Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wnh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N LYS 45.A O no hydrogen 2.799 N/A ILE 6.A N ALA 43.A O no hydrogen 2.923 N/A HIS 10.A N PRO 7.A O no hydrogen 2.838 N/A ALA 12.A N HIS 10.A ND1 no hydrogen 2.970 N/A SER 14.A N HIS 10.A O no hydrogen 3.018 N/A SER 14.A OG HIS 10.A O no hydrogen 3.555 N/A ARG 15.A N TYR 11.A O no hydrogen 2.898 N/A ARG 15.A NH1 GLU 157.A O no hydrogen 2.898 N/A ALA 16.A N ALA 12.A O no hydrogen 3.003 N/A ALA 17.A N ALA 13.A O no hydrogen 2.873 N/A SER 18.A N SER 14.A O no hydrogen 2.963 N/A VAL 19.A N ARG 15.A O no hydrogen 3.104 N/A ALA 20.A N ALA 16.A O no hydrogen 2.967 N/A GLU 21.A N ALA 17.A O no hydrogen 2.842 N/A ASN 22.A N SER 18.A O no hydrogen 2.881 N/A CYS 23.A N VAL 19.A O no hydrogen 3.041 N/A CYS 23.A SG.B VAL 19.A O no hydrogen 3.620 N/A ILE 24.A N ALA 20.A O no hydrogen 2.838 N/A ASN 25.A N GLU 21.A O no hydrogen 2.866 N/A ASN 25.A ND2 PHE 35.A O no hydrogen 2.867 N/A TYR 26.A N ASN 22.A O no hydrogen 2.994 N/A GLN 27.A N CYS 23.A O no hydrogen 2.885 N/A GLN 28.A N ILE 24.A O no hydrogen 2.651 N/A GLY 29.A N ASN 25.A O no hydrogen 2.808 N/A THR 30.A N LYS 33.A O no hydrogen 2.843 N/A THR 30.A OG1 ASP 106.A OD1 no hydrogen 3.347 N/A THR 30.A OG1 ASP 106.A OD2 no hydrogen 2.873 N/A HIS 32.A N THR 30.A OG1 no hydrogen 3.068 N/A HIS 32.A ND1 ASP 106.A OD1 no hydrogen 2.951 N/A LYS 33.A N THR 30.A O no hydrogen 2.892 N/A LYS 33.A NZ GLN 28.A O no hydrogen 3.497 N/A LYS 33.A NZ ASN 101.A OD1 no hydrogen 2.937 N/A LEU 34.A N GLU 63.A OE2 no hydrogen 2.877 N/A PHE 35.A N ASN 25.A OD1 no hydrogen 2.693 N/A LEU 36.A N GLU 62.A O no hydrogen 2.905 N/A VAL 37.A N GLU 21.A OE1 no hydrogen 2.883 N/A GLN 38.A N SER 60.A O no hydrogen 2.783 N/A GLN 38.A NE2 SER 60.A OG no hydrogen 3.408 N/A THR 39.A N SER 60.A OG no hydrogen 3.116 N/A GLN 41.A N LYS 58.A O no hydrogen 2.739 N/A GLN 41.A NE2 ASN 72.A OD1 no hydrogen 3.025 N/A GLN 42.A N LYS 58.A O no hydrogen 3.138 N/A GLN 42.A NE2 GLU 5.A OE1 no hydrogen 3.187 N/A GLN 42.A NE2 GLU 5.A OE2 no hydrogen 3.002 N/A SER 44.A N HIS 56.A O no hydrogen 2.987 N/A LYS 45.A N MET 4.A O no hydrogen 2.833 N/A GLU 46.A N LYS 54.A O no hydrogen 2.772 N/A ILE 48.A N GLY 52.A O no hydrogen 2.828 N/A ARG 51.A N ILE 48.A O no hydrogen 2.888 N/A ARG 51.A NH2.A GLU 89.A OE1 no hydrogen 3.068 N/A GLY 52.A N ILE 48.A O no hydrogen 3.069 N/A HIS 53.A N TYR 79.A O no hydrogen 2.940 N/A HIS 53.A ND1 GLU 157.A OE1 no hydrogen 2.862 N/A LYS 54.A N GLU 46.A O no hydrogen 2.714 N/A LYS 54.A NZ GLU 76.A OE1 no hydrogen 2.782 N/A TYR 55.A N VAL 77.A O no hydrogen 2.751 N/A TYR 55.A OH GLU 157.A OE1 no hydrogen 2.737 N/A HIS 56.A N SER 44.A O no hydrogen 2.910 N/A HIS 56.A ND1.A GLN 42.A OE1 no hydrogen 3.050 N/A HIS 56.A NE2.B GLU 46.A OE1 no hydrogen 3.110 N/A LEU 57.A N ALA 75.A O no hydrogen 2.793 N/A LYS 58.A N GLN 42.A O no hydrogen 3.048 N/A LYS 58.A NZ THR 74.A OG1.A no hydrogen 2.994 N/A PHE 59.A N CYS 73.A O no hydrogen 3.017 N/A SER 60.A N THR 39.A O no hydrogen 2.927 N/A SER 60.A OG THR 39.A O no hydrogen 3.466 N/A VAL 61.A N VAL 71.A O no hydrogen 2.826 N/A GLU 62.A N LEU 36.A O no hydrogen 2.912 N/A GLU 63.A N VAL 69.A O no hydrogen 2.962 N/A ILE 64.A N LEU 34.A O no hydrogen 2.839 N/A ILE 65.A N GLU 63.A OE2 no hydrogen 2.889 N/A GLN 66.A N GLU 63.A OE1 no hydrogen 2.640 N/A GLN 66.A NE2 GLU 105.A OE1 no hydrogen 3.066 N/A LYS 67.A N GLU 63.A OE1 no hydrogen 3.213 N/A GLN 68.A NE2 GLN 66.A O no hydrogen 3.410 N/A VAL 71.A N VAL 61.A O no hydrogen 2.926 N/A ASN 72.A ND2 GLU 95.A OE1 no hydrogen 2.852 N/A CYS 73.A N PHE 59.A O no hydrogen 2.683 N/A CYS 73.A SG.B THR 74.A O no hydrogen 3.669 N/A CYS 73.A SG.B THR 93.A O no hydrogen 3.405 N/A THR 74.A N THR 93.A O no hydrogen 2.986 N/A THR 74.A OG1.B LEU 57.A O no hydrogen 3.481 N/A ALA 75.A N LEU 57.A O no hydrogen 2.848 N/A GLU 76.A N ASN 91.A O no hydrogen 2.965 N/A VAL 77.A N TYR 55.A O no hydrogen 2.923 N/A LEU 78.A N GLU 89.A O no hydrogen 2.820 N/A TYR 79.A N HIS 53.A O no hydrogen 2.936 N/A GLN 84.A N GLN 81.A O no hydrogen 3.096 N/A GLU 89.A N LEU 78.A O no hydrogen 2.843 N/A ASN 91.A N GLU 76.A O no hydrogen 3.090 N/A THR 93.A N THR 74.A O no hydrogen 2.916 N/A GLU 95.A N ASN 72.A O no hydrogen 2.862 N/A ASP 103.A N ASN 101.A O no hydrogen 2.722 N/A ASP 106.A N PRO 102.A O no hydrogen 2.914 N/A ASN 107.A N ASP 103.A O no hydrogen 2.795 N/A THR 108.A N GLU 104.A O no hydrogen 2.920 N/A THR 108.A OG1 GLU 104.A O no hydrogen 3.027 N/A PHE 109.A N GLU 105.A O no hydrogen 3.007 N/A TYR 110.A N ASP 106.A O no hydrogen 2.827 N/A TYR 110.A OH ASP 177.A O no hydrogen 2.505 N/A GLN 111.A N ASN 107.A O no hydrogen 2.693 N/A SER 112.A N THR 108.A O no hydrogen 2.939 N/A LEU 113.A N PHE 109.A O no hydrogen 3.049 N/A MET 114.A N TYR 110.A O no hydrogen 3.007 N/A SER 115.A N GLN 111.A O no hydrogen 2.848 N/A SER 115.A OG GLN 111.A O no hydrogen 3.212 N/A LEU 116.A N LEU 113.A O no hydrogen 3.366 N/A LEU 120.A N GLN 171.A OE1.A no hydrogen 3.225 N/A LEU 120.A N GLN 171.A OE1.B no hydrogen 2.986 N/A ALA 122.A N VAL 169.A O no hydrogen 2.943 N/A ASP 124.A N GLN 167.A O no hydrogen 2.976 N/A ILE 125.A N ILE 166.A O no hydrogen 3.066 N/A ASP 127.A N ASN 131.A O no hydrogen 2.980 N/A PHE 129.A N ASP 127.A OD1 no hydrogen 2.888 N/A GLY 130.A N ASP 127.A O no hydrogen 2.863 N/A ASN 131.A N ASP 127.A OD1 no hydrogen 2.906 N/A ASN 131.A ND2 ASP 127.A OD2 no hydrogen 3.215 N/A MET 136.A N SER 133.A O no hydrogen 2.906 N/A MET 136.A N SER 133.A OG no hydrogen 3.175 N/A LYS 137.A N SER 133.A O no hydrogen 3.053 N/A LYS 137.A N PRO 134.A O no hydrogen 3.268 N/A LYS 137.A NZ GLN 140.A OE1 no hydrogen 3.027 N/A GLN 140.A N MET 136.A O no hydrogen 2.813 N/A HIS 141.A N LYS 137.A O no hydrogen 2.812 N/A LEU 142.A N PRO 138.A O no hydrogen 2.875 N/A ALA 143.A N VAL 139.A O no hydrogen 3.141 N/A TRP 144.A N GLN 140.A O no hydrogen 2.955 N/A VAL 145.A N HIS 141.A O no hydrogen 2.885 N/A ALA 146.A N LEU 142.A O no hydrogen 2.966 N/A CYS 147.A N ALA 143.A O no hydrogen 2.724 N/A GLY 148.A N TRP 144.A O no hydrogen 3.159 N/A GLY 148.A N VAL 145.A O no hydrogen 3.091 N/A TYR 149.A N ALA 146.A O no hydrogen 2.878 N/A MET 151.A N CYS 147.A O no hydrogen 2.837 N/A TRP 152.A N GLY 148.A O no hydrogen 2.970 N/A TRP 152.A NE1 PRO 88.A O no hydrogen 2.892 N/A GLN 153.A N TYR 149.A O no hydrogen 2.948 N/A ASN 154.A N VAL 150.A O no hydrogen 3.121 N/A ASN 154.A ND2 VAL 150.A O no hydrogen 2.804 N/A SER 155.A N TRP 152.A O no hydrogen 3.192 N/A SER 155.A OG MET 151.A O no hydrogen 2.622 N/A THR 156.A N THR 159.A OG1 no hydrogen 2.906 N/A ASP 158.A N THR 156.A OG1 no hydrogen 3.050 N/A THR 159.A N THR 156.A O no hydrogen 3.091 N/A THR 159.A OG1 THR 156.A O no hydrogen 3.184 N/A TRP 160.A N ASP 189.A OD1 no hydrogen 3.024 N/A LYS 162.A N HIS 188.A O no hydrogen 2.877 N/A LEU 164.A N LEU 186.A O no hydrogen 2.985 N/A LYS 165.A N LEU 186.A O no hydrogen 3.501 N/A LYS 165.A NZ ASP 124.A OD1 no hydrogen 2.786 N/A LYS 165.A NZ GLN 167.A OE1 no hydrogen 3.058 N/A ILE 166.A N ILE 125.A O no hydrogen 2.811 N/A GLN 167.A N THR 184.A O no hydrogen 2.701 N/A THR 168.A N THR 184.A O no hydrogen 3.175 N/A THR 168.A OG1 THR 184.A OG1.B no hydrogen 2.684 N/A VAL 169.A N ALA 122.A O no hydrogen 2.918 N/A LYS 170.A N ASP 182.A O no hydrogen 3.122 N/A GLN 171.A N.A LEU 120.A O no hydrogen 2.861 N/A GLN 171.A N.B LEU 120.A O no hydrogen 2.828 N/A GLN 171.A NE2.A LEU 113.A O no hydrogen 3.349 N/A GLN 171.A NE2.B LEU 113.A O no hydrogen 3.297 N/A VAL 172.A N.B GLU 180.A O no hydrogen 2.821 N/A ARG 174.A NE.A GLU 180.A OE1 no hydrogen 2.583 N/A ARG 174.A NE.B ASP 176.A OD1 no hydrogen 2.648 N/A ARG 174.A NE.B ASP 176.A OD2 no hydrogen 3.176 N/A ARG 174.A NH1.A ASP 176.A OD2 no hydrogen 3.276 N/A ARG 174.A NH1.B GLU 180.A OE1 no hydrogen 2.765 N/A ARG 174.A NH2.A GLU 180.A OE1 no hydrogen 2.812 N/A ARG 174.A NH2.B ASP 176.A OD2 no hydrogen 2.618 N/A PHE 178.A N ASP 176.A OD1 no hydrogen 2.852 N/A ILE 179.A N TRP 204.A O no hydrogen 2.969 N/A LEU 181.A N VAL 202.A O no hydrogen 2.839 N/A ASP 182.A N LYS 170.A O no hydrogen 3.142 N/A TYR 183.A N MET 200.A O no hydrogen 2.891 N/A TYR 183.A OH VAL 139.A O no hydrogen 2.892 N/A THR 184.A N THR 168.A O no hydrogen 2.827 N/A THR 184.A OG1.B THR 168.A OG1 no hydrogen 2.684 N/A ILE 185.A N TRP 198.A O no hydrogen 2.791 N/A LEU 186.A N LYS 165.A O no hydrogen 2.983 N/A LEU 187.A N ILE 196.A O no hydrogen 2.806 N/A HIS 188.A N LYS 162.A O no hydrogen 2.797 N/A HIS 188.A NE2 GLN 193.A OE1 no hydrogen 2.695 N/A ASP 189.A N GLU 194.A O no hydrogen 2.813 N/A ILE 190.A N TRP 160.A O no hydrogen 2.927 N/A ALA 191.A N ASP 189.A OD1 no hydrogen 2.984 N/A GLU 194.A N ASP 189.A O no hydrogen 3.155 N/A ILE 196.A N LEU 187.A O no hydrogen 2.909 N/A TRP 198.A N ILE 185.A O no hydrogen 2.824 N/A TRP 198.A NE1 ASN 215.A OD1 no hydrogen 2.854 N/A GLN 199.A N SER 216.A O no hydrogen 2.848 N/A GLN 199.A NE2 ASP 182.A OD1 no hydrogen 2.493 N/A GLN 199.A NE2 TYR 183.A O no hydrogen 3.288 N/A GLN 199.A NE2 GLN 201.A OE1 no hydrogen 2.742 N/A MET 200.A N TYR 183.A O no hydrogen 2.934 N/A GLN 201.A N HIS 214.A O no hydrogen 2.846 N/A GLN 201.A NE2 GLU 180.A OE2 no hydrogen 3.349 N/A VAL 202.A N LEU 181.A O no hydrogen 2.768 N/A LEU 203.A N LYS 211.A O no hydrogen 2.802 N/A TRP 204.A N ILE 179.A O no hydrogen 2.882 N/A HIS 205.A N GLY 209.A O no hydrogen 3.172 N/A GLN 207.A N HIS 205.A ND1 no hydrogen 3.098 N/A GLY 209.A N HIS 205.A O no hydrogen 2.712 N/A LYS 211.A N LEU 203.A O no hydrogen 2.771 N/A VAL 212.A N TYR 26.A OH no hydrogen 3.009 N/A LYS 213.A N GLN 201.A O no hydrogen 2.835 N/A SER 216.A N GLN 199.A O no hydrogen 2.899 N/A LEU 218.A N PRO 197.A O no hydrogen 2.898 N/A