Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ws3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N PRO 2.A O no hydrogen 2.898 N/A LEU 6.A N LEU 3.A O no hydrogen 2.852 N/A VAL 7.A N LEU 3.A O no hydrogen 3.013 N/A GLU 8.A N PHE 50.A O no hydrogen 2.988 N/A GLY 10.A N GLU 8.A OE2 no hydrogen 2.973 N/A TRP 11.A N GLU 8.A OE1 no hydrogen 3.021 N/A ALA 12.A N GLU 8.A O no hydrogen 2.818 N/A ALA 13.A N ARG 9.A O no hydrogen 3.203 N/A ALA 14.A N GLY 10.A O no hydrogen 2.982 N/A LEU 15.A N TRP 11.A O no hydrogen 2.789 N/A GLU 16.A N ALA 13.A O no hydrogen 3.165 N/A VAL 18.A N LEU 15.A O no hydrogen 2.838 N/A ALA 19.A N GLU 16.A O no hydrogen 3.050 N/A GLN 21.A NE2 GLY 141.A O no hydrogen 2.980 N/A VAL 22.A N VAL 18.A O no hydrogen 2.824 N/A ALA 23.A N ALA 19.A O no hydrogen 3.075 N/A HIS 24.A N ASP 20.A O no hydrogen 2.850 N/A MET 25.A N GLN 21.A O no hydrogen 2.858 N/A GLY 26.A N VAL 22.A O no hydrogen 2.970 N/A GLN 27.A N ALA 23.A O no hydrogen 3.028 N/A PHE 28.A N HIS 24.A O no hydrogen 2.860 N/A LEU 29.A N MET 25.A O no hydrogen 2.933 N/A ARG 30.A N GLY 26.A O no hydrogen 3.030 N/A ALA 31.A N GLN 27.A O no hydrogen 2.932 N/A GLU 32.A N PHE 28.A O no hydrogen 2.925 N/A ILE 33.A N.A LEU 29.A O no hydrogen 3.167 N/A ILE 33.A N.B LEU 29.A O no hydrogen 3.174 N/A ALA 34.A N ARG 30.A O no hydrogen 2.912 N/A ALA 35.A N ALA 31.A O no hydrogen 2.848 N/A GLY 36.A N ILE 33.A O.A no hydrogen 2.978 N/A GLY 36.A N ILE 33.A O.B no hydrogen 2.961 N/A ARG 37.A N GLU 32.A O no hydrogen 2.980 N/A ARG 37.A NE GLU 32.A OE2 no hydrogen 2.789 N/A ARG 37.A NH2 GLU 32.A OE1 no hydrogen 2.964 N/A LEU 40.A N VAL 129.A O no hydrogen 2.837 N/A ASN 45.A N ALA 42.A O no hydrogen 2.800 N/A VAL 46.A N GLY 43.A O no hydrogen 3.207 N/A ARG 48.A N ASN 45.A O no hydrogen 2.997 N/A ARG 48.A NH1 VAL 74.A O no hydrogen 3.268 N/A ARG 48.A NH2 THR 113.A OG1 no hydrogen 2.853 N/A PHE 50.A N LEU 47.A O no hydrogen 2.922 N/A THR 51.A N ARG 48.A O no hydrogen 2.988 N/A THR 51.A OG1 ARG 48.A O no hydrogen 2.679 N/A PHE 54.A N GLU 8.A OE1 no hydrogen 3.016 N/A ASN 56.A N.A PRO 53.A O no hydrogen 3.093 N/A ASN 56.A N.B PRO 53.A O no hydrogen 2.986 N/A VAL 57.A N PHE 54.A O no hydrogen 3.190 N/A ARG 58.A N GLY 119.A O no hydrogen 2.835 N/A ARG 58.A NE GLU 217.A O no hydrogen 2.908 N/A ARG 58.A NH1 ASN 56.A O.A no hydrogen 3.400 N/A ARG 58.A NH1 ASN 56.A O.B no hydrogen 3.546 N/A ARG 58.A NH1 ARG 118.A O no hydrogen 3.282 N/A ARG 58.A NH2 PRO 218.A O no hydrogen 3.027 N/A VAL 59.A N GLY 119.A O no hydrogen 3.251 N/A LEU 60.A N VAL 161.A O no hydrogen 2.800 N/A ILE 61.A N LEU 121.A O no hydrogen 2.905 N/A VAL 62.A N ILE 163.A O no hydrogen 2.921 N/A GLY 63.A N LEU 123.A O no hydrogen 2.789 N/A GLN 64.A NE2 ASP 168.A OD2 no hydrogen 3.027 N/A TYR 67.A OH PHE 78.A O no hydrogen 2.688 N/A HIS 72.A N THR 69.A O no hydrogen 3.202 N/A SER 77.A N LEU 122.A O no hydrogen 2.908 N/A SER 77.A OG LEU 123.A O no hydrogen 3.326 N/A SER 79.A N LEU 76.A O no hydrogen 3.164 N/A SER 79.A OG GLY 110.A O no hydrogen 3.558 N/A VAL 80.A N GLY 110.A O no hydrogen 3.037 N/A VAL 84.A N ALA 81.A O no hydrogen 3.067 N/A ARG 85.A NH1 ASP 83.A O no hydrogen 2.609 N/A ARG 89.A NH1.B ASN 93.A OD1 no hydrogen 2.785 N/A ALA 92.A N PRO 88.A O no hydrogen 2.930 N/A ASN 93.A N ARG 89.A O no hydrogen 2.925 N/A ASN 93.A ND2 PRO 191.A O no hydrogen 2.917 N/A ILE 94.A N SER 90.A O no hydrogen 2.913 N/A PHE 95.A N LEU 91.A O no hydrogen 2.897 N/A ASP 96.A N ALA 92.A O no hydrogen 2.926 N/A GLU 97.A N ASN 93.A O no hydrogen 3.050 N/A TYR 98.A N ILE 94.A O no hydrogen 2.837 N/A THR 99.A N PHE 95.A O no hydrogen 2.989 N/A THR 99.A OG1 PHE 95.A O no hydrogen 3.493 N/A THR 99.A OG1 ASP 96.A O no hydrogen 3.037 N/A ALA 100.A N ASP 96.A O no hydrogen 3.272 N/A ASP 101.A N GLU 97.A O no hydrogen 2.782 N/A LEU 102.A N TYR 98.A O no hydrogen 3.018 N/A GLY 103.A N THR 99.A O no hydrogen 2.841 N/A SER 108.A N PRO 224.A OXT no hydrogen 2.756 N/A SER 108.A OG PRO 224.A O no hydrogen 2.502 N/A ASP 111.A N ASN 109.A OD1 no hydrogen 2.934 N/A LEU 112.A N SER 79.A OG no hydrogen 2.869 N/A THR 113.A N ASP 111.A OD1 no hydrogen 2.944 N/A THR 113.A OG1 ASP 111.A OD1 no hydrogen 2.666 N/A TRP 115.A NE1 TRP 221.A O no hydrogen 2.862 N/A ALA 116.A N LEU 112.A O no hydrogen 3.312 N/A GLN 117.A N THR 113.A O no hydrogen 2.857 N/A ARG 118.A N TRP 115.A O no hydrogen 3.055 N/A ARG 118.A NH1 ASP 220.A O no hydrogen 2.669 N/A ARG 118.A NH1 ARG 222.A O no hydrogen 2.709 N/A ARG 118.A NH2 ARG 222.A O no hydrogen 3.119 N/A GLY 119.A N ALA 116.A O no hydrogen 3.371 N/A VAL 120.A N TRP 115.A O no hydrogen 3.018 N/A LEU 121.A N VAL 59.A O no hydrogen 2.821 N/A LEU 123.A N ILE 61.A O no hydrogen 2.916 N/A ARG 125.A N.A GLY 63.A O no hydrogen 2.959 N/A ARG 125.A N.B GLY 63.A O no hydrogen 2.934 N/A ARG 125.A NH1.A GLU 143.A O no hydrogen 2.984 N/A ARG 125.A NH1.A THR 146.A OG1 no hydrogen 3.009 N/A ARG 125.A NH1.B ASP 168.A OD2 no hydrogen 2.700 N/A VAL 126.A N GLN 64.A O no hydrogen 2.960 N/A THR 128.A OG1 HIS 137.A ND1 no hydrogen 2.735 N/A VAL 129.A N LEU 40.A O no hydrogen 2.933 N/A ARG 130.A N SER 136.A OG no hydrogen 2.863 N/A SER 132.A N PRO 68.A O no hydrogen 2.834 N/A ASN 133.A N ARG 130.A O no hydrogen 3.053 N/A ASN 133.A ND2 PRO 131.A O no hydrogen 2.908 N/A SER 136.A N ASN 133.A O no hydrogen 3.122 N/A SER 136.A OG ASN 133.A O no hydrogen 2.707 N/A HIS 137.A ND1 THR 128.A OG1 no hydrogen 2.735 N/A ARG 138.A N ALA 135.A O no hydrogen 3.179 N/A ARG 138.A NH1 ASP 65.A OD2.A no hydrogen 3.066 N/A GLY 139.A N GLU 143.A OE2 no hydrogen 2.886 N/A LYS 140.A N HIS 137.A O no hydrogen 3.244 N/A TRP 142.A NE1 THR 128.A OG1 no hydrogen 2.800 N/A GLU 143.A N GLU 143.A OE1 no hydrogen 2.802 N/A THR 146.A N TRP 142.A O no hydrogen 2.978 N/A THR 146.A OG1 ARG 125.A O.A no hydrogen 2.701 N/A THR 146.A OG1 ARG 125.A O.B no hydrogen 2.699 N/A THR 146.A OG1 TRP 142.A O no hydrogen 3.497 N/A THR 146.A OG1 GLU 143.A O no hydrogen 3.435 N/A GLU 147.A N GLU 143.A O no hydrogen 2.894 N/A CYS 148.A N ALA 144.A O no hydrogen 3.002 N/A CYS 148.A SG ALA 14.A O no hydrogen 3.615 N/A ALA 149.A N VAL 145.A O no hydrogen 3.069 N/A ILE 150.A N THR 146.A O no hydrogen 2.974 N/A ARG 151.A N GLU 147.A O no hydrogen 2.907 N/A ARG 151.A NE GLU 147.A OE1 no hydrogen 2.815 N/A ARG 151.A NH1 GLU 147.A OE1 no hydrogen 3.007 N/A ALA 152.A N CYS 148.A O no hydrogen 2.874 N/A LEU 153.A N ALA 149.A O no hydrogen 3.078 N/A ALA 154.A N ILE 150.A O no hydrogen 3.064 N/A ALA 155.A N ARG 151.A O no hydrogen 3.055 N/A ALA 155.A N ALA 152.A O no hydrogen 3.257 N/A ARG 156.A N LEU 153.A O no hydrogen 3.198 N/A ARG 156.A NE LEU 153.A O no hydrogen 3.096 N/A ARG 156.A NH1 VAL 57.A O no hydrogen 2.876 N/A ARG 156.A NH2 VAL 57.A O no hydrogen 2.796 N/A LEU 160.A N CYS 181.A O.A no hydrogen 2.941 N/A LEU 160.A N CYS 181.A O.B no hydrogen 2.862 N/A VAL 161.A N ARG 58.A O no hydrogen 2.978 N/A ALA 162.A N ALA 183.A O no hydrogen 2.867 N/A ILE 163.A N LEU 60.A O no hydrogen 2.776 N/A TRP 165.A N VAL 62.A O no hydrogen 2.810 N/A ASP 168.A N GLN 64.A OE1 no hydrogen 3.098 N/A ALA 169.A N GLY 166.A O no hydrogen 3.254 N/A THR 171.A N ASP 168.A O no hydrogen 2.748 N/A LEU 172.A N ASP 168.A O no hydrogen 3.114 N/A LEU 172.A N ALA 169.A O no hydrogen 3.113 N/A LYS 173.A N ALA 169.A O no hydrogen 3.062 N/A MET 175.A N LEU 172.A O no hydrogen 2.964 N/A LEU 176.A N LYS 173.A O no hydrogen 3.066 N/A ALA 177.A N PRO 174.A O no hydrogen 3.216 N/A ALA 183.A N LEU 160.A O no hydrogen 2.848 N/A GLU 185.A N ALA 162.A O no hydrogen 2.884 N/A SER 186.A OG.A HIS 188.A NE2 no hydrogen 2.959 N/A SER 190.A N SER 193.A OG no hydrogen 3.014 N/A SER 193.A N SER 190.A O no hydrogen 2.840 N/A SER 193.A OG SER 190.A O no hydrogen 3.037 N/A ALA 194.A N PRO 191.A O no hydrogen 3.113 N/A ARG 196.A N SER 193.A O no hydrogen 2.897 N/A PHE 198.A N ALA 194.A O no hydrogen 2.988 N/A PHE 199.A N ALA 194.A O no hydrogen 2.955 N/A GLY 200.A N GLU 97.A OE1 no hydrogen 2.782 N/A SER 201.A N PHE 198.A O no hydrogen 3.035 N/A SER 201.A OG PHE 198.A O no hydrogen 2.646 N/A ARG 202.A N GLU 97.A OE2 no hydrogen 2.862 N/A PHE 204.A N ASP 101.A OD2 no hydrogen 3.028 N/A SER 205.A N ASP 101.A OD2 no hydrogen 2.890 N/A SER 205.A OG ASP 101.A OD1 no hydrogen 2.519 N/A SER 205.A OG ASP 101.A OD2 no hydrogen 3.414 N/A SER 205.A OG ARG 202.A O no hydrogen 3.558 N/A ARG 206.A N ARG 202.A O no hydrogen 3.038 N/A ARG 206.A NH1 SER 186.A O.A no hydrogen 2.877 N/A ARG 206.A NH1 SER 186.A O.B no hydrogen 2.870 N/A ARG 206.A NH1 SER 186.A O.C no hydrogen 2.821 N/A ARG 206.A NH2 SER 201.A O no hydrogen 2.918 N/A ALA 207.A N PRO 203.A O no hydrogen 3.076 N/A ASN 208.A N PHE 204.A O no hydrogen 3.174 N/A ASN 208.A ND2 ILE 219.A O no hydrogen 2.963 N/A GLU 209.A N SER 205.A O no hydrogen 2.907 N/A LEU 210.A N ARG 206.A O no hydrogen 2.923 N/A LEU 211.A N ALA 207.A O no hydrogen 2.832 N/A VAL 212.A N ASN 208.A O no hydrogen 2.904 N/A GLY 213.A N GLU 209.A O no hydrogen 3.006 N/A MET 214.A N LEU 210.A O no hydrogen 3.055 N/A MET 214.A N LEU 211.A O no hydrogen 3.026 N/A GLY 215.A N VAL 212.A O no hydrogen 2.915 N/A ALA 216.A N LEU 211.A O no hydrogen 2.864 N/A ILE 219.A N ASN 208.A OD1 no hydrogen 2.812 N/A ARG 222.A N ASP 220.A OD1 no hydrogen 3.030 N/A ARG 222.A NH2 ASP 220.A OD1 no hydrogen 2.877 N/A LEU 223.A N TYR 98.A OH no hydrogen 2.883 N/A