Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ayi_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N GLN 36.A OE1 no hydrogen 3.075 N/A LEU 5.A N ALA 2.A O no hydrogen 3.155 N/A THR 6.A N ALA 2.A O no hydrogen 3.172 N/A THR 6.A N ASP 3.A O no hydrogen 3.186 N/A THR 6.A OG1 ALA 2.A O no hydrogen 3.132 N/A ALA 7.A N ASP 3.A O no hydrogen 2.767 N/A ASP 13.A N ASP 10.A O no hydrogen 3.217 N/A LEU 16.A N GLN 89.A O no hydrogen 2.975 N/A LYS 17.A NZ HIS 11.A O no hydrogen 3.218 N/A SER 18.A OG SER 50.A OG no hydrogen 2.743 N/A LEU 19.A N LEU 51.A O no hydrogen 3.029 N/A SER 24.A N LEU 21.A O no hydrogen 2.831 N/A SER 24.A OG SER 120.A OG no hydrogen 2.748 N/A ILE 25.A N GLU 22.A O no hydrogen 3.325 N/A GLY 29.A N PRO 26.A O no hydrogen 3.161 N/A THR 30.A N LYS 69.A O no hydrogen 2.904 N/A LEU 31.A N PHE 42.A O no hydrogen 2.841 N/A THR 32.A N VAL 67.A O no hydrogen 2.895 N/A THR 32.A OG1 THR 41.A OG1 no hydrogen 2.928 N/A LEU 33.A N LYS 40.A O no hydrogen 2.929 N/A SER 34.A N ASP 65.A O no hydrogen 2.892 N/A ALA 35.A N ALA 38.A O no hydrogen 3.324 N/A ALA 38.A N ALA 35.A O no hydrogen 3.126 N/A LYS 40.A N LEU 33.A O no hydrogen 3.158 N/A LYS 40.A NZ ASN 49C.A OD1 no hydrogen 2.739 N/A THR 41.A OG1 THR 32.A OG1 no hydrogen 2.928 N/A THR 41.A OG1 GLU 39.A OE2 no hydrogen 2.702 N/A PHE 42.A N LEU 31.A O no hydrogen 2.638 N/A LYS 43.A NZ ASN 28.A O no hydrogen 3.310 N/A LYS 43.A NZ ASN 28.A OD1 no hydrogen 2.865 N/A ALA 44.A N GLY 29.A O no hydrogen 3.304 N/A SER 50.A OG SER 18.A OG no hydrogen 2.743 N/A LEU 51.A N LEU 19.A O no hydrogen 2.789 N/A ASN 52.A N ALA 4.A O no hydrogen 3.241 N/A ASN 52.A ND2 ALA 7.A O no hydrogen 2.858 N/A ASN 52.A ND2 PRO 8.A O no hydrogen 3.156 N/A THR 53.A N LEU 51.A O no hydrogen 2.928 N/A THR 53.A OG1 LEU 16.A O no hydrogen 2.933 N/A GLY 54.A N LYS 17.A O no hydrogen 2.994 N/A LYS 55.A N ASN 52.A O no hydrogen 3.351 N/A LYS 55.A NZ ASP 10.A OD1 no hydrogen 3.033 N/A LYS 55.A NZ ASP 13.A OD1 no hydrogen 3.541 N/A LYS 55.A NZ ASP 13.A OD2 no hydrogen 2.826 N/A LEU 56.A N THR 53.A O no hydrogen 2.912 N/A ASN 58.A ND2 GLY 15.A O no hydrogen 2.991 N/A ASP 59.A N LYS 88.A O no hydrogen 2.777 N/A SER 62.A N ILE 86.A O no hydrogen 2.771 N/A ARG 63.A NH1 GLU 83.A OE1 no hydrogen 2.823 N/A PHE 64.A N PHE 84.A O no hydrogen 3.076 N/A ASP 65.A N SER 34.A O no hydrogen 2.819 N/A PHE 66.A N GLY 82.A O no hydrogen 2.763 N/A VAL 67.A N THR 32.A O no hydrogen 3.051 N/A GLN 68.A N ALA 80.A O no hydrogen 2.824 N/A GLN 68.A NE2 SER 24.A O no hydrogen 2.779 N/A LYS 69.A N THR 30.A O no hydrogen 2.829 N/A ILE 70.A N ILE 77.A O no hydrogen 2.886 N/A VAL 72.A N GLN 75.A O no hydrogen 2.751 N/A ILE 77.A N ILE 70.A O no hydrogen 2.898 N/A LEU 79.A N GLN 68.A O no hydrogen 2.662 N/A ALA 80.A N GLN 68.A O no hydrogen 3.313 N/A SER 81.A N LYS 101.A O no hydrogen 2.785 N/A GLY 82.A N PHE 66.A O no hydrogen 3.121 N/A GLU 83.A N GLN 98.A O no hydrogen 2.894 N/A PHE 84.A N PHE 64.A O no hydrogen 2.790 N/A GLN 85.A N ALA 96.A O no hydrogen 2.765 N/A GLN 85.A NE2 GLU 83.A OE1 no hydrogen 2.991 N/A ILE 86.A N SER 62.A O no hydrogen 2.994 N/A TYR 87.A N VAL 94.A O no hydrogen 3.000 N/A LYS 88.A N LYS 60.A O no hydrogen 3.437 N/A LYS 88.A NZ LYS 14.A O no hydrogen 2.743 N/A LYS 88.A NZ THR 53.A O no hydrogen 2.784 N/A LYS 88.A NZ LEU 56.A O no hydrogen 2.788 N/A LYS 88.A NZ ASN 58.A OD1 no hydrogen 3.140 N/A GLN 89.A N SER 92.A O no hydrogen 2.881 N/A GLN 89.A NE2 SER 92.A OG no hydrogen 2.900 N/A GLN 89.A NE2 ILE 221.A O no hydrogen 3.232 N/A GLN 89.A NE2 GLY 240.A O no hydrogen 2.891 N/A ASN 90.A N GLU 220.A OE2 no hydrogen 2.903 N/A HIS 91.A N GLU 220.A OE1 no hydrogen 2.769 N/A HIS 91.A ND1 GLU 125.A OE1 no hydrogen 3.079 N/A SER 92.A OG GLU 220.A OE1 no hydrogen 2.888 N/A ALA 93.A N GLY 123.A O no hydrogen 2.856 N/A VAL 94.A N TYR 87.A O no hydrogen 3.051 N/A VAL 95.A N GLY 121.A O no hydrogen 2.870 N/A ALA 96.A N GLN 85.A O no hydrogen 2.893 N/A LEU 97.A N LEU 118.A O no hydrogen 2.719 N/A GLN 98.A N GLU 83.A O no hydrogen 2.822 N/A GLN 98.A NE2 ILE 99.A O no hydrogen 3.452 N/A ILE 99.A N SER 116.A O no hydrogen 2.723 N/A GLU 100.A N SER 81.A O no hydrogen 2.909 N/A LYS 101.A N SER 81.A O no hydrogen 2.980 N/A LYS 101.A NZ ASN 113.A OD1 no hydrogen 3.308 N/A ILE 102.A N ILE 112.A O no hydrogen 2.992 N/A ASN 103.A N LEU 79.A O no hydrogen 2.969 N/A ASN 103.A ND2 THR 78.A O no hydrogen 2.818 N/A ASN 103.A ND2 THR 108.A O no hydrogen 2.699 N/A ASN 104.A N SER 110.A O no hydrogen 3.155 N/A ASP 106.A N ASN 104.A OD1 no hydrogen 3.427 N/A SER 110.A N LYS 107.A O no hydrogen 2.817 N/A SER 110.A OG LYS 107.A O no hydrogen 2.786 N/A ILE 112.A N ILE 102.A O no hydrogen 2.946 N/A GLN 114.A N GLU 100.A O no hydrogen 3.072 N/A ARG 115.A NE GLU 100.A OE2 no hydrogen 2.513 N/A ARG 115.A NH1 ASP 147.A OD2 no hydrogen 3.093 N/A ARG 115.A NH2 GLU 100.A OE2 no hydrogen 3.304 N/A ARG 115.A NH2 ASP 147.A OD1 no hydrogen 2.792 N/A ARG 115.A NH2 ASP 147.A OD2 no hydrogen 3.231 N/A SER 116.A N ILE 99.A O no hydrogen 3.122 N/A LEU 118.A N LEU 97.A O no hydrogen 3.028 N/A VAL 119.A N GLU 235.A OE2 no hydrogen 2.999 N/A SER 120.A N VAL 95.A O no hydrogen 3.017 N/A SER 120.A OG SER 24.A OG no hydrogen 2.748 N/A GLY 121.A N VAL 95.A O no hydrogen 3.415 N/A GLY 123.A N ALA 93.A O no hydrogen 3.140 N/A GLU 125.A N HIS 91.A O no hydrogen 3.130 N/A THR 127.A N LEU 213.A O no hydrogen 2.803 N/A THR 127.A OG1 GLY 215.A O no hydrogen 2.707 N/A ALA 128.A N GLN 131.A OE1 no hydrogen 3.003 N/A PHE 129.A N SER 191.A O no hydrogen 2.851 N/A GLN 131.A N ALA 128.A O no hydrogen 2.932 N/A GLY 135.A N THR 160.A OG1 no hydrogen 3.217 N/A ALA 137.A N ILE 157.A O no hydrogen 3.007 N/A TYR 139.A N TYR 155.A O no hydrogen 2.737 N/A TYR 139.A OH ALA 218.A O no hydrogen 2.586 N/A HIS 140.A N LYS 241.A O no hydrogen 2.912 N/A HIS 140.A ND1 HIS 154.A ND1 no hydrogen 2.802 N/A HIS 140.A NE2 GLU 138.A OE2 no hydrogen 2.435 N/A GLY 141.A N LEU 153.A O no hydrogen 3.035 N/A LYS 142.A NZ PRO 149.A O no hydrogen 2.773 N/A ALA 143.A N GLY 151.A O no hydrogen 3.149 N/A PHE 144.A N GLY 237.A O no hydrogen 2.827 N/A SER 145.A N ASP 148.A O no hydrogen 2.888 N/A SER 145.A OG GLU 235.A O no hydrogen 2.767 N/A SER 146.A N SER 145.A OG no hydrogen 2.786 N/A SER 146.A OG GLN 98.A OE1 no hydrogen 2.652 N/A ASP 148.A N SER 145.A O no hydrogen 3.115 N/A ARG 152.A N GLU 169.A O no hydrogen 2.685 N/A ARG 152.A NE GLU 169.A OE1 no hydrogen 3.516 N/A LEU 153.A N GLY 141.A O no hydrogen 2.804 N/A HIS 154.A N ARG 167.A O no hydrogen 2.966 N/A HIS 154.A ND1 HIS 140.A ND1 no hydrogen 2.802 N/A TYR 155.A N TYR 139.A O no hydrogen 2.934 N/A TYR 155.A OH TYR 209.A OH no hydrogen 2.544 N/A SER 156.A N TYR 165.A O no hydrogen 2.782 N/A ILE 157.A N ALA 137.A O no hydrogen 2.917 N/A ASP 158.A N GLN 163.A O no hydrogen 2.626 N/A PHE 159.A N GLY 135.A O no hydrogen 2.790 N/A LYS 161.A N ASP 158.A OD1 no hydrogen 3.077 N/A LYS 162.A N PHE 159.A O no hydrogen 3.275 N/A LYS 162.A NZ PHE 159.A O no hydrogen 3.464 N/A GLN 163.A N ASP 158.A O no hydrogen 2.975 N/A GLY 164.A N ALA 183.A O no hydrogen 3.018 N/A TYR 165.A N SER 156.A O no hydrogen 2.909 N/A GLY 166.A N LEU 180.A O no hydrogen 2.842 N/A ARG 167.A N HIS 154.A O no hydrogen 2.808 N/A ILE 168.A N VAL 178.A O no hydrogen 2.774 N/A GLU 169.A N ARG 152.A O no hydrogen 2.898 N/A LYS 172.A N ASP 148.A OD1 no hydrogen 2.924 N/A THR 173.A N ASP 148.A OD2 no hydrogen 2.762 N/A THR 173.A OG1 ASP 148.A OD2 no hydrogen 2.811 N/A LEU 174.A N LEU 171.A O no hydrogen 3.110 N/A VAL 178.A N ILE 168.A O no hydrogen 2.821 N/A GLU 179.A N ARG 200.A O no hydrogen 2.869 N/A LEU 180.A N GLY 166.A O no hydrogen 2.718 N/A ALA 181.A N ASP 198.A O no hydrogen 2.965 N/A ALA 183.A N GLY 164.A O no hydrogen 2.834 N/A LEU 185.A N LYS 162.A O no hydrogen 2.936 N/A LYS 186.A N VAL 194.A O no hydrogen 2.844 N/A ASP 188.A N HIS 192.A O no hydrogen 2.936 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 3.070 N/A LYS 190.A N ASP 188.A OD1 no hydrogen 2.935 N/A SER 191.A N ASP 188.A O no hydrogen 3.070 N/A HIS 192.A N ASP 188.A OD1 no hydrogen 3.033 N/A ALA 193.A N THR 127.A O no hydrogen 2.843 N/A VAL 194.A N LYS 186.A O no hydrogen 2.938 N/A ILE 195.A N LEU 211.A O no hydrogen 2.880 N/A GLY 197.A N TYR 209.A O no hydrogen 2.908 N/A THR 199.A N GLY 207.A O no hydrogen 3.021 N/A THR 199.A OG1 THR 226.A O no hydrogen 2.635 N/A ARG 200.A N GLU 179.A O no hydrogen 2.850 N/A TYR 201.A N GLU 204.A O no hydrogen 2.818 N/A GLU 204.A N TYR 201.A O no hydrogen 3.230 N/A LYS 206.A N THR 199.A O no hydrogen 2.960 N/A LYS 206.A NZ LYS 228.A O no hydrogen 3.197 N/A THR 208.A N THR 226.A OG1 no hydrogen 3.407 N/A TYR 209.A N GLY 197.A O no hydrogen 2.964 N/A TYR 209.A OH TYR 155.A OH no hydrogen 2.544 N/A TYR 209.A OH ALA 181.A O no hydrogen 2.795 N/A HIS 210.A N SER 224.A O no hydrogen 3.006 N/A LEU 211.A N ILE 195.A O no hydrogen 2.843 N/A ALA 212.A N ALA 222.A O no hydrogen 2.899 N/A LEU 213.A N ALA 193.A O no hydrogen 3.066 N/A PHE 214.A N GLU 220.A O no hydrogen 2.723 N/A GLY 215.A N GLU 125.A O no hydrogen 2.755 N/A ARG 217.A N GLN 219.A OE1 no hydrogen 2.816 N/A ALA 218.A N GLY 215.A O no hydrogen 3.020 N/A GLN 219.A N GLN 219.A OE1 no hydrogen 2.821 N/A GLN 219.A NE2 ASP 216.A OD1 no hydrogen 3.197 N/A GLU 220.A N PHE 214.A O no hydrogen 2.949 N/A ILE 221.A N GLY 240.A O no hydrogen 3.116 N/A ALA 222.A N ALA 212.A O no hydrogen 3.129 N/A GLY 223.A N ILE 238.A O no hydrogen 2.787 N/A SER 224.A N HIS 210.A O no hydrogen 3.080 N/A ALA 225.A N ILE 236.A O no hydrogen 2.810 N/A THR 226.A N THR 208.A O no hydrogen 2.883 N/A THR 226.A OG1 THR 208.A O no hydrogen 3.331 N/A VAL 227.A N HIS 234.A O no hydrogen 2.984 N/A LYS 228.A N LYS 206.A O no hydrogen 2.832 N/A ILE 229.A N LYS 232.A O no hydrogen 2.923 N/A LYS 232.A N ILE 229.A O no hydrogen 3.084 N/A HIS 234.A N VAL 227.A O no hydrogen 2.724 N/A ILE 236.A N ALA 225.A O no hydrogen 2.732 N/A GLY 237.A N PHE 144.A O no hydrogen 2.724 N/A ILE 238.A N GLY 223.A O no hydrogen 3.059 N/A ALA 239.A N LYS 142.A O no hydrogen 2.963 N/A GLY 240.A N ILE 221.A O no hydrogen 2.967 N/A LYS 241.A N HIS 140.A O no hydrogen 3.032 N/A LYS 241.A NZ ASP 59.A OD1 no hydrogen 3.089 N/A LYS 241.A NZ ASP 59.A OD2 no hydrogen 2.969 N/A GLN 242.A N GLN 219.A O no hydrogen 2.922 N/A GLN 242.A NE2 ALA 218.A O no hydrogen 2.974 N/A ASN 49C.A ND2 THR 41.A O no hydrogen 3.138 N/A