Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2whu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 7.A N GLY 30.A O no hydrogen 3.085 N/A THR 8.A N ASN 108.A O no hydrogen 2.939 N/A THR 8.A OG1 ASN 108.A O no hydrogen 3.305 N/A TYR 9.A N GLY 28.A O no hydrogen 2.831 N/A TYR 9.A OH GLN 37.A OE1 no hydrogen 3.088 N/A LYS 10.A N PHE 110.A O no hydrogen 3.026 N/A LYS 10.A NZ ASP 27.A OD1 no hydrogen 3.428 N/A VAL 11.A N GLY 26.A O no hydrogen 2.831 N/A TYR 12.A N TYR 112.A O no hydrogen 2.730 N/A MET 13.A N VAL 24.A O no hydrogen 2.835 N/A SER 14.A N VAL 114.A O no hydrogen 3.336 N/A GLY 15.A N PHE 22.A O no hydrogen 3.331 N/A THR 16.A N ILE 116.A O no hydrogen 2.831 N/A VAL 17.A N HIS 20.A O no hydrogen 3.013 N/A ASN 18.A N GLY 118.A O no hydrogen 2.822 N/A ASN 18.A ND2 PHE 121.A O no hydrogen 2.745 N/A HIS 20.A N VAL 17.A O no hydrogen 2.801 N/A HIS 20.A NE2 GLY 46.A O no hydrogen 2.716 N/A TYR 21.A OH GLU 23.A OE2 no hydrogen 2.722 N/A PHE 22.A N GLY 15.A O no hydrogen 3.074 N/A GLU 23.A N LYS 45.A O no hydrogen 2.756 N/A VAL 24.A N MET 13.A O no hydrogen 3.075 N/A GLU 25.A N THR 42.A O no hydrogen 2.922 N/A GLY 26.A N VAL 11.A O no hydrogen 2.973 N/A ASP 27.A N LYS 40.A O no hydrogen 2.946 N/A GLY 28.A N TYR 9.A O no hydrogen 2.824 N/A LYS 29.A N THR 38.A O no hydrogen 3.142 N/A GLY 30.A N MET 7.A O no hydrogen 3.072 N/A LYS 31.A N GLU 36.A O no hydrogen 2.966 N/A TYR 33.A OH ILE 3.A O no hydrogen 3.070 N/A GLU 34.A N LYS 31.A O no hydrogen 2.667 N/A GLY 35.A N LYS 31.A O no hydrogen 3.156 N/A GLN 37.A N GLU 207.A O no hydrogen 3.125 N/A GLN 37.A NE2 SER 61.A O no hydrogen 2.736 N/A THR 38.A N LYS 29.A O no hydrogen 3.039 N/A THR 38.A OG1 LYS 29.A O no hydrogen 3.424 N/A VAL 39.A N GLN 205.A O no hydrogen 3.061 N/A LYS 40.A N ASP 27.A O no hydrogen 2.715 N/A LEU 41.A N VAL 203.A O no hydrogen 2.781 N/A THR 42.A N GLU 25.A O no hydrogen 2.728 N/A VAL 43.A N THR 201.A O no hydrogen 3.071 N/A LYS 45.A N GLU 23.A O no hydrogen 3.030 N/A ALA 52.A N VAL 127.A O no hydrogen 3.094 N/A LEU 56.A N TRP 53.A O no hydrogen 3.088 N/A SER 57.A N TRP 53.A O no hydrogen 3.388 N/A SER 57.A OG ASP 54.A O no hydrogen 3.407 N/A GLN 59.A N LEU 56.A O no hydrogen 2.614 N/A GLN 59.A NE2 ILE 55.A O no hydrogen 3.252 N/A LEU 60.A N SER 57.A O no hydrogen 3.135 N/A THR 65.A OG1 ILE 62.A O no hydrogen 2.380 N/A LYS 66.A N ALA 209.A O no hydrogen 2.864 N/A TYR 67.A OH HIS 185.A NE2 no hydrogen 2.881 N/A ILE 71.A N PRO 68.A O no hydrogen 2.792 N/A TYR 74.A N PRO 72.A O no hydrogen 2.869 N/A TYR 74.A OH GLY 147.A O no hydrogen 2.807 N/A TYR 74.A OH TYR 173.A O no hydrogen 3.420 N/A LYS 76.A N ASP 73.A OD1 no hydrogen 2.961 N/A LYS 76.A NZ PRO 32.A O no hydrogen 3.233 N/A LYS 76.A NZ PRO 63.A O no hydrogen 3.029 N/A LYS 76.A NZ THR 65.A O no hydrogen 3.117 N/A LYS 76.A NZ ASP 73.A OD2 no hydrogen 2.541 N/A GLN 77.A N ASP 73.A O no hydrogen 2.885 N/A GLN 77.A NE2 ARG 180.A O no hydrogen 3.029 N/A SER 78.A N TYR 74.A O no hydrogen 3.269 N/A SER 78.A N PHE 75.A O no hydrogen 3.289 N/A SER 78.A OG PHE 75.A O no hydrogen 2.838 N/A PHE 79.A N LYS 76.A O no hydrogen 3.085 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 2.438 N/A GLY 82.A N SER 78.A O no hydrogen 2.700 N/A TYR 83.A N SER 103.A O no hydrogen 2.900 N/A THR 84.A N LYS 174.A O no hydrogen 2.878 N/A TRP 85.A N ASN 101.A O no hydrogen 3.073 N/A GLU 86.A N THR 172.A O no hydrogen 3.082 N/A ARG 87.A N VAL 99.A O no hydrogen 2.772 N/A ARG 87.A NE SER 171.A OG no hydrogen 2.642 N/A ARG 87.A NH1 PRO 58.A O no hydrogen 3.338 N/A ARG 87.A NH2 TYR 173.A OH no hydrogen 3.143 N/A SER 88.A N LYS 170.A O no hydrogen 2.897 N/A MET 89.A N CYS 97.A O no hydrogen 3.020 N/A ASN 90.A N GLU 168.A O no hydrogen 2.911 N/A PHE 91.A N ALA 95.A O no hydrogen 3.162 N/A GLU 92.A N LEU 166.A O no hydrogen 2.994 N/A GLY 94.A N PHE 91.A O no hydrogen 3.026 N/A VAL 96.A N GLU 119.A O no hydrogen 2.728 N/A CYS 97.A N MET 89.A O no hydrogen 2.846 N/A CYS 97.A SG VAL 96.A O no hydrogen 3.266 N/A THR 98.A N SER 117.A O no hydrogen 2.716 N/A VAL 99.A N ARG 87.A O no hydrogen 2.879 N/A SER 100.A N LYS 115.A O no hydrogen 3.167 N/A ASN 101.A N TRP 85.A O no hydrogen 3.058 N/A ASN 101.A ND2 SER 103.A OG no hydrogen 2.745 N/A ASP 102.A N ASN 113.A O no hydrogen 2.953 N/A SER 103.A N TYR 83.A O no hydrogen 2.801 N/A SER 103.A OG TYR 83.A OH no hydrogen 3.427 N/A SER 104.A N ILE 111.A O no hydrogen 3.055 N/A SER 104.A OG ASP 102.A OD1 no hydrogen 3.389 N/A GLN 106.A N CYS 109.A O no hydrogen 2.744 N/A CYS 109.A N GLN 106.A O no hydrogen 3.052 N/A CYS 109.A SG THR 8.A OG1 no hydrogen 3.569 N/A CYS 109.A SG PHE 110.A O no hydrogen 3.686 N/A PHE 110.A N THR 8.A O no hydrogen 3.043 N/A ILE 111.A N SER 104.A O no hydrogen 2.778 N/A TYR 112.A N LYS 10.A O no hydrogen 2.861 N/A ASN 113.A N ASP 102.A O no hydrogen 3.074 N/A VAL 114.A N TYR 12.A O no hydrogen 2.718 N/A LYS 115.A N SER 100.A O no hydrogen 2.903 N/A LYS 115.A NZ ASN 113.A OD1 no hydrogen 3.036 N/A ILE 116.A N SER 14.A O no hydrogen 2.863 N/A SER 117.A N THR 98.A O no hydrogen 2.850 N/A GLY 118.A N THR 16.A O no hydrogen 2.961 N/A GLU 119.A N VAL 96.A O no hydrogen 2.934 N/A ASN 120.A ND2 GLY 94.A O no hydrogen 2.503 N/A PHE 121.A N ASN 18.A OD1 no hydrogen 3.349 N/A GLY 125.A N PRO 122.A O no hydrogen 2.652 N/A GLN 129.A N GLY 125.A O no hydrogen 2.824 N/A GLN 129.A NE2 PRO 123.A O no hydrogen 2.931 N/A LYS 130.A N VAL 127.A O no hydrogen 3.423 N/A LYS 130.A NZ LEU 49.A O no hydrogen 2.445 N/A LYS 131.A N PRO 126.A O no hydrogen 3.057 N/A THR 132.A OG1 ASP 54.A OD2 no hydrogen 2.782 N/A GLN 133.A N LYS 158.A O no hydrogen 2.913 N/A GLY 134.A N ASP 54.A OD2 no hydrogen 3.385 N/A TRP 135.A NE1 ASP 54.A O no hydrogen 2.953 N/A GLU 136.A N ALA 156.A O no hydrogen 2.928 N/A SER 138.A N ARG 189.A O no hydrogen 2.731 N/A SER 138.A OG ASP 153.A OD1 no hydrogen 3.236 N/A SER 138.A OG ASP 153.A OD2 no hydrogen 2.790 N/A THR 139.A OG1 ASP 188.A OD1 no hydrogen 3.003 N/A GLU 140.A N ILE 187.A O no hydrogen 2.950 N/A ARG 141.A N ASN 152.A O no hydrogen 2.803 N/A LEU 142.A N HIS 185.A O no hydrogen 2.767 N/A PHE 143.A N ILE 150.A O no hydrogen 2.903 N/A ARG 145.A N MET 148.A O no hydrogen 3.009 N/A MET 148.A N ARG 145.A O no hydrogen 2.949 N/A LEU 149.A N TYR 173.A O no hydrogen 2.966 N/A ILE 150.A N PHE 143.A O no hydrogen 2.636 N/A GLY 151.A N SER 171.A O no hydrogen 2.784 N/A ASN 152.A N ARG 141.A O no hydrogen 3.078 N/A ASP 153.A N PHE 169.A O no hydrogen 3.136 N/A MET 155.A N CYS 167.A O no hydrogen 2.991 N/A LEU 157.A N TYR 165.A O no hydrogen 3.132 N/A LYS 158.A N GLY 134.A O no hydrogen 2.807 N/A LYS 158.A NZ TRP 135.A O no hydrogen 3.112 N/A LEU 159.A N GLY 163.A O no hydrogen 3.446 N/A GLU 160.A N LYS 131.A O no hydrogen 3.064 N/A GLY 162.A N LEU 159.A O no hydrogen 3.066 N/A HIS 164.A NE2 GLU 136.A OE2 no hydrogen 2.676 N/A TYR 165.A N LEU 157.A O no hydrogen 2.776 N/A TYR 165.A OH ASP 93.A OD1 no hydrogen 2.554 N/A TYR 165.A OH ASP 93.A OD2 no hydrogen 3.057 N/A LEU 166.A N GLU 92.A OE2 no hydrogen 2.560 N/A CYS 167.A SG GLU 168.A O no hydrogen 3.774 N/A GLU 168.A N ASN 90.A O no hydrogen 2.689 N/A PHE 169.A N ASP 153.A O no hydrogen 2.978 N/A LYS 170.A N SER 88.A O no hydrogen 2.969 N/A LYS 170.A NZ GLU 168.A OE2 no hydrogen 3.568 N/A SER 171.A N GLY 151.A O no hydrogen 3.008 N/A THR 172.A N GLU 86.A O no hydrogen 2.979 N/A TYR 173.A N LEU 149.A O no hydrogen 2.956 N/A TYR 173.A OH GLU 140.A OE2 no hydrogen 2.980 N/A LYS 174.A N THR 84.A O no hydrogen 2.708 N/A ALA 175.A N TYR 74.A OH no hydrogen 2.678 N/A LYS 176.A N GLY 82.A O no hydrogen 2.784 N/A LYS 176.A NZ GLU 81.A O no hydrogen 3.507 N/A LYS 176.A NZ ASP 102.A OD1 no hydrogen 3.256 N/A LYS 176.A NZ ASP 102.A OD2 no hydrogen 2.512 N/A LYS 177.A NZ PHE 79.A O no hydrogen 2.500 N/A LYS 177.A NZ GLU 81.A OE1 no hydrogen 2.665 N/A LYS 177.A NZ GLU 81.A OE2 no hydrogen 3.405 N/A ARG 180.A N GLN 77.A OE1 no hydrogen 2.312 N/A HIS 185.A N LEU 142.A O no hydrogen 3.101 N/A HIS 185.A ND1 GLY 183.A O no hydrogen 3.136 N/A HIS 185.A NE2 TYR 67.A OH no hydrogen 2.881 N/A GLU 186.A N ARG 212.A O no hydrogen 3.158 N/A ILE 187.A N GLU 140.A O no hydrogen 2.890 N/A ASP 188.A N ILE 210.A O no hydrogen 2.604 N/A ARG 189.A N SER 138.A O no hydrogen 2.980 N/A ARG 189.A NE GLU 207.A OE2 no hydrogen 3.355 N/A ARG 189.A NH2 GLU 140.A OE1 no hydrogen 2.634 N/A LYS 190.A N ILE 208.A O no hydrogen 3.103 N/A ASP 192.A N CYS 206.A O no hydrogen 3.030 N/A THR 194.A N GLU 204.A O no hydrogen 3.276 N/A THR 194.A OG1 GLU 204.A O no hydrogen 3.301 N/A SER 195.A N GLU 204.A O no hydrogen 3.493 N/A ASN 197.A N SER 202.A O no hydrogen 3.062 N/A ASN 197.A ND2 THR 201.A OG1 no hydrogen 2.677 N/A TYR 200.A N ASN 197.A O no hydrogen 3.063 N/A THR 201.A N ASP 199.A OD1 no hydrogen 2.758 N/A THR 201.A OG1 ASP 199.A OD1 no hydrogen 3.029 N/A SER 202.A N ASN 197.A OD1 no hydrogen 2.590 N/A GLU 204.A N SER 195.A O no hydrogen 2.751 N/A GLN 205.A N VAL 39.A O no hydrogen 3.188 N/A CYS 206.A N ASP 192.A O no hydrogen 2.977 N/A GLU 207.A N GLN 37.A O no hydrogen 2.838 N/A ILE 208.A N LYS 190.A O no hydrogen 3.037 N/A ALA 209.A N GLY 35.A O no hydrogen 2.989 N/A ILE 210.A N ASP 188.A O no hydrogen 2.863 N/A ALA 211.A N LYS 66.A O no hydrogen 2.922 N/A ARG 212.A N GLU 186.A O no hydrogen 3.201 N/A ARG 212.A NE ASP 188.A OD2 no hydrogen 2.857 N/A ARG 212.A NH1 GLU 186.A OE2 no hydrogen 2.645 N/A ARG 212.A NH2 ASP 188.A OD1 no hydrogen 2.651 N/A ARG 212.A NH2 ASP 188.A OD2 no hydrogen 2.898 N/A HIS 213.A NE2 ASP 70.A OD2 no hydrogen 2.493 N/A SER 214.A OG GLU 186.A OE1 no hydrogen 2.776 N/A