/A ILE 22.A N TYR 30.A O no hydrogen 2.798 N/A SER 24.A N LYS 28.A O no hydrogen 2.949 N/A SER 24.A OG LYS 28.A O no hydrogen 3.293 N/A GLY 27.A N SER 24.A O no hydrogen 2.781 N/A LYS 28.A N SER 24.A OG no hydrogen 2.951 N/A ILE 29.A N TYR 138.A O no hydrogen 2.784 N/A TYR 30.A N ILE 22.A O no hydrogen 2.758 N/A VAL 38.A N ASP 35.A O no hydrogen 2.551 N/A LEU 39.A N ASP 35.A O no hydrogen 3.285 N/A SER 40.A N THR 36.A O no hydrogen 2.808 N/A SER 40.A OG THR 36.A O no hydrogen 3.050 N/A THR 41.A OG1 LYS 37.A O no hydrogen 2.976 N/A ILE 42.A N VAL 38.A O no hydrogen 2.974 N/A PHE 43.A N LEU 39.A O no hydrogen 2.752 N/A GLU 44.A N SER 40.A O no hydrogen 2.946 N/A LEU 45.A N THR 41.A O no hydrogen 3.058 N/A PHE 46.A N ILE 42.A O no hydrogen 2.987 N/A SER 47.A N PHE 43.A O no hydrogen 3.206 N/A SER 47.A OG PHE 43.A O no hydrogen 2.652 N/A SER 47.A OG TYR 130.A OH no hydrogen 2.629 N/A ARG 48.A N GLU 44.A O no hydrogen 3.224 N/A ARG 48.A NE GLU 64.A OE2 no hydrogen 2.834 N/A ARG 48.A NH2 GLU 64.A OE1 no hydrogen 2.917 N/A ILE 51.A N SER 47.A O no hydrogen 3.034 N/A ASN 52.A N ARG 48.A O no hydrogen 3.105 N/A LYS 53.A N PRO 49.A O no hydrogen 2.935 N/A ILE 54.A N ILE 50.A O no hydrogen 3.122 N/A ALA 55.A N ILE 51.A O no hydrogen 2.903 N/A GLU 56.A N ASN 52.A O no hydrogen 2.983 N/A LYS 57.A N LYS 53.A O no hydrogen 3.022 N/A HIS 58.A N ILE 54.A O no hydrogen 3.248 N/A HIS 58.A NE2 ASP 5.A OD2 no hydrogen 2.618 N/A GLY 59.A N GLU 56.A O no hydrogen 3.092 N/A TYR 60.A N ALA 55.A O no hydrogen 2.998 N/A ILE 61.A N TYR 76.A O no hydrogen 2.803 N/A GLU 63.A N THR 74.A O no hydrogen 2.920 N/A HIS 69.A ND1 GLN 67.A O no hydrogen 2.905 N/A TYR 70.A N ASN 114.A O no hydrogen 2.927 N/A TYR 70.A OH HIS 125.A ND1 no hydrogen 2.687 N/A ASP 72.A N ASP 88.A OD1 no hydrogen 3.021 N/A PHE 73.A N ILE 87.A O no hydrogen 3.048 N/A THR 74.A N GLU 63.A O no hydrogen 2.792 N/A THR 74.A OG1 TYR 122.A OH no hydrogen 2.966 N/A LEU 75.A N ILE 85.A O no hydrogen 2.753 N/A TYR 76.A N ILE 61.A O no hydrogen 3.237 N/A TYR 76.A OH GLU 63.A OE2 no hydrogen 2.811 N/A LYS 77.A NZ HIS 58.A O no hydrogen 2.794 N/A SER 79.A OG GLU 80.A OE2 no hydrogen 3.434 N/A GLU 80.A N LYS 77.A O no hydrogen 2.992 N/A LYS 83.A N GLU 80.A O no hydrogen 3.267 N/A LYS 84.A N GLN 121.A O no hydrogen 2.860 N/A ILE 85.A N LEU 75.A O no hydrogen 2.705 N/A ALA 86.A N ALA 124.A O no hydrogen 2.947 N/A ILE 87.A N PHE 73.A O no hydrogen 2.944 N/A ASP 88.A N TRP 126.A O no hydrogen 3.004 N/A ILE 89.A N ASP 72.A OD2 no hydrogen 2.961 N/A LYS 90.A N ILE 128.A O no hydrogen 2.891 N/A LYS 90.A NZ ASP 88.A OD2 no hydrogen 2.646 N/A THR 92.A N TYR 130.A O no hydrogen 3.116 N/A THR 92.A OG1 LYS 98.A O no hydrogen 3.378 N/A THR 94.A N TYR 132.A O no hydrogen 2.828 N/A THR 94.A OG1 TYR 132.A O no hydrogen 3.390 N/A THR 94.A OG1 THR 133.A OG1 no hydrogen 3.314 N/A ILE 97.A N ALA 181.A O no hydrogen 2.690 N/A PHE 99.A N SER 178.A OG no hydrogen 2.840 N/A LEU 101.A N ILE 176.A O no hydrogen 2.739 N/A GLY 102.A N ASN 175.A OD1 no hydrogen 2.986 N/A TYR 104.A N THR 174.A O no hydrogen 2.957 N/A ARG 109.A N SER 106.A O no hydrogen 2.866 N/A ARG 109.A NE TYR 104.A O no hydrogen 2.663 N/A ARG 109.A NH2 TYR 206.A O no hydrogen 3.016 N/A ASN 110.A N SER 106.A O no hydrogen 2.843 N/A ASN 111.A ND2 ASP 120.A OD1 no hydrogen 3.136 N/A ASN 111.A ND2 ASP 120.A OD2 no hydrogen 3.047 N/A LYS 113.A N ASN 110.A O no hydrogen 2.895 N/A LYS 113.A NZ THR 105.A O no hydrogen 3.442 N/A ASN 114.A ND2 ASN 68.A O no hydrogen 2.944 N/A VAL 116.A N TYR 70.A O no hydrogen 2.794 N/A TYR 117.A N TYR 122.A OH no hydrogen 3.285 N/A TYR 117.A OH GLU 63.A OE1 no hydrogen 2.849 N/A PHE 119.A N ASN 111.A O no hydrogen 2.870 N/A ASP 120.A N ASN 111.A OD1 no hydrogen 3.149 N/A GLN 121.A N PRO 118.A O no hydrogen 2.914 N/A TYR 122.A N PHE 119.A O no hydrogen 3.241 N/A TYR 122.A OH THR 74.A OG1 no hydrogen 2.966 N/A ILE 123.A N LYS 84.A O no hydrogen 2.806 N/A HIS 125.A ND1 TYR 70.A OH no hydrogen 2.687 N/A TRP 126.A N ALA 86.A O no hydrogen 2.732 N/A ILE 127.A N GLN 158.A O no hydrogen 2.676 N/A ILE 128.A N ASP 88.A O no hydrogen 2.953 N/A GLY 129.A N PHE 156.A O no hydrogen 3.029 N/A TYR 130.A N LYS 90.A O no hydrogen 2.836 N/A TYR 130.A OH SER 47.A OG no hydrogen 2.629 N/A VAL 131.A N LYS 154.A O no hydrogen 2.906 N/A TYR 132.A N THR 92.A O no hydrogen 3.276 N/A THR 133.A N LYS 151.A O no hydrogen 2.895 N/A THR 133.A OG1 THR 94.A OG1 no hydrogen 3.314 N/A ARG 134.A N THR 94.A O no hydrogen 3.070 N/A VAL 135.A N PRO 149.A O no hydrogen 3.026 N/A TYR 138.A N ILE 29.A O no hydrogen 2.762 N/A ASN 139.A N GLU 142.A OE1 no hydrogen 2.811 N/A ASN 139.A ND2 GLU 142.A OE1 no hydrogen 3.156 N/A GLU 142.A N ASN 139.A O no hydrogen 2.950 N/A LEU 143.A N ILE 140.A O no hydrogen 3.363 N/A GLU 145.A N GLU 142.A O no hydrogen 2.641 N/A TYR 150.A OH VAL 19.A O no hydrogen 3.367 N/A LYS 151.A N THR 133.A O no hydrogen 2.875 N/A LYS 154.A N VAL 131.A O no hydrogen 2.800 N/A PHE 156.A N GLY 129.A O no hydrogen 3.114 N/A GLN 158.A N ILE 127.A O no hydrogen 3.005 N/A GLN 158.A NE2 PHE 186.A O no hydrogen 3.050 N/A ASP 159.A N GLN 158.A OE1 no hydrogen 3.017 N/A LYS 160.A N HIS 125.A O no hydrogen 2.974 N/A LYS 160.A NZ TYR 70.A OH no hydrogen 3.026 N/A ILE 163.A N LYS 160.A O no hydrogen 3.104 N/A ALA 164.A N LYS 160.A O no hydrogen 3.014 N/A GLY 165.A N GLY 177.A O no hydrogen 2.773 N/A ALA 168.A N TYR 206.A OH no hydrogen 3.404 N/A GLY 169.A N ASN 175.A O no hydrogen 2.690 N/A SER 170.A OG THR 173.A OG1 no hydrogen 2.618 N/A THR 173.A OG1 SER 170.A OG no hydrogen 2.618 N/A THR 174.A N GLY 171.A O no hydrogen 3.017 N/A ASN 175.A N SER 170.A OG no hydrogen 3.212 N/A ASN 175.A ND2 THR 173.A O no hydrogen 3.071 N/A ILE 176.A N GLY 102.A O no hydrogen 2.721 N/A SER 178.A N PHE 99.A O no hydrogen 2.991 N/A SER 178.A OG PHE 99.A O no hydrogen 3.427 N/A SER 178.A OG ILE 179.A O no hydrogen 2.662 N/A ILE 179.A N ILE 163.A O no hydrogen 2.887 N/A ALA 181.A N ILE 97.A O no hydrogen 3.069 N/A HIS 182.A N ASP 185.A OD2 no hydrogen 3.148 N/A TYR 183.A OH VAL 155.A O no hydrogen 2.605 N/A ASP 185.A N HIS 182.A O no hydrogen 2.888 N/A PHE 186.A N TYR 183.A O no hydrogen 2.906 N/A VAL 187.A N TYR 183.A O no hydrogen 3.088 N/A GLU 188.A N LYS 184.A O no hydrogen 2.784 N/A GLY 189.A N PHE 186.A O no hydrogen 3.343 N/A LYS 190.A N ASP 185.A O no hydrogen 3.015 N/A ASP 194.A N GLU 198.A OE1 no hydrogen 2.833 N/A GLU 198.A N SER 195.A OG no hydrogen 3.156 N/A PHE 199.A N SER 195.A O no hydrogen 3.204 N/A LEU 200.A N GLU 196.A O no hydrogen 2.968 N/A ASP 201.A N ASP 197.A O no hydrogen 2.878 N/A TYR 202.A N GLU 198.A O no hydrogen 2.884 N/A TYR 202.A OH ASP 166.A O no hydrogen 2.634 N/A TRP 203.A N PHE 199.A O no hydrogen 3.058 N/A TRP 203.A NE1 GLY 165.A O no hydrogen 2.935 N/A ARG 204.A N LEU 200.A O no hydrogen 2.934 N/A ARG 204.A N ASP 201.A O no hydrogen 3.290 N/A ARG 204.A NE ILE 108.A O no hydrogen 2.696 N/A ARG 204.A NH2 ILE 108.A O no hydrogen 3.210 N/A ASN 205.A N ASP 201.A O no hydrogen 3.210 N/A ASN 205.A N TYR 202.A O no hydrogen 3.381 N/A ARG 213.A N THR 209.A O no hydrogen 2.871 N/A ARG 213.A NE ASN 218.A OD1 no hydrogen 3.230 N/A ARG 213.A NH1 GLU 207.A O no hydrogen 2.897 N/A ASN 214.A N SER 210.A O no hydrogen 2.703 N/A LYS 216.A N ARG 213.A O no hydrogen 2.960 N/A LYS 216.A NZ ASN 205.A O no hydrogen 2.860 N/A LYS 216.A NZ GLU 207.A OE2 no hydrogen 2.934 N/A TYR 217.A OH TYR 202.A O no hydrogen 2.548 N/A ASN 218.A N GLU 222.A OE1 no hydrogen 2.794 N/A ASN 218.A ND2 ARG 213.A O no hydrogen 3.160 N/A ASN 218.A ND2 GLU 222.A OE1 no hydrogen 3.145 N/A ILE 220.A N ASP 166.A OD2 no hydrogen 2.847 N/A GLU 222.A N ASN 219.A OD1 no hydrogen 3.040 N/A TYR 223.A N ASN 219.A O no hydrogen 2.964 N/A TYR 223.A OH ASP 201.A OD2 no hydrogen 2.575 N/A ARG 224.A N ILE 220.A O no hydrogen 2.993 N/A ARG 224.A NE GLU 198.A OE2 no hydrogen 2.762 N/A ARG 224.A NH2 ILE 192.A O no hydrogen 3.156 N/A ARG 224.A NH2 GLU 198.A OE1 no hydrogen 2.636 N/A ARG 224.A NH2 GLU 198.A OE2 no hydrogen 3.057 N/A ASN 225.A N SER 221.A O no hydrogen 3.148 N/A TRP 226.A N GLU 222.A O no hydrogen 2.905 N/A ILE 227.A N TYR 223.A O no hydrogen 2.916 N/A TYR 228.A N ARG 224.A O no hydrogen 2.759 N/A ARG 229.A N ASN 225.A O no hydrogen 2.969 N/A GLY 230.A N ILE 227.A O no hydrogen 3.087 N/A ARG 231.A N TRP 226.A O no hydrogen 2.640 N/A ARG 231.A NH1 ASP 201.A OD2 no hydrogen 2.836 N/A ARG 231.A NH2 ASP 201.A OD1 no hydrogen 2.801 N/A ARG 231.A NH2 ASP 201.A OD2 no hydrogen 2.919 N/A