Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2nn1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N ASN 9.A O no hydrogen 2.900 N/A ASP 6.A N ASN 9.A OD1 no hydrogen 2.943 N/A GLN 13.A N GLY 10.A O no hydrogen 2.767 N/A TRP 14.A N PRO 11.A O no hydrogen 3.273 N/A TRP 14.A NE1 GLY 4.A O no hydrogen 3.089 N/A TRP 14.A NE1 ASN 9.A O no hydrogen 2.980 N/A LYS 16.A N GLN 13.A O no hydrogen 3.207 N/A LYS 16.A NZ GLN 13.A OE1 no hydrogen 2.902 N/A LEU 17.A N TRP 14.A O no hydrogen 3.093 N/A TYR 18.A N TRP 14.A O no hydrogen 2.743 N/A TYR 18.A OH ASP 2.A OD1 no hydrogen 2.792 N/A ALA 21.A N TYR 18.A O no hydrogen 2.932 N/A ASN 22.A N PRO 19.A O no hydrogen 3.232 N/A GLY 23.A N ILE 20.A O no hydrogen 2.693 N/A ASN 25.A N GLU 203.A OE2 no hydrogen 2.892 N/A GLN 26.A NE2 LEU 201.A O no hydrogen 3.290 N/A GLN 26.A NE2 GLU 203.A OE2 no hydrogen 3.045 N/A SER 27.A N SER 195.A OG no hydrogen 2.961 N/A SER 27.A OG TYR 192.A OH no hydrogen 2.753 N/A SER 27.A OG SER 195.A O no hydrogen 3.491 N/A ILE 31.A N THR 106.A O no hydrogen 2.752 N/A LYS 32.A NZ ASP 30.A OD2 no hydrogen 2.814 N/A THR 33.A N ASP 108.A OD1 no hydrogen 3.048 N/A THR 33.A OG1 ASP 108.A OD1 no hydrogen 3.265 N/A THR 33.A OG1 ASP 108.A OD2 no hydrogen 2.674 N/A GLU 35.A N LYS 32.A O no hydrogen 2.877 N/A THR 36.A N THR 33.A O no hydrogen 3.476 N/A THR 36.A OG1 THR 33.A O no hydrogen 3.025 N/A LYS 37.A N VAL 254.A O no hydrogen 2.933 N/A ASP 39.A N ALA 256.A O no hydrogen 3.202 N/A SER 41.A N ASP 39.A OD1 no hydrogen 3.387 N/A SER 41.A OG ASP 39.A OD1 no hydrogen 2.804 N/A SER 41.A OG ASP 39.A OD2 no hydrogen 2.494 N/A LYS 43.A N GLY 80.A O no hydrogen 3.187 N/A SER 46.A N LYS 78.A O no hydrogen 2.765 N/A SER 48.A N VAL 76.A O no hydrogen 3.007 N/A TYR 49.A OH HIS 120.A NE2 no hydrogen 2.657 N/A ASN 50.A N SER 75.A OG no hydrogen 2.888 N/A ALA 52.A N ASN 50.A OD1 no hydrogen 2.910 N/A THR 53.A N ASN 50.A O no hydrogen 2.922 N/A THR 53.A OG1 ASN 50.A O no hydrogen 2.695 N/A THR 53.A OG1 SER 75.A OG no hydrogen 2.809 N/A ALA 54.A N PRO 51.A O no hydrogen 3.274 N/A LYS 55.A N ASN 67.A O no hydrogen 2.878 N/A GLU 56.A N ASN 67.A O no hydrogen 3.247 N/A ILE 57.A N ALA 172.A O no hydrogen 2.901 N/A ILE 58.A N HIS 65.A O no hydrogen 2.766 N/A ASN 59.A N LYS 170.A O no hydrogen 2.965 N/A ASN 59.A ND2 ILE 165.A O no hydrogen 2.944 N/A ASN 59.A ND2 LEU 228.A O no hydrogen 3.099 N/A VAL 60.A N SER 63.A O no hydrogen 2.829 N/A GLY 61.A N ASN 59.A OD1 no hydrogen 2.835 N/A SER 63.A OG PHE 64.A O no hydrogen 3.427 N/A SER 63.A OG PHE 93.A O no hydrogen 3.413 N/A PHE 64.A N SER 63.A OG no hydrogen 2.693 N/A HIS 65.A N ILE 58.A O no hydrogen 2.857 N/A VAL 66.A N PHE 91.A O no hydrogen 3.093 N/A ASN 67.A N GLU 56.A O no hydrogen 2.708 N/A PHE 68.A N PHE 89.A O no hydrogen 2.950 N/A GLU 69.A N THR 53.A O no hydrogen 2.704 N/A ARG 74.A N ASP 72.A OD1 no hydrogen 3.192 N/A ARG 74.A NE ASP 72.A OD1 no hydrogen 2.861 N/A ARG 74.A NH2 GLU 69.A OE1 no hydrogen 2.733 N/A SER 75.A OG THR 53.A OG1 no hydrogen 2.809 N/A VAL 76.A N SER 48.A O no hydrogen 2.970 N/A LEU 77.A N TYR 86.A O no hydrogen 2.767 N/A LYS 78.A N SER 46.A O no hydrogen 2.787 N/A GLY 80.A N PRO 44.A O no hydrogen 3.059 N/A PHE 82.A N GLY 79.A O no hydrogen 2.924 N/A TYR 86.A N LEU 77.A O no hydrogen 2.944 N/A TYR 86.A OH ASP 137.A O no hydrogen 2.759 N/A ARG 87.A N TRP 121.A O no hydrogen 2.847 N/A ARG 87.A NE ASN 73.A OD1 no hydrogen 3.060 N/A ARG 87.A NH1 ASP 70.A O no hydrogen 3.011 N/A ARG 87.A NH2 ASN 73.A OD1 no hydrogen 2.986 N/A LEU 88.A N SER 75.A O no hydrogen 3.010 N/A PHE 89.A N ALA 119.A O no hydrogen 2.992 N/A GLN 90.A NE2 ASN 67.A OD1 no hydrogen 2.924 N/A PHE 91.A N VAL 66.A O no hydrogen 3.103 N/A HIS 92.A N HIS 117.A O no hydrogen 2.926 N/A HIS 92.A ND1 GLN 90.A OE1 no hydrogen 2.814 N/A HIS 94.A N GLU 115.A O no hydrogen 2.966 N/A HIS 94.A ND1 ASN 242.A O no hydrogen 2.714 N/A TRP 95.A N ASN 242.A OD1 no hydrogen 2.804 N/A TRP 95.A NE1 MET 239.A O no hydrogen 2.891 N/A ASN 99.A ND2 SER 218.A OG no hydrogen 3.020 N/A HIS 101.A N THR 98.A O no hydrogen 3.352 N/A SER 103.A N TYR 112.A O no hydrogen 2.997 N/A SER 103.A OG HIS 105.A O no hydrogen 2.923 N/A SER 103.A OG TYR 112.A O no hydrogen 3.542 N/A GLU 104.A N GLU 115.A OE1 no hydrogen 2.789 N/A HIS 105.A N GLU 115.A OE1 no hydrogen 2.717 N/A HIS 105.A ND1 GLU 115.A OE2 no hydrogen 2.753 N/A HIS 105.A NE2 TYR 192.A OH no hydrogen 2.714 N/A THR 106.A N VAL 29.A O no hydrogen 3.460 N/A THR 106.A OG1 ASP 30.A OD1 no hydrogen 2.632 N/A VAL 107.A N VAL 110.A O no hydrogen 3.278 N/A ASP 108.A N ILE 31.A O no hydrogen 2.780 N/A GLY 109.A N ASP 30.A OD1 no hydrogen 2.859 N/A VAL 110.A N VAL 107.A O no hydrogen 2.940 N/A TYR 112.A N SER 103.A OG no hydrogen 2.995 N/A SER 113.A N MET 146.A O no hydrogen 3.071 N/A SER 113.A OG ASN 99.A O no hydrogen 2.714 N/A ALA 114.A N MET 146.A O no hydrogen 3.328 N/A GLU 115.A N HIS 94.A O no hydrogen 2.969 N/A LEU 116.A N VAL 144.A O no hydrogen 2.914 N/A HIS 117.A N HIS 92.A O no hydrogen 2.853 N/A HIS 117.A NE2 GLU 115.A OE2 no hydrogen 2.663 N/A VAL 118.A N ILE 142.A O no hydrogen 3.002 N/A ALA 119.A N GLN 90.A O no hydrogen 2.759 N/A HIS 120.A N ALA 140.A O no hydrogen 2.825 N/A HIS 120.A ND1 ALA 140.A O no hydrogen 2.942 N/A HIS 120.A NE2 TYR 49.A OH no hydrogen 2.657 N/A TRP 121.A N ARG 87.A O no hydrogen 2.869 N/A TRP 121.A NE1 ASP 70.A OD2 no hydrogen 2.865 N/A ASN 122.A N GLY 138.A O no hydrogen 2.708 N/A ASN 122.A ND2 ASP 84.A OD2 no hydrogen 3.212 N/A ASN 122.A ND2 ASP 137.A O no hydrogen 3.233 N/A SER 123.A OG ASN 73.A OD1 no hydrogen 3.172 N/A ALA 124.A N ASN 122.A OD1 no hydrogen 3.051 N/A LYS 125.A N ASN 122.A OD1 no hydrogen 3.135 N/A TYR 126.A N ASN 122.A O no hydrogen 3.050 N/A TYR 126.A OH ASP 137.A OD1 no hydrogen 2.605 N/A SER 127.A N GLU 131.A OE1 no hydrogen 2.820 N/A GLU 131.A N SER 128.A OG no hydrogen 3.190 N/A ALA 132.A N SER 128.A O no hydrogen 2.995 N/A ALA 133.A N LEU 129.A O no hydrogen 2.714 N/A LYS 135.A N ALA 132.A O no hydrogen 2.937 N/A GLY 138.A N LYS 135.A O no hydrogen 2.838 N/A LEU 139.A N SER 204.A O no hydrogen 2.863 N/A ALA 140.A N HIS 120.A O no hydrogen 2.952 N/A VAL 141.A N THR 206.A O no hydrogen 3.321 N/A ILE 142.A N VAL 118.A O no hydrogen 2.905 N/A GLY 143.A N ILE 208.A O no hydrogen 2.653 N/A VAL 144.A N LEU 116.A O no hydrogen 2.949 N/A MET 146.A N ALA 114.A O no hydrogen 2.873 N/A LYS 147.A N ILE 214.A O no hydrogen 2.902 N/A GLY 149.A N VAL 216.A O no hydrogen 2.812 N/A ASN 152.A N GLN 220.A OE1 no hydrogen 2.875 N/A ASN 152.A ND2 SER 215.A O.A no hydrogen 2.915 N/A ASN 152.A ND2 SER 215.A O.B no hydrogen 2.887 N/A LYS 154.A N ASN 152.A OD1 no hydrogen 2.997 N/A LEU 155.A N ASN 152.A O no hydrogen 3.150 N/A GLN 156.A N PRO 153.A O no hydrogen 3.043 N/A GLN 156.A NE2 ASP 160.A OD1 no hydrogen 2.879 N/A GLN 156.A NE2 ASP 160.A OD2 no hydrogen 3.020 N/A LYS 157.A NZ THR 175.A O no hydrogen 3.212 N/A LEU 159.A N LEU 155.A O no hydrogen 2.918 N/A ASP 160.A N GLN 156.A O no hydrogen 2.894 N/A ALA 161.A N LYS 157.A O no hydrogen 3.245 N/A ALA 161.A N VAL 158.A O no hydrogen 3.048 N/A LEU 162.A N LEU 159.A O no hydrogen 3.305 N/A GLN 163.A NE2 ASP 160.A O no hydrogen 2.895 N/A ALA 164.A N ALA 161.A O no hydrogen 3.115 N/A ILE 165.A N LEU 162.A O no hydrogen 2.936 N/A LYS 166.A NZ SER 226.A O no hydrogen 3.038 N/A LYS 168.A N ASN 230.A O no hydrogen 2.893 N/A GLY 169.A N ASN 59.A O no hydrogen 2.947 N/A LYS 170.A N THR 167.A O no hydrogen 3.099 N/A LYS 170.A NZ ALA 164.A O no hydrogen 3.391 N/A ARG 171.A NE GLY 169.A O no hydrogen 3.105 N/A ARG 171.A NH1 GLY 169.A O no hydrogen 3.067 N/A ALA 172.A N ILE 57.A O no hydrogen 2.998 N/A PHE 174.A N LYS 55.A O no hydrogen 2.981 N/A PHE 177.A N PRO 51.A O no hydrogen 3.158 N/A SER 180.A N ASP 178.A OD1 no hydrogen 2.786 N/A SER 180.A OG ASP 178.A OD1 no hydrogen 2.635 N/A SER 180.A OG ASP 178.A OD2 no hydrogen 3.208 N/A THR 181.A N ASP 178.A O no hydrogen 3.210 N/A THR 181.A OG1 ASP 178.A O no hydrogen 2.732 N/A LEU 182.A N PRO 179.A O no hydrogen 3.034 N/A LEU 183.A N SER 180.A O no hydrogen 3.318 N/A SER 185.A N GLU 212.A OE2 no hydrogen 3.139 N/A SER 185.A OG GLU 212.A OE1 no hydrogen 3.110 N/A SER 185.A OG GLU 212.A OE2 no hydrogen 2.935 N/A SER 186.A N GLU 212.A OE1 no hydrogen 3.253 N/A SER 186.A OG ASP 188.A OD2 no hydrogen 3.213 N/A ASP 188.A N SER 186.A OG no hydrogen 3.356 N/A PHE 189.A N SER 257.A OG no hydrogen 2.910 N/A TRP 190.A N ILE 209.A O no hydrogen 2.880 N/A THR 191.A N ARG 255.A O no hydrogen 2.878 N/A THR 191.A OG1 TRP 207.A O no hydrogen 2.712 N/A TYR 192.A OH SER 27.A OG no hydrogen 2.753 N/A TYR 192.A OH HIS 105.A NE2 no hydrogen 2.714 N/A GLY 194.A N VAL 205.A O no hydrogen 2.706 N/A SER 195.A N SER 27.A OG no hydrogen 2.927 N/A SER 195.A OG LEU 196.A O no hydrogen 2.881 N/A LEU 196.A N TYR 202.A O no hydrogen 2.976 N/A THR 197.A OG1 GLU 104.A OE1 no hydrogen 2.606 N/A THR 197.A OG1 GLU 104.A OE2 no hydrogen 3.499 N/A HIS 198.A ND1 PRO 199.A O no hydrogen 2.873 N/A LEU 201.A N HIS 198.A O no hydrogen 2.862 N/A SER 204.A OG ALA 133.A O no hydrogen 2.568 N/A SER 204.A OG TYR 202.A O no hydrogen 3.569 N/A VAL 205.A N GLY 194.A O no hydrogen 3.288 N/A THR 206.A N LEU 139.A O no hydrogen 2.957 N/A TRP 207.A N TYR 192.A O no hydrogen 3.023 N/A TRP 207.A NE1 SER 195.A O no hydrogen 3.030 N/A ILE 208.A N VAL 141.A O no hydrogen 2.953 N/A ILE 209.A N TRP 190.A O no hydrogen 2.862 N/A CYS 210.A N GLY 143.A O no hydrogen 2.942 N/A CYS 210.A SG GLY 143.A O no hydrogen 4.016 N/A LYS 211.A N ASP 188.A O no hydrogen 3.005 N/A LYS 211.A NZ ASP 188.A OD2 no hydrogen 3.030 N/A ILE 214.A N LEU 145.A O no hydrogen 3.001 N/A SER 215.A OG.A GLU 150.A O no hydrogen 3.029 N/A SER 215.A OG.B LYS 147.A O no hydrogen 3.552 N/A SER 215.A OG.B GLU 150.A O no hydrogen 2.652 N/A SER 217.A N GLN 220.A OE1 no hydrogen 3.046 N/A GLN 220.A N SER 217.A OG no hydrogen 3.113 N/A GLN 220.A NE2 ASN 152.A O no hydrogen 2.957 N/A LEU 221.A N SER 217.A O no hydrogen 3.110 N/A ALA 222.A N SER 218.A O no hydrogen 3.066 N/A GLN 223.A N GLU 219.A O no hydrogen 3.151 N/A GLN 223.A N GLN 220.A O no hydrogen 3.020 N/A PHE 224.A N GLN 220.A O no hydrogen 3.422 N/A ARG 225.A N LEU 221.A O no hydrogen 3.123 N/A ARG 225.A NH1 GLY 96.A O no hydrogen 2.932 N/A SER 226.A N GLN 223.A O no hydrogen 3.240 N/A SER 226.A OG GLN 223.A O no hydrogen 2.667 N/A LEU 227.A N PHE 224.A O no hydrogen 3.189 N/A LEU 228.A N LYS 166.A O no hydrogen 2.788 N/A SER 229.A N VAL 237.A O no hydrogen 2.821 N/A SER 229.A OG VAL 237.A O no hydrogen 2.912 N/A ASN 230.A ND2 VAL 231.A O no hydrogen 3.044 N/A ASP 234.A N VAL 231.A O no hydrogen 3.159 N/A VAL 237.A N ASN 230.A OD1 no hydrogen 2.740 N/A MET 239.A N LEU 227.A O no hydrogen 2.765 N/A GLN 240.A N PRO 238.A O no hydrogen 2.960 N/A ASN 242.A N TRP 95.A O no hydrogen 3.080 N/A ASN 242.A ND2 HIS 62.A O no hydrogen 3.044 N/A ARG 244.A N GLU 104.A OE2 no hydrogen 2.785 N/A ARG 244.A NH1 GLN 26.A OE1 no hydrogen 2.843 N/A ARG 244.A NH1 SER 27.A O no hydrogen 2.812 N/A ARG 244.A NH2 ALA 21.A O no hydrogen 3.162 N/A ARG 244.A NH2 GLN 26.A OE1 no hydrogen 3.261 N/A GLN 247.A N PRO 28.A O no hydrogen 2.701 N/A GLN 247.A NE2 PRO 245.A O no hydrogen 2.803 N/A ARG 252.A N LEU 249.A O no hydrogen 2.999 N/A ARG 252.A NE LEU 249.A O no hydrogen 2.812 N/A ARG 252.A NH1 GLN 26.A O no hydrogen 3.110 N/A ARG 252.A NH1 PRO 193.A O no hydrogen 2.865 N/A ARG 252.A NH2 GLN 26.A O no hydrogen 2.878 N/A ARG 252.A NH2 PRO 248.A O no hydrogen 2.897 N/A ARG 255.A N THR 191.A O no hydrogen 2.926 N/A ALA 256.A N LYS 37.A O no hydrogen 2.929 N/A SER 257.A N PHE 189.A O no hydrogen 2.894 N/A SER 257.A OG PHE 189.A O no hydrogen 3.261 N/A