Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ai2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N ASP 2.A OD1 no hydrogen 2.915 N/A GLY 7.A N GLY 31.A O no hydrogen 2.835 N/A LYS 8.A N ILE 5.A O no hydrogen 2.999 N/A LYS 8.A NZ GLY 4.A O no hydrogen 3.203 N/A LYS 8.A NZ GLU 243.A OE2 no hydrogen 3.160 N/A VAL 9.A N ASP 87.A OD2 no hydrogen 2.768 N/A ALA 10.A N HIS 33.A O no hydrogen 2.867 N/A VAL 11.A N ILE 88.A O no hydrogen 2.767 N/A ILE 12.A N VAL 35.A O no hydrogen 3.005 N/A THR 13.A N VAL 90.A O no hydrogen 2.992 N/A THR 13.A OG1 VAL 90.A O no hydrogen 3.567 N/A SER 15.A N VAL 37.A O no hydrogen 3.125 N/A SER 15.A OG ILE 12.A O no hydrogen 2.675 N/A LEU 21.A N SER 17.A O no hydrogen 3.233 N/A ALA 22.A N GLY 18.A O no hydrogen 3.171 N/A ILE 23.A N ILE 19.A O no hydrogen 2.859 N/A ALA 24.A N GLY 20.A O no hydrogen 3.000 N/A GLU 25.A N LEU 21.A O no hydrogen 2.842 N/A GLY 26.A N ALA 22.A O no hydrogen 2.926 N/A PHE 27.A N ILE 23.A O no hydrogen 3.009 N/A ALA 28.A N ALA 24.A O no hydrogen 2.929 N/A LYS 29.A N GLU 25.A O no hydrogen 2.885 N/A GLU 30.A N PHE 27.A O no hydrogen 2.980 N/A GLY 31.A N ALA 28.A O no hydrogen 2.944 N/A ALA 32.A N PHE 27.A O no hydrogen 3.017 N/A HIS 33.A N LYS 8.A O no hydrogen 2.795 N/A ILE 34.A N ARG 58.A O no hydrogen 2.915 N/A VAL 35.A N ALA 10.A O no hydrogen 2.793 N/A LEU 36.A N LEU 60.A O no hydrogen 2.782 N/A VAL 37.A N SER 15.A OG no hydrogen 3.016 N/A ALA 38.A N VAL 62.A O no hydrogen 3.289 N/A ARG 43.A N ASP 42.A OD1 no hydrogen 2.366 N/A LEU 44.A N GLN 40.A O no hydrogen 3.248 N/A HIS 45.A N VAL 41.A O no hydrogen 2.946 N/A GLU 46.A N ASP 42.A O no hydrogen 2.968 N/A ALA 47.A N ARG 43.A O no hydrogen 3.089 N/A ALA 48.A N LEU 44.A O no hydrogen 3.094 N/A ARG 49.A N HIS 45.A O no hydrogen 3.043 N/A SER 50.A N GLU 46.A O no hydrogen 3.011 N/A LEU 51.A N ALA 47.A O no hydrogen 2.952 N/A LYS 52.A N ALA 48.A O no hydrogen 2.873 N/A GLU 53.A N ARG 49.A O no hydrogen 2.896 N/A LYS 54.A N SER 50.A O no hydrogen 2.853 N/A PHE 55.A N LEU 51.A O no hydrogen 2.826 N/A GLY 56.A N LYS 52.A O no hydrogen 2.753 N/A ARG 58.A N HIS 33.A ND1 no hydrogen 3.100 N/A ARG 58.A NH2 SER 82.A O no hydrogen 3.034 N/A LEU 60.A N ILE 34.A O no hydrogen 2.882 N/A VAL 62.A N LEU 36.A O no hydrogen 2.810 N/A ALA 67.A N ASP 65.A OD1 no hydrogen 3.037 N/A THR 68.A N ASP 65.A O no hydrogen 3.209 N/A THR 68.A OG1 ASP 65.A O no hydrogen 2.954 N/A GLU 70.A N GLU 70.A OE1 no hydrogen 2.796 N/A GLY 71.A N THR 68.A OG1 no hydrogen 2.924 N/A VAL 72.A N THR 68.A O no hydrogen 3.009 N/A ASP 73.A N PRO 69.A O no hydrogen 2.881 N/A ALA 74.A N GLU 70.A O no hydrogen 2.920 N/A VAL 75.A N GLY 71.A O no hydrogen 3.143 N/A VAL 76.A N VAL 72.A O no hydrogen 3.038 N/A GLU 77.A N ASP 73.A O no hydrogen 2.910 N/A SER 78.A N ALA 74.A O no hydrogen 2.834 N/A VAL 79.A N VAL 75.A O no hydrogen 2.967 N/A ARG 80.A N VAL 76.A O no hydrogen 2.992 N/A SER 81.A N GLU 77.A O no hydrogen 2.956 N/A SER 81.A OG GLU 77.A O no hydrogen 2.893 N/A SER 82.A N SER 78.A O no hydrogen 3.041 N/A PHE 83.A N VAL 79.A O no hydrogen 2.871 N/A GLY 84.A N ARG 80.A O no hydrogen 2.963 N/A ASP 87.A N VAL 9.A O no hydrogen 2.921 N/A ILE 88.A N VAL 9.A O no hydrogen 3.003 N/A LEU 89.A N ALA 138.A O no hydrogen 2.952 N/A VAL 90.A N VAL 11.A O no hydrogen 2.770 N/A ASN 91.A N ILE 140.A O no hydrogen 2.817 N/A ASN 92.A N THR 13.A OG1 no hydrogen 2.754 N/A ASN 92.A ND2 ASN 142.A OD1 no hydrogen 2.848 N/A ALA 93.A N THR 13.A OG1 no hydrogen 2.901 N/A THR 95.A N HIS 116.A NE2 no hydrogen 3.125 N/A SER 97.A N GLU 154.A OE1 no hydrogen 3.115 N/A SER 97.A OG GLU 99.A OE1 no hydrogen 3.285 N/A SER 97.A OG GLU 99.A OE2 no hydrogen 2.502 N/A ASN 98.A N GLU 99.A OE1 no hydrogen 2.899 N/A GLU 99.A N TYR 153.A O no hydrogen 3.139 N/A GLU 103.A N THR 100.A O no hydrogen 3.279 N/A GLU 103.A N THR 100.A OG1 no hydrogen 3.210 N/A ALA 104.A N THR 100.A O no hydrogen 2.952 N/A LYS 108.A N ALA 105.A O no hydrogen 2.977 N/A LYS 108.A NZ GLU 99.A OE1 no hydrogen 2.683 N/A TRP 109.A N ALA 105.A O no hydrogen 3.378 N/A GLN 110.A N ASP 106.A O no hydrogen 2.983 N/A GLN 110.A NE2 GLU 114.A OE2 no hydrogen 2.722 N/A PHE 111.A N GLU 107.A O no hydrogen 2.930 N/A TYR 112.A N LYS 108.A O no hydrogen 3.260 N/A TYR 112.A OH GLY 96.A O no hydrogen 2.868 N/A TRP 113.A N TRP 109.A O no hydrogen 3.072 N/A GLU 114.A N GLN 110.A O no hydrogen 2.926 N/A LEU 115.A N PHE 111.A O no hydrogen 3.037 N/A HIS 116.A N TYR 112.A O no hydrogen 2.770 N/A HIS 116.A ND1 THR 160.A OG1 no hydrogen 2.987 N/A VAL 117.A N TRP 113.A O no hydrogen 3.017 N/A MET 118.A N TRP 113.A O no hydrogen 2.929 N/A ALA 119.A N GLU 114.A O no hydrogen 2.941 N/A VAL 121.A N VAL 117.A O no hydrogen 3.090 N/A ARG 122.A N MET 118.A O no hydrogen 2.951 N/A ARG 122.A NH1 GLU 114.A OE1 no hydrogen 2.833 N/A ARG 122.A NH2 GLU 114.A OE1 no hydrogen 2.927 N/A LEU 123.A N ALA 119.A O no hydrogen 2.838 N/A ALA 124.A N ALA 120.A O no hydrogen 2.976 N/A ARG 125.A N VAL 121.A O no hydrogen 2.960 N/A GLY 126.A N ARG 122.A O no hydrogen 2.873 N/A LEU 127.A N LEU 123.A O no hydrogen 2.937 N/A VAL 128.A N ALA 124.A O no hydrogen 2.972 N/A MET 131.A N LEU 127.A O no hydrogen 3.106 N/A ARG 132.A N VAL 128.A O no hydrogen 2.769 N/A ARG 132.A NH1 ASP 178.A OD1 no hydrogen 2.411 N/A ALA 133.A N PRO 129.A O no hydrogen 2.983 N/A ARG 134.A N GLY 130.A O no hydrogen 2.964 N/A ARG 134.A N MET 131.A O no hydrogen 3.077 N/A ARG 134.A NE ASP 87.A OD1 no hydrogen 2.897 N/A ARG 134.A NH2 ASP 87.A OD1 no hydrogen 3.536 N/A ARG 134.A NH2 ASP 87.A OD2 no hydrogen 2.817 N/A GLY 135.A N ARG 132.A O no hydrogen 2.927 N/A GLY 136.A N MET 131.A O no hydrogen 2.916 N/A GLY 137.A N ASN 179.A O no hydrogen 3.068 N/A ALA 138.A N ASP 87.A O no hydrogen 3.086 N/A ILE 139.A N ARG 181.A O no hydrogen 2.884 N/A ILE 140.A N LEU 89.A O no hydrogen 2.780 N/A HIS 141.A N ASN 183.A O no hydrogen 2.916 N/A HIS 141.A ND1 SER 168.A OG no hydrogen 2.881 N/A ASN 142.A N ASN 91.A O no hydrogen 2.982 N/A ALA 143.A N ILE 185.A O no hydrogen 2.985 N/A SER 144.A N ASN 186.A OD1 no hydrogen 3.042 N/A ILE 145.A N PRO 187.A O no hydrogen 2.921 N/A CYS 146.A N SER 144.A OG no hydrogen 2.892 N/A CYS 146.A SG GLU 154.A OE2 no hydrogen 3.635 N/A ALA 147.A N SER 144.A O no hydrogen 2.978 N/A VAL 148.A N ILE 145.A O no hydrogen 3.026 N/A GLN 149.A N ILE 145.A O no hydrogen 2.902 N/A GLN 149.A NE2 MET 259.A O no hydrogen 3.144 N/A LEU 151.A N ASN 158.A OD1 no hydrogen 3.244 N/A GLU 154.A N LEU 151.A O no hydrogen 3.283 N/A ILE 156.A N GLU 99.A OE2 no hydrogen 3.019 N/A TYR 157.A N SER 97.A OG no hydrogen 3.087 N/A ASN 158.A N GLU 154.A O no hydrogen 2.891 N/A ASN 158.A ND2 LEU 151.A O no hydrogen 3.005 N/A VAL 159.A N PRO 155.A O no hydrogen 2.942 N/A THR 160.A N ILE 156.A O no hydrogen 2.891 N/A THR 160.A OG1 HIS 116.A ND1 no hydrogen 2.987 N/A THR 160.A OG1 ILE 156.A O no hydrogen 2.712 N/A THR 160.A OG1 TYR 157.A O no hydrogen 3.448 N/A LYS 161.A N TYR 157.A O no hydrogen 2.874 N/A LYS 161.A NZ ASN 142.A O no hydrogen 3.048 N/A LYS 161.A NZ ALA 143.A O no hydrogen 3.290 N/A ALA 162.A N ASN 158.A O no hydrogen 2.827 N/A ALA 163.A N VAL 159.A O no hydrogen 2.929 N/A LEU 164.A N THR 160.A O no hydrogen 2.885 N/A MET 165.A N LYS 161.A O no hydrogen 2.867 N/A MET 166.A N ALA 162.A O no hydrogen 3.078 N/A PHE 167.A N ALA 163.A O no hydrogen 2.816 N/A SER 168.A N LEU 164.A O no hydrogen 2.953 N/A SER 168.A OG HIS 141.A ND1 no hydrogen 2.881 N/A LYS 169.A N MET 165.A O no hydrogen 3.277 N/A LYS 169.A NZ GLY 250.A O no hydrogen 2.890 N/A THR 170.A N MET 166.A O no hydrogen 2.923 N/A THR 170.A OG1 PHE 167.A O no hydrogen 2.906 N/A LEU 171.A N PHE 167.A O no hydrogen 2.839 N/A ALA 172.A N SER 168.A O no hydrogen 2.905 N/A THR 173.A N LYS 169.A O no hydrogen 3.297 N/A THR 173.A OG1 THR 170.A O no hydrogen 3.161 N/A GLU 174.A N THR 170.A O no hydrogen 3.213 N/A VAL 175.A N LEU 171.A O no hydrogen 2.813 N/A ILE 176.A N ALA 172.A O no hydrogen 3.177 N/A LYS 177.A NZ ASP 178.A OD1 no hydrogen 2.896 N/A ASP 178.A N VAL 175.A O no hydrogen 2.746 N/A ASN 179.A N ILE 176.A O no hydrogen 2.876 N/A ASN 179.A ND2 GLY 135.A O no hydrogen 2.892 N/A ILE 180.A N VAL 175.A O no hydrogen 3.366 N/A ARG 181.A N GLY 137.A O no hydrogen 2.963 N/A ARG 181.A NH1 LEU 240.A O no hydrogen 3.193 N/A ARG 181.A NH1 SER 248.A O no hydrogen 3.346 N/A ARG 181.A NH2 LEU 240.A O no hydrogen 2.926 N/A ASN 183.A N ILE 139.A O no hydrogen 3.016 N/A ASN 183.A ND2 SER 248.A O no hydrogen 2.964 N/A CYS 184.A N SER 251.A O no hydrogen 2.910 N/A CYS 184.A SG HIS 141.A O no hydrogen 3.649 N/A CYS 184.A SG ASN 186.A OD1 no hydrogen 3.278 N/A ILE 185.A N HIS 141.A O no hydrogen 2.837 N/A ASN 186.A N TYR 253.A O no hydrogen 2.856 N/A GLY 188.A N VAL 255.A O no hydrogen 2.925 N/A LEU 191.A N ALA 228.A O no hydrogen 2.729 N/A TRP 195.A N THR 192.A O no hydrogen 2.962 N/A ILE 196.A N THR 192.A O no hydrogen 3.420 N/A LYS 197.A N PRO 193.A O no hydrogen 2.957 N/A THR 198.A N ASP 194.A O no hydrogen 2.858 N/A THR 198.A OG1 ASP 194.A O no hydrogen 2.935 N/A ALA 199.A N TRP 195.A O no hydrogen 2.822 N/A LYS 200.A N ILE 196.A O no hydrogen 2.932 N/A GLU 201.A N LYS 197.A O no hydrogen 2.909 N/A LEU 202.A N THR 198.A O no hydrogen 2.847 N/A THR 203.A N ALA 199.A O no hydrogen 3.165 N/A THR 203.A N LYS 200.A O no hydrogen 3.273 N/A THR 203.A OG1 ALA 199.A O no hydrogen 2.825 N/A THR 203.A OG1 LYS 200.A O no hydrogen 3.500 N/A LYS 204.A N GLU 201.A O no hydrogen 3.433 N/A LYS 204.A NZ GLU 201.A OE2 no hydrogen 3.031 N/A ASN 206.A N THR 203.A O no hydrogen 3.190 N/A GLY 208.A N THR 203.A O no hydrogen 2.650 N/A TRP 210.A N GLY 208.A O no hydrogen 2.864 N/A GLY 212.A N ASP 209.A OD1 no hydrogen 2.973 N/A TYR 213.A N ASP 209.A O no hydrogen 3.011 N/A LEU 214.A N TRP 210.A O no hydrogen 2.929 N/A GLN 215.A N LYS 211.A O no hydrogen 2.835 N/A GLN 215.A NE2 ASP 219.A OD1 no hydrogen 2.916 N/A GLN 215.A NE2 LYS 225.A O no hydrogen 2.720 N/A SER 216.A N GLY 212.A O no hydrogen 2.974 N/A SER 216.A OG TYR 213.A O no hydrogen 2.654 N/A VAL 217.A N TYR 213.A O no hydrogen 3.052 N/A ALA 218.A N LEU 214.A O no hydrogen 3.020 N/A ASP 219.A N GLN 215.A O no hydrogen 2.812 N/A GLU 220.A N SER 216.A O no hydrogen 2.883 N/A HIS 221.A N VAL 217.A O no hydrogen 2.954 N/A HIS 221.A N ALA 218.A O no hydrogen 3.256 N/A ALA 222.A N ALA 218.A O no hydrogen 2.822 N/A ILE 224.A N GLY 257.A O no hydrogen 3.077 N/A LYS 225.A N ALA 222.A O no hydrogen 2.842 N/A ARG 226.A NH1 PHE 227.A O no hydrogen 3.116 N/A ARG 226.A NH1 GLU 232.A OE2 no hydrogen 2.860 N/A ARG 226.A NH2 GLU 232.A OE1 no hydrogen 2.908 N/A ALA 228.A N LEU 189.A O no hydrogen 2.944 N/A SER 229.A N GLU 232.A OE2 no hydrogen 3.042 N/A SER 229.A OG GLU 232.A OE2 no hydrogen 3.489 N/A GLU 232.A N SER 229.A OG no hydrogen 2.978 N/A LEU 233.A N SER 229.A O no hydrogen 3.276 N/A ALA 234.A N PRO 230.A O no hydrogen 2.911 N/A ASN 235.A N GLU 231.A O no hydrogen 3.299 N/A PHE 236.A N LEU 233.A O no hydrogen 2.997 N/A VAL 238.A N ALA 234.A O no hydrogen 2.982 N/A PHE 239.A N ASN 235.A O no hydrogen 2.925 N/A LEU 240.A N PHE 236.A O no hydrogen 2.986 N/A CYS 241.A N PHE 237.A O no hydrogen 3.066 N/A CYS 241.A N VAL 238.A O no hydrogen 3.169 N/A CYS 241.A SG PHE 237.A O no hydrogen 3.438 N/A SER 242.A N PHE 239.A O no hydrogen 2.956 N/A SER 242.A OG PHE 239.A O no hydrogen 2.665 N/A GLU 243.A N MET 3.A O no hydrogen 2.877 N/A ARG 244.A N SER 242.A OG no hydrogen 2.952 N/A ARG 244.A NH1 ASP 2.A O no hydrogen 2.703 N/A ALA 245.A N SER 242.A O no hydrogen 3.295 N/A SER 248.A N ALA 245.A O no hydrogen 3.181 N/A SER 248.A OG TYR 253.A OH no hydrogen 2.836 N/A GLY 250.A N VAL 182.A O no hydrogen 2.789 N/A SER 251.A N ASN 183.A OD1 no hydrogen 3.064 N/A TYR 253.A N CYS 184.A O no hydrogen 2.864 N/A TYR 253.A OH SER 248.A OG no hydrogen 2.836 N/A VAL 255.A N ASN 186.A O no hydrogen 2.981 N/A GLY 258.A N ASP 256.A OD1 no hydrogen 2.893 N/A MET 259.A N ASP 256.A O no hydrogen 2.996 N/A LYS 261.A N GLN 149.A OE1 no hydrogen 2.739 N/A LYS 261.A NZ HIS 221.A O no hydrogen 2.840 N/A LYS 261.A NZ MET 259.A O no hydrogen 2.731 N/A