Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1stx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N SER 4.A OG no hydrogen 2.796 N/A SER 1.A OG SER 4.A OG no hydrogen 3.149 N/A ARG 3.A NH1 ASP 171.A OD2 no hydrogen 2.804 N/A ARG 3.A NH2 GLN 170.A OE1 no hydrogen 3.103 N/A ARG 3.A NH2 ASP 171.A OD2 no hydrogen 3.350 N/A SER 4.A N SER 1.A OG no hydrogen 2.925 N/A SER 4.A OG SER 1.A O no hydrogen 3.132 N/A SER 4.A OG SER 1.A OG no hydrogen 3.149 N/A ASP 5.A N SER 1.A O no hydrogen 2.783 N/A LEU 6.A N LEU 2.A O no hydrogen 2.898 N/A ILE 7.A N ARG 3.A O no hydrogen 3.021 N/A ASN 8.A N SER 4.A O no hydrogen 2.953 N/A ALA 9.A N ASP 5.A O no hydrogen 2.700 N/A LEU 10.A N LEU 6.A O no hydrogen 2.822 N/A TYR 11.A N ILE 7.A O no hydrogen 3.064 N/A ASP 12.A N ASN 8.A O no hydrogen 2.986 N/A GLU 13.A N ALA 9.A O no hydrogen 2.978 N/A ASN 14.A N LEU 10.A O no hydrogen 3.206 N/A GLN 15.A N TYR 11.A O no hydrogen 3.074 N/A LYS 16.A N ASP 12.A O no hydrogen 2.958 N/A TYR 17.A N GLU 13.A O no hydrogen 2.896 N/A CYS 20.A SG LEU 155.A O no hydrogen 3.798 N/A ILE 22.A N TYR 30.A O no hydrogen 2.876 N/A SER 24.A N LYS 28.A O no hydrogen 2.742 N/A SER 24.A OG LYS 28.A O no hydrogen 2.958 N/A GLY 27.A N SER 24.A O no hydrogen 2.910 N/A LYS 28.A N SER 24.A OG no hydrogen 3.201 N/A ILE 29.A N TYR 150.A O no hydrogen 3.003 N/A TYR 30.A N ILE 22.A O no hydrogen 2.879 N/A THR 36.A OG1 TYR 137.A OH no hydrogen 2.709 N/A VAL 38.A N ASP 35.A OD1 no hydrogen 2.778 N/A LEU 39.A N ASP 35.A O no hydrogen 3.079 N/A SER 40.A N THR 36.A O no hydrogen 2.714 N/A SER 40.A OG THR 36.A O no hydrogen 2.916 N/A THR 41.A OG1 ALA 37.A O no hydrogen 3.346 N/A ILE 42.A N VAL 38.A O no hydrogen 3.011 N/A PHE 43.A N LEU 39.A O no hydrogen 2.912 N/A GLU 44.A N SER 40.A O no hydrogen 3.242 N/A LEU 45.A N THR 41.A O no hydrogen 3.173 N/A PHE 46.A N ILE 42.A O no hydrogen 2.998 N/A SER 47.A N PHE 43.A O no hydrogen 2.989 N/A SER 47.A OG PHE 43.A O no hydrogen 2.482 N/A SER 47.A OG TYR 135.A OH no hydrogen 2.747 N/A ARG 48.A N GLU 44.A O no hydrogen 3.192 N/A ARG 48.A N LEU 45.A O no hydrogen 3.322 N/A ARG 48.A NE GLU 64.A OE2 no hydrogen 2.790 N/A ARG 48.A NH2 GLU 64.A OE1 no hydrogen 2.835 N/A ILE 51.A N SER 47.A O no hydrogen 2.937 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 2.933 N/A ILE 54.A N ILE 50.A O no hydrogen 3.084 N/A ALA 55.A N ILE 51.A O no hydrogen 2.932 N/A GLU 56.A N ASN 52.A O no hydrogen 2.878 N/A LYS 57.A N LYS 53.A O no hydrogen 2.999 N/A LYS 57.A NZ ASP 5.A OD2 no hydrogen 2.858 N/A HIS 58.A N ILE 54.A O no hydrogen 3.094 N/A HIS 58.A N ALA 55.A O no hydrogen 3.119 N/A HIS 58.A NE2 ASP 5.A OD2 no hydrogen 2.696 N/A GLY 59.A N GLU 56.A O no hydrogen 3.136 N/A TYR 60.A N ALA 55.A O no hydrogen 2.826 N/A ILE 61.A N TYR 77.A O no hydrogen 2.784 N/A GLU 63.A N THR 75.A O no hydrogen 2.854 N/A HIS 70.A ND1 GLN 68.A O no hydrogen 3.016 N/A TYR 71.A N ASN 119.A O no hydrogen 2.791 N/A TYR 71.A OH HIS 130.A ND1 no hydrogen 2.612 N/A ASP 73.A N ASP 89.A OD2 no hydrogen 3.225 N/A PHE 74.A N ILE 88.A O no hydrogen 3.025 N/A THR 75.A N GLU 63.A O no hydrogen 2.757 N/A THR 75.A OG1 TYR 127.A OH no hydrogen 2.759 N/A LEU 76.A N ILE 86.A O no hydrogen 2.850 N/A TYR 77.A N ILE 61.A O no hydrogen 3.179 N/A TYR 77.A OH GLU 63.A OE2 no hydrogen 2.808 N/A LYS 78.A NZ HIS 58.A O no hydrogen 3.058 N/A GLU 81.A N LYS 78.A O no hydrogen 2.907 N/A LYS 84.A N GLU 81.A O no hydrogen 3.115 N/A LYS 85.A N GLN 126.A O no hydrogen 2.845 N/A LYS 85.A NZ PRO 82.A O no hydrogen 2.999 N/A ILE 86.A N LEU 76.A O no hydrogen 2.730 N/A ALA 87.A N ALA 129.A O no hydrogen 2.932 N/A ILE 88.A N PHE 74.A O no hydrogen 2.950 N/A ASP 89.A N TRP 131.A O no hydrogen 2.905 N/A ILE 90.A N ASP 73.A OD2 no hydrogen 2.850 N/A LYS 91.A N ILE 133.A O no hydrogen 2.876 N/A THR 93.A N TYR 135.A O no hydrogen 3.036 N/A THR 93.A OG1 LYS 103.A O no hydrogen 3.071 N/A THR 95.A N TYR 137.A O no hydrogen 2.877 N/A THR 95.A OG1 ASN 99.A O no hydrogen 2.926 N/A ASN 96.A N GLU 100.A OE1 no hydrogen 3.222 N/A ASN 96.A N GLU 100.A OE2 no hydrogen 3.231 N/A LYS 97.A N GLU 100.A OE1 no hydrogen 2.851 N/A ILE 102.A N ALA 193.A O no hydrogen 2.691 N/A LYS 103.A NZ LEU 179.A O no hydrogen 3.519 N/A LYS 103.A NZ ALA 180.A O no hydrogen 3.454 N/A PHE 104.A N SER 190.A OG no hydrogen 2.835 N/A LEU 106.A N ILE 188.A O no hydrogen 2.933 N/A GLY 107.A N ASN 187.A OD1 no hydrogen 2.883 N/A TYR 109.A N THR 186.A O no hydrogen 3.086 N/A ARG 114.A N SER 111.A O no hydrogen 3.024 N/A ARG 114.A NE TYR 109.A O no hydrogen 2.769 N/A ARG 114.A NH2 TRP 215.A O no hydrogen 3.019 N/A ARG 114.A NH2 TYR 218.A O no hydrogen 2.600 N/A ASN 116.A ND2 ASP 125.A OD1 no hydrogen 3.215 N/A ASN 116.A ND2 ASP 125.A OD2 no hydrogen 3.225 N/A THR 117.A N ASN 115.A OD1 no hydrogen 3.124 N/A THR 117.A OG1 ASN 115.A OD1 no hydrogen 3.561 N/A LYS 118.A N ASN 115.A O no hydrogen 3.077 N/A ASN 119.A ND2 ASN 69.A O no hydrogen 2.767 N/A VAL 121.A N TYR 71.A O no hydrogen 2.766 N/A TYR 122.A OH GLU 63.A OE1 no hydrogen 2.705 N/A PHE 124.A N ASN 116.A O no hydrogen 2.732 N/A ASP 125.A N ASN 116.A OD1 no hydrogen 2.793 N/A GLN 126.A N PRO 123.A O no hydrogen 2.965 N/A TYR 127.A N PHE 124.A O no hydrogen 3.198 N/A TYR 127.A OH THR 75.A OG1 no hydrogen 2.759 N/A ILE 128.A N LYS 85.A O no hydrogen 2.781 N/A HIS 130.A ND1 TYR 71.A OH no hydrogen 2.612 N/A TRP 131.A N ALA 87.A O no hydrogen 2.572 N/A ILE 132.A N GLN 170.A O no hydrogen 2.831 N/A ILE 133.A N ASP 89.A O no hydrogen 2.882 N/A GLY 134.A N PHE 168.A O no hydrogen 2.855 N/A TYR 135.A N LYS 91.A O no hydrogen 2.827 N/A TYR 135.A OH SER 47.A OG no hydrogen 2.747 N/A VAL 136.A N LYS 166.A O no hydrogen 2.925 N/A TYR 137.A OH THR 36.A OG1 no hydrogen 2.709 N/A THR 138.A N LYS 163.A O no hydrogen 2.797 N/A ARG 139.A N THR 95.A O no hydrogen 2.889 N/A ARG 139.A NH1 SER 34.A O no hydrogen 3.419 N/A SER 146.A N ARG 143.A O no hydrogen 3.004 N/A LEU 147.A N LYS 144.A O no hydrogen 3.005 N/A LYS 148.A NZ GLU 154.A OE1 no hydrogen 2.992 N/A TYR 150.A N ILE 29.A O no hydrogen 2.843 N/A TYR 150.A OH SER 145.A O no hydrogen 2.753 N/A ASN 151.A N GLU 154.A OE2 no hydrogen 2.995 N/A ASN 153.A N ASN 151.A OD1 no hydrogen 2.859 N/A GLU 154.A N ASN 151.A O no hydrogen 3.100 N/A GLU 157.A N GLU 154.A O no hydrogen 2.886 N/A TYR 162.A OH VAL 19.A O no hydrogen 2.619 N/A LYS 163.A N THR 138.A O no hydrogen 3.109 N/A LYS 166.A N VAL 136.A O no hydrogen 2.903 N/A PHE 168.A N GLY 134.A O no hydrogen 2.930 N/A GLN 170.A N ILE 132.A O no hydrogen 3.063 N/A GLN 170.A NE2 PHE 198.A O no hydrogen 2.824 N/A ASP 171.A N GLN 170.A OE1 no hydrogen 3.197 N/A LYS 172.A N HIS 130.A O no hydrogen 2.785 N/A LYS 172.A NZ LEU 106.A O no hydrogen 3.517 N/A ILE 175.A N ASP 171.A O no hydrogen 3.449 N/A GLY 177.A N GLY 189.A O no hydrogen 2.752 N/A ALA 180.A N TYR 218.A OH no hydrogen 3.037 N/A GLY 181.A N ASN 187.A O no hydrogen 2.648 N/A SER 182.A OG THR 185.A OG1 no hydrogen 2.635 N/A THR 185.A OG1 SER 182.A OG no hydrogen 2.635 N/A THR 186.A N GLY 183.A O no hydrogen 3.079 N/A ASN 187.A N SER 182.A OG no hydrogen 3.230 N/A ASN 187.A ND2 THR 185.A O no hydrogen 2.822 N/A ILE 188.A N GLY 107.A O no hydrogen 2.739 N/A SER 190.A N PHE 104.A O no hydrogen 2.967 N/A SER 190.A OG PHE 104.A O no hydrogen 3.456 N/A SER 190.A OG ILE 191.A O no hydrogen 2.680 N/A ILE 191.A N ILE 175.A O no hydrogen 2.867 N/A ALA 193.A N ILE 102.A O no hydrogen 3.086 N/A TYR 195.A OH VAL 167.A O no hydrogen 2.743 N/A LYS 196.A NZ ASP 197.A OD1 no hydrogen 2.684 N/A LYS 196.A NZ ASP 197.A OD2 no hydrogen 3.065 N/A ASP 197.A N HIS 194.A O no hydrogen 2.911 N/A PHE 198.A N TYR 195.A O no hydrogen 2.875 N/A VAL 199.A N TYR 195.A O no hydrogen 3.300 N/A GLU 200.A N LYS 196.A O no hydrogen 2.880 N/A GLY 201.A N ASP 197.A O no hydrogen 2.803 N/A GLY 201.A N PHE 198.A O no hydrogen 3.272 N/A LYS 202.A N ASP 197.A O no hydrogen 2.986 N/A ASP 206.A N GLU 210.A OE1 no hydrogen 2.807 N/A GLU 210.A N SER 207.A OG no hydrogen 3.206 N/A PHE 211.A N SER 207.A O no hydrogen 3.183 N/A LEU 212.A N GLU 208.A O no hydrogen 2.977 N/A ASP 213.A N ASP 209.A O no hydrogen 2.839 N/A TYR 214.A N GLU 210.A O no hydrogen 2.911 N/A TYR 214.A OH ASP 178.A O no hydrogen 2.598 N/A TRP 215.A N PHE 211.A O no hydrogen 3.151 N/A TRP 215.A NE1 GLY 177.A O no hydrogen 2.988 N/A ARG 216.A N LEU 212.A O no hydrogen 2.953 N/A ARG 216.A NE ILE 113.A O no hydrogen 2.687 N/A ARG 216.A NH2 ILE 113.A O no hydrogen 3.528 N/A ASN 217.A N ASP 213.A O no hydrogen 3.185 N/A ASN 217.A ND2 ASP 213.A O no hydrogen 3.267 N/A GLN 223.A NE2 GLN 223.A O no hydrogen 3.039 N/A LEU 224.A N THR 221.A OG1 no hydrogen 3.301 N/A ARG 225.A N THR 221.A O no hydrogen 3.039 N/A ARG 225.A NH1 GLU 219.A O no hydrogen 2.764 N/A ASN 226.A N SER 222.A O no hydrogen 3.148 N/A LYS 228.A N ARG 225.A O no hydrogen 2.787 N/A LYS 228.A NZ ASN 217.A O no hydrogen 2.681 N/A TYR 229.A OH TYR 214.A O no hydrogen 2.610 N/A ASN 230.A N GLU 234.A OE2 no hydrogen 3.000 N/A ILE 232.A N ASP 178.A OD2 no hydrogen 2.618 N/A GLU 234.A N ASN 231.A OD1 no hydrogen 2.691 N/A TYR 235.A N ASN 231.A O no hydrogen 2.935 N/A TYR 235.A OH ASP 213.A OD2 no hydrogen 2.441 N/A ARG 236.A N ILE 232.A O no hydrogen 2.903 N/A ARG 236.A NE GLU 210.A OE2 no hydrogen 2.994 N/A ARG 236.A NH2 ILE 204.A O no hydrogen 3.041 N/A ARG 236.A NH2 GLU 210.A OE1 no hydrogen 3.163 N/A ARG 236.A NH2 GLU 210.A OE2 no hydrogen 3.470 N/A ASN 237.A N SER 233.A O no hydrogen 2.973 N/A TRP 238.A N GLU 234.A O no hydrogen 2.744 N/A ILE 239.A N TYR 235.A O no hydrogen 2.710 N/A TYR 240.A N ARG 236.A O no hydrogen 2.831 N/A ARG 241.A N ASN 237.A O no hydrogen 2.899 N/A GLY 242.A N ILE 239.A O no hydrogen 3.141 N/A ARG 243.A N TRP 238.A O no hydrogen 2.890 N/A ARG 243.A NH1 ASP 213.A OD1 no hydrogen 3.455 N/A ARG 243.A NH1 ASP 213.A OD2 no hydrogen 3.043 N/A ARG 243.A NH2 ASP 213.A OD1 no hydrogen 2.991 N/A LYS 244.A NZ GLY 242.A O no hydrogen 3.445 N/A