Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wsd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 2.A N ASP 239.A O no hydrogen 2.841 N/A MET 4.A N ILE 40.A O no hydrogen 3.119 N/A LYS 5.A N GLU 8.A OE2 no hydrogen 3.243 N/A LYS 5.A NZ GLU 39.A OE2 no hydrogen 2.892 N/A ALA 6.A N LYS 38.A O no hydrogen 3.022 N/A LYS 7.A N LEU 36.A O no hydrogen 2.995 N/A LYS 7.A NZ ASP 37.A OD1 no hydrogen 2.763 N/A GLU 8.A N LYS 5.A O no hydrogen 3.085 N/A ILE 9.A N LYS 5.A O no hydrogen 3.332 N/A ILE 10.A N ALA 6.A O no hydrogen 3.000 N/A GLU 11.A N LYS 7.A O no hydrogen 2.979 N/A PHE 12.A N GLU 8.A O no hydrogen 3.039 N/A ILE 13.A N ILE 9.A O no hydrogen 2.975 N/A GLU 14.A N ILE 10.A O no hydrogen 2.964 N/A THR 15.A N GLU 11.A O no hydrogen 2.981 N/A THR 15.A N PHE 12.A O no hydrogen 3.276 N/A THR 15.A OG1 GLU 11.A O no hydrogen 2.720 N/A PHE 16.A N PHE 12.A O no hydrogen 3.257 N/A ALA 17.A N ILE 13.A O no hydrogen 2.767 N/A LEU 21.A N PRO 18.A O no hydrogen 3.203 N/A ALA 22.A N LYS 19.A O no hydrogen 3.034 N/A ILE 23.A N THR 102.A OG1 no hydrogen 3.095 N/A ASP 26.A N ILE 23.A O no hydrogen 3.200 N/A ASN 27.A ND2 LEU 72.A O no hydrogen 2.985 N/A ILE 28.A N ASP 26.A O no hydrogen 2.894 N/A GLY 29.A N SER 99.A O no hydrogen 2.805 N/A GLN 31.A N LEU 97.A O no hydrogen 2.784 N/A GLN 31.A NE2 ASN 27.A O no hydrogen 3.111 N/A GLN 31.A NE2 GLY 29.A O no hydrogen 3.222 N/A VAL 32.A N LEU 97.A O no hydrogen 3.039 N/A ASP 37.A N ASN 35.A OD1 no hydrogen 3.146 N/A LYS 38.A NZ ASP 94.A O no hydrogen 3.105 N/A ILE 40.A N MET 4.A O no hydrogen 2.713 N/A LYS 41.A N ASP 63.A OD2 no hydrogen 2.834 N/A LYS 42.A N ASP 63.A OD2 no hydrogen 3.055 N/A LYS 42.A NZ GLU 60.A O no hydrogen 2.709 N/A LEU 43.A N GLU 241.A O no hydrogen 2.858 N/A GLY 44.A N PHE 64.A O no hydrogen 2.866 N/A ILE 45.A N ILE 243.A O no hydrogen 2.846 N/A ALA 46.A N PHE 66.A O no hydrogen 2.849 N/A LEU 47.A N ASP 246.A OD1 no hydrogen 2.898 N/A LEU 47.A N ASP 246.A OD2 no hydrogen 3.074 N/A ASP 48.A N ASP 246.A OD2 no hydrogen 3.072 N/A SER 50.A OG SER 52.A OG no hydrogen 3.345 N/A SER 52.A OG SER 50.A OG no hydrogen 3.345 N/A VAL 53.A N SER 50.A OG no hydrogen 3.094 N/A ILE 54.A N SER 50.A O no hydrogen 2.994 N/A LYS 55.A N LEU 51.A O no hydrogen 2.919 N/A LYS 56.A N SER 52.A O no hydrogen 2.987 N/A LYS 56.A NZ LEU 245.A O no hydrogen 3.072 N/A ALA 57.A N VAL 53.A O no hydrogen 2.888 N/A GLU 58.A N ILE 54.A O no hydrogen 3.142 N/A LYS 59.A N LYS 55.A O no hydrogen 2.963 N/A GLU 60.A N LYS 56.A O no hydrogen 2.855 N/A GLY 61.A N GLU 58.A O no hydrogen 3.442 N/A VAL 62.A N ALA 57.A O no hydrogen 2.859 N/A ASP 63.A N LYS 42.A O no hydrogen 3.017 N/A PHE 64.A N LYS 42.A O no hydrogen 3.351 N/A LEU 65.A N ILE 96.A O no hydrogen 2.675 N/A PHE 66.A N GLY 44.A O no hydrogen 2.693 N/A THR 67.A N TYR 98.A O no hydrogen 2.996 N/A THR 67.A OG1 HIS 69.A O no hydrogen 2.853 N/A THR 67.A OG1 SER 99.A OG no hydrogen 2.945 N/A HIS 68.A N ALA 46.A O no hydrogen 3.185 N/A HIS 68.A ND1 ALA 100.A O no hydrogen 3.034 N/A HIS 68.A NE2 GLU 223.A OE2 no hydrogen 3.102 N/A HIS 69.A N LEU 47.A O no hydrogen 3.098 N/A LEU 71.A N GLN 31.A OE1 no hydrogen 2.932 N/A TYR 84.A N THR 80.A O no hydrogen 3.369 N/A LYS 85.A N GLY 81.A O no hydrogen 2.992 N/A LYS 86.A N VAL 82.A O no hydrogen 2.932 N/A LYS 86.A NZ PRO 49.A O no hydrogen 2.786 N/A LEU 87.A N ILE 83.A O no hydrogen 3.026 N/A LYS 88.A N TYR 84.A O no hydrogen 2.997 N/A LYS 88.A NZ GLU 92.A OE2 no hydrogen 2.474 N/A ILE 89.A N LYS 85.A O no hydrogen 3.328 N/A LEU 90.A N LYS 86.A O no hydrogen 3.011 N/A MET 91.A N LEU 87.A O no hydrogen 2.761 N/A GLU 92.A N LYS 88.A O no hydrogen 2.914 N/A ASN 93.A N ILE 89.A O no hydrogen 3.253 N/A ASN 93.A ND2 GLU 58.A OE2 no hydrogen 2.982 N/A ASN 93.A ND2 ILE 89.A O no hydrogen 2.746 N/A ASP 94.A N MET 91.A O no hydrogen 3.088 N/A ILE 95.A N LEU 90.A O no hydrogen 2.751 N/A ILE 96.A N ASP 63.A O no hydrogen 2.992 N/A LEU 97.A N VAL 32.A O no hydrogen 2.825 N/A TYR 98.A N LEU 65.A O no hydrogen 2.938 N/A TYR 98.A OH GLU 14.A OE2 no hydrogen 2.690 N/A SER 99.A N GLY 29.A O no hydrogen 2.872 N/A SER 99.A OG THR 67.A O no hydrogen 3.436 N/A SER 99.A OG THR 67.A OG1 no hydrogen 2.945 N/A SER 99.A OG HIS 69.A O no hydrogen 3.491 N/A ALA 100.A N THR 67.A O no hydrogen 3.366 N/A HIS 101.A ND1 ASP 26.A OD1 no hydrogen 2.880 N/A THR 102.A N ASP 26.A OD2 no hydrogen 2.905 N/A THR 102.A OG1 ASP 26.A OD2 no hydrogen 2.609 N/A ASN 103.A ND2 ALA 17.A O no hydrogen 2.994 N/A LEU 104.A N HIS 101.A O no hydrogen 2.916 N/A ASP 105.A N HIS 101.A O no hydrogen 3.209 N/A ILE 106.A N THR 102.A O no hydrogen 3.058 N/A CYS 107.A N ASN 103.A O no hydrogen 3.321 N/A CYS 107.A SG PHE 16.A O no hydrogen 3.535 N/A CYS 107.A SG ASN 103.A O no hydrogen 3.439 N/A CYS 107.A SG LEU 104.A O no hydrogen 3.834 N/A CYS 107.A SG LYS 108.A O no hydrogen 3.744 N/A ASN 109.A N ASP 113.A OD2 no hydrogen 2.897 N/A GLY 110.A N CYS 107.A O no hydrogen 3.009 N/A LEU 111.A N LEU 104.A O no hydrogen 2.959 N/A ASN 112.A N ASP 105.A O no hydrogen 3.389 N/A ASN 112.A ND2 ASP 105.A O no hydrogen 2.931 N/A ALA 114.A N GLY 110.A O no hydrogen 2.959 N/A LEU 115.A N LEU 111.A O no hydrogen 3.463 N/A ALA 116.A N ASN 112.A O no hydrogen 3.043 N/A GLU 117.A N ASP 113.A O no hydrogen 2.893 N/A LEU 118.A N ALA 114.A O no hydrogen 3.090 N/A TYR 119.A N LEU 115.A O no hydrogen 3.071 N/A TYR 119.A OH THR 149.A OG1 no hydrogen 2.692 N/A ASN 120.A N GLU 117.A O no hydrogen 3.047 N/A LEU 121.A N ALA 116.A O no hydrogen 3.078 N/A GLU 122.A N ILE 137.A O no hydrogen 2.978 N/A LYS 125.A N VAL 135.A O no hydrogen 2.761 N/A LEU 127.A N GLY 133.A O no hydrogen 2.977 N/A TYR 128.A N LEU 132.A O no hydrogen 2.942 N/A GLY 131.A N TYR 128.A O no hydrogen 3.068 N/A LEU 132.A N ASN 130.A OD1 no hydrogen 2.991 N/A ARG 134.A N VAL 173.A O no hydrogen 3.047 N/A ARG 134.A NE ASP 113.A OD1 no hydrogen 2.812 N/A ARG 134.A NH1 GLY 131.A O no hydrogen 2.965 N/A ARG 134.A NH1 GLY 133.A O no hydrogen 2.836 N/A ARG 134.A NH2 ILE 106.A O no hydrogen 2.741 N/A VAL 135.A N LYS 125.A O no hydrogen 2.724 N/A GLY 136.A N LEU 171.A O no hydrogen 3.086 N/A ILE 137.A N GLU 122.A O no hydrogen 3.260 N/A PHE 138.A N PHE 169.A O no hydrogen 2.863 N/A GLY 140.A N PHE 138.A O no hydrogen 3.070 N/A SER 141.A N GLU 144.A OE1 no hydrogen 3.121 N/A GLU 144.A N SER 141.A OG no hydrogen 3.212 N/A PHE 145.A N SER 141.A O no hydrogen 3.158 N/A LEU 146.A N PHE 142.A O no hydrogen 3.006 N/A GLU 147.A N GLU 143.A O no hydrogen 3.179 N/A ILE 148.A N GLU 144.A O no hydrogen 3.146 N/A THR 149.A N PHE 145.A O no hydrogen 3.043 N/A THR 149.A OG1 TYR 119.A OH no hydrogen 2.692 N/A THR 149.A OG1 PHE 145.A O no hydrogen 2.929 N/A LYS 150.A N LEU 146.A O no hydrogen 2.834 N/A LYS 151.A N GLU 147.A O no hydrogen 2.838 N/A LYS 151.A NZ TYR 152.A OH no hydrogen 3.303 N/A TYR 152.A N ILE 148.A O no hydrogen 2.955 N/A ILE 153.A N THR 149.A O no hydrogen 2.979 N/A HIS 154.A N THR 149.A O no hydrogen 2.934 N/A HIS 154.A ND1 SER 221.A OG no hydrogen 3.275 N/A ILE 158.A N ASP 216.A O no hydrogen 3.030 N/A VAL 160.A N VAL 214.A O no hydrogen 2.752 N/A SER 162.A N VAL 160.A O no hydrogen 2.881 N/A SER 162.A OG VAL 160.A O no hydrogen 3.237 N/A SER 162.A OG ALA 207.A O no hydrogen 3.299 N/A SER 162.A OG LEU 212.A O no hydrogen 2.573 N/A LYS 163.A NZ GLU 164.A O no hydrogen 3.456 N/A ASN 168.A N GLY 140.A O no hydrogen 3.015 N/A LYS 170.A N ASP 192.A OD2 no hydrogen 2.902 N/A LEU 171.A N GLY 136.A O no hydrogen 2.751 N/A ALA 172.A N VAL 193.A O no hydrogen 2.940 N/A VAL 173.A N ARG 134.A O no hydrogen 2.892 N/A LEU 174.A N LEU 195.A O no hydrogen 2.991 N/A SER 175.A N ASN 112.A OD1 no hydrogen 2.951 N/A SER 175.A OG ASP 105.A OD1 no hydrogen 3.551 N/A SER 175.A OG ASN 112.A OD1 no hydrogen 3.226 N/A GLY 176.A N THR 222.A OG1 no hydrogen 2.958 N/A SER 180.A OG SER 182.A OG no hydrogen 3.310 N/A SER 180.A OG SER 183.A OG no hydrogen 3.255 N/A SER 182.A OG SER 180.A OG no hydrogen 3.310 N/A SER 183.A N SER 180.A OG no hydrogen 3.178 N/A SER 183.A OG TYR 128.A OH no hydrogen 2.992 N/A SER 183.A OG SER 180.A OG no hydrogen 3.255 N/A ILE 184.A N SER 180.A O no hydrogen 3.027 N/A LYS 185.A N GLN 181.A O no hydrogen 3.161 N/A TYR 186.A N SER 182.A O no hydrogen 3.016 N/A TYR 186.A OH LEU 127.A O no hydrogen 2.814 N/A VAL 187.A N SER 183.A O no hydrogen 2.815 N/A ALA 188.A N ILE 184.A O no hydrogen 2.986 N/A GLU 189.A N TYR 186.A O no hydrogen 3.273 N/A LYS 190.A N VAL 187.A O no hydrogen 2.752 N/A ALA 191.A N VAL 187.A O no hydrogen 2.916 N/A ASP 192.A N LYS 170.A O no hydrogen 2.995 N/A VAL 193.A N LYS 170.A O no hydrogen 3.127 N/A TYR 194.A N VAL 213.A O no hydrogen 2.692 N/A TYR 194.A OH GLY 178.A O no hydrogen 2.817 N/A LEU 195.A N ALA 172.A O no hydrogen 2.780 N/A SER 196.A N VAL 215.A O no hydrogen 3.114 N/A SER 196.A OG LEU 174.A O no hydrogen 2.686 N/A SER 196.A OG GLY 176.A O no hydrogen 3.359 N/A LEU 199.A N ASP 216.A OD2 no hydrogen 3.125 N/A SER 203.A OG LEU 179.A O no hydrogen 2.557 N/A LYS 204.A N THR 200.A O no hydrogen 3.058 N/A LYS 204.A NZ GLU 208.A OE2 no hydrogen 2.377 N/A ILE 205.A N HIS 201.A O no hydrogen 3.040 N/A LEU 206.A N HIS 202.A O no hydrogen 2.962 N/A ALA 207.A N SER 203.A O no hydrogen 2.958 N/A GLU 208.A N LYS 204.A O no hydrogen 3.016 N/A GLU 209.A N ILE 205.A O no hydrogen 3.091 N/A LEU 210.A N LEU 206.A O no hydrogen 3.126 N/A GLY 211.A N GLU 208.A O no hydrogen 3.431 N/A LEU 212.A N ALA 207.A O no hydrogen 3.047 N/A VAL 213.A N ASP 192.A O no hydrogen 2.989 N/A VAL 214.A N VAL 160.A O no hydrogen 3.306 N/A VAL 215.A N TYR 194.A O no hydrogen 2.888 N/A ASP 216.A N ILE 158.A O no hydrogen 2.781 N/A ALA 217.A N SER 196.A O no hydrogen 3.029 N/A THR 218.A N ASP 216.A OD1 no hydrogen 2.808 N/A THR 218.A OG1 ALA 217.A O no hydrogen 2.568 N/A HIS 219.A ND1 ASP 198.A OD2 no hydrogen 2.889 N/A HIS 219.A NE2 HIS 69.A NE2 no hydrogen 3.233 N/A TYR 220.A OH ASP 246.A O no hydrogen 2.681 N/A SER 221.A N THR 218.A OG1 no hydrogen 3.089 N/A SER 221.A OG ILE 153.A O no hydrogen 3.461 N/A SER 221.A OG HIS 154.A ND1 no hydrogen 3.275 N/A SER 221.A OG THR 218.A OG1 no hydrogen 3.158 N/A THR 222.A N THR 218.A O no hydrogen 3.233 N/A THR 222.A OG1 THR 218.A O no hydrogen 2.940 N/A THR 222.A OG1 HIS 219.A O no hydrogen 3.290 N/A GLU 223.A N TYR 220.A O no hydrogen 3.219 N/A VAL 224.A N TYR 220.A O no hydrogen 2.924 N/A PHE 225.A N SER 221.A O no hydrogen 3.213 N/A LEU 227.A N GLU 223.A O no hydrogen 2.875 N/A LYS 228.A N VAL 224.A O no hydrogen 2.915 N/A PHE 230.A N GLY 226.A O no hydrogen 2.929 N/A LYS 231.A N LEU 227.A O no hydrogen 2.857 N/A LYS 231.A NZ SER 244.A OG no hydrogen 3.375 N/A GLU 232.A N LYS 228.A O no hydrogen 3.086 N/A PHE 233.A N LYS 229.A O no hydrogen 3.029 N/A LEU 234.A N PHE 230.A O no hydrogen 3.025 N/A SER 235.A N LYS 231.A O no hydrogen 2.892 N/A SER 235.A OG LYS 231.A O no hydrogen 3.030 N/A SER 236.A N GLU 232.A O no hydrogen 3.039 N/A SER 236.A OG GLU 232.A O no hydrogen 2.850 N/A SER 236.A OG PHE 233.A O no hydrogen 3.196 N/A ASN 237.A N LEU 234.A O no hydrogen 3.197 N/A ASN 237.A ND2 PHE 233.A O no hydrogen 2.598 N/A LEU 238.A N LEU 234.A O no hydrogen 2.837 N/A ILE 243.A N LEU 43.A O no hydrogen 2.902 N/A SER 244.A OG PHE 247.A OXT no hydrogen 2.613 N/A LEU 245.A N ILE 45.A O no hydrogen 2.892 N/A