Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ws8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 6.A N GLY 2.A O no hydrogen 2.970 N/A THR 7.A N MET 3.A O no hydrogen 2.929 N/A ALA 8.A N ALA 4.A O no hydrogen 3.154 N/A ALA 8.A N SER 5.A O no hydrogen 3.227 N/A ARG 9.A N SER 5.A O no hydrogen 2.847 N/A ARG 9.A NE GLU 13.A OE2 no hydrogen 2.710 N/A ARG 9.A NH1 GLU 13.A OE1 no hydrogen 2.740 N/A ARG 9.A NH1 GLU 13.A OE2 no hydrogen 3.439 N/A GLU 13.A N PRO 10.A O no hydrogen 2.880 N/A LEU 14.A N LEU 11.A O no hydrogen 2.835 N/A VAL 15.A N LEU 11.A O no hydrogen 3.004 N/A GLU 16.A N PHE 58.A O no hydrogen 2.941 N/A GLY 18.A N GLU 16.A OE2 no hydrogen 2.957 N/A TRP 19.A N GLU 16.A OE1 no hydrogen 2.963 N/A ALA 20.A N GLU 16.A O no hydrogen 2.786 N/A ALA 21.A N ARG 17.A O no hydrogen 3.169 N/A ALA 22.A N GLY 18.A O no hydrogen 2.932 N/A LEU 23.A N TRP 19.A O no hydrogen 2.862 N/A GLU 24.A N ALA 21.A O no hydrogen 3.170 N/A VAL 26.A N LEU 23.A O no hydrogen 2.847 N/A ALA 27.A N GLU 24.A O no hydrogen 3.020 N/A GLN 29.A N.A GLN 29.A OE1.A no hydrogen 2.909 N/A VAL 30.A N VAL 26.A O no hydrogen 2.922 N/A ALA 31.A N ALA 27.A O no hydrogen 3.109 N/A HIS 32.A N ASP 28.A O no hydrogen 2.897 N/A MET 33.A N GLN 29.A O.A no hydrogen 2.891 N/A MET 33.A N GLN 29.A O.B no hydrogen 2.867 N/A GLY 34.A N VAL 30.A O no hydrogen 2.981 N/A GLN 35.A N.A ALA 31.A O no hydrogen 3.059 N/A GLN 35.A N.B ALA 31.A O no hydrogen 3.005 N/A PHE 36.A N HIS 32.A O no hydrogen 2.834 N/A LEU 37.A N MET 33.A O no hydrogen 2.973 N/A ARG 38.A N.A GLY 34.A O no hydrogen 2.959 N/A ARG 38.A N.B GLY 34.A O no hydrogen 2.922 N/A ARG 38.A NE.B GLN 35.A OE1.A no hydrogen 2.737 N/A ARG 38.A NH1.A GLN 35.A OE1.A no hydrogen 3.204 N/A ARG 38.A NH2.B GLN 35.A OE1.A no hydrogen 3.560 N/A ALA 39.A N GLN 35.A O.A no hydrogen 2.859 N/A ALA 39.A N GLN 35.A O.B no hydrogen 2.943 N/A GLU 40.A N PHE 36.A O no hydrogen 2.977 N/A ILE 41.A N LEU 37.A O no hydrogen 3.070 N/A ALA 42.A N ARG 38.A O.A no hydrogen 2.914 N/A ALA 42.A N ARG 38.A O.B no hydrogen 2.950 N/A ALA 43.A N ALA 39.A O no hydrogen 3.031 N/A GLY 44.A N ILE 41.A O no hydrogen 2.941 N/A ARG 45.A N GLU 40.A O no hydrogen 2.948 N/A ARG 45.A NE GLU 40.A OE2 no hydrogen 2.822 N/A ARG 45.A NH2 GLU 40.A OE1 no hydrogen 2.933 N/A LEU 48.A N VAL 137.A O no hydrogen 2.841 N/A ASN 53.A N ALA 50.A O no hydrogen 2.813 N/A VAL 54.A N GLY 51.A O no hydrogen 3.272 N/A ARG 56.A N ASN 53.A O no hydrogen 3.022 N/A ARG 56.A NH1 VAL 82.A O no hydrogen 3.131 N/A ARG 56.A NH2 THR 121.A OG1 no hydrogen 2.634 N/A PHE 58.A N LEU 55.A O no hydrogen 2.918 N/A THR 59.A N ARG 56.A O no hydrogen 2.979 N/A THR 59.A OG1 ARG 56.A O no hydrogen 2.680 N/A PHE 62.A N GLU 16.A OE1 no hydrogen 3.008 N/A ASN 64.A N PRO 61.A O no hydrogen 3.114 N/A VAL 65.A N PHE 62.A O no hydrogen 3.225 N/A ARG 66.A N GLY 127.A O no hydrogen 2.827 N/A ARG 66.A NE GLU 225.A O no hydrogen 2.747 N/A ARG 66.A NH1 ASN 64.A O no hydrogen 3.038 N/A ARG 66.A NH1 ARG 126.A O no hydrogen 3.272 N/A ARG 66.A NH2 ARG 126.A O no hydrogen 3.304 N/A ARG 66.A NH2 PRO 226.A O no hydrogen 3.259 N/A VAL 67.A N GLY 127.A O no hydrogen 3.160 N/A LEU 68.A N VAL 169.A O no hydrogen 2.861 N/A ILE 69.A N LEU 129.A O no hydrogen 2.884 N/A GLY 71.A N LEU 131.A O no hydrogen 2.949 N/A TYR 75.A OH PHE 86.A O no hydrogen 2.666 N/A HIS 80.A N THR 77.A O no hydrogen 3.127 N/A SER 85.A N LEU 130.A O no hydrogen 2.902 N/A SER 85.A OG ILE 69.A O no hydrogen 3.345 N/A SER 87.A N LEU 84.A O no hydrogen 3.234 N/A SER 87.A OG GLY 118.A O no hydrogen 3.478 N/A VAL 88.A N GLY 118.A O no hydrogen 2.996 N/A VAL 92.A N ALA 89.A O no hydrogen 3.141 N/A ALA 100.A N PRO 96.A O no hydrogen 2.918 N/A ASN 101.A N ARG 97.A O no hydrogen 2.946 N/A ASN 101.A ND2 PRO 197.A O no hydrogen 2.858 N/A ILE 102.A N SER 98.A O no hydrogen 2.966 N/A PHE 103.A N LEU 99.A O no hydrogen 2.889 N/A ASP 104.A N ALA 100.A O no hydrogen 2.871 N/A GLU 105.A N ASN 101.A O no hydrogen 3.105 N/A TYR 106.A N ILE 102.A O no hydrogen 2.856 N/A THR 107.A N.A PHE 103.A O no hydrogen 2.993 N/A THR 107.A N.B PHE 103.A O no hydrogen 2.975 N/A THR 107.A OG1.A TYR 112.A O no hydrogen 2.845 N/A THR 107.A OG1.B ASP 104.A O no hydrogen 2.543 N/A ALA 108.A N ASP 104.A O no hydrogen 2.937 N/A ASP 109.A N GLU 105.A O no hydrogen 2.764 N/A LEU 110.A N TYR 106.A O no hydrogen 2.930 N/A GLY 111.A N THR 107.A O.A no hydrogen 2.880 N/A GLY 111.A N THR 107.A O.B no hydrogen 2.831 N/A SER 116.A N PRO 232.A OXT no hydrogen 2.861 N/A SER 116.A OG PRO 232.A O no hydrogen 2.562 N/A SER 116.A OG PRO 232.A OXT no hydrogen 3.476 N/A ASP 119.A N ASN 117.A OD1 no hydrogen 2.965 N/A LEU 120.A N SER 87.A OG no hydrogen 2.856 N/A THR 121.A N ASP 119.A OD1 no hydrogen 2.956 N/A THR 121.A OG1 ASP 119.A OD1 no hydrogen 2.651 N/A TRP 123.A NE1 TRP 229.A O no hydrogen 2.851 N/A ALA 124.A N LEU 120.A O no hydrogen 3.376 N/A GLN 125.A N THR 121.A O no hydrogen 2.916 N/A ARG 126.A N TRP 123.A O no hydrogen 3.025 N/A ARG 126.A NH1 ASP 228.A O no hydrogen 2.738 N/A ARG 126.A NH1 ARG 230.A O no hydrogen 2.806 N/A GLY 127.A N ALA 124.A O no hydrogen 3.424 N/A VAL 128.A N TRP 123.A O no hydrogen 3.021 N/A LEU 129.A N VAL 67.A O no hydrogen 2.720 N/A LEU 131.A N ILE 69.A O no hydrogen 3.120 N/A ARG 133.A N GLY 71.A O no hydrogen 2.830 N/A ARG 133.A NE THR 154.A OG1 no hydrogen 2.931 N/A ARG 133.A NH1 GLU 151.A O no hydrogen 3.084 N/A ARG 133.A NH1 THR 154.A OG1 no hydrogen 3.233 N/A VAL 134.A N GLN 72.A O no hydrogen 2.985 N/A THR 136.A OG1 HIS 145.A ND1 no hydrogen 2.673 N/A VAL 137.A N LEU 48.A O no hydrogen 2.959 N/A ARG 138.A N SER 144.A OG no hydrogen 2.899 N/A SER 140.A N PRO 76.A O no hydrogen 2.789 N/A ASN 141.A N ARG 138.A O no hydrogen 3.077 N/A ASN 141.A ND2 PRO 139.A O no hydrogen 2.860 N/A ALA 143.A N ASP 73.A OD2.B no hydrogen 2.742 N/A SER 144.A N ASN 141.A O no hydrogen 3.082 N/A SER 144.A OG ASN 141.A O no hydrogen 2.626 N/A HIS 145.A ND1 THR 136.A OG1 no hydrogen 2.673 N/A ARG 146.A N ALA 143.A O no hydrogen 3.133 N/A ARG 146.A NE ASP 73.A OD1.A no hydrogen 3.126 N/A ARG 146.A NE ASP 73.A OD2.A no hydrogen 3.403 N/A ARG 146.A NH1 ASP 73.A OD1.A no hydrogen 3.224 N/A GLY 147.A N GLU 151.A OE2 no hydrogen 2.904 N/A LYS 148.A N HIS 145.A O no hydrogen 3.348 N/A TRP 150.A NE1 THR 136.A OG1 no hydrogen 2.832 N/A GLU 151.A N GLU 151.A OE1 no hydrogen 2.773 N/A THR 154.A N TRP 150.A O no hydrogen 2.988 N/A THR 154.A OG1 ARG 133.A O no hydrogen 2.718 N/A THR 154.A OG1 TRP 150.A O no hydrogen 3.405 N/A THR 154.A OG1 GLU 151.A O no hydrogen 3.359 N/A GLU 155.A N GLU 151.A O no hydrogen 2.830 N/A CYS 156.A N ALA 152.A O no hydrogen 3.043 N/A CYS 156.A SG ALA 22.A O no hydrogen 3.559 N/A ALA 157.A N VAL 153.A O no hydrogen 3.089 N/A ILE 158.A N THR 154.A O no hydrogen 3.004 N/A ARG 159.A N GLU 155.A O no hydrogen 2.867 N/A ARG 159.A NH1 GLU 155.A OE1 no hydrogen 2.941 N/A ALA 160.A N CYS 156.A O no hydrogen 2.982 N/A LEU 161.A N ALA 157.A O no hydrogen 3.135 N/A ALA 162.A N ILE 158.A O no hydrogen 2.895 N/A ALA 163.A N ARG 159.A O no hydrogen 2.897 N/A ARG 164.A N LEU 161.A O no hydrogen 3.333 N/A ARG 164.A NE.A LEU 161.A O no hydrogen 3.009 N/A ARG 164.A NH1.A VAL 65.A O no hydrogen 2.857 N/A ARG 164.A NH1.B PHE 62.A O no hydrogen 3.374 N/A ARG 164.A NH2.A VAL 65.A O no hydrogen 3.019 N/A ARG 164.A NH2.B PHE 62.A O no hydrogen 2.713 N/A VAL 169.A N ARG 66.A O no hydrogen 2.992 N/A ALA 170.A N VAL 190.A O.A no hydrogen 2.840 N/A ALA 170.A N VAL 190.A O.B no hydrogen 2.880 N/A ILE 171.A N LEU 68.A O no hydrogen 2.814 N/A LEU 172.A N ILE 192.A O no hydrogen 2.781 N/A GLY 174.A N SER 194.A O no hydrogen 2.904 N/A SER 178.A N.A GLY 174.A O no hydrogen 3.315 N/A SER 178.A N.B GLY 174.A O no hydrogen 3.287 N/A SER 178.A N.B ARG 175.A O no hydrogen 3.141 N/A SER 178.A OG.A GLU 193.A OE2 no hydrogen 2.358 N/A SER 178.A OG.B ARG 175.A O no hydrogen 2.498 N/A THR 179.A N ASP 176.A O no hydrogen 3.223 N/A THR 179.A OG1 ASP 176.A O no hydrogen 2.653 N/A LEU 180.A N ALA 177.A O no hydrogen 3.100 N/A LYS 181.A N.A SER 178.A O.A no hydrogen 3.340 N/A LYS 181.A N.A SER 178.A O.B no hydrogen 3.181 N/A LYS 181.A N.B SER 178.A O.A no hydrogen 3.298 N/A LYS 181.A N.B SER 178.A O.B no hydrogen 3.139 N/A LYS 181.A NZ.A GLU 193.A OE1 no hydrogen 2.857 N/A LYS 181.A NZ.A GLU 193.A OE2 no hydrogen 2.833 N/A LYS 181.A NZ.B GLU 193.A OE1 no hydrogen 2.737 N/A LEU 184.A N LEU 180.A O no hydrogen 3.261 N/A ALA 185.A N LYS 181.A O.A no hydrogen 2.828 N/A ALA 185.A N LYS 181.A O.B no hydrogen 2.839 N/A ALA 186.A N PRO 182.A O no hydrogen 3.258 N/A GLY 187.A N MET 183.A O no hydrogen 3.116 N/A ASN 188.A N ALA 185.A O no hydrogen 3.115 N/A CYS 189.A N.A LEU 184.A O no hydrogen 3.056 N/A CYS 189.A N.B LEU 184.A O no hydrogen 2.992 N/A CYS 189.A SG.A ALA 162.A O no hydrogen 3.853 N/A CYS 189.A SG.A LEU 184.A O no hydrogen 3.603 N/A CYS 189.A SG.B LEU 168.A O no hydrogen 3.652 N/A CYS 189.A SG.B VAL 190.A O.A no hydrogen 3.421 N/A CYS 189.A SG.B VAL 190.A O.B no hydrogen 3.437 N/A VAL 190.A N.A LEU 168.A O no hydrogen 3.075 N/A VAL 190.A N.B LEU 168.A O no hydrogen 3.198 N/A ILE 192.A N ALA 170.A O no hydrogen 2.815 N/A SER 194.A N LEU 172.A O no hydrogen 3.156 N/A SER 194.A OG PRO 195.A O no hydrogen 2.818 N/A SER 198.A N HIS 196.A ND1 no hydrogen 2.884 N/A LEU 200.A N SER 198.A OG no hydrogen 3.055 N/A SER 201.A N SER 198.A O no hydrogen 2.942 N/A SER 201.A OG HIS 196.A O no hydrogen 2.688 N/A SER 201.A OG SER 198.A O no hydrogen 3.511 N/A ALA 202.A N SER 198.A O no hydrogen 2.839 N/A ARG 204.A N SER 201.A O no hydrogen 2.963 N/A GLY 205.A N ALA 202.A O no hydrogen 3.322 N/A PHE 206.A N ALA 202.A O no hydrogen 2.897 N/A PHE 207.A N ALA 202.A O no hydrogen 3.227 N/A GLY 208.A N GLU 105.A OE1 no hydrogen 2.822 N/A SER 209.A N PHE 206.A O no hydrogen 3.053 N/A SER 209.A OG PHE 206.A O no hydrogen 2.654 N/A ARG 210.A N GLU 105.A OE2 no hydrogen 2.796 N/A ARG 210.A NE ASP 109.A OD1 no hydrogen 2.871 N/A ARG 210.A NH2 ASP 109.A O no hydrogen 2.897 N/A ARG 210.A NH2 ASP 109.A OD1 no hydrogen 3.357 N/A PHE 212.A N ASP 109.A OD2 no hydrogen 3.035 N/A SER 213.A N ASP 109.A OD2 no hydrogen 2.937 N/A SER 213.A OG ASP 109.A OD1 no hydrogen 2.569 N/A SER 213.A OG ASP 109.A OD2 no hydrogen 3.411 N/A ARG 214.A N ARG 210.A O no hydrogen 3.136 N/A ARG 214.A NH2 SER 209.A O no hydrogen 2.798 N/A ALA 215.A N PRO 211.A O no hydrogen 2.896 N/A ASN 216.A N PHE 212.A O no hydrogen 3.169 N/A ASN 216.A ND2 ILE 227.A O no hydrogen 2.933 N/A GLU 217.A N SER 213.A O no hydrogen 2.951 N/A LEU 218.A N ARG 214.A O no hydrogen 2.939 N/A LEU 219.A N ALA 215.A O no hydrogen 2.871 N/A VAL 220.A N ASN 216.A O no hydrogen 2.907 N/A GLY 221.A N GLU 217.A O no hydrogen 2.978 N/A MET 222.A N LEU 218.A O no hydrogen 3.024 N/A GLY 223.A N VAL 220.A O no hydrogen 3.040 N/A ALA 224.A N LEU 219.A O no hydrogen 2.873 N/A ILE 227.A N ASN 216.A OD1 no hydrogen 2.799 N/A TRP 229.A NE1 PHE 212.A O no hydrogen 3.129 N/A ARG 230.A N ASP 228.A OD1 no hydrogen 3.080 N/A LEU 231.A N TYR 106.A OH no hydrogen 2.890 N/A