Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wsh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 36.A OE2 no hydrogen 2.370 N/A LYS 2.A N GLU 5.A OE2 no hydrogen 3.083 N/A ALA 3.A N LYS 35.A O no hydrogen 3.010 N/A LYS 4.A N LEU 33.A O no hydrogen 2.901 N/A LYS 4.A NZ ASP 34.A OD1 no hydrogen 3.090 N/A GLU 5.A N LYS 2.A O no hydrogen 2.899 N/A ILE 6.A N LYS 2.A O no hydrogen 3.175 N/A ILE 7.A N ALA 3.A O no hydrogen 2.972 N/A GLU 8.A N LYS 4.A O no hydrogen 2.812 N/A PHE 9.A N GLU 5.A O no hydrogen 3.094 N/A ILE 10.A N ILE 6.A O no hydrogen 2.974 N/A GLU 11.A N ILE 7.A O no hydrogen 2.906 N/A THR 12.A N GLU 8.A O no hydrogen 3.081 N/A THR 12.A N PHE 9.A O no hydrogen 3.265 N/A THR 12.A OG1 GLU 8.A O no hydrogen 2.794 N/A PHE 13.A N PHE 9.A O no hydrogen 3.296 N/A ALA 14.A N ILE 10.A O no hydrogen 2.715 N/A LEU 18.A N PRO 15.A O no hydrogen 3.082 N/A ALA 19.A N LYS 16.A O no hydrogen 3.194 N/A ILE 20.A N THR 99.A OG1 no hydrogen 3.092 N/A ASP 23.A N ILE 20.A O no hydrogen 3.264 N/A ASN 24.A ND2 LEU 69.A O no hydrogen 2.880 N/A ILE 25.A N ASP 23.A O no hydrogen 2.949 N/A GLY 26.A N SER 96.A O no hydrogen 2.891 N/A GLN 28.A N LEU 94.A O no hydrogen 2.759 N/A GLN 28.A NE2 ASN 24.A O no hydrogen 2.952 N/A GLN 28.A NE2 GLY 26.A O no hydrogen 3.211 N/A VAL 29.A N LEU 94.A O no hydrogen 3.186 N/A ASP 34.A N ASN 32.A OD1 no hydrogen 2.796 N/A LYS 35.A NZ ASP 60.A O no hydrogen 3.360 N/A LYS 35.A NZ ASP 91.A O no hydrogen 2.674 N/A ILE 37.A N MET 1.A O no hydrogen 2.959 N/A LYS 38.A N ASP 60.A OD2 no hydrogen 2.783 N/A LYS 38.A NZ GLU 36.A OE1 no hydrogen 2.760 N/A LYS 39.A N ASP 60.A OD2 no hydrogen 3.349 N/A LYS 39.A NZ GLU 57.A O no hydrogen 3.102 N/A LEU 40.A N GLU 238.A O no hydrogen 2.828 N/A GLY 41.A N PHE 61.A O no hydrogen 2.929 N/A ILE 42.A N ILE 240.A O no hydrogen 2.932 N/A ALA 43.A N PHE 63.A O no hydrogen 2.822 N/A LEU 44.A N ASP 243.A OD1 no hydrogen 2.773 N/A ASP 45.A N ASP 243.A OD2 no hydrogen 2.992 N/A SER 47.A OG SER 49.A OG no hydrogen 3.297 N/A SER 49.A OG SER 47.A OG no hydrogen 3.297 N/A VAL 50.A N SER 47.A OG no hydrogen 3.106 N/A ILE 51.A N SER 47.A O no hydrogen 3.030 N/A LYS 52.A N LEU 48.A O no hydrogen 2.837 N/A LYS 53.A N SER 49.A O no hydrogen 2.782 N/A LYS 53.A NZ LEU 242.A O no hydrogen 3.186 N/A ALA 54.A N VAL 50.A O no hydrogen 2.750 N/A GLU 55.A N ILE 51.A O no hydrogen 3.047 N/A LYS 56.A N LYS 52.A O no hydrogen 3.175 N/A GLU 57.A N LYS 53.A O no hydrogen 3.035 N/A GLY 58.A N GLU 55.A O no hydrogen 3.199 N/A VAL 59.A N ALA 54.A O no hydrogen 2.954 N/A ASP 60.A N LYS 39.A O no hydrogen 2.905 N/A PHE 61.A N LYS 39.A O no hydrogen 3.387 N/A LEU 62.A N ILE 93.A O no hydrogen 2.627 N/A PHE 63.A N GLY 41.A O no hydrogen 2.691 N/A THR 64.A N TYR 95.A O no hydrogen 2.961 N/A THR 64.A OG1 HIS 66.A O no hydrogen 2.641 N/A THR 64.A OG1 SER 96.A OG no hydrogen 2.992 N/A HIS 65.A N ALA 43.A O no hydrogen 3.102 N/A HIS 65.A ND1 ALA 97.A O no hydrogen 3.103 N/A HIS 65.A NE2 GLU 220.A OE2 no hydrogen 2.870 N/A HIS 66.A N LEU 44.A O no hydrogen 3.010 N/A HIS 66.A ND1 ASP 45.A OD1 no hydrogen 2.552 N/A LEU 68.A N GLN 28.A OE1 no hydrogen 2.842 N/A TYR 81.A N THR 77.A O no hydrogen 3.300 N/A LYS 82.A N GLY 78.A O no hydrogen 3.232 N/A LYS 83.A N VAL 79.A O no hydrogen 2.948 N/A LYS 83.A NZ PRO 46.A O no hydrogen 2.893 N/A LEU 84.A N ILE 80.A O no hydrogen 3.040 N/A LYS 85.A N TYR 81.A O no hydrogen 2.866 N/A ILE 86.A N LYS 82.A O no hydrogen 3.234 N/A LEU 87.A N LYS 83.A O no hydrogen 3.119 N/A MET 88.A N LEU 84.A O no hydrogen 2.846 N/A GLU 89.A N LYS 85.A O no hydrogen 2.969 N/A ASN 90.A N ILE 86.A O no hydrogen 3.330 N/A ASN 90.A ND2 GLU 55.A OE1 no hydrogen 3.213 N/A ASN 90.A ND2 ILE 86.A O no hydrogen 2.877 N/A ASP 91.A N MET 88.A O no hydrogen 3.260 N/A ILE 92.A N LEU 87.A O no hydrogen 2.724 N/A ILE 93.A N ASP 60.A O no hydrogen 3.212 N/A LEU 94.A N VAL 29.A O no hydrogen 2.807 N/A TYR 95.A N LEU 62.A O no hydrogen 2.995 N/A TYR 95.A OH GLU 11.A OE2 no hydrogen 2.875 N/A SER 96.A N GLY 26.A O no hydrogen 2.914 N/A SER 96.A OG THR 64.A O no hydrogen 3.372 N/A SER 96.A OG THR 64.A OG1 no hydrogen 2.992 N/A SER 96.A OG HIS 66.A O no hydrogen 3.307 N/A HIS 98.A ND1 ASP 23.A OD1 no hydrogen 2.709 N/A THR 99.A N ASP 23.A OD2 no hydrogen 2.852 N/A THR 99.A OG1 ASP 23.A OD2 no hydrogen 2.583 N/A ASN 100.A ND2 ALA 14.A O no hydrogen 3.037 N/A LEU 101.A N HIS 98.A O no hydrogen 2.901 N/A ASP 102.A N HIS 98.A O no hydrogen 3.201 N/A ILE 103.A N THR 99.A O no hydrogen 2.934 N/A CYS 104.A N ASN 100.A O no hydrogen 3.148 N/A CYS 104.A SG LEU 101.A O no hydrogen 3.702 N/A CYS 104.A SG LYS 105.A O no hydrogen 4.029 N/A ASN 106.A N ASP 110.A OD2 no hydrogen 2.866 N/A GLY 107.A N CYS 104.A O no hydrogen 3.234 N/A LEU 108.A N LEU 101.A O no hydrogen 3.098 N/A ASN 109.A N ASP 102.A O no hydrogen 3.351 N/A ASN 109.A ND2 ASP 102.A O no hydrogen 2.896 N/A ALA 111.A N GLY 107.A O no hydrogen 2.835 N/A ALA 113.A N ASN 109.A O no hydrogen 3.002 N/A GLU 114.A N ASP 110.A O no hydrogen 2.750 N/A LEU 115.A N ALA 111.A O no hydrogen 3.010 N/A TYR 116.A N LEU 112.A O no hydrogen 3.208 N/A TYR 116.A OH THR 146.A OG1 no hydrogen 2.547 N/A ASN 117.A N GLU 114.A O no hydrogen 3.244 N/A LEU 118.A N ALA 113.A O no hydrogen 3.093 N/A GLU 119.A N ILE 134.A O no hydrogen 2.874 N/A LYS 122.A N VAL 132.A O no hydrogen 2.892 N/A LEU 124.A N GLY 130.A O no hydrogen 2.976 N/A TYR 125.A N LEU 129.A O no hydrogen 3.033 N/A LEU 129.A N ASN 127.A OD1 no hydrogen 2.863 N/A ARG 131.A N VAL 170.A O no hydrogen 2.874 N/A ARG 131.A NE ASP 110.A OD1 no hydrogen 2.941 N/A ARG 131.A NH1 GLY 128.A O no hydrogen 2.975 N/A ARG 131.A NH1 GLY 130.A O no hydrogen 2.696 N/A ARG 131.A NH2 ILE 103.A O no hydrogen 2.891 N/A VAL 132.A N LYS 122.A O no hydrogen 2.855 N/A GLY 133.A N LEU 168.A O no hydrogen 3.074 N/A ILE 134.A N GLU 119.A O no hydrogen 3.319 N/A PHE 135.A N PHE 166.A O no hydrogen 2.801 N/A LYS 136.A NZ GLU 119.A OE1 no hydrogen 3.392 N/A SER 138.A N GLU 141.A OE2 no hydrogen 2.782 N/A GLU 141.A N SER 138.A OG no hydrogen 3.222 N/A PHE 142.A N SER 138.A O no hydrogen 3.104 N/A LEU 143.A N PHE 139.A O no hydrogen 2.940 N/A GLU 144.A N GLU 140.A O no hydrogen 2.992 N/A ILE 145.A N GLU 141.A O no hydrogen 3.117 N/A THR 146.A N PHE 142.A O no hydrogen 3.089 N/A THR 146.A OG1 TYR 116.A OH no hydrogen 2.547 N/A THR 146.A OG1 PHE 142.A O no hydrogen 2.935 N/A LYS 147.A N LEU 143.A O no hydrogen 2.891 N/A LYS 148.A N GLU 144.A O no hydrogen 3.164 N/A LYS 148.A N ILE 145.A O no hydrogen 3.199 N/A TYR 149.A N ILE 145.A O no hydrogen 2.970 N/A ILE 150.A N THR 146.A O no hydrogen 2.958 N/A HIS 151.A N THR 146.A O no hydrogen 3.001 N/A LYS 152.A NZ LYS 147.A O no hydrogen 3.117 N/A ASN 153.A N HIS 151.A ND1 no hydrogen 3.005 N/A ILE 155.A N ASP 213.A O no hydrogen 2.959 N/A VAL 157.A N VAL 211.A O no hydrogen 2.782 N/A SER 159.A N VAL 157.A O no hydrogen 2.964 N/A SER 159.A OG ALA 204.A O no hydrogen 3.098 N/A SER 159.A OG LEU 209.A O no hydrogen 2.667 N/A ASN 165.A N GLY 137.A O no hydrogen 2.995 N/A LYS 167.A N ASP 189.A OD2 no hydrogen 2.926 N/A LEU 168.A N GLY 133.A O no hydrogen 2.721 N/A ALA 169.A N VAL 190.A O no hydrogen 2.897 N/A VAL 170.A N ARG 131.A O no hydrogen 2.709 N/A LEU 171.A N LEU 192.A O no hydrogen 3.038 N/A SER 172.A N ASN 109.A OD1 no hydrogen 2.951 N/A SER 172.A OG ASP 102.A OD1 no hydrogen 3.049 N/A SER 172.A OG ASN 109.A OD1 no hydrogen 3.208 N/A GLY 173.A N THR 219.A OG1 no hydrogen 3.139 N/A SER 177.A OG SER 179.A OG no hydrogen 3.396 N/A SER 177.A OG SER 180.A OG no hydrogen 3.262 N/A SER 179.A OG SER 177.A OG no hydrogen 3.396 N/A SER 180.A N SER 177.A OG no hydrogen 3.292 N/A SER 180.A OG TYR 125.A OH no hydrogen 2.874 N/A SER 180.A OG SER 177.A OG no hydrogen 3.262 N/A ILE 181.A N SER 177.A O no hydrogen 3.026 N/A LYS 182.A N GLN 178.A O no hydrogen 3.168 N/A TYR 183.A N SER 179.A O no hydrogen 2.915 N/A TYR 183.A OH LEU 124.A O no hydrogen 2.964 N/A VAL 184.A N SER 180.A O no hydrogen 2.746 N/A ALA 185.A N ILE 181.A O no hydrogen 2.916 N/A GLU 186.A N TYR 183.A O no hydrogen 3.150 N/A LYS 187.A N VAL 184.A O no hydrogen 2.789 N/A LYS 187.A NZ TYR 183.A OH no hydrogen 3.336 N/A ASP 189.A N LYS 167.A O no hydrogen 2.898 N/A VAL 190.A N LYS 167.A O no hydrogen 3.255 N/A TYR 191.A N VAL 210.A O no hydrogen 2.755 N/A TYR 191.A OH GLY 175.A O no hydrogen 2.752 N/A LEU 192.A N ALA 169.A O no hydrogen 2.864 N/A SER 193.A N VAL 212.A O no hydrogen 3.082 N/A SER 193.A OG LEU 171.A O no hydrogen 2.702 N/A SER 193.A OG GLY 173.A O no hydrogen 3.202 N/A LEU 196.A N ASP 213.A OD2 no hydrogen 2.865 N/A SER 200.A OG LEU 176.A O no hydrogen 2.638 N/A LYS 201.A N THR 197.A O no hydrogen 3.019 N/A LYS 201.A NZ GLU 205.A OE2 no hydrogen 2.422 N/A ILE 202.A N HIS 198.A O no hydrogen 3.061 N/A LEU 203.A N HIS 199.A O no hydrogen 3.185 N/A ALA 204.A N SER 200.A O no hydrogen 3.010 N/A GLU 205.A N LYS 201.A O no hydrogen 3.161 N/A GLU 206.A N ILE 202.A O no hydrogen 3.056 N/A LEU 207.A N LEU 203.A O no hydrogen 3.032 N/A GLY 208.A N GLU 205.A O no hydrogen 3.291 N/A LEU 209.A N ALA 204.A O no hydrogen 3.074 N/A VAL 210.A N ASP 189.A O no hydrogen 3.100 N/A VAL 211.A N VAL 157.A O no hydrogen 3.188 N/A VAL 212.A N TYR 191.A O no hydrogen 2.836 N/A ASP 213.A N ILE 155.A O no hydrogen 2.842 N/A ALA 214.A N SER 193.A O no hydrogen 2.960 N/A THR 215.A N ASP 213.A OD1 no hydrogen 2.767 N/A THR 215.A OG1 ALA 214.A O no hydrogen 2.448 N/A HIS 216.A ND1 ASP 195.A OD2 no hydrogen 2.885 N/A HIS 216.A NE2 HIS 66.A NE2 no hydrogen 3.200 N/A TYR 217.A OH ASP 243.A O no hydrogen 2.655 N/A SER 218.A N THR 215.A OG1 no hydrogen 3.082 N/A SER 218.A OG THR 215.A OG1 no hydrogen 3.225 N/A THR 219.A N THR 215.A O no hydrogen 3.188 N/A THR 219.A OG1 THR 215.A O no hydrogen 3.143 N/A THR 219.A OG1 HIS 216.A O no hydrogen 3.392 N/A GLU 220.A N TYR 217.A O no hydrogen 3.141 N/A VAL 221.A N TYR 217.A O no hydrogen 2.957 N/A PHE 222.A N SER 218.A O no hydrogen 3.267 N/A LEU 224.A N GLU 220.A O no hydrogen 2.935 N/A LYS 225.A N VAL 221.A O no hydrogen 2.787 N/A PHE 227.A N GLY 223.A O no hydrogen 3.038 N/A LYS 228.A N LEU 224.A O no hydrogen 2.811 N/A GLU 229.A N LYS 225.A O no hydrogen 3.032 N/A PHE 230.A N LYS 226.A O no hydrogen 2.989 N/A LEU 231.A N PHE 227.A O no hydrogen 2.971 N/A SER 232.A N LYS 228.A O no hydrogen 3.071 N/A SER 232.A OG LYS 228.A O no hydrogen 3.283 N/A SER 233.A N GLU 229.A O no hydrogen 3.016 N/A SER 233.A OG GLU 229.A O no hydrogen 3.070 N/A ASN 234.A N LEU 231.A O no hydrogen 3.292 N/A ASN 234.A ND2 PHE 230.A O no hydrogen 2.722 N/A LEU 235.A N LEU 231.A O no hydrogen 2.881 N/A ILE 240.A N LEU 40.A O no hydrogen 2.961 N/A SER 241.A OG PHE 244.A OXT no hydrogen 2.785 N/A LEU 242.A N ILE 42.A O no hydrogen 3.002 N/A