Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4yio_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 50.A OE1.A no hydrogen 2.860 N/A ALA 1.A N GLU 50.A OE1.B no hydrogen 2.729 N/A ALA 1.A N GLU 50.A OE2.B no hydrogen 3.515 N/A ILE 2.A N ASN 39.A OD1 no hydrogen 2.822 N/A TYR 9.A OH TRP 84.A O no hydrogen 2.723 N/A TYR 11.A OH ASP 28.A OD1 no hydrogen 2.480 N/A ALA 13.A N ALA 10.A O no hydrogen 2.933 N/A GLU 15.A N ASP 12.A O no hydrogen 3.228 N/A TYR 17.A N LEU 14.A O no hydrogen 2.817 N/A ILE 18.A N LEU 14.A O no hydrogen 3.087 N/A ALA 20.A N GLU 15.A OE2.A no hydrogen 3.081 N/A ALA 20.A N GLU 15.A OE2.B no hydrogen 2.866 N/A THR 22.A N ASP 19.A OD2 no hydrogen 2.856 N/A THR 22.A OG1 ASP 19.A OD1 no hydrogen 3.149 N/A THR 22.A OG1 ASP 19.A OD2 no hydrogen 2.546 N/A MET 23.A N ASP 19.A O no hydrogen 2.974 N/A THR 24.A N ALA 20.A O no hydrogen 2.868 N/A THR 24.A OG1 ALA 20.A O no hydrogen 2.709 N/A LEU 25.A N GLU 21.A O no hydrogen 2.876 N/A HIS 26.A N THR 22.A O no hydrogen 2.764 N/A HIS 26.A NE2 HIS 80.A NE2 no hydrogen 3.096 N/A HIS 27.A N MET 23.A O no hydrogen 3.025 N/A HIS 27.A ND1 ASP 28.A OD1 no hydrogen 2.704 N/A HIS 27.A NE2 PRO 5.A O no hydrogen 2.706 N/A ASP 28.A N THR 24.A O no hydrogen 2.805 N/A LYS 29.A N LEU 25.A O no hydrogen 2.828 N/A HIS 30.A N LEU 25.A O no hydrogen 2.972 N/A HIS 31.A N HIS 26.A O no hydrogen 2.978 N/A HIS 31.A NE2 HIS 77.A ND1 no hydrogen 3.003 N/A ALA 32.A N HIS 27.A O no hydrogen 3.301 N/A THR 33.A N LYS 29.A O no hydrogen 2.936 N/A THR 33.A OG1 LYS 29.A O no hydrogen 2.879 N/A TYR 34.A N HIS 30.A O no hydrogen 3.082 N/A VAL 35.A N HIS 31.A O no hydrogen 3.010 N/A ALA 36.A N ALA 32.A O no hydrogen 2.938 N/A ASN 37.A N THR 33.A O no hydrogen 2.973 N/A ASN 37.A ND2 ASN 73.A OD1 no hydrogen 3.489 N/A ALA 38.A N TYR 34.A O no hydrogen 2.859 N/A ASN 39.A N VAL 35.A O no hydrogen 2.906 N/A ASN 39.A ND2 ILE 2.A O no hydrogen 2.891 N/A ALA 40.A N ALA 36.A O no hydrogen 2.914 N/A ALA 41.A N ASN 37.A O no hydrogen 3.270 N/A LEU 42.A N ALA 38.A O no hydrogen 2.978 N/A GLU 43.A N ASN 39.A O no hydrogen 2.966 N/A LYS 44.A N ALA 41.A O no hydrogen 3.063 N/A HIS 45.A N LEU 42.A O no hydrogen 2.879 N/A GLU 47.A N GLU 47.A OE1 no hydrogen 2.686 N/A ILE 48.A N HIS 45.A O no hydrogen 3.058 N/A GLY 49.A N PRO 46.A O no hydrogen 3.205 N/A ALA 54.A N ASP 51.A OD1 no hydrogen 3.299 N/A LEU 55.A N ASP 51.A O no hydrogen 2.751 N/A LEU 56.A N LEU 52.A O no hydrogen 2.833 N/A ALA 57.A N ALA 54.A O no hydrogen 3.207 N/A LYS 61.A N ASP 58.A O no hydrogen 3.177 N/A ILE 62.A N VAL 59.A O no hydrogen 2.942 N/A ILE 66.A N PRO 63.A O no hydrogen 3.010 N/A ARG 67.A N ALA 64.A O no hydrogen 3.468 N/A ARG 67.A NE ILE 62.A O no hydrogen 2.922 N/A ARG 67.A NH2 ILE 62.A O no hydrogen 2.738 N/A GLN 68.A NE2 ASN 72.A OD1 no hydrogen 2.894 N/A LEU 70.A N ILE 66.A O no hydrogen 2.825 N/A ILE 71.A N ARG 67.A O no hydrogen 2.906 N/A ASN 72.A N GLN 68.A O no hydrogen 2.820 N/A ASN 73.A N ALA 69.A O no hydrogen 2.858 N/A ASN 73.A ND2 ALA 69.A O no hydrogen 2.886 N/A GLY 74.A N LEU 70.A O no hydrogen 2.709 N/A GLY 75.A N ILE 71.A O no hydrogen 3.050 N/A GLY 76.A N ASN 72.A O no hydrogen 2.969 N/A HIS 77.A N ASN 73.A O no hydrogen 2.919 N/A HIS 77.A ND1 HIS 31.A NE2 no hydrogen 3.003 N/A LEU 78.A N GLY 74.A O no hydrogen 2.881 N/A ASN 79.A N GLY 75.A O no hydrogen 2.801 N/A ASN 79.A ND2 GLN 147.A O no hydrogen 3.071 N/A ASN 79.A ND2 GLN 147.A OE1 no hydrogen 3.086 N/A HIS 80.A N GLY 76.A O no hydrogen 3.103 N/A HIS 80.A ND1 GLY 76.A O no hydrogen 2.715 N/A ALA 81.A N HIS 77.A O no hydrogen 2.869 N/A LEU 82.A N LEU 78.A O no hydrogen 2.993 N/A PHE 83.A N ASN 79.A O no hydrogen 2.945 N/A TRP 84.A N HIS 80.A O no hydrogen 2.966 N/A TRP 84.A NE1 HIS 31.A ND1 no hydrogen 2.997 N/A LEU 86.A N LEU 82.A O no hydrogen 3.015 N/A LEU 86.A N PHE 83.A O no hydrogen 3.029 N/A LEU 87.A N TRP 84.A O no hydrogen 3.369 N/A SER 88.A N ILE 186.A O no hydrogen 2.700 N/A SER 88.A OG GLU 90.A O no hydrogen 2.693 N/A GLU 90.A N SER 88.A OG no hydrogen 3.058 N/A LYS 91.A NZ GLU 185.A OE1 no hydrogen 3.085 N/A GLN 92.A NE2 SER 88.A OG no hydrogen 3.246 N/A GLN 92.A NE2 ASN 188.A OD1 no hydrogen 3.154 N/A ALA 99.A N THR 95.A O no hydrogen 2.844 N/A ALA 100.A N ALA 96.A O no hydrogen 2.884 N/A ALA 101.A N GLU 97.A O no hydrogen 3.122 N/A ILE 102.A N VAL 98.A O no hydrogen 2.803 N/A ASN 103.A N ALA 99.A O no hydrogen 2.999 N/A GLU 104.A N ALA 100.A O no hydrogen 2.917 N/A ALA 105.A N ALA 101.A O no hydrogen 3.129 N/A ALA 105.A N ILE 102.A O no hydrogen 3.177 N/A PHE 106.A N ILE 102.A O no hydrogen 2.797 N/A GLY 107.A N ASN 103.A O no hydrogen 2.854 N/A ALA 111.A N SER 108.A OG no hydrogen 3.045 N/A PHE 112.A N SER 108.A O no hydrogen 3.084 N/A GLN 113.A N PHE 109.A O no hydrogen 2.753 N/A GLU 114.A N GLU 110.A O no hydrogen 2.978 N/A VAL 115.A N ALA 111.A O no hydrogen 2.972 N/A PHE 116.A N PHE 112.A O no hydrogen 2.821 N/A THR 117.A N GLN 113.A O no hydrogen 2.814 N/A THR 117.A OG1 GLN 113.A O no hydrogen 2.744 N/A THR 118.A N GLU 114.A O no hydrogen 2.830 N/A THR 118.A OG1 GLU 114.A O no hydrogen 2.647 N/A SER 119.A N VAL 115.A O no hydrogen 2.910 N/A ALA 120.A N PHE 116.A O no hydrogen 2.956 N/A THR 121.A N THR 117.A O no hydrogen 2.882 N/A THR 121.A OG1 THR 117.A O no hydrogen 2.694 N/A THR 122.A N THR 118.A O no hydrogen 2.880 N/A THR 122.A OG1 THR 118.A O no hydrogen 2.890 N/A THR 122.A OG1 SER 119.A O no hydrogen 3.561 N/A ARG 123.A NE SER 143.A OG no hydrogen 3.084 N/A ARG 123.A NH2 SER 143.A OG no hydrogen 2.929 N/A TRP 128.A N THR 144.A O no hydrogen 3.003 N/A TRP 128.A NE1 GLN 147.A OE1 no hydrogen 2.897 N/A ALA 129.A N LEU 161.A O no hydrogen 3.014 N/A TRP 130.A N VAL 142.A O no hydrogen 2.789 N/A TRP 130.A NE1 THR 144.A OG1 no hydrogen 2.897 N/A LEU 131.A N LEU 159.A O no hydrogen 3.016 N/A VAL 132.A N GLU 140.A O no hydrogen 2.877 N/A VAL 133.A N LYS 156.A O no hydrogen 2.831 N/A ASN 134.A N LYS 138.A O no hydrogen 2.882 N/A ASN 134.A ND2 GLU 140.A OE2 no hydrogen 2.960 N/A GLY 137.A N ASN 134.A O no hydrogen 2.950 N/A LYS 138.A N ASN 134.A OD1 no hydrogen 2.897 N/A GLU 140.A N VAL 132.A O no hydrogen 2.950 N/A VAL 142.A N TRP 130.A O no hydrogen 3.108 N/A THR 144.A N TRP 128.A O no hydrogen 2.881 N/A THR 144.A OG1 ASP 148.A O no hydrogen 2.691 N/A ASN 146.A N SER 126.A O no hydrogen 2.896 N/A GLN 147.A NE2 TYR 34.A OH no hydrogen 2.917 N/A ASP 148.A N PRO 145.A O no hydrogen 2.914 N/A ILE 151.A N THR 149.A OG1 no hydrogen 3.069 N/A SER 152.A N THR 149.A O no hydrogen 3.009 N/A SER 152.A OG LEU 56.A O no hydrogen 2.688 N/A SER 152.A OG THR 149.A O no hydrogen 3.564 N/A ASP 153.A N PRO 150.A O no hydrogen 2.904 N/A GLY 154.A N ILE 151.A O no hydrogen 3.203 N/A LYS 155.A N PRO 150.A O no hydrogen 3.105 N/A LYS 155.A NZ.A GLU 140.A OE1 no hydrogen 2.547 N/A LYS 155.A NZ.A GLU 140.A OE2 no hydrogen 3.119 N/A LYS 155.A NZ.B GLU 140.A OE1 no hydrogen 2.900 N/A LYS 156.A N VAL 133.A O no hydrogen 2.825 N/A ILE 158.A N LEU 131.A O no hydrogen 2.879 N/A LEU 159.A N LEU 131.A O no hydrogen 3.219 N/A LEU 161.A N ALA 129.A O no hydrogen 2.772 N/A VAL 163.A N GLY 127.A O no hydrogen 2.896 N/A TRP 164.A N ASP 162.A OD1 no hydrogen 3.016 N/A TRP 164.A NE1 ASN 146.A O no hydrogen 2.873 N/A ALA 167.A N TRP 164.A O no hydrogen 2.876 N/A TYR 168.A N GLU 165.A O no hydrogen 3.078 N/A TYR 169.A N GLU 165.A O no hydrogen 2.843 N/A LYS 171.A NZ PRO 16.A O no hydrogen 3.462 N/A TYR 172.A N TYR 168.A O no hydrogen 2.884 N/A TYR 172.A OH TYR 17.A O no hydrogen 2.578 N/A ARG 173.A N TYR 169.A O no hydrogen 2.883 N/A ARG 173.A NE LEU 170.A O no hydrogen 2.891 N/A VAL 175.A N TYR 172.A O no hydrogen 2.965 N/A ARG 176.A N ASN 174.A O no hydrogen 2.925 N/A ARG 176.A NE TYR 168.A OH no hydrogen 2.951 N/A ARG 176.A NH1 ALA 120.A O no hydrogen 2.793 N/A ARG 176.A NH1 ARG 123.A O no hydrogen 2.766 N/A ARG 176.A NH2 ARG 123.A O no hydrogen 3.152 N/A ARG 176.A NH2 GLY 125.A O no hydrogen 3.551 N/A ASN 178.A N VAL 175.A O no hydrogen 2.988 N/A TYR 179.A OH ASP 162.A O no hydrogen 2.752 N/A ILE 180.A N ARG 176.A O no hydrogen 2.908 N/A LYS 181.A N PRO 177.A O no hydrogen 3.015 N/A ALA 182.A N ASN 178.A O no hydrogen 3.075 N/A PHE 183.A N TYR 179.A O no hydrogen 2.947 N/A PHE 184.A N LYS 181.A O no hydrogen 3.148 N/A GLU 185.A N ALA 182.A O no hydrogen 2.912 N/A ILE 186.A N PHE 183.A O no hydrogen 2.953 N/A ASN 188.A N LEU 86.A O no hydrogen 2.746 N/A ASN 188.A ND2 LEU 87.A O no hydrogen 3.623 N/A TRP 189.A N ILE 187.A O no hydrogen 3.091 N/A ASN 190.A N GLN 92.A OE1 no hydrogen 2.881 N/A LYS 191.A N ASN 188.A OD1 no hydrogen 3.109 N/A LYS 191.A NZ GLU 85.A OE1 no hydrogen 2.822 N/A LYS 191.A NZ GLU 194.A OE1 no hydrogen 2.868 N/A VAL 192.A N ASN 188.A O no hydrogen 3.053 N/A ALA 193.A N TRP 189.A O no hydrogen 2.893 N/A GLU 194.A N ASN 190.A O no hydrogen 3.206 N/A LEU 195.A N LYS 191.A O no hydrogen 2.941 N/A TYR 196.A N VAL 192.A O no hydrogen 2.877 N/A ALA 197.A N ALA 193.A O no hydrogen 2.992 N/A GLU 198.A N GLU 194.A O no hydrogen 3.029 N/A ALA 199.A N LEU 195.A O no hydrogen 2.920 N/A LEU 200.A N ALA 197.A O no hydrogen 3.171 N/A GLU 201.A N GLU 198.A O no hydrogen 3.218 N/A