Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ws1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N PRO 2.A O no hydrogen 2.955 N/A LEU 6.A N LEU 3.A O no hydrogen 2.776 N/A VAL 7.A N LEU 3.A O no hydrogen 2.896 N/A GLU 8.A N PHE 50.A O no hydrogen 2.983 N/A GLY 10.A N GLU 8.A OE2 no hydrogen 3.241 N/A TRP 11.A N GLU 8.A OE1 no hydrogen 2.927 N/A ALA 12.A N GLU 8.A O no hydrogen 2.795 N/A ALA 13.A N ARG 9.A O no hydrogen 2.992 N/A ALA 14.A N GLY 10.A O no hydrogen 2.957 N/A LEU 15.A N TRP 11.A O no hydrogen 2.797 N/A GLU 16.A N ALA 13.A O no hydrogen 3.385 N/A VAL 18.A N LEU 15.A O no hydrogen 2.842 N/A ALA 19.A N GLU 16.A O no hydrogen 3.001 N/A GLN 21.A N GLN 21.A OE1.B no hydrogen 2.881 N/A VAL 22.A N VAL 18.A O no hydrogen 2.979 N/A ALA 23.A N ALA 19.A O no hydrogen 2.981 N/A HIS 24.A N ASP 20.A O no hydrogen 2.838 N/A MET 25.A N GLN 21.A O no hydrogen 2.882 N/A GLY 26.A N VAL 22.A O no hydrogen 2.989 N/A GLN 27.A N ALA 23.A O no hydrogen 3.036 N/A PHE 28.A N HIS 24.A O no hydrogen 2.861 N/A LEU 29.A N MET 25.A O no hydrogen 2.895 N/A ARG 30.A N GLY 26.A O no hydrogen 2.999 N/A ALA 31.A N GLN 27.A O no hydrogen 2.872 N/A GLU 32.A N PHE 28.A O no hydrogen 2.872 N/A ILE 33.A N LEU 29.A O no hydrogen 3.089 N/A ALA 34.A N ARG 30.A O no hydrogen 2.960 N/A ALA 35.A N ALA 31.A O no hydrogen 3.054 N/A ALA 35.A N GLU 32.A O no hydrogen 3.044 N/A GLY 36.A N ILE 33.A O no hydrogen 2.909 N/A ARG 37.A N GLU 32.A O no hydrogen 2.875 N/A ARG 37.A NE GLU 32.A OE1 no hydrogen 2.830 N/A ARG 37.A NE GLU 32.A OE2 no hydrogen 3.472 N/A ARG 37.A NH2 GLU 32.A OE2 no hydrogen 2.960 N/A LEU 40.A N VAL 129.A O no hydrogen 2.790 N/A ASN 45.A N ALA 42.A O no hydrogen 2.784 N/A VAL 46.A N GLY 43.A O no hydrogen 3.290 N/A ARG 48.A N ASN 45.A O no hydrogen 2.957 N/A ARG 48.A NH1 VAL 74.A O no hydrogen 3.125 N/A PHE 50.A N LEU 47.A O no hydrogen 2.909 N/A THR 51.A N ARG 48.A O no hydrogen 2.929 N/A THR 51.A OG1 ARG 48.A O no hydrogen 2.678 N/A PHE 54.A N GLU 8.A OE1 no hydrogen 3.085 N/A ASN 56.A N PRO 53.A O no hydrogen 2.957 N/A VAL 57.A N PHE 54.A O no hydrogen 3.272 N/A ARG 58.A N GLY 119.A O no hydrogen 2.769 N/A ARG 58.A NE GLU 217.A O no hydrogen 3.111 N/A ARG 58.A NH2 GLU 217.A O no hydrogen 3.201 N/A ARG 58.A NH2 PRO 218.A O no hydrogen 3.304 N/A VAL 59.A N GLY 119.A O no hydrogen 3.148 N/A LEU 60.A N VAL 161.A O no hydrogen 2.887 N/A ILE 61.A N LEU 121.A O no hydrogen 2.809 N/A VAL 62.A N ILE 163.A O no hydrogen 2.940 N/A GLY 63.A N LEU 123.A O no hydrogen 2.906 N/A TYR 67.A OH PHE 78.A O no hydrogen 2.668 N/A HIS 72.A N THR 69.A O no hydrogen 3.140 N/A SER 77.A N LEU 122.A O no hydrogen 2.947 N/A SER 77.A OG LEU 123.A O no hydrogen 2.980 N/A SER 79.A N LEU 76.A O no hydrogen 3.180 N/A SER 79.A OG GLY 110.A O no hydrogen 3.498 N/A VAL 80.A N GLY 110.A O no hydrogen 2.985 N/A VAL 84.A N ALA 81.A O no hydrogen 3.068 N/A ALA 92.A N PRO 88.A O no hydrogen 2.894 N/A ASN 93.A N ARG 89.A O no hydrogen 2.941 N/A ASN 93.A ND2 PRO 189.A O no hydrogen 2.803 N/A ILE 94.A N SER 90.A O no hydrogen 2.852 N/A PHE 95.A N LEU 91.A O no hydrogen 2.905 N/A ASP 96.A N ALA 92.A O no hydrogen 2.972 N/A GLU 97.A N ASN 93.A O no hydrogen 3.049 N/A TYR 98.A N ILE 94.A O no hydrogen 2.827 N/A THR 99.A N PHE 95.A O no hydrogen 2.867 N/A THR 99.A OG1 ASP 96.A O no hydrogen 3.241 N/A ALA 100.A N ASP 96.A O no hydrogen 2.934 N/A ASP 101.A N GLU 97.A O no hydrogen 2.767 N/A LEU 102.A N TYR 98.A O no hydrogen 2.885 N/A GLY 103.A N THR 99.A O no hydrogen 2.858 N/A SER 108.A N PRO 224.A OXT no hydrogen 2.806 N/A SER 108.A OG PRO 224.A O no hydrogen 2.656 N/A SER 108.A OG PRO 224.A OXT no hydrogen 3.397 N/A ASP 111.A N ASN 109.A OD1 no hydrogen 2.888 N/A LEU 112.A N SER 79.A OG no hydrogen 2.865 N/A THR 113.A N.A ASP 111.A OD1 no hydrogen 3.020 N/A THR 113.A N.B ASP 111.A OD1 no hydrogen 2.994 N/A THR 113.A OG1.B ASP 111.A OD1 no hydrogen 2.720 N/A TRP 115.A N LEU 112.A O no hydrogen 2.874 N/A TRP 115.A NE1 TRP 221.A O no hydrogen 2.842 N/A ALA 116.A N LEU 112.A O no hydrogen 3.308 N/A GLN 117.A N THR 113.A O.A no hydrogen 2.885 N/A GLN 117.A N THR 113.A O.B no hydrogen 2.968 N/A ARG 118.A N TRP 115.A O no hydrogen 3.040 N/A ARG 118.A NH1 ASP 220.A O no hydrogen 2.789 N/A ARG 118.A NH1 ARG 222.A O no hydrogen 2.799 N/A GLY 119.A N ALA 116.A O no hydrogen 3.444 N/A VAL 120.A N TRP 115.A O no hydrogen 3.020 N/A LEU 121.A N VAL 59.A O no hydrogen 2.832 N/A LEU 123.A N ILE 61.A O no hydrogen 2.881 N/A ARG 125.A N GLY 63.A O no hydrogen 2.902 N/A ARG 125.A NH1 GLU 143.A O no hydrogen 2.857 N/A ARG 125.A NH1 THR 146.A OG1 no hydrogen 2.976 N/A VAL 126.A N GLN 64.A O no hydrogen 3.088 N/A THR 128.A OG1 HIS 137.A ND1 no hydrogen 2.665 N/A VAL 129.A N LEU 40.A O no hydrogen 2.967 N/A ARG 130.A N SER 136.A OG no hydrogen 2.948 N/A SER 132.A N PRO 68.A O no hydrogen 2.801 N/A ASN 133.A N ARG 130.A O no hydrogen 3.099 N/A ASN 133.A ND2 PRO 131.A O no hydrogen 2.825 N/A SER 136.A N ASN 133.A O no hydrogen 3.156 N/A SER 136.A OG ASN 133.A O no hydrogen 2.605 N/A HIS 137.A ND1 THR 128.A OG1 no hydrogen 2.665 N/A ARG 138.A N ALA 135.A O no hydrogen 3.181 N/A ARG 138.A NE ASP 65.A OD1 no hydrogen 3.182 N/A ARG 138.A NE ASP 65.A OD2 no hydrogen 3.186 N/A ARG 138.A NH1 ASP 168.A OD1 no hydrogen 2.724 N/A ARG 138.A NH2 ASP 65.A OD1 no hydrogen 3.058 N/A ARG 138.A NH2 ASP 168.A OD1 no hydrogen 3.499 N/A ARG 138.A NH2 ASP 168.A OD2 no hydrogen 2.943 N/A GLY 139.A N GLU 143.A OE2 no hydrogen 2.907 N/A LYS 140.A N HIS 137.A O no hydrogen 3.265 N/A TRP 142.A NE1 THR 128.A OG1 no hydrogen 2.826 N/A GLU 143.A N GLU 143.A OE1 no hydrogen 2.782 N/A THR 146.A N TRP 142.A O no hydrogen 2.930 N/A THR 146.A OG1 ARG 125.A O no hydrogen 2.718 N/A THR 146.A OG1 TRP 142.A O no hydrogen 3.529 N/A THR 146.A OG1 GLU 143.A O no hydrogen 3.506 N/A GLU 147.A N GLU 143.A O no hydrogen 2.877 N/A CYS 148.A N ALA 144.A O no hydrogen 3.033 N/A CYS 148.A SG ALA 14.A O no hydrogen 3.581 N/A ALA 149.A N VAL 145.A O no hydrogen 3.009 N/A ILE 150.A N THR 146.A O no hydrogen 2.972 N/A ARG 151.A N GLU 147.A O no hydrogen 2.903 N/A ARG 151.A NE GLU 147.A OE2 no hydrogen 2.866 N/A ARG 151.A NH1 GLU 147.A OE2 no hydrogen 3.448 N/A ALA 152.A N CYS 148.A O no hydrogen 2.858 N/A LEU 153.A N ALA 149.A O no hydrogen 3.035 N/A ALA 154.A N ILE 150.A O no hydrogen 2.954 N/A ALA 155.A N ARG 151.A O no hydrogen 2.894 N/A ARG 156.A N LEU 153.A O no hydrogen 3.148 N/A ARG 156.A NE LEU 153.A O no hydrogen 3.021 N/A ARG 156.A NH1 VAL 57.A O no hydrogen 2.916 N/A ARG 156.A NH2 VAL 57.A O no hydrogen 2.858 N/A ALA 157.A N ALA 154.A O no hydrogen 3.169 N/A LEU 160.A N ASN 180.A O no hydrogen 2.868 N/A VAL 161.A N ARG 58.A O no hydrogen 3.038 N/A ALA 162.A N VAL 182.A O no hydrogen 2.800 N/A ILE 163.A N LEU 60.A O no hydrogen 2.741 N/A LEU 164.A N ILE 184.A O no hydrogen 2.901 N/A TRP 165.A N VAL 62.A O no hydrogen 3.109 N/A GLY 166.A N SER 186.A O no hydrogen 2.942 N/A ARG 167.A N GLN 64.A OE1 no hydrogen 2.941 N/A ALA 169.A N GLY 166.A O no hydrogen 3.217 N/A THR 171.A N ASP 168.A O no hydrogen 3.092 N/A LEU 172.A N ASP 168.A O no hydrogen 3.031 N/A LEU 172.A N ALA 169.A O no hydrogen 3.100 N/A LYS 173.A N ALA 169.A O no hydrogen 2.936 N/A LYS 173.A NZ GLU 185.A OE2 no hydrogen 3.363 N/A MET 175.A N LEU 172.A O no hydrogen 2.960 N/A LEU 176.A N LYS 173.A O no hydrogen 2.899 N/A ALA 177.A N PRO 174.A O no hydrogen 3.318 N/A ASN 180.A ND2 ALA 157.A O no hydrogen 2.907 N/A CYS 181.A N.A ALA 178.A O no hydrogen 3.142 N/A CYS 181.A N.B ALA 178.A O no hydrogen 3.174 N/A CYS 181.A SG.A ALA 154.A O no hydrogen 3.678 N/A CYS 181.A SG.A GLY 179.A O no hydrogen 3.649 N/A CYS 181.A SG.B LEU 176.A O no hydrogen 3.198 N/A VAL 182.A N LEU 160.A O no hydrogen 3.006 N/A ILE 184.A N ALA 162.A O no hydrogen 2.835 N/A SER 186.A N LEU 164.A O no hydrogen 2.998 N/A SER 186.A OG PRO 187.A O no hydrogen 2.857 N/A SER 190.A N HIS 188.A ND1 no hydrogen 2.881 N/A SER 190.A OG SER 193.A OG no hydrogen 2.838 N/A SER 193.A N SER 190.A O no hydrogen 3.109 N/A SER 193.A OG HIS 188.A O no hydrogen 2.589 N/A SER 193.A OG SER 190.A O no hydrogen 3.437 N/A SER 193.A OG SER 190.A OG no hydrogen 2.838 N/A ALA 194.A N SER 190.A O no hydrogen 2.899 N/A ARG 196.A N SER 193.A O no hydrogen 2.934 N/A ARG 196.A NE LEU 192.A O no hydrogen 2.736 N/A ARG 196.A NH2 LEU 192.A O no hydrogen 2.945 N/A GLY 197.A N ALA 194.A O no hydrogen 3.414 N/A PHE 199.A N ALA 194.A O no hydrogen 3.060 N/A GLY 200.A N GLU 97.A OE1 no hydrogen 2.812 N/A SER 201.A N PHE 198.A O no hydrogen 3.070 N/A SER 201.A OG PHE 198.A O no hydrogen 2.678 N/A ARG 202.A N GLU 97.A OE2 no hydrogen 2.802 N/A ARG 202.A NH2 GLU 97.A OE2 no hydrogen 2.865 N/A SER 205.A N ASP 101.A OD2 no hydrogen 2.966 N/A SER 205.A OG ASP 101.A OD1 no hydrogen 2.541 N/A SER 205.A OG ASP 101.A OD2 no hydrogen 3.423 N/A ARG 206.A N ARG 202.A O no hydrogen 3.204 N/A ALA 207.A N PRO 203.A O no hydrogen 2.898 N/A ASN 208.A N PHE 204.A O no hydrogen 3.201 N/A ASN 208.A ND2 ILE 219.A O no hydrogen 2.930 N/A GLU 209.A N SER 205.A O no hydrogen 2.922 N/A LEU 210.A N ARG 206.A O no hydrogen 2.976 N/A LEU 211.A N ALA 207.A O no hydrogen 2.892 N/A VAL 212.A N ASN 208.A O no hydrogen 2.935 N/A GLY 213.A N GLU 209.A O no hydrogen 2.902 N/A MET 214.A N LEU 210.A O no hydrogen 3.232 N/A MET 214.A N LEU 211.A O no hydrogen 2.976 N/A GLY 215.A N VAL 212.A O no hydrogen 2.880 N/A ALA 216.A N LEU 211.A O no hydrogen 2.924 N/A ILE 219.A N ASN 208.A OD1 no hydrogen 2.790 N/A TRP 221.A NE1 PHE 204.A O no hydrogen 3.104 N/A ARG 222.A N ASP 220.A OD1 no hydrogen 3.045 N/A ARG 222.A NE.A ASP 220.A OD1 no hydrogen 2.798 N/A ARG 222.A NE.A ASP 220.A OD2 no hydrogen 3.327 N/A ARG 222.A NH2.A ASP 220.A OD2 no hydrogen 2.929 N/A LEU 223.A N TYR 98.A OH no hydrogen 2.896 N/A