Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ne3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N ALA 1.A O no hydrogen 2.854 N/A ALA 6.A N PRO 2.A O no hydrogen 2.886 N/A ILE 7.A N THR 3.A O no hydrogen 2.933 N/A THR 8.A N ASP 4.A O no hydrogen 3.008 N/A THR 8.A OG1 ASP 4.A O no hydrogen 3.109 N/A ALA 9.A N ALA 5.A O no hydrogen 2.945 N/A ALA 10.A N ILE 7.A O no hydrogen 3.186 N/A ALA 15.A N ASP 12.A OD1 no hydrogen 2.833 N/A LEU 16.A N ASP 12.A O no hydrogen 2.982 N/A GLU 17.A N PHE 13.A O no hydrogen 2.892 N/A LYS 18.A N ALA 14.A O no hydrogen 3.077 N/A ALA 19.A N ALA 15.A O no hydrogen 2.888 N/A CYS 20.A N LEU 16.A O no hydrogen 3.369 N/A CYS 20.A SG LEU 16.A O no hydrogen 3.611 N/A CYS 20.A SG GLU 17.A O no hydrogen 3.522 N/A ALA 21.A N LYS 18.A O no hydrogen 3.077 N/A GLY 22.A N GLU 17.A O no hydrogen 3.149 N/A ARG 23.A N GLN 244.A O no hydrogen 2.823 N/A ARG 23.A NE GLN 244.A OE1 no hydrogen 3.427 N/A ARG 23.A NH1 GLU 43.A OE1 no hydrogen 2.845 N/A ARG 23.A NH1 ARG 44.A O no hydrogen 3.124 N/A ARG 23.A NH2 ARG 44.A O no hydrogen 2.866 N/A ARG 23.A NH2 GLN 244.A OE1 no hydrogen 2.806 N/A LEU 24.A N GLU 17.A OE1 no hydrogen 2.817 N/A GLY 25.A N TYR 242.A O no hydrogen 2.760 N/A VAL 26.A N HIS 39.A O no hydrogen 2.861 N/A THR 27.A N THR 240.A O no hydrogen 3.051 N/A THR 27.A OG1 GLN 41.A OE1 no hydrogen 2.766 N/A LEU 28.A N ILE 37.A O no hydrogen 2.767 N/A LEU 29.A N VAL 238.A O no hydrogen 2.765 N/A ASP 30.A N ARG 35.A O no hydrogen 2.938 N/A THR 31.A N PRO 236.A O no hydrogen 3.252 N/A THR 31.A OG1 PRO 236.A O no hydrogen 2.687 N/A ALA 32.A N ASP 30.A OD1 no hydrogen 3.001 N/A SER 33.A N ASP 30.A O no hydrogen 3.330 N/A SER 33.A OG ASP 30.A OD2 no hydrogen 2.934 N/A GLY 34.A N ASP 30.A O no hydrogen 2.770 N/A ARG 35.A N SER 33.A OG no hydrogen 2.955 N/A ARG 36.A NH1 GLN 41.A OE1 no hydrogen 2.910 N/A ILE 37.A N LEU 28.A O no hydrogen 2.995 N/A HIS 39.A N VAL 26.A O no hydrogen 2.975 N/A HIS 39.A NE2 GLU 17.A OE2 no hydrogen 2.992 N/A ARG 40.A NE GLU 17.A OE1 no hydrogen 2.691 N/A ARG 40.A NE GLU 17.A OE2 no hydrogen 3.464 N/A ARG 40.A NH1 GLU 43.A OE2 no hydrogen 2.780 N/A ARG 40.A NH2 GLU 17.A OE2 no hydrogen 3.060 N/A GLU 43.A N ARG 40.A O no hydrogen 3.313 N/A ARG 44.A NH1 VAL 138.A O no hydrogen 3.010 N/A ARG 44.A NH1 THR 159.A OG1 no hydrogen 2.827 N/A ARG 44.A NH2 VAL 138.A O no hydrogen 3.300 N/A PHE 45.A N THR 160.A O no hydrogen 2.918 N/A MET 47.A N ASP 158.A O no hydrogen 2.921 N/A CYS 48.A SG ASN 149.A O no hydrogen 3.941 N/A SER 49.A OG SER 109.A OG no hydrogen 2.940 N/A THR 50.A OG1 MET 47.A O no hydrogen 2.722 N/A THR 50.A OG1 TYR 242.A OH no hydrogen 2.872 N/A PHE 51.A N CYS 48.A O no hydrogen 3.283 N/A LYS 52.A N SER 49.A O no hydrogen 3.049 N/A LYS 52.A NZ SER 49.A OG no hydrogen 2.981 N/A LYS 52.A NZ SER 109.A O no hydrogen 2.833 N/A LYS 52.A NZ SER 109.A OG no hydrogen 3.139 N/A LYS 52.A NZ ASN 111.A OD1 no hydrogen 2.728 N/A LYS 52.A NZ GLU 145.A OE2 no hydrogen 3.370 N/A SER 53.A N THR 50.A O no hydrogen 3.328 N/A SER 53.A OG THR 50.A O no hydrogen 2.882 N/A MET 54.A N PHE 51.A O no hydrogen 2.852 N/A LEU 55.A N PHE 51.A O no hydrogen 3.044 N/A ALA 56.A N LYS 52.A O no hydrogen 2.958 N/A ALA 57.A N SER 53.A O no hydrogen 3.127 N/A THR 58.A N MET 54.A O no hydrogen 2.892 N/A THR 58.A OG1 MET 54.A O no hydrogen 2.833 N/A VAL 59.A N LEU 55.A O no hydrogen 3.018 N/A LEU 60.A N ALA 56.A O no hydrogen 2.940 N/A SER 61.A N ALA 57.A O no hydrogen 2.869 N/A GLN 62.A N THR 58.A O no hydrogen 2.927 N/A GLN 62.A NE2 VAL 121.A O no hydrogen 2.999 N/A ALA 63.A N VAL 59.A O no hydrogen 2.869 N/A GLU 64.A N LEU 60.A O no hydrogen 3.209 N/A GLU 64.A N SER 61.A O no hydrogen 3.116 N/A ARG 65.A N GLN 62.A O no hydrogen 3.013 N/A MET 66.A N ALA 63.A O no hydrogen 3.278 N/A LEU 69.A N MET 66.A O no hydrogen 3.100 N/A ASP 71.A N ALA 68.A O no hydrogen 2.990 N/A ARG 72.A N LEU 69.A O no hydrogen 3.031 N/A ARG 73.A NH1 ASP 95.A OD1 no hydrogen 2.916 N/A VAL 74.A N MET 96.A O no hydrogen 2.818 N/A VAL 76.A N LYS 94.A O no hydrogen 2.838 N/A GLY 77.A N ASP 80.A OD2 no hydrogen 2.808 N/A ASP 80.A N GLY 77.A O no hydrogen 2.884 N/A LEU 81.A N GLU 78.A O no hydrogen 3.193 N/A LEU 82.A N THR 112.A OG1 no hydrogen 2.967 N/A HIS 84.A NE2 THR 108.A O no hydrogen 2.854 N/A VAL 87.A N ASP 110.A OD2 no hydrogen 2.941 N/A THR 88.A N ASP 110.A OD2 no hydrogen 2.891 N/A THR 88.A OG1 ASP 110.A OD1 no hydrogen 3.024 N/A THR 88.A OG1 ASP 110.A OD2 no hydrogen 3.089 N/A ARG 89.A N ALA 85.A O no hydrogen 2.984 N/A ARG 90.A N VAL 87.A O no hydrogen 3.133 N/A HIS 91.A N THR 88.A O no hydrogen 2.901 N/A GLY 93.A N VAL 76.A O no hydrogen 2.841 N/A LYS 94.A N HIS 91.A O no hydrogen 2.969 N/A LYS 94.A NZ HIS 91.A ND1 no hydrogen 2.859 N/A LYS 94.A NZ ASP 95.A O no hydrogen 2.764 N/A MET 96.A N VAL 74.A O no hydrogen 3.090 N/A VAL 98.A N ARG 72.A O no hydrogen 2.825 N/A ARG 99.A N LEU 70.A O no hydrogen 2.936 N/A ARG 99.A NH1 ASP 71.A OD1 no hydrogen 2.847 N/A ARG 99.A NH2 ASP 71.A OD1 no hydrogen 2.996 N/A ASP 100.A N THR 97.A OG1 no hydrogen 2.942 N/A LEU 101.A N THR 97.A O no hydrogen 2.921 N/A CYS 102.A N VAL 98.A O no hydrogen 2.941 N/A CYS 102.A SG VAL 98.A O no hydrogen 3.494 N/A ARG 103.A N ARG 99.A O no hydrogen 3.041 N/A ARG 103.A NH2 ASP 192.A OD2 no hydrogen 2.889 N/A ALA 104.A N ASP 100.A O no hydrogen 2.965 N/A THR 105.A N LEU 101.A O no hydrogen 2.964 N/A THR 105.A OG1 ASP 110.A O no hydrogen 2.958 N/A ILE 106.A N CYS 102.A O no hydrogen 3.101 N/A ILE 107.A N ARG 103.A O no hydrogen 2.914 N/A THR 108.A N ALA 104.A O no hydrogen 3.100 N/A THR 108.A OG1 ALA 104.A O no hydrogen 2.750 N/A SER 109.A OG SER 49.A OG no hydrogen 2.940 N/A ASP 110.A N ALA 104.A O no hydrogen 3.454 N/A ASN 111.A N HIS 84.A O no hydrogen 2.906 N/A THR 112.A OG1 ASP 80.A O no hydrogen 2.824 N/A ALA 113.A N ASP 110.A OD1 no hydrogen 2.876 N/A ALA 114.A N ASP 110.A O no hydrogen 3.305 N/A ASN 115.A N ASN 111.A O no hydrogen 3.087 N/A ASN 115.A ND2 GLU 145.A O no hydrogen 2.919 N/A LEU 116.A N THR 112.A O no hydrogen 2.951 N/A LEU 117.A N ALA 113.A O no hydrogen 2.943 N/A PHE 118.A N ALA 114.A O no hydrogen 2.808 N/A GLY 119.A N ASN 115.A O no hydrogen 3.088 N/A VAL 120.A N LEU 116.A O no hydrogen 3.125 N/A VAL 121.A N LEU 117.A O no hydrogen 3.002 N/A GLY 122.A N PHE 118.A O no hydrogen 3.095 N/A GLY 123.A N PHE 118.A O no hydrogen 2.751 N/A ALA 126.A N GLY 123.A O no hydrogen 2.904 N/A VAL 127.A N GLY 123.A O no hydrogen 3.334 N/A THR 128.A N PRO 124.A O no hydrogen 2.893 N/A THR 128.A OG1 PRO 124.A O no hydrogen 3.342 N/A THR 128.A OG1 SER 141.A O no hydrogen 2.770 N/A ALA 129.A N PRO 125.A O no hydrogen 2.850 N/A PHE 130.A N ALA 126.A O no hydrogen 2.923 N/A LEU 131.A N VAL 127.A O no hydrogen 2.907 N/A ARG 132.A N THR 128.A O no hydrogen 2.869 N/A ARG 132.A NH1 ASP 136.A O no hydrogen 2.763 N/A ARG 132.A NH1 SER 139.A O no hydrogen 2.657 N/A ARG 132.A NH2 SER 139.A O no hydrogen 3.082 N/A ALA 133.A N ALA 129.A O no hydrogen 2.907 N/A SER 134.A N PHE 130.A O no hydrogen 2.954 N/A SER 134.A OG LEU 131.A O no hydrogen 2.705 N/A GLY 135.A N ARG 132.A O no hydrogen 2.988 N/A ASP 136.A N LEU 131.A O no hydrogen 2.956 N/A VAL 138.A N ASP 136.A OD1 no hydrogen 2.879 N/A SER 139.A N ASP 136.A OD1 no hydrogen 2.858 N/A SER 139.A OG ASP 136.A OD1 no hydrogen 3.416 N/A SER 139.A OG ASP 136.A OD2 no hydrogen 2.652 N/A SER 139.A OG THR 160.A OG1 no hydrogen 2.664 N/A ARG 140.A N THR 159.A O no hydrogen 3.096 N/A ARG 140.A NE ASP 142.A OD2 no hydrogen 2.892 N/A ARG 140.A NH2 ASP 142.A OD1 no hydrogen 2.874 N/A SER 141.A N THR 128.A OG1 no hydrogen 2.895 N/A ASP 142.A N ASP 158.A OD1 no hydrogen 2.782 N/A ARG 143.A N ASP 158.A OD1 no hydrogen 3.088 N/A ARG 143.A NE ASP 158.A OD2 no hydrogen 2.653 N/A ARG 143.A NH1 SER 150.A OG no hydrogen 2.929 N/A ARG 143.A NH2 SER 150.A O no hydrogen 3.546 N/A ARG 143.A NH2 SER 150.A OG no hydrogen 3.288 N/A ARG 143.A NH2 ASP 158.A OD2 no hydrogen 2.952 N/A GLU 145.A N ASN 115.A OD1 no hydrogen 2.911 N/A GLU 147.A N GLU 147.A OE1 no hydrogen 2.856 N/A LEU 148.A N LEU 144.A O no hydrogen 2.911 N/A ASN 149.A N PRO 146.A O no hydrogen 3.218 N/A ASN 149.A ND2 GLU 145.A OE1 no hydrogen 2.794 N/A ASN 149.A ND2 PRO 146.A O no hydrogen 3.002 N/A SER 150.A N GLU 147.A O no hydrogen 3.224 N/A ASP 155.A N ALA 152.A O no hydrogen 2.808 N/A ARG 157.A N ASP 155.A OD1 no hydrogen 3.064 N/A ARG 157.A NE ASP 155.A OD1 no hydrogen 3.112 N/A ARG 157.A NE ASP 155.A OD2 no hydrogen 3.208 N/A ARG 157.A NH2 ASP 155.A OD2 no hydrogen 2.730 N/A ASP 158.A N ASP 142.A OD2 no hydrogen 2.949 N/A THR 159.A OG1 PRO 156.A O no hydrogen 2.630 N/A THR 160.A N PHE 45.A O no hydrogen 3.045 N/A THR 160.A OG1 SER 139.A OG no hydrogen 2.664 N/A THR 160.A OG1 THR 161.A O no hydrogen 3.284 N/A ALA 163.A N GLN 41.A O no hydrogen 2.897 N/A ALA 164.A N THR 161.A OG1 no hydrogen 2.951 N/A MET 165.A N THR 161.A O no hydrogen 2.969 N/A ALA 166.A N PRO 162.A O no hydrogen 2.968 N/A ALA 167.A N ALA 163.A O no hydrogen 2.993 N/A THR 168.A N ALA 164.A O no hydrogen 2.931 N/A THR 168.A OG1 ASP 136.A OD2 no hydrogen 2.631 N/A THR 168.A OG1 ALA 164.A O no hydrogen 3.128 N/A LEU 169.A N MET 165.A O no hydrogen 2.827 N/A GLN 170.A N ALA 166.A O no hydrogen 3.029 N/A ARG 171.A N ALA 167.A O no hydrogen 2.918 N/A VAL 172.A N THR 168.A O no hydrogen 2.857 N/A VAL 173.A N LEU 169.A O no hydrogen 2.788 N/A LEU 174.A N GLN 170.A O no hydrogen 3.046 N/A VAL 177.A N ARG 171.A O no hydrogen 3.478 N/A GLN 179.A N GLU 64.A OE2 no hydrogen 2.770 N/A SER 182.A OG GLU 64.A OE2 no hydrogen 2.619 N/A ARG 183.A N.A GLN 179.A O no hydrogen 2.939 N/A ARG 183.A N.B GLN 179.A O no hydrogen 2.947 N/A ARG 183.A NE.A LEU 178.A O no hydrogen 3.422 N/A ARG 183.A NH2.A LEU 178.A O no hydrogen 2.797 N/A GLN 184.A N PRO 180.A O no hydrogen 2.904 N/A GLN 185.A N ALA 181.A O no hydrogen 3.057 N/A LEU 186.A N SER 182.A O no hydrogen 3.047 N/A ALA 187.A N ARG 183.A O.A no hydrogen 2.849 N/A ALA 187.A N ARG 183.A O.B no hydrogen 2.818 N/A ASP 188.A N GLN 184.A O no hydrogen 2.925 N/A TRP 189.A N GLN 185.A O no hydrogen 3.069 N/A LEU 190.A N LEU 186.A O no hydrogen 3.036 N/A ILE 191.A N ALA 187.A O no hydrogen 2.829 N/A ASP 192.A N ASP 188.A O no hydrogen 2.943 N/A ASN 193.A N LEU 190.A O no hydrogen 3.159 N/A ASN 193.A ND2 THR 195.A OG1 no hydrogen 3.173 N/A ASN 193.A ND2 ASP 212.A OD1 no hydrogen 2.966 N/A ASN 193.A ND2 ASP 212.A OD2 no hydrogen 3.232 N/A GLU 194.A N ILE 107.A O no hydrogen 3.050 N/A THR 195.A N ASN 193.A OD1 no hydrogen 3.331 N/A THR 195.A OG1 ASN 193.A OD1 no hydrogen 3.156 N/A THR 195.A OG1 THR 214.A OG1 no hydrogen 2.649 N/A CYS 199.A N GLY 196.A O no hydrogen 3.066 N/A LEU 200.A N ASP 224.A OD2 no hydrogen 2.979 N/A ARG 201.A NE ASP 212.A OD1 no hydrogen 2.857 N/A ARG 201.A NH2 ILE 191.A O no hydrogen 3.251 N/A ARG 201.A NH2 VAL 210.A O no hydrogen 3.075 N/A ARG 201.A NH2 ASP 212.A OD1 no hydrogen 3.032 N/A ALA 202.A N CYS 199.A O no hydrogen 3.014 N/A GLY 203.A N LEU 200.A O no hydrogen 2.928 N/A LEU 204.A N ARG 201.A O no hydrogen 3.290 N/A GLY 205.A N ASP 265.A OD2 no hydrogen 2.920 N/A ARG 207.A NE ASP 265.A OD1 no hydrogen 3.083 N/A ARG 207.A NH1 GLY 269.A OXT no hydrogen 2.760 N/A ARG 207.A NH2 ASP 265.A OD1 no hydrogen 2.940 N/A ARG 207.A NH2 GLY 269.A OXT no hydrogen 2.986 N/A TRP 208.A N GLY 205.A O no hydrogen 3.225 N/A TRP 208.A NE1 ASP 265.A OD1 no hydrogen 2.845 N/A ARG 209.A N TRP 229.A O no hydrogen 2.801 N/A GLY 211.A N VAL 227.A O no hydrogen 2.978 N/A ASP 212.A N LEU 190.A O no hydrogen 2.985 N/A LYS 213.A N ILE 225.A O no hydrogen 2.900 N/A LYS 213.A NZ SER 109.A OG no hydrogen 2.848 N/A LYS 213.A NZ THR 214.A O no hydrogen 2.827 N/A THR 214.A OG1 THR 195.A OG1 no hydrogen 2.649 N/A GLY 215.A N ASN 223.A O no hydrogen 2.963 N/A ASN 217.A N ALA 221.A O no hydrogen 3.095 N/A ASN 217.A ND2 ASN 149.A O no hydrogen 3.005 N/A GLU 219.A N ASN 217.A OD1 no hydrogen 3.049 N/A ASP 220.A N ASN 217.A OD1 no hydrogen 3.098 N/A ALA 221.A N ASN 217.A OD1 no hydrogen 3.156 N/A ARG 222.A N LEU 243.A O no hydrogen 2.958 N/A ARG 222.A NH1 TYR 250.A O no hydrogen 2.878 N/A ASN 223.A N GLY 215.A O no hydrogen 2.782 N/A ASN 223.A ND2 PRO 46.A O no hydrogen 2.938 N/A ASN 223.A ND2 MET 47.A O no hydrogen 3.176 N/A ASP 224.A N ALA 241.A O no hydrogen 2.845 N/A ILE 225.A N LYS 213.A O no hydrogen 2.995 N/A ALA 226.A N LEU 239.A O no hydrogen 2.812 N/A VAL 227.A N GLY 211.A O no hydrogen 2.803 N/A LEU 228.A N TRP 237.A O no hydrogen 2.781 N/A TRP 229.A N ARG 209.A O no hydrogen 2.839 N/A VAL 231.A N ARG 207.A O no hydrogen 2.997 N/A GLY 233.A N PRO 230.A O no hydrogen 2.940 N/A TRP 237.A N LEU 228.A O no hydrogen 2.919 N/A VAL 238.A N LEU 29.A O no hydrogen 2.907 N/A LEU 239.A N ALA 226.A O no hydrogen 2.922 N/A THR 240.A N THR 27.A O no hydrogen 2.891 N/A THR 240.A OG1 PRO 162.A O no hydrogen 2.804 N/A ALA 241.A N ASP 224.A O no hydrogen 2.890 N/A TYR 242.A N GLY 25.A O no hydrogen 2.802 N/A TYR 242.A OH THR 50.A OG1 no hydrogen 2.872 N/A LEU 243.A N ARG 222.A O no hydrogen 3.059 N/A LEU 243.A N ASN 223.A OD1 no hydrogen 3.385 N/A GLN 244.A N ARG 23.A O no hydrogen 2.904 N/A GLN 244.A NE2 ASP 220.A OD1 no hydrogen 3.260 N/A ALA 245.A N ASP 220.A O no hydrogen 2.880 N/A ILE 248.A N ALA 245.A O no hydrogen 3.497 N/A SER 249.A N GLN 252.A OE1 no hydrogen 2.937 N/A SER 249.A OG GLN 252.A OE1 no hydrogen 3.539 N/A GLN 252.A N SER 249.A OG no hydrogen 3.033 N/A GLN 252.A NE2 ASP 4.A OD1 no hydrogen 2.816 N/A ARG 253.A N SER 249.A O no hydrogen 2.864 N/A ARG 253.A NE ALA 245.A O no hydrogen 2.871 N/A ARG 253.A NH1 ALA 245.A O no hydrogen 3.236 N/A ALA 254.A N TYR 250.A O no hydrogen 3.205 N/A SER 255.A N.A GLU 251.A O no hydrogen 3.113 N/A SER 255.A N.B GLU 251.A O no hydrogen 3.123 N/A SER 255.A OG.A GLU 251.A O no hydrogen 3.398 N/A SER 255.A OG.B GLN 252.A O no hydrogen 2.547 N/A VAL 256.A N GLN 252.A O no hydrogen 2.968 N/A LEU 257.A N ARG 253.A O no hydrogen 3.098 N/A ALA 258.A N ALA 254.A O no hydrogen 2.832 N/A GLN 259.A N SER 255.A O.A no hydrogen 2.928 N/A GLN 259.A N SER 255.A O.B no hydrogen 3.027 N/A GLN 259.A NE2 ALA 10.A O no hydrogen 2.791 N/A VAL 260.A N VAL 256.A O no hydrogen 2.903 N/A GLY 261.A N LEU 257.A O no hydrogen 3.101 N/A ARG 262.A N ALA 258.A O no hydrogen 2.972 N/A ARG 262.A NH1 GLN 259.A OE1 no hydrogen 3.016 N/A ILE 263.A N GLN 259.A O no hydrogen 2.902 N/A ALA 264.A N VAL 260.A O no hydrogen 2.859 N/A ASP 265.A N GLY 261.A O no hydrogen 2.871 N/A ARG 266.A N ARG 262.A O no hydrogen 3.223 N/A LEU 267.A N ILE 263.A O no hydrogen 2.921 N/A ILE 268.A N ALA 264.A O no hydrogen 2.950 N/A GLY 269.A N ASP 265.A O no hydrogen 3.097 N/A