Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3und_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N GLY 193.A O no hydrogen 2.936 N/A VAL 5.A N ALA 13.A O no hydrogen 2.722 N/A ILE 7.A N VAL 11.A O no hydrogen 2.845 N/A SER 8.A N VAL 11.A O no hydrogen 3.231 N/A VAL 11.A N SER 8.A O no hydrogen 2.790 N/A ALA 13.A N VAL 5.A O no hydrogen 2.835 N/A ASN 15.A ND2 CYS 194.A O no hydrogen 2.934 N/A LEU 17.A N GLY 14.A O no hydrogen 3.000 N/A PHE 19.A N ASP 271.A OD2 no hydrogen 2.968 N/A VAL 20.A N ALA 234.A O no hydrogen 2.916 N/A LEU 21.A N PRO 51.A O no hydrogen 2.872 N/A PHE 22.A N LEU 236.A O no hydrogen 2.796 N/A GLY 23.A N VAL 53.A O no hydrogen 2.938 N/A GLY 24.A N LEU 238.A O no hydrogen 3.024 N/A ILE 25.A N LYS 55.A O no hydrogen 2.980 N/A ASN 26.A ND2 GLU 239.A OE1 no hydrogen 2.848 N/A LEU 28.A N SER 57.A O no hydrogen 2.797 N/A THR 34.A N SER 30.A O no hydrogen 3.231 N/A THR 34.A OG1 SER 30.A O no hydrogen 2.680 N/A LEU 35.A N LEU 31.A O no hydrogen 2.927 N/A ASP 36.A N ASP 32.A O no hydrogen 2.851 N/A VAL 37.A N PHE 33.A O no hydrogen 2.944 N/A CYS 38.A N THR 34.A O no hydrogen 2.907 N/A GLY 39.A N LEU 35.A O no hydrogen 2.878 N/A GLU 40.A N ASP 36.A O no hydrogen 3.232 N/A TYR 41.A N VAL 37.A O no hydrogen 3.089 N/A TYR 41.A OH GLY 24.A O no hydrogen 2.776 N/A VAL 42.A N CYS 38.A O no hydrogen 2.861 N/A ALA 43.A N GLY 39.A O no hydrogen 2.965 N/A VAL 44.A N GLU 40.A O no hydrogen 2.943 N/A THR 45.A N TYR 41.A O no hydrogen 2.800 N/A THR 45.A OG1 TYR 41.A O no hydrogen 2.786 N/A THR 45.A OG1 VAL 42.A O no hydrogen 3.206 N/A ARG 46.A N VAL 42.A O no hydrogen 2.837 N/A LYS 47.A N ALA 43.A O no hydrogen 3.007 N/A LYS 47.A NZ GLU 261.A OE1 no hydrogen 3.478 N/A LYS 47.A NZ GLU 261.A OE2 no hydrogen 2.802 N/A LEU 48.A N VAL 44.A O no hydrogen 3.075 N/A GLY 49.A N THR 45.A O no hydrogen 2.797 N/A ILE 50.A N THR 45.A O no hydrogen 3.024 N/A VAL 53.A N LEU 21.A O no hydrogen 2.903 N/A PHE 54.A N PRO 91.A O no hydrogen 2.899 N/A LYS 55.A N GLY 23.A O no hydrogen 2.828 N/A LYS 55.A NZ ILE 25.A O no hydrogen 3.498 N/A LYS 55.A NZ ASN 26.A O no hydrogen 3.035 N/A LYS 55.A NZ SER 57.A OG no hydrogen 3.179 N/A LYS 55.A NZ GLU 239.A OE2 no hydrogen 2.693 N/A ALA 56.A N ILE 93.A O no hydrogen 3.379 N/A SER 57.A N ASN 26.A O no hydrogen 3.139 N/A SER 57.A OG ASN 26.A O no hydrogen 3.118 N/A SER 57.A OG ASP 95.A OD1 no hydrogen 2.874 N/A LYS 60.A N ARG 70.A O no hydrogen 2.798 N/A LYS 60.A NZ ASN 26.A O no hydrogen 3.342 N/A LYS 60.A NZ ASN 26.A OD1 no hydrogen 2.938 N/A LYS 60.A NZ SER 57.A OG no hydrogen 3.026 N/A ARG 63.A NH1 TYR 69.A O no hydrogen 2.951 N/A ARG 63.A NH1 ARG 248.A O no hydrogen 2.977 N/A HIS 67.A N SER 65.A OG no hydrogen 2.945 N/A SER 68.A N SER 65.A O no hydrogen 3.077 N/A ARG 70.A NE ASP 59.A OD1 no hydrogen 3.005 N/A ARG 70.A NH2 ASP 59.A OD1 no hydrogen 3.350 N/A ARG 70.A NH2 ASP 59.A OD2 no hydrogen 2.746 N/A VAL 72.A N LEU 28.A O no hydrogen 3.124 N/A GLY 73.A N PHE 58.A O no hydrogen 2.850 N/A GLY 77.A N GLY 73.A O no hydrogen 2.846 N/A LEU 78.A N LEU 74.A O no hydrogen 2.919 N/A LYS 79.A N ASP 75.A O no hydrogen 3.321 N/A LYS 79.A NZ GLU 76.A OE2 no hydrogen 3.514 N/A ILE 80.A N GLU 76.A O no hydrogen 2.984 N/A PHE 81.A N GLY 77.A O no hydrogen 2.968 N/A ALA 82.A N LEU 78.A O no hydrogen 2.907 N/A GLU 83.A N LYS 79.A O no hydrogen 3.187 N/A VAL 84.A N ILE 80.A O no hydrogen 2.883 N/A LYS 85.A N PHE 81.A O no hydrogen 3.003 N/A LYS 85.A NZ ASP 110.A OD1 no hydrogen 3.165 N/A LYS 85.A NZ ASP 110.A OD2 no hydrogen 2.726 N/A ALA 86.A N ALA 82.A O no hydrogen 3.077 N/A ARG 87.A N GLU 83.A O no hydrogen 2.863 N/A PHE 88.A N VAL 84.A O no hydrogen 2.958 N/A GLY 89.A N LYS 85.A O no hydrogen 2.719 N/A VAL 92.A N ASP 110.A OD2 no hydrogen 2.909 N/A ILE 93.A N PHE 54.A O no hydrogen 2.852 N/A THR 94.A N VAL 111.A O no hydrogen 3.335 N/A THR 94.A OG1 ALA 56.A O no hydrogen 2.703 N/A VAL 96.A N GLN 113.A O no hydrogen 3.023 N/A HIS 97.A N GLN 101.A OE1 no hydrogen 2.864 N/A GLU 98.A N GLN 101.A OE1 no hydrogen 3.106 N/A GLN 101.A N GLU 98.A O no hydrogen 2.927 N/A ALA 102.A N ALA 99.A O no hydrogen 3.152 N/A VAL 105.A N GLN 101.A O no hydrogen 2.978 N/A ALA 106.A N ALA 102.A O no hydrogen 2.921 N/A GLU 107.A N ALA 103.A O no hydrogen 3.303 N/A GLU 107.A N PRO 104.A O no hydrogen 3.288 N/A ILE 108.A N VAL 105.A O no hydrogen 2.948 N/A ALA 109.A N VAL 105.A O no hydrogen 2.812 N/A ASP 110.A N VAL 92.A O no hydrogen 2.927 N/A VAL 111.A N VAL 92.A O no hydrogen 3.142 N/A LEU 112.A N PRO 134.A O no hydrogen 2.995 N/A GLN 113.A N THR 94.A O no hydrogen 2.877 N/A VAL 114.A N ASN 136.A O no hydrogen 2.900 N/A LEU 118.A N PRO 115.A O no hydrogen 2.901 N/A ALA 119.A N ALA 116.A O no hydrogen 3.363 N/A GLN 121.A N LEU 118.A O no hydrogen 2.862 N/A VAL 125.A N GLN 121.A O no hydrogen 2.953 N/A VAL 126.A N THR 122.A O no hydrogen 2.846 N/A ALA 127.A N ASP 123.A O no hydrogen 3.027 N/A ILE 128.A N LEU 124.A O no hydrogen 2.915 N/A ALA 129.A N VAL 125.A O no hydrogen 2.825 N/A LYS 130.A N VAL 126.A O no hydrogen 2.823 N/A ALA 131.A N ALA 127.A O no hydrogen 3.269 N/A ALA 131.A N ILE 128.A O no hydrogen 3.162 N/A GLY 132.A N ALA 129.A O no hydrogen 3.223 N/A LYS 133.A NZ ALA 106.A O no hydrogen 2.908 N/A LYS 133.A NZ ALA 109.A O no hydrogen 2.912 N/A VAL 135.A N ARG 162.A O no hydrogen 2.938 N/A ASN 136.A N LEU 112.A O no hydrogen 2.910 N/A ASN 136.A ND2 GLN 113.A OE1 no hydrogen 2.935 N/A VAL 137.A N MET 164.A O no hydrogen 2.833 N/A LYS 138.A N VAL 114.A O no hydrogen 3.100 N/A LYS 138.A NZ ASP 199.A OD2 no hydrogen 2.854 N/A LYS 139.A N CYS 166.A O no hydrogen 2.885 N/A LYS 139.A NZ GLU 167.A OE1 no hydrogen 2.912 N/A LYS 139.A NZ GLU 167.A OE2 no hydrogen 3.424 N/A GLN 141.A N GLN 141.A OE1.A no hydrogen 2.620 N/A MET 143.A N PRO 140.A O no hydrogen 3.074 N/A GLN 147.A N SER 144.A O no hydrogen 3.066 N/A HIS 150.A N GLN 147.A O no hydrogen 3.273 N/A VAL 152.A N LEU 148.A O no hydrogen 3.098 N/A SER 153.A N LYS 149.A O no hydrogen 2.849 N/A SER 153.A OG LYS 149.A O no hydrogen 3.091 N/A LYS 154.A N HIS 150.A O no hydrogen 3.136 N/A LYS 154.A NZ THR 122.A OG1 no hydrogen 2.661 N/A CYS 155.A N VAL 151.A O no hydrogen 3.225 N/A CYS 155.A SG VAL 151.A O no hydrogen 3.646 N/A GLY 156.A N VAL 152.A O no hydrogen 2.843 N/A GLU 157.A N SER 153.A O no hydrogen 2.903 N/A VAL 158.A N CYS 155.A O no hydrogen 3.201 N/A GLY 159.A N GLY 156.A O no hydrogen 2.979 N/A ASN 160.A N CYS 155.A O no hydrogen 3.053 N/A ASN 160.A ND2 ALA 129.A O no hydrogen 2.896 N/A ASN 160.A ND2 LYS 133.A O no hydrogen 2.840 N/A ARG 162.A N ASN 160.A OD1 no hydrogen 2.925 N/A ARG 162.A NH1 ALA 6.A O no hydrogen 3.203 N/A ARG 162.A NH2 GLY 132.A O no hydrogen 3.014 N/A MET 164.A N VAL 135.A O no hydrogen 2.741 N/A LEU 165.A N PRO 195.A O no hydrogen 2.818 N/A CYS 166.A N VAL 137.A O no hydrogen 2.824 N/A CYS 166.A SG ILE 197.A O no hydrogen 3.903 N/A GLU 167.A N ILE 197.A O no hydrogen 2.823 N/A ARG 168.A NE.A ARG 168.A O no hydrogen 2.508 N/A ARG 168.A NH1.A GLN 205.A OE1.A no hydrogen 2.613 N/A ARG 168.A NH1.B ARG 168.A O no hydrogen 3.063 N/A ARG 168.A NH1.B GLN 205.A OE1.A no hydrogen 3.381 N/A ARG 168.A NH2.A GLN 205.A OE1.A no hydrogen 3.439 N/A ARG 168.A NH2.B GLN 205.A OE1.A no hydrogen 2.775 N/A GLY 169.A N GLU 167.A OE2 no hydrogen 2.792 N/A SER 170.A N VAL 178.A O no hydrogen 2.831 N/A SER 171.A N GLN 141.A O no hydrogen 3.117 N/A SER 171.A OG GLN 141.A O no hydrogen 3.472 N/A PHE 172.A N ASN 176.A O no hydrogen 2.983 N/A LEU 177.A N ASN 176.A OD1 no hydrogen 2.869 N/A VAL 178.A N SER 170.A O no hydrogen 3.017 N/A LEU 182.A N ASP 180.A OD1 no hydrogen 3.003 N/A GLY 183.A N ASP 180.A O no hydrogen 2.978 N/A GLN 186.A NE2 LEU 182.A O no hydrogen 3.149 N/A MET 187.A N GLY 183.A O no hydrogen 2.836 N/A ALA 188.A N PHE 184.A O no hydrogen 3.076 N/A GLU 189.A N ARG 185.A O no hydrogen 2.900 N/A THR 190.A N GLN 186.A O no hydrogen 3.162 N/A THR 190.A OG1 GLN 186.A O no hydrogen 2.671 N/A THR 190.A OG1 MET 187.A O no hydrogen 3.544 N/A THR 191.A N ALA 188.A O no hydrogen 3.236 N/A THR 191.A OG1 MET 187.A O no hydrogen 2.751 N/A THR 191.A OG1 ALA 188.A O no hydrogen 3.315 N/A GLY 193.A N ALA 188.A O no hydrogen 2.785 N/A CYS 194.A SG VAL 163.A O no hydrogen 3.442 N/A CYS 194.A SG THR 191.A O no hydrogen 3.649 N/A VAL 196.A N ASN 15.A OD1 no hydrogen 2.883 N/A ILE 197.A N LEU 165.A O no hydrogen 2.753 N/A PHE 198.A N GLY 235.A O no hydrogen 2.982 N/A ASP 199.A N GLU 167.A O no hydrogen 2.791 N/A VAL 200.A N PHE 237.A O no hydrogen 3.107 N/A HIS 202.A N ASP 199.A OD1 no hydrogen 2.827 N/A HIS 202.A ND1 ASP 199.A OD2 no hydrogen 2.552 N/A SER 203.A N ASP 199.A O no hydrogen 3.236 N/A SER 203.A OG ASP 199.A O no hydrogen 2.743 N/A LEU 204.A N THR 201.A O no hydrogen 3.085 N/A GLN 205.A N HIS 202.A O no hydrogen 3.206 N/A GLN 205.A NE2.A ASP 250.A OD1 no hydrogen 2.884 N/A GLN 205.A NE2.B ASP 250.A OD1 no hydrogen 2.490 N/A ARG 207.A N ASP 175.A O no hydrogen 2.953 N/A LEU 210.A N ASP 208.A OD1 no hydrogen 2.849 N/A GLY 211.A N ASP 208.A O no hydrogen 3.117 N/A SER 214.A OG CYS 206.A O no hydrogen 3.347 N/A SER 214.A OG GLY 215.A O no hydrogen 2.619 N/A ARG 217.A NE LEU 204.A O no hydrogen 3.009 N/A ARG 217.A NH2 LEU 177.A O no hydrogen 3.297 N/A ARG 217.A NH2 GLN 205.A O no hydrogen 3.009 N/A ARG 218.A N PRO 252.A O no hydrogen 2.997 N/A ARG 218.A NH1 ASP 245.A OD1 no hydrogen 3.329 N/A ARG 218.A NH1 GLY 251.A O no hydrogen 2.998 N/A ARG 218.A NH2 ASP 245.A OD1 no hydrogen 2.742 N/A GLN 220.A N ARG 217.A O no hydrogen 2.941 N/A GLN 220.A NE2 ASP 223.A OD2 no hydrogen 3.257 N/A VAL 221.A N ARG 218.A O no hydrogen 3.091 N/A LEU 224.A N GLN 220.A O no hydrogen 3.298 N/A ALA 225.A N VAL 221.A O no hydrogen 2.844 N/A ARG 226.A N LEU 222.A O no hydrogen 2.839 N/A ARG 226.A NE GLN 266.A OE1 no hydrogen 2.891 N/A ARG 226.A NH2 GLN 266.A OE1 no hydrogen 2.895 N/A ALA 227.A N ASP 223.A O no hydrogen 3.245 N/A GLY 228.A N LEU 224.A O no hydrogen 3.015 N/A ILE 229.A N ALA 225.A O no hydrogen 3.018 N/A ALA 230.A N ARG 226.A O no hydrogen 3.072 N/A VAL 231.A N GLY 228.A O no hydrogen 3.174 N/A GLY 232.A N ILE 229.A O no hydrogen 3.171 N/A ALA 234.A N VAL 196.A O no hydrogen 2.877 N/A GLY 235.A N VAL 196.A O no hydrogen 3.317 N/A LEU 236.A N VAL 20.A O no hydrogen 3.021 N/A PHE 237.A N PHE 198.A O no hydrogen 2.757 N/A LEU 238.A N PHE 22.A O no hydrogen 2.971 N/A GLU 239.A N THR 201.A OG1 no hydrogen 2.846 N/A ALA 240.A N GLY 24.A O no hydrogen 2.914 N/A HIS 241.A N LEU 255.A O no hydrogen 2.904 N/A ASP 243.A N HIS 241.A ND1 no hydrogen 2.920 N/A ARG 246.A N ASP 243.A O no hydrogen 2.834 N/A ALA 247.A N PRO 244.A O no hydrogen 3.048 N/A CYS 249.A SG ASN 26.A OD1 no hydrogen 3.355 N/A SER 253.A N ASP 250.A O no hydrogen 3.104 N/A SER 253.A OG GLN 205.A OE1.B no hydrogen 2.573 N/A ALA 254.A N GLY 251.A O no hydrogen 3.122 N/A LEU 255.A N GLU 239.A O no hydrogen 2.989 N/A LEU 257.A N HIS 241.A O no hydrogen 2.827 N/A GLN 259.A N PRO 256.A O no hydrogen 2.863 N/A LEU 260.A N LEU 257.A O no hydrogen 3.001 N/A LEU 263.A N GLN 259.A O no hydrogen 3.021 N/A LEU 264.A N LEU 260.A O no hydrogen 2.931 N/A SER 265.A N GLU 261.A O no hydrogen 2.945 N/A SER 265.A OG GLU 261.A O no hydrogen 3.081 N/A SER 265.A OG GLY 262.A O no hydrogen 3.158 N/A MET 267.A N LEU 263.A O no hydrogen 3.070 N/A LYS 268.A N LEU 264.A O no hydrogen 2.864 N/A LYS 268.A NZ ASP 272.A OD2 no hydrogen 2.588 N/A ALA 269.A N SER 265.A O no hydrogen 3.088 N/A ILE 270.A N GLN 266.A O no hydrogen 3.013 N/A ASP 271.A N MET 267.A O no hydrogen 2.793 N/A ASP 272.A N LYS 268.A O no hydrogen 2.841 N/A LEU 273.A N ALA 269.A O no hydrogen 3.192 N/A VAL 274.A N ILE 270.A O no hydrogen 2.949 N/A LYS 275.A N ASP 271.A O no hydrogen 2.958 N/A LYS 275.A NZ LEU 17.A O no hydrogen 2.652 N/A LYS 275.A NZ ILE 233.A O no hydrogen 2.844 N/A LYS 275.A NZ ASP 271.A OD1 no hydrogen 2.644 N/A ARG 276.A N LEU 273.A O no hydrogen 3.170 N/A MET 277.A N VAL 274.A O no hydrogen 2.997 N/A