Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3b1w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG LYS 48.A O no hydrogen 3.292 N/A SER 1.A OG ASP 49.A O no hydrogen 3.087 N/A MET 2.A N ASP 49.A O no hydrogen 3.123 N/A THR 3.A N ASP 49.A O no hydrogen 3.110 N/A GLU 4.A N ASP 81.A OD2 no hydrogen 2.969 N/A ILE 5.A N GLU 51.A O no hydrogen 2.824 N/A ALA 6.A N SER 82.A O no hydrogen 2.921 N/A LEU 7.A N GLN 53.A O no hydrogen 2.791 N/A ILE 8.A N LEU 84.A O no hydrogen 3.220 N/A ASN 10.A ND2 ILE 58.A O no hydrogen 2.922 N/A SER 13.A OG ASN 10.A O no hydrogen 2.849 N/A LYS 15.A NZ ASP 54.A OD1 no hydrogen 3.105 N/A LYS 15.A NZ ASP 54.A OD2 no hydrogen 3.378 N/A LYS 15.A NZ LEU 55.A O no hydrogen 3.030 N/A LEU 18.A N GLY 14.A O no hydrogen 2.942 N/A PHE 19.A N LYS 15.A O no hydrogen 2.726 N/A ASN 20.A N THR 16.A O no hydrogen 2.939 N/A LEU 21.A N SER 17.A O no hydrogen 3.401 N/A ILE 22.A N LEU 18.A O no hydrogen 3.106 N/A THR 23.A N PHE 19.A O no hydrogen 3.104 N/A THR 23.A OG1 PHE 19.A O no hydrogen 2.720 N/A GLY 24.A N ASN 20.A O no hydrogen 2.893 N/A ASN 26.A N THR 23.A O no hydrogen 3.217 N/A ASN 26.A ND2 THR 23.A O no hydrogen 3.260 N/A GLN 27.A NE2 ASN 20.A OD1 no hydrogen 2.946 N/A GLN 27.A NE2 THR 23.A OG1 no hydrogen 3.074 N/A ARG 28.A N SER 41.A O no hydrogen 2.634 N/A GLY 30.A N ARG 39.A O no hydrogen 2.567 N/A TRP 32.A N VAL 37.A O no hydrogen 3.175 N/A VAL 35.A N TRP 32.A O no hydrogen 3.292 N/A ARG 39.A N GLY 30.A O no hydrogen 2.986 N/A ARG 39.A NE GLN 53.A OE1 no hydrogen 3.512 N/A SER 41.A N ARG 28.A O no hydrogen 2.894 N/A GLY 42.A N ILE 52.A O no hydrogen 2.954 N/A LEU 43.A N ASN 26.A O no hydrogen 3.168 N/A VAL 44.A N LEU 50.A O no hydrogen 2.912 N/A LYS 45.A N ILE 22.A O no hydrogen 2.798 N/A LYS 46.A NZ ASP 151.A OD1 no hydrogen 3.323 N/A LYS 46.A NZ ASP 151.A OD2 no hydrogen 2.830 N/A ASN 47.A N VAL 44.A O no hydrogen 3.100 N/A ASP 49.A N ASN 47.A OD1 no hydrogen 3.202 N/A LEU 50.A N ASN 47.A O no hydrogen 3.163 N/A GLU 51.A N THR 3.A O no hydrogen 2.920 N/A ILE 52.A N GLY 42.A O no hydrogen 2.689 N/A GLN 53.A N ILE 5.A O no hydrogen 2.757 N/A GLN 53.A NE2 ASP 54.A O no hydrogen 2.896 N/A ASP 54.A N LYS 40.A O no hydrogen 2.953 N/A LEU 55.A N LEU 7.A O no hydrogen 2.873 N/A ILE 58.A N GLY 9.A O no hydrogen 3.255 N/A SER 60.A OG GLN 101.A OE1 no hydrogen 3.286 N/A MET 61.A N GLN 101.A OE1 no hydrogen 2.739 N/A SER 62.A N SER 60.A OG no hydrogen 3.288 N/A TYR 64.A OH ASP 208.A OD1 no hydrogen 3.109 N/A TYR 64.A OH ASP 208.A OD2 no hydrogen 2.815 N/A TYR 64.A OH SER 209.A OG no hydrogen 3.255 N/A GLU 67.A N GLU 67.A OE1 no hydrogen 2.816 N/A ALA 68.A N SER 65.A OG no hydrogen 3.247 N/A LYS 69.A N SER 65.A O no hydrogen 3.069 N/A LYS 69.A NZ ASP 73.A OD2 no hydrogen 3.112 N/A VAL 70.A N PRO 66.A O no hydrogen 2.948 N/A ALA 71.A N GLU 67.A O no hydrogen 3.162 N/A ARG 72.A N ALA 68.A O no hydrogen 2.835 N/A ARG 72.A NE MET 61.A O no hydrogen 3.152 N/A ARG 72.A NH2 MET 61.A O no hydrogen 2.957 N/A ARG 72.A NH2 PRO 63.A O no hydrogen 2.479 N/A ASP 73.A N LYS 69.A O no hydrogen 2.926 N/A TYR 74.A N VAL 70.A O no hydrogen 2.995 N/A LEU 75.A N ALA 71.A O no hydrogen 3.076 N/A LEU 76.A N ARG 72.A O no hydrogen 2.833 N/A SER 77.A N ASP 73.A O no hydrogen 3.243 N/A SER 77.A OG TYR 74.A O no hydrogen 2.764 N/A ASP 81.A N GLU 4.A O no hydrogen 2.923 N/A SER 82.A OG ALA 157.A O no hydrogen 3.234 N/A ILE 83.A N PRO 108.A O no hydrogen 2.884 N/A LEU 84.A N ALA 6.A O no hydrogen 2.728 N/A ASN 85.A N THR 110.A O no hydrogen 2.853 N/A ASN 85.A ND2 ILE 8.A O no hydrogen 3.194 N/A VAL 86.A N ILE 8.A O no hydrogen 2.820 N/A VAL 87.A N ALA 112.A O no hydrogen 3.048 N/A ASP 88.A N ASN 95.A OD1 no hydrogen 2.981 N/A ALA 89.A N ASN 114.A O no hydrogen 3.097 N/A THR 90.A N ASP 88.A OD1 no hydrogen 3.068 N/A THR 90.A OG1 ASP 88.A OD1 no hydrogen 2.691 N/A ASN 91.A N ASP 88.A O no hydrogen 2.974 N/A ARG 94.A NH1 ASN 91.A OD1 no hydrogen 3.521 N/A ASN 95.A N ASN 91.A O no hydrogen 3.225 N/A ASN 95.A ND2 ASN 91.A O no hydrogen 2.678 N/A LEU 96.A N LEU 92.A O no hydrogen 2.955 N/A THR 99.A OG1 ASN 85.A OD1 no hydrogen 2.653 N/A THR 99.A OG1 ASN 95.A O no hydrogen 3.426 N/A THR 100.A N LEU 96.A O no hydrogen 2.916 N/A THR 100.A OG1 TYR 97.A O no hydrogen 2.713 N/A GLN 101.A NE2 SER 60.A OG no hydrogen 3.252 N/A LEU 102.A N LEU 98.A O no hydrogen 2.806 N/A ILE 103.A N THR 99.A O no hydrogen 2.934 N/A GLU 104.A N THR 100.A O no hydrogen 3.366 N/A THR 105.A N LEU 102.A O no hydrogen 3.210 N/A THR 105.A OG1 LEU 102.A O no hydrogen 2.503 N/A GLY 106.A N ILE 103.A O no hydrogen 3.152 N/A ILE 107.A N THR 105.A OG1 no hydrogen 3.422 N/A THR 110.A N ILE 83.A O no hydrogen 2.798 N/A ILE 111.A N PRO 138.A O no hydrogen 2.984 N/A ALA 112.A N ASN 85.A O no hydrogen 2.874 N/A LEU 113.A N VAL 140.A O no hydrogen 2.993 N/A ASN 114.A N VAL 87.A O no hydrogen 2.817 N/A ASN 114.A ND2 SER 13.A O no hydrogen 2.946 N/A ILE 116.A N THR 142.A O no hydrogen 3.282 N/A VAL 118.A N MET 115.A O no hydrogen 3.416 N/A GLN 122.A N LEU 119.A O no hydrogen 2.851 N/A GLY 123.A N ASP 120.A O no hydrogen 2.848 N/A LYS 124.A N LEU 119.A O no hydrogen 3.169 N/A LYS 124.A NZ THR 90.A O no hydrogen 3.092 N/A LYS 124.A NZ GLN 122.A OE1 no hydrogen 3.080 N/A LYS 125.A N SER 261.A O no hydrogen 3.294 N/A ASN 127.A N ALA 259.A O no hydrogen 2.835 N/A LYS 130.A N ASN 127.A OD1 no hydrogen 3.131 N/A LEU 131.A N ASN 127.A O no hydrogen 2.855 N/A SER 132.A N VAL 128.A O no hydrogen 2.869 N/A SER 132.A OG VAL 137.A O no hydrogen 2.663 N/A TYR 133.A N ASP 129.A O no hydrogen 3.024 N/A HIS 134.A N LYS 130.A O no hydrogen 3.163 N/A HIS 134.A ND1 LYS 130.A O no hydrogen 3.089 N/A LEU 135.A N LEU 131.A O no hydrogen 3.175 N/A GLY 136.A N TYR 133.A O no hydrogen 3.304 N/A VAL 140.A N ILE 111.A O no hydrogen 2.974 N/A THR 142.A N LEU 113.A O no hydrogen 3.075 N/A THR 142.A OG1 ASN 114.A OD1 no hydrogen 2.987 N/A SER 143.A N THR 148.A O no hydrogen 3.037 N/A SER 143.A OG ASP 117.A OD1 no hydrogen 2.824 N/A LYS 146.A N SER 143.A OG no hydrogen 3.087 N/A THR 148.A N SER 143.A O no hydrogen 3.111 N/A GLN 152.A N.B GLN 152.A OE1.B no hydrogen 2.413 N/A VAL 153.A N GLY 149.A O no hydrogen 2.955 N/A VAL 154.A N VAL 150.A O no hydrogen 3.171 N/A LYS 155.A N ASP 151.A O no hydrogen 3.033 N/A LYS 156.A N GLN 152.A O.A no hydrogen 3.129 N/A LYS 156.A N GLN 152.A O.B no hydrogen 3.210 N/A ALA 157.A N VAL 153.A O no hydrogen 2.880 N/A ALA 158.A N VAL 154.A O no hydrogen 2.909 N/A HIS 159.A N LYS 156.A O no hydrogen 3.161 N/A HIS 159.A ND1 LYS 155.A O no hydrogen 2.670 N/A THR 160.A N ALA 157.A O no hydrogen 3.267 N/A THR 160.A OG1 LYS 156.A O no hydrogen 2.823 N/A THR 161.A N THR 164.A OG1 no hydrogen 2.976 N/A THR 161.A OG1 SER 163.A OG no hydrogen 3.082 N/A THR 161.A OG1 THR 164.A OG1 no hydrogen 3.101 N/A THR 162.A N ASP 81.A O no hydrogen 2.957 N/A SER 163.A OG THR 161.A OG1 no hydrogen 3.082 N/A THR 164.A N THR 161.A O no hydrogen 3.052 N/A THR 164.A OG1 HIS 159.A O no hydrogen 3.226 N/A THR 164.A OG1 THR 161.A O no hydrogen 3.314 N/A THR 164.A OG1 THR 161.A OG1 no hydrogen 3.101 N/A VAL 165.A N THR 161.A O no hydrogen 2.818 N/A TYR 173.A N GLU 178.A OE2 no hydrogen 2.954 N/A TYR 173.A OH GLU 104.A OE2 no hydrogen 2.608 N/A ASP 174.A N GLU 247.A OE1 no hydrogen 2.996 N/A ARG 176.A N ASP 174.A OD1 no hydrogen 2.896 N/A ARG 176.A NE ASP 174.A OD1 no hydrogen 3.088 N/A ARG 176.A NE ASP 174.A OD2 no hydrogen 3.435 N/A ARG 176.A NH2 ASP 174.A OD2 no hydrogen 2.788 N/A LEU 177.A N ASP 174.A O no hydrogen 2.910 N/A GLU 178.A N ASP 174.A O no hydrogen 3.064 N/A ALA 179.A N ASP 175.A O no hydrogen 2.752 N/A ALA 180.A N ARG 176.A O no hydrogen 3.447 N/A ILE 181.A N LEU 177.A O no hydrogen 2.873 N/A SER 182.A N GLU 178.A O no hydrogen 2.730 N/A GLN 183.A N ALA 179.A O no hydrogen 2.932 N/A ILE 184.A N ALA 180.A O no hydrogen 2.877 N/A LEU 185.A N ILE 181.A O no hydrogen 2.895 N/A GLU 186.A N SER 182.A O no hydrogen 3.136 N/A VAL 187.A N GLN 183.A O no hydrogen 3.238 N/A LEU 188.A N ILE 184.A O no hydrogen 2.895 N/A GLY 189.A N LEU 185.A O no hydrogen 3.235 N/A SER 191.A N LEU 188.A O no hydrogen 3.055 N/A SER 191.A OG LEU 188.A O no hydrogen 3.171 N/A ARG 198.A NH1 GLU 178.A OE1 no hydrogen 2.839 N/A ARG 198.A NH2 GLU 178.A OE1 no hydrogen 3.294 N/A ARG 198.A NH2 GLU 178.A OE2 no hydrogen 2.703 N/A TYR 200.A N SER 196.A O no hydrogen 3.122 N/A TYR 200.A OH GLU 214.A OE2 no hydrogen 3.056 N/A ALA 201.A N ALA 197.A O no hydrogen 2.805 N/A ILE 202.A N ARG 198.A O no hydrogen 3.039 N/A LYS 203.A N PHE 199.A O no hydrogen 3.112 N/A LYS 203.A NZ GLU 206.A OE1 no hydrogen 2.900 N/A LEU 204.A N TYR 200.A O no hydrogen 2.951 N/A PHE 205.A N ALA 201.A O no hydrogen 3.031 N/A GLU 206.A N ILE 202.A O no hydrogen 2.902 N/A GLN 207.A N LEU 204.A O no hydrogen 3.136 N/A ASP 208.A N LYS 203.A O no hydrogen 2.891 N/A SER 209.A OG TYR 64.A OH no hydrogen 3.255 N/A LEU 210.A N TYR 64.A OH no hydrogen 3.292 N/A VAL 211.A N ASP 208.A OD2 no hydrogen 3.045 N/A GLU 212.A N ASP 208.A O no hydrogen 2.917 N/A ALA 213.A N SER 209.A O no hydrogen 2.961 N/A GLU 214.A N LEU 210.A O no hydrogen 2.977 N/A LEU 215.A N VAL 211.A O no hydrogen 2.889 N/A ASP 216.A N GLU 212.A O no hydrogen 3.352 N/A SER 218.A N GLN 221.A OE1 no hydrogen 3.156 N/A SER 218.A OG GLN 221.A OE1 no hydrogen 3.289 N/A GLN 221.A N SER 218.A OG no hydrogen 3.410 N/A GLN 221.A NE2 VAL 187.A O no hydrogen 3.252 N/A GLN 221.A NE2 SER 191.A OG no hydrogen 3.001 N/A ARG 222.A N SER 218.A O no hydrogen 2.887 N/A ARG 222.A NE LEU 217.A O no hydrogen 3.346 N/A ARG 222.A NE SER 218.A O no hydrogen 3.178 N/A LYS 223.A N GLN 219.A O no hydrogen 2.980 N/A LYS 223.A NZ ASP 227.A OD2 no hydrogen 3.393 N/A GLU 224.A N PHE 220.A O no hydrogen 3.270 N/A ILE 225.A N GLN 221.A O no hydrogen 3.316 N/A GLU 226.A N ARG 222.A O no hydrogen 3.175 N/A ASP 227.A N LYS 223.A O no hydrogen 3.139 N/A ILE 228.A N GLU 224.A O no hydrogen 2.878 N/A ILE 229.A N ILE 225.A O no hydrogen 2.903 N/A ARG 230.A N GLU 226.A O no hydrogen 2.965 N/A ARG 230.A NH1 ASP 227.A OD1 no hydrogen 3.259 N/A ARG 230.A NH2 ASP 227.A OD1 no hydrogen 2.736 N/A ILE 231.A N ASP 227.A O no hydrogen 3.145 N/A THR 232.A N ILE 228.A O no hydrogen 3.069 N/A THR 232.A OG1 ILE 228.A O no hydrogen 2.577 N/A GLU 233.A N ILE 229.A O no hydrogen 2.719 N/A GLU 234.A N ARG 230.A O no hydrogen 2.921 N/A ILE 235.A N ILE 231.A O no hydrogen 2.923 N/A PHE 236.A N THR 232.A O no hydrogen 3.003 N/A THR 237.A N GLU 234.A O no hydrogen 3.255 N/A THR 237.A OG1 PHE 236.A O no hydrogen 2.658 N/A GLU 238.A N GLU 233.A O no hydrogen 3.276 N/A ALA 240.A N GLU 233.A OE2 no hydrogen 2.775 N/A SER 242.A OG ASP 239.A OD1 no hydrogen 2.639 N/A ILE 243.A N ASP 239.A O no hydrogen 3.029 N/A VAL 244.A N ALA 240.A O no hydrogen 3.013 N/A ILE 245.A N GLU 241.A O no hydrogen 3.112 N/A ASN 246.A N SER 242.A O no hydrogen 3.072 N/A GLU 247.A N ILE 243.A O no hydrogen 3.031 N/A ARG 248.A N VAL 244.A O no hydrogen 2.997 N/A ARG 248.A NH1 THR 100.A OG1 no hydrogen 3.159 N/A ARG 248.A NH1 GLU 104.A OE1 no hydrogen 2.746 N/A ARG 248.A NH1 GLU 104.A OE2 no hydrogen 2.909 N/A ARG 248.A NH2 GLU 104.A OE1 no hydrogen 2.863 N/A TYR 249.A N ILE 245.A O no hydrogen 3.015 N/A ALA 250.A N ASN 246.A O no hydrogen 3.016 N/A PHE 251.A N GLU 247.A O no hydrogen 3.054 N/A ILE 252.A N ARG 248.A O no hydrogen 2.944 N/A GLU 253.A N TYR 249.A O no hydrogen 2.883 N/A ARG 254.A N ALA 250.A O no hydrogen 3.069 N/A VAL 255.A N PHE 251.A O no hydrogen 3.146 N/A CYS 256.A N ILE 252.A O no hydrogen 2.972 N/A CYS 256.A SG ILE 252.A O no hydrogen 3.408 N/A CYS 256.A SG GLU 260.A OE1 no hydrogen 3.418 N/A GLN 257.A N GLU 253.A O no hydrogen 3.051 N/A MET 258.A N ARG 254.A O no hydrogen 3.124 N/A ALA 259.A N VAL 255.A O no hydrogen 3.080 N/A GLU 260.A N CYS 256.A O no hydrogen 2.898 N/A SER 261.A N LYS 125.A O no hydrogen 3.099 N/A