Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3b3l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ THR 129.A O no hydrogen 3.299 N/A GLN 3.A N GLN 130.A O no hydrogen 2.978 N/A GLN 3.A NE2 CYS 55.A O no hydrogen 3.506 N/A GLN 3.A NE2 ASP 80.A OD2 no hydrogen 3.454 N/A ILE 4.A N PRO 54.A O no hydrogen 2.995 N/A LEU 5.A N TRP 133.A O no hydrogen 3.002 N/A CYS 6.A N ALA 56.A O no hydrogen 2.867 N/A VAL 7.A N HIS 135.A O no hydrogen 2.848 N/A GLY 8.A N MET 58.A O no hydrogen 2.982 N/A LEU 9.A N GLU 137.A OE1 no hydrogen 3.232 N/A VAL 11.A N GLY 38.A O no hydrogen 3.308 N/A LEU 12.A N PRO 93.A O no hydrogen 3.053 N/A ASP 13.A N GLN 36.A O no hydrogen 2.850 N/A VAL 14.A N SER 95.A O no hydrogen 2.641 N/A ILE 15.A N ARG 34.A O no hydrogen 2.889 N/A SER 16.A N CYS 97.A O no hydrogen 2.735 N/A LEU 17.A N SER 32.A O no hydrogen 3.011 N/A VAL 18.A N ILE 99.A O no hydrogen 2.843 N/A SER 26.A OG LYS 23.A O no hydrogen 2.497 N/A CYS 30.A SG SER 32.A O no hydrogen 3.568 N/A LEU 31.A N LEU 17.A O no hydrogen 3.075 N/A ARG 34.A N ILE 15.A O no hydrogen 2.971 N/A ARG 34.A NE GLN 36.A OE1 no hydrogen 2.891 N/A ARG 34.A NH2 GLN 36.A OE1 no hydrogen 3.189 N/A GLN 36.A N ASP 13.A O no hydrogen 2.842 N/A ARG 37.A NE ASP 73.A OD1 no hydrogen 2.591 N/A ARG 37.A NH1 SER 42.A O no hydrogen 2.987 N/A ARG 37.A NH1 SER 42.A OG no hydrogen 2.699 N/A ARG 37.A NH2 THR 46.A OG1 no hydrogen 2.639 N/A ARG 37.A NH2 ASP 73.A OD1 no hydrogen 3.072 N/A GLY 38.A N VAL 11.A O no hydrogen 2.869 N/A ALA 41.A N GLU 137.A OE1 no hydrogen 2.987 N/A ASN 43.A N GLY 39.A O no hydrogen 2.642 N/A ASN 43.A ND2 ASP 256.A OD2 no hydrogen 2.904 N/A SER 44.A N ASN 40.A O no hydrogen 2.992 N/A SER 44.A OG ASN 40.A O no hydrogen 3.387 N/A SER 44.A OG ASP 256.A O no hydrogen 3.343 N/A CYS 45.A N ALA 41.A O no hydrogen 3.281 N/A CYS 45.A SG ALA 41.A O no hydrogen 3.368 N/A CYS 45.A SG ALA 56.A O no hydrogen 3.670 N/A THR 46.A N SER 42.A O no hydrogen 3.193 N/A THR 46.A OG1 SER 42.A O no hydrogen 3.267 N/A VAL 47.A N ASN 43.A O no hydrogen 2.858 N/A LEU 48.A N SER 44.A O no hydrogen 2.747 N/A SER 49.A N CYS 45.A O no hydrogen 2.913 N/A SER 49.A OG ARG 77.A O no hydrogen 2.558 N/A LEU 50.A N THR 46.A O no hydrogen 3.167 N/A LEU 51.A N VAL 47.A O no hydrogen 2.987 N/A GLY 52.A N SER 49.A O no hydrogen 2.932 N/A ALA 53.A N LEU 48.A O no hydrogen 2.833 N/A CYS 55.A SG CYS 45.A O no hydrogen 3.555 N/A ALA 56.A N ILE 4.A O no hydrogen 2.647 N/A PHE 57.A N ASP 80.A O no hydrogen 2.906 N/A MET 58.A N CYS 6.A O no hydrogen 2.847 N/A SER 60.A OG PRO 116.A O no hydrogen 2.667 N/A MET 61.A N ALA 85.A O no hydrogen 3.185 N/A ALA 62.A N THR 92.A OG1 no hydrogen 2.938 N/A ASP 68.A N GLY 64.A O no hydrogen 2.975 N/A PHE 69.A N HIS 65.A O no hydrogen 2.953 N/A LEU 70.A N VAL 66.A O no hydrogen 2.749 N/A VAL 71.A N ALA 67.A O no hydrogen 2.694 N/A ALA 72.A N ASP 68.A O no hydrogen 3.094 N/A ASP 73.A N PHE 69.A O no hydrogen 3.057 N/A PHE 74.A N LEU 70.A O no hydrogen 3.055 N/A ARG 75.A N VAL 71.A O no hydrogen 2.956 N/A ARG 76.A N ALA 72.A O no hydrogen 3.035 N/A ARG 76.A NH1 ASP 73.A OD2 no hydrogen 2.945 N/A ARG 77.A N ASP 73.A O no hydrogen 3.171 N/A ARG 77.A NH1 ASP 293.A OD1 no hydrogen 3.367 N/A ARG 77.A NH2 ASP 293.A OD1 no hydrogen 2.593 N/A ARG 77.A NH2 ASP 293.A OD2 no hydrogen 3.337 N/A GLY 78.A N ARG 75.A O no hydrogen 2.845 N/A VAL 79.A N PHE 74.A O no hydrogen 2.815 N/A ASP 80.A N CYS 55.A O no hydrogen 3.123 N/A SER 82.A N ASP 80.A OD1 no hydrogen 2.890 N/A SER 82.A OG ASP 80.A OD1 no hydrogen 2.605 N/A SER 82.A OG ASP 80.A OD2 no hydrogen 3.100 N/A GLN 83.A NE2 SER 82.A OG no hydrogen 3.107 N/A VAL 84.A N VAL 81.A O no hydrogen 3.157 N/A ALA 85.A N GLY 59.A O no hydrogen 2.945 N/A GLN 87.A N MET 61.A O no hydrogen 2.824 N/A GLN 87.A NE2 SER 60.A OG no hydrogen 3.341 N/A GLN 87.A NE2 ALA 85.A O no hydrogen 3.408 N/A THR 92.A OG1 ALA 62.A O no hydrogen 2.865 N/A SER 94.A N HIS 111.A O no hydrogen 2.915 N/A SER 95.A N LEU 12.A O no hydrogen 2.753 N/A SER 95.A OG ASP 13.A OD1 no hydrogen 2.327 N/A CYS 96.A N VAL 109.A O no hydrogen 3.085 N/A CYS 97.A N VAL 14.A O no hydrogen 2.773 N/A CYS 97.A SG SER 95.A OG no hydrogen 3.552 N/A ILE 98.A N THR 107.A O no hydrogen 2.986 N/A ILE 99.A N SER 16.A O no hydrogen 2.606 N/A ASN 100.A N ASN 105.A O no hydrogen 3.024 N/A ASN 100.A ND2 ASP 19.A O no hydrogen 3.179 N/A ASN 103.A N ASN 103.A OD1 no hydrogen 2.318 N/A THR 107.A N ILE 98.A O no hydrogen 3.127 N/A VAL 109.A N CYS 96.A O no hydrogen 2.999 N/A HIS 111.A N SER 94.A O no hydrogen 2.744 N/A SER 114.A N ASP 112.A OD1 no hydrogen 2.907 N/A SER 119.A N ASP 122.A OD2 no hydrogen 3.104 N/A ALA 120.A N GLU 143.A OE1 no hydrogen 2.713 N/A ASP 122.A N SER 119.A OG no hydrogen 2.972 N/A PHE 123.A N SER 119.A O no hydrogen 3.063 N/A GLU 124.A N ALA 120.A O no hydrogen 2.928 N/A LYS 125.A N ASP 122.A O no hydrogen 3.332 N/A VAL 126.A N PHE 123.A O no hydrogen 3.048 N/A THR 129.A N ASP 127.A OD1 no hydrogen 2.724 N/A THR 129.A OG1 ASP 127.A OD1 no hydrogen 2.557 N/A GLN 130.A NE2 GLN 3.A OE1 no hydrogen 3.514 N/A PHE 131.A N LEU 128.A O no hydrogen 2.993 N/A LYS 132.A N GLN 3.A O no hydrogen 2.987 N/A TRP 133.A NE1 SER 167.A OG no hydrogen 2.750 N/A ILE 134.A N ARG 165.A O no hydrogen 2.919 N/A HIS 135.A N LEU 5.A O no hydrogen 2.979 N/A HIS 135.A ND1 SER 167.A OG no hydrogen 2.614 N/A ILE 136.A N SER 167.A O no hydrogen 3.054 N/A GLU 137.A N VAL 7.A O no hydrogen 3.001 N/A GLY 138.A N GLU 169.A O no hydrogen 2.947 N/A ARG 139.A N GLN 144.A OE1 no hydrogen 2.790 N/A ARG 139.A NE ASP 117.A OD1 no hydrogen 2.634 N/A ASN 140.A N ASN 140.A OD1 no hydrogen 2.594 N/A ASN 140.A ND2 VAL 118.A O no hydrogen 2.839 N/A ALA 141.A N GLU 176.A OE2 no hydrogen 3.290 N/A GLU 143.A N ASN 140.A O no hydrogen 3.228 N/A GLN 144.A N ASN 140.A O no hydrogen 3.076 N/A GLN 144.A NE2 GLU 137.A O no hydrogen 2.918 N/A VAL 145.A N ALA 141.A O no hydrogen 2.893 N/A LYS 146.A NZ GLU 143.A OE2 no hydrogen 2.901 N/A MET 147.A N GLU 143.A O no hydrogen 3.157 N/A LEU 148.A N GLN 144.A O no hydrogen 2.894 N/A GLN 149.A N VAL 145.A O no hydrogen 2.790 N/A ARG 150.A N LYS 146.A O no hydrogen 2.762 N/A ARG 150.A NH1 VAL 126.A O no hydrogen 3.060 N/A ARG 150.A NH2 VAL 126.A O no hydrogen 2.881 N/A ILE 151.A N MET 147.A O no hydrogen 2.967 N/A ASP 152.A N LEU 148.A O no hydrogen 2.834 N/A ALA 153.A N GLN 149.A O no hydrogen 2.931 N/A HIS 154.A N ARG 150.A O no hydrogen 3.003 N/A ASN 155.A N ILE 151.A O no hydrogen 2.966 N/A ASN 155.A ND2 ILE 164.A O no hydrogen 2.819 N/A THR 156.A N ASP 152.A O no hydrogen 3.289 N/A THR 156.A OG1 ALA 153.A O no hydrogen 2.843 N/A ARG 157.A N HIS 154.A O no hydrogen 3.111 N/A GLN 158.A N ASN 155.A O no hydrogen 3.064 N/A GLN 162.A N PRO 159.A O no hydrogen 3.021 N/A LYS 163.A N PRO 160.A O no hydrogen 3.174 N/A LYS 163.A NZ ASN 155.A O no hydrogen 3.047 N/A ILE 164.A N ASN 155.A OD1 no hydrogen 2.759 N/A ARG 165.A N LYS 132.A O no hydrogen 3.085 N/A ARG 165.A NE LYS 163.A O no hydrogen 3.339 N/A VAL 166.A N ASP 185.A OD1 no hydrogen 3.022 N/A SER 167.A N ILE 134.A O no hydrogen 2.803 N/A SER 167.A OG HIS 135.A ND1 no hydrogen 2.614 N/A VAL 168.A N VAL 186.A O no hydrogen 2.876 N/A GLU 169.A N ILE 136.A O no hydrogen 3.050 N/A VAL 170.A N PHE 188.A O no hydrogen 2.852 N/A LYS 172.A NZ GLU 171.A OE2 no hydrogen 2.677 N/A ARG 174.A N LYS 172.A O no hydrogen 3.225 N/A LEU 177.A N ARG 174.A O no hydrogen 3.230 N/A PHE 178.A N GLU 175.A O no hydrogen 3.245 N/A GLN 179.A N GLU 176.A O no hydrogen 3.520 N/A GLN 179.A NE2 GLU 176.A O no hydrogen 3.264 N/A LEU 180.A N LEU 177.A O no hydrogen 2.726 N/A PHE 181.A N PHE 178.A O no hydrogen 3.224 N/A TYR 183.A N LEU 180.A O no hydrogen 2.841 N/A ASP 185.A N VAL 166.A O no hydrogen 2.597 N/A VAL 186.A N VAL 166.A O no hydrogen 3.109 N/A VAL 187.A N VAL 218.A O no hydrogen 2.988 N/A PHE 188.A N VAL 168.A O no hydrogen 2.751 N/A VAL 189.A N VAL 220.A O no hydrogen 2.829 N/A SER 190.A N VAL 170.A O no hydrogen 3.334 N/A SER 190.A OG GLU 171.A O no hydrogen 3.439 N/A ALA 194.A N SER 190.A O no hydrogen 2.863 N/A LYS 195.A N LYS 191.A O no hydrogen 2.693 N/A HIS 196.A N ASP 192.A O no hydrogen 3.134 N/A LEU 197.A N VAL 193.A O no hydrogen 2.909 N/A GLY 198.A N LYS 195.A O no hydrogen 2.888 N/A PHE 199.A N ALA 194.A O no hydrogen 3.031 N/A GLN 200.A N GLU 204.A OE1 no hydrogen 3.241 N/A GLN 200.A N GLU 204.A OE2 no hydrogen 3.505 N/A GLN 200.A NE2 GLY 198.A O no hydrogen 3.321 N/A GLU 203.A N GLU 203.A OE1 no hydrogen 2.680 N/A GLU 204.A N SER 201.A OG no hydrogen 3.372 N/A ALA 205.A N SER 201.A O no hydrogen 3.235 N/A LEU 206.A N ALA 202.A O no hydrogen 3.020 N/A ARG 207.A N GLU 203.A O no hydrogen 3.113 N/A GLY 208.A N GLU 204.A O no hydrogen 2.697 N/A GLY 208.A N ALA 205.A O no hydrogen 3.183 N/A LEU 209.A N ALA 205.A O no hydrogen 2.845 N/A LEU 209.A N LEU 206.A O no hydrogen 3.253 N/A TYR 210.A N LEU 206.A O no hydrogen 2.851 N/A TYR 210.A OH ALA 217.A O no hydrogen 2.828 N/A ARG 212.A N LEU 209.A O no hydrogen 2.850 N/A VAL 213.A N TYR 210.A O no hydrogen 3.041 N/A ALA 217.A N ARG 214.A O no hydrogen 3.395 N/A VAL 218.A N ASP 185.A O no hydrogen 2.895 N/A LEU 219.A N LEU 231.A O no hydrogen 2.910 N/A VAL 220.A N VAL 187.A O no hydrogen 2.770 N/A CYS 221.A N ASP 229.A O no hydrogen 3.027 N/A CYS 221.A SG VAL 189.A O no hydrogen 3.445 N/A TRP 223.A N GLY 227.A O no hydrogen 2.801 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 2.700 N/A GLU 226.A N TRP 223.A O no hydrogen 3.029 N/A GLY 227.A N ALA 224.A O no hydrogen 2.719 N/A ALA 228.A N SER 240.A O no hydrogen 3.042 N/A ASP 229.A N CYS 221.A O no hydrogen 3.068 N/A ALA 230.A N LEU 238.A O no hydrogen 2.931 N/A LEU 231.A N LEU 219.A O no hydrogen 2.945 N/A GLY 235.A N GLY 232.A O no hydrogen 3.017 N/A LEU 238.A N ALA 230.A O no hydrogen 2.940 N/A HIS 239.A ND1 ASP 229.A OD1 no hydrogen 2.951 N/A HIS 239.A NE2 ASP 241.A OD1 no hydrogen 2.617 N/A SER 240.A N ALA 228.A O no hydrogen 2.983 N/A SER 240.A OG ASP 241.A O no hydrogen 3.051 N/A VAL 249.A N CYS 287.A O no hydrogen 2.848 N/A ASP 250.A N CYS 287.A O no hydrogen 3.311 N/A LEU 252.A N ASP 250.A OD1 no hydrogen 3.297 N/A ALA 254.A N THR 251.A O no hydrogen 2.880 N/A THR 257.A N GLY 253.A O no hydrogen 2.755 N/A THR 257.A OG1 GLY 253.A O no hydrogen 2.753 N/A PHE 258.A N ALA 254.A O no hydrogen 2.833 N/A ASN 259.A N GLY 255.A O no hydrogen 2.945 N/A ASN 259.A ND2 GLU 169.A OE2 no hydrogen 2.917 N/A ALA 260.A N ASP 256.A O no hydrogen 3.131 N/A SER 261.A N THR 257.A O no hydrogen 3.165 N/A SER 261.A OG THR 257.A O no hydrogen 2.777 N/A VAL 262.A N PHE 258.A O no hydrogen 3.025 N/A ILE 263.A N ASN 259.A O no hydrogen 2.857 N/A PHE 264.A N ALA 260.A O no hydrogen 2.791 N/A SER 265.A N SER 261.A O no hydrogen 2.974 N/A LEU 266.A N VAL 262.A O no hydrogen 3.023 N/A SER 267.A N ILE 263.A O no hydrogen 2.837 N/A GLN 268.A N PHE 264.A O no hydrogen 2.915 N/A GLY 269.A N LEU 266.A O no hydrogen 2.983 N/A ARG 270.A N SER 265.A O no hydrogen 3.218 N/A SER 271.A N GLU 274.A OE1 no hydrogen 3.028 N/A SER 271.A OG GLU 274.A OE1 no hydrogen 3.262 N/A GLN 273.A NE2 HIS 239.A O no hydrogen 2.905 N/A GLN 273.A NE2 GLN 273.A O no hydrogen 3.367 N/A GLU 274.A N SER 271.A OG no hydrogen 3.260 N/A ALA 275.A N SER 271.A O no hydrogen 2.702 N/A LEU 276.A N VAL 272.A O no hydrogen 2.712 N/A ARG 277.A N GLN 273.A O no hydrogen 3.028 N/A PHE 278.A N GLU 274.A O no hydrogen 2.848 N/A GLY 279.A N ALA 275.A O no hydrogen 2.865 N/A CYS 280.A N LEU 276.A O no hydrogen 3.049 N/A CYS 280.A SG SER 240.A OG no hydrogen 3.616 N/A CYS 280.A SG ASP 241.A O no hydrogen 3.516 N/A CYS 280.A SG LEU 276.A O no hydrogen 3.465 N/A GLN 281.A N ARG 277.A O no hydrogen 2.951 N/A VAL 282.A N PHE 278.A O no hydrogen 3.093 N/A ALA 283.A N GLY 279.A O no hydrogen 3.111 N/A GLY 284.A N CYS 280.A O no hydrogen 3.018 N/A LYS 285.A N GLN 281.A O no hydrogen 2.989 N/A LYS 285.A NZ ILE 295.A O no hydrogen 2.847 N/A LYS 286.A N VAL 282.A O no hydrogen 2.944 N/A LYS 286.A NZ ASP 250.A O no hydrogen 2.905 N/A LYS 286.A NZ ASP 250.A OD2 no hydrogen 2.932 N/A LYS 286.A NZ LYS 286.A O no hydrogen 2.717 N/A LYS 286.A NZ GLY 291.A O no hydrogen 3.217 N/A CYS 287.A N ALA 283.A O no hydrogen 3.212 N/A CYS 287.A SG ALA 283.A O no hydrogen 3.364 N/A GLY 288.A N LYS 285.A O no hydrogen 3.015 N/A LEU 289.A N LYS 286.A O no hydrogen 2.897 N/A GLY 291.A N ASP 250.A OD2 no hydrogen 3.230 N/A ILE 295.A N PHE 292.A O no hydrogen 3.452 N/A