Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6w5e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 ASP 25.A OD2 no hydrogen 2.556 N/A SER 6.A N ASN 4.A OD1.A no hydrogen 3.043 N/A SER 6.A OG ASN 4.A OD1.A no hydrogen 2.720 N/A LYS 7.A N ASN 4.A O no hydrogen 3.054 N/A MET 8.A N VAL 5.A O no hydrogen 3.492 N/A ASN 9.A N TYR 232.A OH no hydrogen 2.945 N/A ASP 11.A N ASN 9.A OD1 no hydrogen 3.034 N/A GLU 13.A N VAL 10.A O no hydrogen 3.013 N/A PHE 14.A N ASP 11.A O no hydrogen 2.993 N/A THR 17.A N PHE 14.A O no hydrogen 3.066 N/A ASP 18.A N ASP 215.A OD1 no hydrogen 2.899 N/A THR 20.A N ASN 213.A O no hydrogen 2.845 N/A THR 20.A OG1 TYR 34.A O no hydrogen 2.729 N/A THR 20.A OG1 ASN 35.A O no hydrogen 3.296 N/A PHE 21.A N TYR 34.A O no hydrogen 3.284 N/A ILE 22.A N VAL 211.A O no hydrogen 2.862 N/A LEU 23.A N PHE 32.A O no hydrogen 2.907 N/A HIS 24.A N VAL 209.A O no hydrogen 2.767 N/A HIS 24.A ND1 THR 31.A OG1 no hydrogen 2.725 N/A ASP 25.A N GLN 30.A O no hydrogen 2.789 N/A LEU 26.A N SER 207.A O no hydrogen 3.076 N/A LYS 28.A N ASP 25.A OD1 no hydrogen 3.014 N/A ASP 29.A N ASP 25.A O no hydrogen 2.830 N/A GLN 30.A N ASP 25.A O no hydrogen 3.412 N/A THR 31.A OG1 HIS 24.A ND1 no hydrogen 2.725 N/A PHE 32.A N LEU 23.A O no hydrogen 2.822 N/A TYR 34.A N PHE 21.A O no hydrogen 2.824 N/A ASN 35.A ND2 GLY 19.A O no hydrogen 2.907 N/A ARG 38.A N ASN 35.A OD1 no hydrogen 3.138 N/A ARG 38.A NE ASN 213.A OD1 no hydrogen 2.798 N/A ARG 38.A NH2 ASN 213.A OD1 no hydrogen 3.077 N/A ALA 39.A N ASN 35.A O no hydrogen 2.986 N/A ASN 40.A N ARG 36.A O no hydrogen 3.203 N/A ASN 40.A N LYS 37.A O no hydrogen 3.162 N/A ASN 40.A ND2 ARG 36.A O no hydrogen 3.305 N/A GLN 41.A N ARG 38.A O no hydrogen 3.068 N/A ARG 42.A NE GLU 144.A OE1 no hydrogen 2.942 N/A ARG 42.A NE GLU 144.A OE2 no hydrogen 3.360 N/A ARG 42.A NH2 GLU 144.A OE2 no hydrogen 2.704 N/A GLN 43.A N ILE 140.A O no hydrogen 2.925 N/A GLN 43.A NE2 GLN 41.A O no hydrogen 3.258 N/A GLN 43.A NE2 ASN 213.A OD1 no hydrogen 3.006 N/A THR 44.A OG1 GLN 46.A OE1 no hydrogen 2.661 N/A GLN 46.A NE2 GLN 135.A OE1 no hydrogen 2.958 N/A GLN 46.A NE2 THR 187.A O no hydrogen 3.317 N/A SER 47.A OG SER 94.A OG.B no hydrogen 2.987 N/A THR 48.A N PRO 45.A O no hydrogen 3.272 N/A THR 48.A OG1 PRO 45.A O no hydrogen 2.694 N/A PHE 49.A N GLN 46.A O no hydrogen 3.045 N/A ASN 52.A N PHE 49.A O no hydrogen 2.933 N/A LEU 54.A N VAL 50.A O no hydrogen 3.125 N/A ILE 55.A N VAL 51.A O no hydrogen 2.963 N/A GLY 56.A N ASN 52.A O no hydrogen 2.818 N/A LEU 57.A N ALA 53.A O no hydrogen 2.932 N/A GLN 58.A N LEU 54.A O no hydrogen 2.972 N/A GLN 58.A NE2 ASP 160.A OD1 no hydrogen 3.121 N/A VAL 59.A N ILE 55.A O no hydrogen 2.893 N/A LYS 60.A N LEU 57.A O no hydrogen 3.100 N/A ALA 61.A N GLY 56.A O no hydrogen 2.879 N/A VAL 62.A N GLY 56.A O no hydrogen 3.352 N/A ARG 63.A N ASP 67.A OD2 no hydrogen 2.815 N/A ARG 63.A NE.A ASP 64.A OD1 no hydrogen 3.361 N/A ARG 63.A NE.A ASP 64.A OD2 no hydrogen 3.000 N/A ARG 63.A NH2.A ASP 64.A OD1 no hydrogen 2.925 N/A GLU 65.A N GLU 65.A OE1 no hydrogen 2.697 N/A TYR 66.A N ASP 64.A OD1 no hydrogen 2.841 N/A ASP 67.A N ASP 64.A O no hydrogen 3.258 N/A LYS 69.A N HIS 85.A O no hydrogen 2.844 N/A TRP 71.A N ASP 84.A OD1 no hydrogen 2.814 N/A TRP 71.A NE1 VAL 74.A O no hydrogen 2.861 N/A VAL 74.A N ASP 72.A OD1 no hydrogen 3.034 N/A LYS 75.A NZ GLU 79.A OE1 no hydrogen 3.436 N/A ARG 76.A N ASN 82.A OD1 no hydrogen 2.810 N/A ARG 76.A NH1 ASP 72.A OD1 no hydrogen 3.024 N/A ARG 76.A NH2 ASP 72.A OD1 no hydrogen 3.515 N/A ARG 76.A NH2 ASP 72.A OD2 no hydrogen 2.832 N/A TRP 81.A N PHE 78.A O no hydrogen 2.879 N/A TRP 81.A NE1 GLU 93.A O no hydrogen 2.939 N/A ASN 82.A N GLU 79.A O no hydrogen 2.978 N/A ASN 82.A ND2 ARG 76.A O no hydrogen 3.522 N/A ASN 82.A ND2 GLU 79.A OE1 no hydrogen 2.816 N/A HIS 85.A N LYS 69.A O no hydrogen 3.193 N/A HIS 85.A ND1 SER 89.A OG no hydrogen 2.644 N/A HIS 85.A NE2 SER 80.A O no hydrogen 2.707 N/A THR 86.A N SER 89.A OG no hydrogen 2.900 N/A THR 86.A OG1 GLU 65.A O no hydrogen 3.079 N/A GLY 88.A N GLU 65.A O no hydrogen 2.894 N/A SER 89.A N THR 86.A OG1 no hydrogen 3.071 N/A SER 89.A OG HIS 85.A ND1 no hydrogen 2.644 N/A SER 89.A OG THR 86.A O no hydrogen 3.424 N/A ALA 90.A N THR 86.A O no hydrogen 2.844 N/A MET 91.A N LEU 87.A O no hydrogen 3.188 N/A ARG 92.A N GLY 88.A O no hydrogen 2.985 N/A GLU 93.A N SER 89.A O no hydrogen 2.784 N/A SER 94.A N MET 91.A O no hydrogen 3.278 N/A SER 94.A OG.B SER 47.A OG no hydrogen 2.987 N/A ALA 95.A N ALA 90.A O no hydrogen 2.874 N/A TRP 97.A NE1 TRP 81.A O no hydrogen 2.958 N/A TYR 98.A N ALA 95.A O no hydrogen 3.190 N/A TYR 98.A OH ASP 67.A O no hydrogen 2.656 N/A TYR 99.A OH LEU 87.A O no hydrogen 2.767 N/A GLN 100.A N ILE 96.A O no hydrogen 2.910 N/A GLN 100.A NE2 ASP 130.A O no hydrogen 2.942 N/A ALA 101.A N TRP 97.A O no hydrogen 3.153 N/A LEU 102.A N TYR 98.A O no hydrogen 3.058 N/A ALA 103.A N TYR 99.A O no hydrogen 2.869 N/A ARG 104.A N GLN 100.A O no hydrogen 3.021 N/A ARG 104.A NH1 ASP 130.A OD2 no hydrogen 2.776 N/A ASP 105.A N ALA 101.A O no hydrogen 3.125 N/A ILE 106.A N LEU 102.A O no hydrogen 2.914 N/A GLY 107.A N ALA 103.A O no hydrogen 2.903 N/A GLU 109.A N GLU 109.A OE1 no hydrogen 2.814 N/A ARG 110.A NE ILE 106.A O no hydrogen 2.780 N/A ARG 110.A NH2 ASP 105.A O no hydrogen 2.888 N/A ARG 110.A NH2 ILE 106.A O no hydrogen 3.534 N/A MET 111.A N GLY 107.A O no hydrogen 2.904 N/A LYS 112.A N GLU 108.A O no hydrogen 2.927 N/A LYS 112.A NZ GLU 123.A O no hydrogen 2.741 N/A THR 113.A N GLU 109.A O no hydrogen 3.197 N/A THR 113.A OG1 GLU 109.A O no hydrogen 3.308 N/A TRP 114.A N ARG 110.A O no hydrogen 3.040 N/A LEU 115.A N MET 111.A O no hydrogen 2.883 N/A HIS 116.A N LYS 112.A O no hydrogen 3.175 N/A HIS 116.A ND1 GLU 123.A OE1 no hydrogen 2.840 N/A HIS 116.A ND1 GLU 123.A OE2 no hydrogen 3.192 N/A THR 117.A N THR 113.A O no hydrogen 3.006 N/A THR 117.A OG1 THR 113.A O no hydrogen 3.462 N/A LEU 118.A N TRP 114.A O no hydrogen 2.897 N/A SER 119.A N HIS 116.A O no hydrogen 3.221 N/A TYR 120.A N LEU 115.A O no hydrogen 3.133 N/A GLY 121.A N SER 119.A O no hydrogen 3.165 N/A ASN 122.A N THR 139.A O no hydrogen 2.867 N/A ASN 122.A ND2 SER 137.A O no hydrogen 3.110 N/A GLU 123.A N TYR 120.A O no hydrogen 3.099 N/A ASP 124.A N ASN 122.A OD1 no hydrogen 3.074 N/A SER 126.A N ASP 124.A OD1 no hydrogen 2.941 N/A SER 126.A OG ASP 124.A OD1 no hydrogen 2.807 N/A GLY 127.A N SER 137.A OG no hydrogen 2.837 N/A GLY 128.A N ILE 125.A O no hydrogen 3.087 N/A GLN 131.A N GLY 128.A O no hydrogen 2.962 N/A GLN 131.A NE2 LEU 134.A O no hydrogen 2.954 N/A PHE 132.A N GLY 128.A O no hydrogen 2.958 N/A LEU 134.A N GLN 131.A O no hydrogen 2.927 N/A GLN 135.A N GLN 46.A OE1 no hydrogen 2.893 N/A SER 137.A OG ASP 124.A O no hydrogen 2.703 N/A LEU 138.A N PHE 132.A O no hydrogen 3.085 N/A THR 139.A N ASN 122.A OD1 no hydrogen 2.949 N/A ILE 140.A N GLN 43.A O no hydrogen 2.833 N/A SER 141.A N GLU 144.A OE1 no hydrogen 2.932 N/A LEU 143.A N ALA 39.A O no hydrogen 3.058 N/A GLU 144.A N SER 141.A OG no hydrogen 2.971 N/A GLN 145.A N SER 141.A O no hydrogen 2.880 N/A GLN 145.A NE2 THR 48.A OG1 no hydrogen 2.927 N/A GLU 146.A N PRO 142.A O no hydrogen 2.959 N/A THR 147.A N LEU 143.A O no hydrogen 3.015 N/A THR 147.A OG1 LEU 143.A O no hydrogen 3.194 N/A PHE 148.A N GLU 144.A O no hydrogen 3.116 N/A LEU 149.A N GLN 145.A O no hydrogen 2.882 N/A GLU 150.A N GLU 146.A O no hydrogen 2.814 N/A LYS 151.A N THR 147.A O no hydrogen 3.256 N/A LEU 152.A N PHE 148.A O no hydrogen 3.059 N/A ALA 153.A N LEU 149.A O no hydrogen 2.864 N/A LYS 154.A N GLU 150.A O no hydrogen 2.991 N/A LYS 154.A NZ GLU 150.A OE2 no hydrogen 2.845 N/A GLU 155.A N LEU 152.A O no hydrogen 2.962 N/A GLU 156.A N LYS 151.A O no hydrogen 2.878 N/A PHE 159.A N LEU 157.A O no hydrogen 2.855 N/A ASP 160.A N GLN 58.A OE1 no hydrogen 2.829 N/A LYS 161.A NZ GLU 155.A OE1 no hydrogen 2.683 N/A MET 164.A N ASP 160.A O no hydrogen 3.202 N/A LYS 165.A N LYS 161.A O no hydrogen 2.986 N/A LYS 165.A NZ GLU 155.A OE1 no hydrogen 3.404 N/A LYS 165.A NZ GLU 155.A OE2 no hydrogen 2.703 N/A ILE 166.A N PRO 162.A O no hydrogen 2.875 N/A VAL 167.A N VAL 163.A O no hydrogen 3.026 N/A LYS 168.A N MET 164.A O no hydrogen 2.933 N/A LYS 168.A NZ ALA 153.A O no hydrogen 2.960 N/A LYS 168.A NZ GLU 155.A OE2 no hydrogen 2.797 N/A ARG 169.A N LYS 165.A O no hydrogen 2.968 N/A ARG 169.A NH2 GLU 65.A OE2 no hydrogen 3.001 N/A MET 170.A N ILE 166.A O no hydrogen 2.924 N/A MET 171.A N VAL 167.A O no hydrogen 3.077 N/A MET 171.A N LYS 168.A O no hydrogen 2.989 N/A ILE 172.A N ARG 169.A O no hydrogen 3.116 N/A GLN 173.A N LEU 181.A O no hydrogen 2.750 N/A GLN 173.A NE2.A MET 171.A O no hydrogen 3.669 N/A GLN 173.A NE2.B GLY 183.A O no hydrogen 3.473 N/A GLU 174.A N LEU 181.A O no hydrogen 3.394 N/A GLY 176.A N TYR 179.A O no hydrogen 2.855 N/A ASP 177.A N SER 237.A OXT no hydrogen 2.666 N/A HIS 178.A N SER 237.A O no hydrogen 2.811 N/A HIS 178.A ND1 GLU 204.A OE2 no hydrogen 2.749 N/A TYR 179.A OH GLU 174.A OE2 no hydrogen 3.286 N/A THR 180.A N LYS 202.A O no hydrogen 2.899 N/A LEU 181.A N GLU 174.A O no hydrogen 2.878 N/A TYR 182.A N PHE 200.A O no hydrogen 2.857 N/A GLY 183.A N MET 171.A O no hydrogen 2.844 N/A LYS 184.A N VAL 198.A O no hydrogen 2.821 N/A LYS 184.A NZ SER 94.A OG.A no hydrogen 2.614 N/A LYS 184.A NZ SER 94.A OG.B no hydrogen 3.110 N/A LYS 184.A NZ THR 185.A O no hydrogen 2.859 N/A GLY 186.A N TRP 196.A O no hydrogen 2.985 N/A ARG 188.A N LEU 194.A O no hydrogen 2.898 N/A ARG 188.A NE ASP 191.A OD1 no hydrogen 2.961 N/A ARG 188.A NH1 ASP 191.A OD1 no hydrogen 3.453 N/A ARG 188.A NH1 ASP 191.A OD2 no hydrogen 3.103 N/A MET 192.A N ARG 188.A O no hydrogen 2.802 N/A GLY 193.A N ASP 191.A OD1 no hydrogen 2.971 N/A GLY 195.A N VAL 214.A O no hydrogen 2.879 N/A TRP 196.A N GLY 186.A O no hydrogen 2.792 N/A TRP 196.A NE1 THR 44.A O no hydrogen 2.879 N/A PHE 197.A N THR 212.A O no hydrogen 2.958 N/A VAL 198.A N LYS 184.A O no hydrogen 3.082 N/A GLY 199.A N PHE 210.A O no hydrogen 2.972 N/A PHE 200.A N TYR 182.A O no hydrogen 3.004 N/A ILE 201.A N TYR 208.A O no hydrogen 2.801 N/A LYS 202.A N THR 180.A O no hydrogen 2.927 N/A LYS 202.A NZ TYR 182.A OH no hydrogen 3.421 N/A THR 203.A N GLY 206.A O no hydrogen 3.151 N/A THR 203.A OG1 GLY 206.A O no hydrogen 2.703 N/A HIS 205.A N THR 203.A OG1 no hydrogen 2.885 N/A TYR 208.A N ILE 201.A O no hydrogen 2.945 N/A TYR 208.A OH LEU 3.A O no hydrogen 2.877 N/A VAL 209.A N HIS 24.A O no hydrogen 2.898 N/A PHE 210.A N GLY 199.A O no hydrogen 2.890 N/A VAL 211.A N ILE 22.A O no hydrogen 3.005 N/A THR 212.A N PHE 197.A O no hydrogen 2.904 N/A THR 212.A OG1 THR 225.A OG1 no hydrogen 2.708 N/A ASN 213.A N THR 20.A O no hydrogen 3.085 N/A ASN 213.A ND2 GLN 43.A OE1 no hydrogen 3.156 N/A VAL 214.A N GLY 195.A O no hydrogen 2.884 N/A ASP 215.A N ASP 18.A O no hydrogen 2.922 N/A SER 217.A N ASP 216.A OD1 no hydrogen 2.774 N/A GLY 218.A N THR 187.A OG1 no hydrogen 2.871 N/A LYS 220.A N SER 217.A OG no hydrogen 3.072 N/A ALA 221.A N SER 217.A O no hydrogen 3.058 N/A LYS 222.A N GLY 218.A O no hydrogen 2.854 N/A LYS 222.A NZ GLN 173.A OE1.A no hydrogen 2.797 N/A LYS 222.A NZ GLN 173.A OE1.B no hydrogen 2.910 N/A ASN 223.A N THR 219.A O no hydrogen 2.828 N/A ILE 224.A N LYS 220.A O no hydrogen 2.922 N/A THR 225.A N ALA 221.A O no hydrogen 3.016 N/A THR 225.A OG1 THR 212.A OG1 no hydrogen 2.708 N/A THR 225.A OG1 ALA 221.A O no hydrogen 2.774 N/A VAL 226.A N LYS 222.A O no hydrogen 2.868 N/A ASP 227.A N ASN 223.A O no hydrogen 2.982 N/A ILE 228.A N ILE 224.A O no hydrogen 3.007 N/A LEU 229.A N THR 225.A O no hydrogen 2.881 N/A LYS 230.A N VAL 226.A O no hydrogen 2.909 N/A LYS 231.A N ASP 227.A O no hydrogen 2.898 N/A LYS 231.A NZ GLU 13.A OE2 no hydrogen 2.854 N/A TYR 232.A N ILE 228.A O no hydrogen 2.971 N/A TYR 232.A OH ASN 9.A O no hydrogen 2.849 N/A GLY 233.A N LYS 230.A O no hydrogen 3.125 N/A LEU 234.A N LEU 229.A O no hydrogen 2.856 N/A ILE 235.A N LEU 229.A O no hydrogen 3.072 N/A