Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bwb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 30.A OD2 no hydrogen 3.090 N/A SER 5.A OG GLU 25.A O no hydrogen 3.040 N/A GLY 6.A N VAL 24.A O no hydrogen 2.816 N/A GLY 7.A N ILE 4.A O no hydrogen 2.762 N/A PHE 9.A N LEU 22.A O no hydrogen 2.727 N/A TRP 16.A N ASN 13.A O no hydrogen 3.335 N/A LEU 22.A N PHE 9.A O no hydrogen 3.040 N/A VAL 24.A N GLY 7.A O no hydrogen 2.699 N/A GLU 25.A N GLU 42.A O no hydrogen 2.846 N/A LYS 26.A N GLU 42.A O no hydrogen 3.300 N/A LEU 28.A N ILE 40.A O no hydrogen 2.998 N/A TYR 29.A N ILE 40.A O no hydrogen 2.886 N/A ALA 31.A N LEU 38.A O no hydrogen 3.053 N/A THR 33.A N GLN 36.A O no hydrogen 2.654 N/A THR 33.A OG1 GLN 36.A O no hydrogen 2.945 N/A THR 33.A OG1 ASP 115.A OD2 no hydrogen 2.495 N/A PHE 35.A N THR 33.A OG1 no hydrogen 3.289 N/A GLN 36.A N THR 33.A OG1 no hydrogen 3.196 N/A GLN 36.A NE2 ASP 115.A OD2 no hydrogen 3.286 N/A HIS 37.A N ASP 55.A OD1 no hydrogen 3.033 N/A HIS 37.A NE2 ASP 30.A OD1 no hydrogen 3.018 N/A LEU 38.A N ALA 31.A O no hydrogen 3.003 N/A THR 39.A N ALA 53.A O no hydrogen 2.815 N/A THR 39.A OG1 ASP 30.A OD1 no hydrogen 3.045 N/A ILE 40.A N TYR 29.A O no hydrogen 2.693 N/A PHE 41.A N VAL 52.A O no hydrogen 2.951 N/A GLU 42.A N LYS 26.A O no hydrogen 2.666 N/A SER 43.A N GLY 50.A O no hydrogen 2.937 N/A SER 43.A OG GLY 50.A O no hydrogen 2.654 N/A LYS 46.A N ASP 44.A OD2 no hydrogen 2.928 N/A GLY 47.A N ASP 44.A O no hydrogen 2.791 N/A THR 51.A N ASP 62.A OD2 no hydrogen 2.773 N/A THR 51.A OG1 GLU 42.A OE1 no hydrogen 2.717 N/A THR 51.A OG1 ASP 62.A OD2 no hydrogen 3.107 N/A VAL 52.A N PHE 41.A O no hydrogen 2.785 N/A LEU 54.A N CYS 57.A O no hydrogen 2.871 N/A ASP 55.A N HIS 37.A O no hydrogen 2.792 N/A CYS 57.A N LEU 54.A O no hydrogen 3.102 N/A CYS 57.A SG.A GLU 11.A OE1 no hydrogen 3.785 N/A CYS 57.A SG.B ASP 55.A O no hydrogen 3.719 N/A ILE 58.A N GLU 11.A OE2 no hydrogen 3.065 N/A THR 61.A OG1 ASP 64.A OD1 no hydrogen 2.565 N/A ASP 62.A N THR 51.A O no hydrogen 3.137 N/A ASP 64.A N THR 61.A OG1 no hydrogen 3.418 N/A GLU 65.A N THR 61.A O no hydrogen 3.081 N/A VAL 67.A N ASP 64.A O no hydrogen 3.126 N/A TYR 68.A OH ASP 162.A OD1 no hydrogen 2.628 N/A HIS 69.A ND1 GLU 65.A OE2 no hydrogen 2.806 N/A GLU 70.A N PHE 66.A O no hydrogen 2.989 N/A VAL 71.A N VAL 67.A O no hydrogen 3.043 N/A LEU 72.A N TYR 68.A O no hydrogen 3.231 N/A GLY 73.A N HIS 69.A O no hydrogen 3.069 N/A HIS 74.A N GLU 70.A O no hydrogen 2.819 N/A HIS 74.A ND1 HIS 103.A NE2 no hydrogen 2.966 N/A HIS 74.A NE2 GLU 99.A OE1 no hydrogen 2.708 N/A THR 75.A N VAL 71.A O no hydrogen 3.064 N/A THR 75.A OG1 VAL 71.A O no hydrogen 2.673 N/A SER 76.A OG LEU 72.A O no hydrogen 2.639 N/A SER 76.A OG GLY 73.A O no hydrogen 3.256 N/A LEU 77.A N GLY 73.A O no hydrogen 3.378 N/A CYS 78.A N HIS 74.A O no hydrogen 2.804 N/A SER 79.A N SER 76.A O no hydrogen 3.226 N/A SER 79.A OG THR 75.A O no hydrogen 2.720 N/A SER 79.A OG VAL 244.A O no hydrogen 3.423 N/A HIS 80.A N LEU 77.A O no hydrogen 3.174 N/A LYS 82.A N HIS 80.A ND1 no hydrogen 3.066 N/A GLU 84.A N ASP 157.A OD2 no hydrogen 2.843 N/A ARG 85.A N ASP 157.A OD2 no hydrogen 2.826 N/A VAL 86.A N HIS 108.A O no hydrogen 3.207 N/A LEU 87.A N VAL 158.A O no hydrogen 2.926 N/A ILE 88.A N ASP 110.A O no hydrogen 2.800 N/A ILE 89.A N ILE 160.A O no hydrogen 2.815 N/A GLY 90.A N VAL 112.A O no hydrogen 2.760 N/A GLY 94.A N GLY 91.A O no hydrogen 3.150 N/A GLY 95.A N ASP 93.A OD1 no hydrogen 2.848 N/A ARG 98.A N GLY 94.A O no hydrogen 2.892 N/A ARG 98.A NH1.B GLU 65.A OE1 no hydrogen 3.535 N/A ARG 98.A NH1.B GLU 65.A OE2 no hydrogen 3.068 N/A ARG 98.A NH2.A GLU 65.A OE2 no hydrogen 3.101 N/A ARG 98.A NH2.B GLU 65.A OE2 no hydrogen 2.704 N/A VAL 100.A N VAL 96.A O no hydrogen 2.982 N/A LEU 101.A N LEU 97.A O no hydrogen 2.982 N/A ARG 102.A N GLU 99.A O no hydrogen 3.265 N/A ARG 102.A NE GLU 99.A OE1 no hydrogen 2.923 N/A HIS 103.A N VAL 100.A O no hydrogen 3.166 N/A HIS 103.A NE2 HIS 74.A ND1 no hydrogen 2.966 N/A THR 105.A OG1 PRO 83.A O no hydrogen 3.070 N/A VAL 106.A N HIS 103.A O no hydrogen 3.358 N/A GLU 107.A N GLU 84.A O no hydrogen 2.781 N/A HIS 108.A N GLU 84.A O no hydrogen 3.274 N/A HIS 108.A NE2 ASP 110.A OD1 no hydrogen 2.782 N/A CYS 109.A N ARG 136.A O no hydrogen 2.869 N/A CYS 109.A SG VAL 86.A O no hydrogen 3.600 N/A CYS 109.A SG ASP 110.A O no hydrogen 3.837 N/A ASP 110.A N VAL 86.A O no hydrogen 2.775 N/A LEU 111.A N THR 138.A O no hydrogen 3.059 N/A VAL 112.A N ILE 88.A O no hydrogen 2.924 N/A ASP 113.A N ARG 140.A O no hydrogen 3.184 N/A ILE 114.A N ASP 113.A OD1 no hydrogen 2.681 N/A GLU 117.A N ASP 115.A OD1 no hydrogen 2.913 N/A VAL 118.A N ASP 115.A OD1 no hydrogen 3.091 N/A GLN 120.A N GLU 117.A O no hydrogen 3.030 N/A SER 121.A N VAL 118.A O no hydrogen 2.929 N/A SER 121.A OG VAL 118.A O no hydrogen 2.818 N/A GLN 123.A N GLU 119.A O no hydrogen 3.200 N/A HIS 124.A N GLN 120.A O no hydrogen 2.923 N/A PHE 125.A N SER 121.A O no hydrogen 2.806 N/A ILE 128.A N PHE 125.A O no hydrogen 3.121 N/A SER 129.A N PHE 125.A O no hydrogen 2.967 N/A SER 129.A OG SER 121.A O no hydrogen 3.108 N/A SER 129.A OG PHE 125.A O no hydrogen 3.005 N/A LEU 132.A N SER 129.A O no hydrogen 3.198 N/A ALA 133.A N ARG 130.A O no hydrogen 3.451 N/A ASP 134.A N SER 131.A O no hydrogen 3.178 N/A ARG 136.A N ASP 134.A OD1 no hydrogen 3.081 N/A ARG 136.A NH1 LEU 101.A O no hydrogen 3.357 N/A ARG 136.A NH1 HIS 103.A O no hydrogen 3.533 N/A ARG 136.A NH1 VAL 106.A O no hydrogen 3.294 N/A ARG 136.A NH2 LEU 101.A O no hydrogen 3.037 N/A ALA 137.A N ASP 134.A O no hydrogen 2.926 N/A THR 138.A N CYS 109.A O no hydrogen 3.072 N/A ARG 140.A N LEU 111.A O no hydrogen 2.722 N/A GLY 142.A N ASP 113.A O no hydrogen 3.048 N/A LEU 145.A N ASP 143.A OD1 no hydrogen 3.314 N/A PHE 147.A N ASP 143.A O no hydrogen 3.175 N/A VAL 148.A N GLY 144.A O no hydrogen 3.098 N/A ARG 149.A N LEU 145.A O no hydrogen 3.208 N/A GLN 150.A N ALA 146.A O no hydrogen 3.216 N/A GLN 150.A N PHE 147.A O no hydrogen 3.180 N/A THR 151.A N VAL 148.A O no hydrogen 3.370 N/A THR 151.A OG1 PHE 147.A O no hydrogen 2.814 N/A ASN 154.A N ARG 181.A O no hydrogen 3.017 N/A THR 155.A N ILE 182.A O no hydrogen 2.853 N/A THR 155.A OG1 PRO 152.A O no hydrogen 2.612 N/A THR 155.A OG1 ASP 153.A O no hydrogen 3.241 N/A TYR 156.A N ILE 182.A O no hydrogen 2.839 N/A TYR 156.A OH ASP 110.A OD2 no hydrogen 2.496 N/A ASP 157.A N ARG 85.A O no hydrogen 2.766 N/A VAL 158.A N ARG 85.A O no hydrogen 3.434 N/A VAL 159.A N ILE 188.A O no hydrogen 3.138 N/A ILE 160.A N LEU 87.A O no hydrogen 2.772 N/A ILE 161.A N CYS 190.A O no hydrogen 2.653 N/A ASP 162.A N ILE 89.A O no hydrogen 2.821 N/A ASP 165.A N THR 163.A OG1 no hydrogen 2.878 N/A TYR 176.A N GLY 172.A O no hydrogen 2.791 N/A LYS 177.A N GLU 173.A O no hydrogen 3.318 N/A LYS 177.A NZ THR 212.A O no hydrogen 2.865 N/A ASP 178.A N ALA 174.A O no hydrogen 2.990 N/A VAL 179.A N PHE 175.A O no hydrogen 2.895 N/A LEU 180.A N TYR 176.A O no hydrogen 3.079 N/A ARG 181.A N LYS 177.A O no hydrogen 3.120 N/A ARG 181.A NE ASP 153.A OD1 no hydrogen 3.383 N/A ARG 181.A NH1 VAL 148.A O no hydrogen 3.319 N/A ARG 181.A NH1 ASP 178.A OD1 no hydrogen 3.216 N/A ARG 181.A NH2 THR 151.A O no hydrogen 2.478 N/A ARG 181.A NH2 ASP 153.A OD1 no hydrogen 3.308 N/A ILE 182.A N ASP 178.A O no hydrogen 2.969 N/A LYS 184.A N TYR 156.A O no hydrogen 2.796 N/A GLY 187.A N LYS 184.A O no hydrogen 2.645 N/A ILE 188.A N ASP 157.A O no hydrogen 3.027 N/A CYS 189.A N CYS 236.A O no hydrogen 2.805 N/A CYS 189.A SG VAL 159.A O no hydrogen 3.748 N/A CYS 190.A N VAL 159.A O no hydrogen 2.866 N/A CYS 190.A SG.A THR 233.A OG1 no hydrogen 3.274 N/A CYS 190.A SG.B LEU 72.A O no hydrogen 3.928 N/A CYS 190.A SG.B THR 233.A OG1 no hydrogen 3.242 N/A ASN 191.A N LEU 234.A O no hydrogen 2.831 N/A ASN 191.A ND2 TYR 176.A OH no hydrogen 2.553 N/A GLN 192.A N ILE 161.A O no hydrogen 3.143 N/A GLY 193.A N GLY 232.A O no hydrogen 2.736 N/A SER 195.A OG SER 230.A O no hydrogen 3.516 N/A TRP 197.A N SER 195.A OG no hydrogen 2.924 N/A LEU 198.A N SER 195.A OG no hydrogen 3.385 N/A ASP 199.A N SER 195.A O no hydrogen 3.198 N/A ILE 203.A N ASP 199.A O no hydrogen 3.362 N/A GLU 204.A N LEU 200.A O no hydrogen 3.038 N/A LYS 205.A N GLU 201.A O no hydrogen 3.105 N/A ARG 207.A N GLU 204.A O no hydrogen 3.089 N/A PHE 208.A N LYS 205.A O no hydrogen 2.839 N/A ARG 210.A N SER 206.A O no hydrogen 3.264 N/A GLU 211.A N ARG 207.A O no hydrogen 2.896 N/A THR 212.A N PHE 208.A O no hydrogen 2.964 N/A THR 212.A OG1 PHE 208.A O no hydrogen 2.882 N/A GLY 213.A N ARG 210.A O no hydrogen 3.214 N/A ALA 215.A N SER 237.A O no hydrogen 2.947 N/A SER 216.A N SER 237.A O no hydrogen 3.396 N/A GLN 218.A N VAL 235.A O no hydrogen 3.023 N/A GLN 218.A NE2 VAL 217.A O no hydrogen 3.025 N/A GLN 218.A NE2 ASN 280.A O no hydrogen 3.662 N/A TYR 219.A N ASN 280.A OD1 no hydrogen 2.791 N/A TYR 219.A OH GLU 194.A O no hydrogen 2.804 N/A ALA 220.A N THR 233.A O no hydrogen 2.765 N/A LEU 221.A N SER 269.A O no hydrogen 2.777 N/A HIS 222.A N TYR 261.A OH no hydrogen 2.948 N/A VAL 223.A N GLY 229.A O no hydrogen 3.371 N/A THR 225.A N ASP 64.A OD2 no hydrogen 3.332 N/A THR 225.A OG1 ASP 64.A OD1 no hydrogen 3.554 N/A THR 225.A OG1 ASP 64.A OD2 no hydrogen 2.634 N/A TYR 226.A N VAL 223.A O no hydrogen 3.412 N/A CYS 228.A SG.A SER 195.A OG no hydrogen 2.743 N/A CYS 228.A SG.A SER 230.A O no hydrogen 3.536 N/A GLY 229.A N TYR 226.A O no hydrogen 2.745 N/A THR 233.A N ALA 220.A O no hydrogen 2.908 N/A THR 233.A OG1 ASN 191.A O no hydrogen 2.978 N/A LEU 234.A N ASN 191.A O no hydrogen 2.678 N/A VAL 235.A N GLN 218.A O no hydrogen 2.811 N/A CYS 236.A N CYS 189.A O no hydrogen 2.751 N/A CYS 236.A SG CYS 189.A O no hydrogen 3.607 N/A CYS 236.A SG LEU 234.A O no hydrogen 3.893 N/A SER 237.A N SER 216.A O no hydrogen 2.885 N/A SER 237.A OG LYS 239.A O no hydrogen 2.726 N/A LYS 238.A N GLY 187.A O no hydrogen 3.021 N/A LYS 238.A NZ LEU 180.A O no hydrogen 3.047 N/A LYS 238.A NZ LEU 183.A O no hydrogen 2.696 N/A THR 245.A N ASP 243.A OD1 no hydrogen 3.460 N/A THR 245.A OG1 ASP 243.A OD1 no hydrogen 2.854 N/A THR 245.A OG1 ASP 243.A OD2 no hydrogen 2.928 N/A LYS 246.A N ASP 243.A O no hydrogen 3.471 N/A ARG 249.A N CYS 78.A O no hydrogen 2.842 N/A ARG 249.A NE HIS 80.A O no hydrogen 3.065 N/A ARG 249.A NH2 LEU 77.A O no hydrogen 3.272 N/A ARG 249.A NH2 HIS 103.A ND1 no hydrogen 3.447 N/A GLU 252.A N GLU 252.A OE1 no hydrogen 2.678 N/A ASP 253.A N PRO 250.A O no hydrogen 3.009 N/A ASP 258.A N PHE 255.A O no hydrogen 3.012 N/A LEU 259.A N ALA 256.A O no hydrogen 3.435 N/A LYS 260.A N GLU 70.A OE2 no hydrogen 2.963 N/A TYR 261.A N GLU 70.A OE1 no hydrogen 2.829 N/A TYR 262.A N GLU 70.A OE1 no hydrogen 2.886 N/A TYR 262.A OH HIS 266.A ND1 no hydrogen 2.686 N/A SER 264.A N GLU 252.A OE2 no hydrogen 3.048 N/A SER 264.A OG GLU 252.A OE1 no hydrogen 2.522 N/A SER 264.A OG GLU 252.A OE2 no hydrogen 3.551 N/A HIS 266.A ND1 TYR 262.A OH no hydrogen 2.686 N/A HIS 266.A NE2 VAL 244.A O no hydrogen 2.758 N/A LYS 267.A N SER 264.A O no hydrogen 3.161 N/A LYS 267.A NZ GLU 265.A OE2 no hydrogen 2.752 N/A ALA 268.A N GLU 265.A O no hydrogen 3.021 N/A SER 269.A OG HIS 266.A O no hydrogen 2.735 N/A PHE 270.A N LYS 267.A O no hydrogen 3.448 N/A ALA 271.A N ALA 268.A O no hydrogen 3.248 N/A ALA 276.A N PRO 273.A O no hydrogen 2.889 N/A ARG 277.A N ARG 274.A O no hydrogen 3.096 N/A HIS 278.A NE2 GLU 204.A OE2 no hydrogen 2.467 N/A ILE 279.A N ALA 276.A O no hydrogen 3.404 N/A ASN 280.A N ARG 277.A O no hydrogen 3.157 N/A ASN 280.A ND2 TYR 219.A O no hydrogen 3.092 N/A ASN 280.A ND2 PHE 270.A O no hydrogen 3.182 N/A ASN 281.A N HIS 278.A O no hydrogen 3.146 N/A