Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5r1p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N PRO 126.A O no hydrogen 3.081 N/A ASN 4.A N ASN 7.A OD1 no hydrogen 2.867 N/A ASN 4.A ND2 GLU 128.A OE2.A no hydrogen 3.359 N/A SER 6.A N ASN 4.A OD1 no hydrogen 3.113 N/A SER 6.A OG ASN 4.A OD1 no hydrogen 2.798 N/A ASN 7.A ND2 ALA 2.A O no hydrogen 3.266 N/A GLU 10.A N ASN 7.A O no hydrogen 3.311 N/A LEU 11.A N TYR 8.A O no hydrogen 3.226 N/A PHE 12.A N ALA 9.A O no hydrogen 3.057 N/A ASN 13.A N GLU 10.A O no hydrogen 3.220 N/A ASP 15.A N ASN 13.A OD1 no hydrogen 3.050 N/A LYS 17.A NZ GLU 10.A O no hydrogen 2.850 N/A LYS 17.A NZ ASP 15.A O no hydrogen 3.064 N/A LEU 18.A N GLN 100.A O no hydrogen 3.065 N/A PHE 19.A N LEU 50.A O no hydrogen 2.792 N/A VAL 20.A N ILE 102.A O no hydrogen 2.907 N/A ASP 21.A N PHE 48.A O no hydrogen 2.789 N/A THR 23.A N.A ASP 21.A OD1 no hydrogen 3.039 N/A THR 23.A N.B ASP 21.A OD1 no hydrogen 3.037 N/A THR 23.A OG1.A ASP 21.A OD1 no hydrogen 3.266 N/A THR 23.A OG1.A ASP 21.A OD2 no hydrogen 3.288 N/A THR 23.A OG1.B ASP 21.A OD1 no hydrogen 2.666 N/A ASN 24.A ND2 SER 134.A O no hydrogen 2.848 N/A VAL 25.A N ASP 22.A O no hydrogen 3.107 N/A ARG 27.A NE ASN 44.A O no hydrogen 2.879 N/A ARG 27.A NH1 ASN 44.A O no hydrogen 3.296 N/A THR 29.A N LYS 41.A O no hydrogen 2.873 N/A THR 29.A OG1 LYS 41.A O no hydrogen 3.401 N/A HIS 31.A N ALA 39.A O no hydrogen 3.005 N/A THR 33.A N ASN 37.A O no hydrogen 2.682 N/A THR 33.A OG1 ASN 37.A O no hydrogen 3.258 N/A GLY 36.A N THR 33.A O no hydrogen 2.885 N/A ASN 37.A N THR 33.A OG1 no hydrogen 3.005 N/A ALA 39.A N HIS 31.A O no hydrogen 2.907 N/A LYS 41.A N THR 29.A O no hydrogen 2.947 N/A LYS 41.A NZ ALA 42.A O no hydrogen 3.508 N/A ILE 43.A N ARG 27.A O no hydrogen 2.842 N/A ASN 44.A ND2 VAL 146.A O no hydrogen 2.994 N/A ASN 44.A ND2 MET 147.A O.A no hydrogen 3.528 N/A ASN 44.A ND2 MET 147.A O.B no hydrogen 3.563 N/A ASN 44.A ND2 MET 147.A O.C no hydrogen 3.690 N/A ASN 44.A ND2 ALA 149.A O no hydrogen 3.058 N/A GLY 45.A N ILE 62.A O no hydrogen 2.715 N/A CYS 46.A N ASN 24.A O no hydrogen 2.876 N/A ILE 47.A N LYS 60.A O no hydrogen 3.065 N/A PHE 48.A N ASP 21.A O no hydrogen 3.114 N/A THR 49.A N PHE 58.A O no hydrogen 3.454 N/A LEU 50.A N PHE 19.A O no hydrogen 2.943 N/A ASN 51.A N HIS 56.A O no hydrogen 2.960 N/A LYS 53.A N ASN 51.A OD1 no hydrogen 2.900 N/A LYS 53.A NZ PHE 12.A O no hydrogen 2.826 N/A THR 54.A N ASN 51.A OD1 no hydrogen 3.187 N/A GLY 55.A N ASN 51.A O no hydrogen 2.812 N/A HIS 56.A N THR 54.A OG1 no hydrogen 3.223 N/A LEU 57.A N PHE 157.A O no hydrogen 2.686 N/A PHE 58.A N THR 49.A O no hydrogen 2.815 N/A LEU 59.A N VAL 155.A O no hydrogen 2.946 N/A LYS 60.A N ILE 47.A O no hydrogen 3.256 N/A ILE 61.A N GLN 153.A O no hydrogen 2.688 N/A ILE 62.A N GLY 45.A O no hydrogen 2.584 N/A HIS 63.A ND1 SER 65.A OG no hydrogen 2.999 N/A THR 64.A N ASN 44.A OD1 no hydrogen 3.057 N/A SER 65.A N HIS 63.A ND1 no hydrogen 3.021 N/A SER 65.A OG HIS 63.A ND1 no hydrogen 2.999 N/A VAL 66.A N.A HIS 63.A O no hydrogen 2.938 N/A VAL 66.A N.B HIS 63.A O no hydrogen 2.914 N/A TRP 67.A N THR 64.A O no hydrogen 3.003 N/A ALA 68.A N SER 65.A O no hydrogen 2.907 N/A GLN 70.A N TRP 67.A O no hydrogen 3.024 N/A GLN 70.A NE2 ALA 68.A O no hydrogen 3.154 N/A ARG 72.A NH2 GLN 75.A OE1 no hydrogen 3.359 N/A LEU 76.A N ARG 72.A O no hydrogen 2.799 N/A ALA 77.A N LEU 73.A O no hydrogen 2.724 N/A LYS 78.A N GLN 75.A O no hydrogen 3.222 N/A LYS 80.A N LEU 76.A O no hydrogen 2.847 N/A LYS 80.A NZ GLU 84.A OE2 no hydrogen 3.210 N/A THR 81.A N ALA 77.A O no hydrogen 2.827 N/A THR 81.A OG1 ALA 77.A O no hydrogen 2.786 N/A ALA 82.A N LYS 78.A O no hydrogen 3.173 N/A GLU 83.A N TRP 79.A O no hydrogen 2.887 N/A GLU 84.A N LYS 80.A O no hydrogen 2.917 N/A VAL 85.A N THR 81.A O no hydrogen 2.805 N/A SER 86.A N.A ALA 82.A O no hydrogen 2.949 N/A SER 86.A N.B ALA 82.A O no hydrogen 2.929 N/A SER 86.A OG.A ALA 82.A O no hydrogen 2.662 N/A SER 86.A OG.A GLU 83.A O no hydrogen 2.934 N/A SER 86.A OG.B HIS 115.A O no hydrogen 3.116 N/A ALA 87.A N GLU 83.A O no hydrogen 2.952 N/A LEU 88.A N GLU 84.A O no hydrogen 2.924 N/A VAL 89.A N VAL 85.A O no hydrogen 2.911 N/A ARG 90.A N SER 86.A O.A no hydrogen 2.850 N/A ARG 90.A N SER 86.A O.B no hydrogen 2.885 N/A ARG 90.A NE SER 86.A OG.B no hydrogen 3.351 N/A ARG 90.A NH2 SER 86.A OG.B no hydrogen 3.228 N/A ARG 90.A NH2 HIS 115.A O no hydrogen 3.391 N/A ARG 90.A NH2 ASP 118.A OD2 no hydrogen 2.841 N/A SER 91.A N ALA 87.A O no hydrogen 2.913 N/A SER 91.A OG LEU 88.A O no hydrogen 2.770 N/A LEU 92.A N VAL 89.A O no hydrogen 2.894 N/A GLU 95.A N GLU 95.A OE2 no hydrogen 2.786 N/A GLU 96.A N PRO 93.A O no hydrogen 2.855 N/A GLN 97.A N LYS 94.A O no hydrogen 3.083 N/A GLN 97.A NE2 VAL 89.A O no hydrogen 2.780 N/A LYS 99.A N.A ILE 16.A O no hydrogen 2.794 N/A LYS 99.A N.B ILE 16.A O no hydrogen 2.797 N/A GLN 100.A NE2 GLU 10.A OE2 no hydrogen 3.069 N/A ILE 101.A N ALA 123.A O no hydrogen 2.884 N/A ILE 102.A N LEU 18.A O no hydrogen 2.879 N/A VAL 103.A N ARG 125.A O no hydrogen 2.914 N/A THR 104.A N VAL 20.A O no hydrogen 3.061 N/A THR 104.A OG1 VAL 20.A O no hydrogen 3.459 N/A THR 104.A OG1 ASP 21.A OD2 no hydrogen 2.691 N/A ARG 105.A NE ASP 22.A OD1 no hydrogen 2.548 N/A ARG 105.A NE ASP 22.A OD2 no hydrogen 3.310 N/A ARG 105.A NH2 ASP 22.A OD2 no hydrogen 2.622 N/A LYS 106.A NZ GLU 128.A OE1.B no hydrogen 3.247 N/A MET 108.A N ARG 105.A O no hydrogen 2.949 N/A LEU 109.A N LYS 106.A O no hydrogen 3.031 N/A LEU 112.A N MET 108.A O no hydrogen 3.116 N/A GLU 113.A N LEU 109.A O no hydrogen 2.898 N/A VAL 114.A N ASP 110.A O no hydrogen 2.907 N/A HIS 115.A N PRO 111.A O no hydrogen 2.904 N/A MET 116.A N LEU 112.A O no hydrogen 2.621 N/A MET 116.A N GLU 113.A O no hydrogen 3.183 N/A LEU 117.A N VAL 114.A O no hydrogen 3.266 N/A PHE 119.A N MET 116.A O no hydrogen 2.670 N/A ILE 122.A N PHE 119.A O no hydrogen 3.023 N/A ALA 123.A N LYS 99.A O.A no hydrogen 3.104 N/A ALA 123.A N LYS 99.A O.B no hydrogen 3.025 N/A ARG 125.A N ILE 101.A O no hydrogen 2.681 N/A ARG 125.A NE GLY 1.A O no hydrogen 2.703 N/A ARG 125.A NH1 GLU 10.A OE1 no hydrogen 3.352 N/A ARG 125.A NH1 GLN 100.A OE1 no hydrogen 2.649 N/A ARG 125.A NH2 GLY 1.A O no hydrogen 2.937 N/A THR 127.A OG1 MET 3.A O no hydrogen 2.763 N/A GLU 128.A N.A MET 3.A O no hydrogen 2.613 N/A GLU 128.A N.B MET 3.A O no hydrogen 2.628 N/A LEU 129.A N THR 127.A OG1 no hydrogen 2.948 N/A ALA 135.A N PRO 132.A O no hydrogen 3.127 N/A ALA 136.A N PHE 133.A O no hydrogen 3.002 N/A SER 138.A N ALA 135.A O no hydrogen 2.656 N/A SER 138.A OG GLU 187.A OE1 no hydrogen 2.825 N/A ILE 139.A N ALA 136.A O no hydrogen 3.025 N/A LYS 141.A NZ LYS 203.A O no hydrogen 2.934 N/A LYS 141.A NZ SER 204.A O no hydrogen 3.262 N/A LYS 141.A NZ HIS 206.A O no hydrogen 2.759 N/A SER 143.A N ILE 139.A O no hydrogen 2.889 N/A ASP 144.A N ASP 140.A O no hydrogen 2.811 N/A VAL 145.A N LYS 141.A O no hydrogen 3.235 N/A VAL 146.A N LEU 142.A O no hydrogen 3.182 N/A MET 147.A N.A SER 143.A O no hydrogen 2.966 N/A MET 147.A N.B SER 143.A O no hydrogen 2.984 N/A MET 147.A N.C SER 143.A O no hydrogen 2.997 N/A LYS 148.A N ASP 144.A O no hydrogen 3.006 N/A ALA 149.A N VAL 146.A O no hydrogen 3.291 N/A VAL 155.A N LEU 59.A O no hydrogen 2.966 N/A PHE 157.A N LEU 57.A O no hydrogen 2.981 N/A ASN 158.A ND2 THR 54.A O no hydrogen 3.294 N/A ILE 159.A N GLY 55.A O no hydrogen 2.933 N/A TYR 160.A N ASN 158.A OD1 no hydrogen 2.807 N/A TYR 160.A OH PRO 52.A O no hydrogen 2.793 N/A ASP 161.A N ASN 158.A O no hydrogen 3.244 N/A TRP 163.A N TYR 160.A O no hydrogen 2.832 N/A ASP 165.A N ASP 162.A O no hydrogen 2.979 N/A ARG 166.A N TRP 163.A O no hydrogen 2.937 N/A ARG 166.A NE ASP 213.A OD1 no hydrogen 3.172 N/A ARG 166.A NH1 ASP 213.A OD2 no hydrogen 2.866 N/A ILE 167.A N TRP 163.A O no hydrogen 2.965 N/A SER 168.A OG THR 171.A OG1 no hydrogen 2.958 N/A SER 169.A OG.A LYS 53.A O no hydrogen 2.707 N/A THR 171.A N SER 168.A OG no hydrogen 3.309 N/A THR 171.A OG1 SER 168.A OG no hydrogen 2.958 N/A ALA 172.A N SER 168.A O no hydrogen 2.928 N/A PHE 173.A N SER 169.A O.A no hydrogen 2.958 N/A PHE 173.A N SER 169.A O.B no hydrogen 3.033 N/A SER 174.A N TYR 170.A O no hydrogen 3.149 N/A SER 174.A OG TYR 170.A O no hydrogen 3.297 N/A ARG 175.A N THR 171.A O no hydrogen 2.920 N/A ARG 175.A NE GLU 220.A OE1 no hydrogen 2.743 N/A LEU 176.A N ALA 172.A O no hydrogen 2.776 N/A THR 177.A N PHE 173.A O no hydrogen 2.964 N/A THR 177.A OG1 PHE 173.A O no hydrogen 2.933 N/A THR 177.A OG1 SER 174.A O no hydrogen 3.415 N/A LEU 178.A N SER 174.A O no hydrogen 3.033 N/A LEU 179.A N ARG 175.A O no hydrogen 2.947 N/A LEU 180.A N LEU 176.A O no hydrogen 2.862 N/A ARG 181.A N THR 177.A O no hydrogen 2.789 N/A ARG 181.A NH1 ARG 130.A O no hydrogen 2.786 N/A ARG 181.A NH2 ARG 130.A O no hydrogen 3.218 N/A ALA 182.A N LEU 178.A O no hydrogen 2.955 N/A LEU 183.A N LEU 179.A O no hydrogen 2.916 N/A LYS 184.A N LEU 180.A O no hydrogen 2.822 N/A LYS 184.A NZ SER 134.A OG no hydrogen 2.986 N/A THR 185.A N.A ARG 181.A O no hydrogen 2.961 N/A THR 185.A N.B ARG 181.A O no hydrogen 2.956 N/A THR 185.A OG1.A ALA 182.A O no hydrogen 3.401 N/A THR 185.A OG1.B ARG 181.A O no hydrogen 2.941 N/A ASN 186.A N ALA 182.A O no hydrogen 3.008 N/A ASN 186.A ND2 GLU 230.A OE1 no hydrogen 2.523 N/A SER 189.A N ASN 186.A OD1 no hydrogen 3.192 N/A ALA 190.A N ASN 186.A O no hydrogen 2.914 N/A LYS 191.A N GLU 187.A O no hydrogen 2.754 N/A LYS 191.A NZ ASP 140.A OD1 no hydrogen 2.979 N/A MET 192.A N GLU 188.A O no hydrogen 2.904 N/A ILE 193.A N SER 189.A O no hydrogen 2.985 N/A LEU 194.A N ALA 190.A O no hydrogen 3.116 N/A LEU 195.A N LYS 191.A O no hydrogen 3.021 N/A LEU 195.A N MET 192.A O no hydrogen 3.252 N/A THR 199.A N ASP 197.A OD1 no hydrogen 2.878 N/A THR 199.A OG1 ASP 197.A OD1 no hydrogen 2.785 N/A THR 199.A OG1 ASP 197.A OD2 no hydrogen 3.488 N/A ILE 200.A N ASP 197.A O no hydrogen 3.416 N/A HIS 206.A N LYS 203.A O no hydrogen 2.999 N/A LEU 207.A N ASP 161.A OD1 no hydrogen 2.960 N/A TRP 208.A N ASP 161.A OD2 no hydrogen 3.065 N/A TRP 208.A NE1 ILE 159.A O no hydrogen 3.011 N/A SER 210.A N THR 201.A O no hydrogen 2.919 N/A SER 210.A OG THR 201.A O no hydrogen 3.229 N/A THR 212.A N GLN 215.A OE1 no hydrogen 3.133 N/A GLN 215.A N THR 212.A OG1 no hydrogen 2.992 N/A TRP 216.A N THR 212.A O no hydrogen 2.920 N/A ILE 217.A N ASP 213.A O no hydrogen 3.184 N/A THR 218.A N GLU 214.A O no hydrogen 3.313 N/A ILE 219.A N GLN 215.A O no hydrogen 2.878 N/A GLU 220.A N TRP 216.A O no hydrogen 2.826 N/A SER 221.A N.A ILE 217.A O no hydrogen 3.080 N/A SER 221.A N.B ILE 217.A O no hydrogen 3.069 N/A SER 221.A OG.A ILE 217.A O no hydrogen 2.898 N/A GLN 222.A N THR 218.A O no hydrogen 2.850 N/A MET 223.A N ILE 219.A O no hydrogen 2.721 N/A ARG 224.A N.A GLU 220.A O no hydrogen 2.939 N/A ARG 224.A N.B GLU 220.A O no hydrogen 2.958 N/A ASP 225.A N SER 221.A O.A no hydrogen 2.939 N/A ASP 225.A N SER 221.A O.B no hydrogen 2.934 N/A LEU 226.A N GLN 222.A O no hydrogen 2.914 N/A ILE 227.A N MET 223.A O no hydrogen 2.970 N/A LEU 228.A N ARG 224.A O.A no hydrogen 3.037 N/A LEU 228.A N ARG 224.A O.B no hydrogen 3.022 N/A THR 229.A N ASP 225.A O no hydrogen 3.004 N/A THR 229.A OG1 ASP 225.A O no hydrogen 2.875 N/A GLU 230.A N LEU 226.A O no hydrogen 3.005 N/A TYR 231.A N ILE 227.A O no hydrogen 3.002 N/A GLY 232.A N LEU 228.A O no hydrogen 3.078 N/A ARG 233.A N THR 229.A O no hydrogen 3.147 N/A LYS 234.A N GLU 230.A O no hydrogen 2.969 N/A TYR 235.A N TYR 231.A O no hydrogen 3.196 N/A VAL 237.A N GLY 232.A O no hydrogen 3.190 N/A