Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3b3d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N MET 1.A O no hydrogen 2.997 N/A ALA 7.A N HIS 4.A O no hydrogen 2.921 N/A ALA 9.A N MET 17.A O no hydrogen 2.690 N/A THR 10.A OG1 GLU 16.A OE2 no hydrogen 2.680 N/A LEU 11.A N VAL 15.A O no hydrogen 2.849 N/A HIS 12.A NE2 LYS 162.A O no hydrogen 3.100 N/A ASN 13.A ND2 TYR 134.A OH no hydrogen 2.557 N/A ASN 13.A ND2 LYS 140.A O no hydrogen 3.039 N/A GLY 14.A N LEU 11.A O no hydrogen 2.886 N/A VAL 15.A N ASN 13.A OD1 no hydrogen 3.343 N/A MET 17.A N ALA 9.A O no hydrogen 2.797 N/A TRP 19.A N ALA 7.A O no hydrogen 2.928 N/A GLY 21.A N THR 233.A O no hydrogen 2.893 N/A LEU 22.A N SER 47.A O no hydrogen 2.918 N/A GLY 23.A N PRO 235.A O no hydrogen 3.167 N/A VAL 24.A N ASP 49.A O no hydrogen 2.886 N/A VAL 27.A N PHE 25.A O no hydrogen 2.614 N/A VAL 34.A N GLY 30.A O no hydrogen 2.689 N/A ASN 35.A N SER 31.A O no hydrogen 3.212 N/A ALA 36.A N GLU 32.A O no hydrogen 2.936 N/A VAL 37.A N LEU 33.A O no hydrogen 3.122 N/A LYS 38.A N VAL 34.A O no hydrogen 3.079 N/A THR 39.A N ASN 35.A O no hydrogen 2.784 N/A THR 39.A OG1 ASN 35.A O no hydrogen 2.674 N/A THR 39.A OG1 ASN 35.A OD1 no hydrogen 3.504 N/A ALA 40.A N ALA 36.A O no hydrogen 3.032 N/A ILE 41.A N VAL 37.A O no hydrogen 3.172 N/A VAL 42.A N LYS 38.A O no hydrogen 2.984 N/A HIS 43.A N THR 39.A O no hydrogen 3.008 N/A GLY 44.A N ALA 40.A O no hydrogen 3.098 N/A TYR 45.A N ALA 40.A O no hydrogen 2.900 N/A TYR 45.A OH ILE 243.A O no hydrogen 2.687 N/A ARG 46.A NH2 ILE 41.A O no hydrogen 2.691 N/A ARG 46.A NH2 TYR 45.A O no hydrogen 2.722 N/A ILE 48.A N PHE 79.A O no hydrogen 2.903 N/A ASP 49.A N LEU 22.A O no hydrogen 2.843 N/A THR 50.A N THR 81.A O no hydrogen 2.871 N/A THR 50.A OG1 ALA 51.A O no hydrogen 3.274 N/A ALA 51.A N THR 50.A OG1 no hydrogen 2.577 N/A ALA 52.A N LYS 83.A O no hydrogen 3.422 N/A TYR 54.A OH ASP 49.A O no hydrogen 3.289 N/A GLY 55.A N ALA 52.A O no hydrogen 3.036 N/A ASN 56.A ND2 PHE 25.A O no hydrogen 3.168 N/A ASN 56.A ND2 VAL 27.A O no hydrogen 2.676 N/A GLY 59.A N GLU 29.A OE2 no hydrogen 3.156 N/A VAL 60.A N ASN 56.A O no hydrogen 3.122 N/A GLY 61.A N GLU 57.A O no hydrogen 2.782 N/A GLU 62.A N ALA 58.A O no hydrogen 3.121 N/A GLY 63.A N GLY 59.A O no hydrogen 3.017 N/A ILE 64.A N VAL 60.A O no hydrogen 2.833 N/A ARG 65.A N GLY 61.A O no hydrogen 3.044 N/A ARG 65.A NH1 GLU 62.A OE1 no hydrogen 2.702 N/A GLU 66.A N GLU 62.A O no hydrogen 2.877 N/A GLY 67.A N GLY 63.A O no hydrogen 2.863 N/A ILE 68.A N ILE 64.A O no hydrogen 2.791 N/A GLU 69.A N ARG 65.A O no hydrogen 3.216 N/A GLU 70.A N GLU 66.A O no hydrogen 3.021 N/A ALA 71.A N GLY 67.A O no hydrogen 2.951 N/A GLY 72.A N ILE 68.A O no hydrogen 3.000 N/A ILE 73.A N ILE 68.A O no hydrogen 3.174 N/A SER 74.A N ASP 77.A OD2 no hydrogen 2.831 N/A ARG 75.A NH1 TYR 109.A O no hydrogen 3.028 N/A ARG 75.A NH1 ASP 111.A OD2 no hydrogen 2.814 N/A ARG 75.A NH2 ARG 75.A O no hydrogen 2.873 N/A ARG 75.A NH2 LEU 78.A O no hydrogen 2.893 N/A ARG 75.A NH2 ASP 111.A OD2 no hydrogen 3.048 N/A ASP 77.A N SER 74.A O no hydrogen 2.996 N/A LEU 78.A N ARG 75.A O no hydrogen 3.060 N/A PHE 79.A N ARG 46.A O no hydrogen 2.787 N/A ILE 80.A N ASP 111.A OD2 no hydrogen 2.829 N/A THR 81.A N ILE 48.A O no hydrogen 2.985 N/A SER 82.A N LEU 112.A O no hydrogen 3.261 N/A SER 82.A OG GLU 57.A OE2 no hydrogen 2.919 N/A LYS 83.A NZ ASP 49.A OD2 no hydrogen 2.874 N/A LYS 83.A NZ THR 50.A O no hydrogen 3.063 N/A VAL 84.A N LEU 114.A O no hydrogen 2.907 N/A ASN 86.A ND2 PHE 280.A O no hydrogen 2.976 N/A ASP 88.A N TRP 85.A O no hydrogen 2.829 N/A LEU 89.A N ASN 86.A O no hydrogen 3.278 N/A TYR 91.A OH THR 132.A OG1 no hydrogen 2.902 N/A GLU 93.A N GLU 93.A OE2 no hydrogen 3.138 N/A THR 94.A N GLY 90.A O no hydrogen 2.959 N/A THR 94.A OG1 ASP 88.A O no hydrogen 2.834 N/A THR 94.A OG1 GLY 90.A O no hydrogen 2.704 N/A LEU 95.A N TYR 91.A O no hydrogen 3.175 N/A ALA 96.A N GLU 92.A O no hydrogen 2.864 N/A ALA 97.A N GLU 93.A O no hydrogen 2.957 N/A PHE 98.A N THR 94.A O no hydrogen 3.101 N/A GLU 99.A N LEU 95.A O no hydrogen 3.315 N/A THR 100.A N ALA 96.A O no hydrogen 3.024 N/A THR 100.A OG1 ALA 96.A O no hydrogen 3.186 N/A SER 101.A N ALA 97.A O no hydrogen 2.952 N/A SER 101.A OG GLU 57.A OE2 no hydrogen 2.971 N/A SER 101.A OG ALA 97.A O no hydrogen 3.117 N/A LEU 102.A N PHE 98.A O no hydrogen 2.981 N/A SER 103.A N GLU 99.A O no hydrogen 3.093 N/A SER 103.A OG GLU 99.A O no hydrogen 2.993 N/A LYS 104.A N THR 100.A O no hydrogen 3.192 N/A LEU 105.A N SER 101.A O no hydrogen 3.015 N/A GLY 106.A N SER 103.A O no hydrogen 3.164 N/A LEU 107.A N LEU 102.A O no hydrogen 3.009 N/A LEU 110.A N ARG 138.A O no hydrogen 3.345 N/A ASP 111.A N ILE 80.A O no hydrogen 3.141 N/A LEU 112.A N ILE 80.A O no hydrogen 3.086 N/A TYR 113.A N ALA 141.A O no hydrogen 3.336 N/A LEU 114.A N SER 82.A O no hydrogen 2.949 N/A ILE 115.A N GLY 143.A O no hydrogen 3.132 N/A HIS 116.A N VAL 84.A O no hydrogen 3.046 N/A VAL 119.A N TRP 117.A O no hydrogen 2.885 N/A LYS 122.A N VAL 119.A O no hydrogen 2.952 N/A TYR 123.A N VAL 119.A O no hydrogen 3.209 N/A LYS 124.A NZ ASP 154.A OD1 no hydrogen 2.560 N/A LYS 124.A NZ ASP 154.A OD2 no hydrogen 3.323 N/A ALA 126.A N LYS 122.A O no hydrogen 3.200 N/A TRP 127.A N TYR 123.A O no hydrogen 2.805 N/A TRP 127.A NE1 ILE 161.A O no hydrogen 2.860 N/A ARG 128.A N LYS 124.A O no hydrogen 3.211 N/A ARG 128.A NE GLU 125.A OE1 no hydrogen 2.906 N/A ARG 128.A NH2 GLU 125.A OE1 no hydrogen 3.561 N/A ARG 128.A NH2 GLU 125.A OE2 no hydrogen 2.630 N/A ALA 129.A N GLU 125.A O no hydrogen 3.285 N/A LEU 130.A N ALA 126.A O no hydrogen 3.038 N/A GLU 131.A N TRP 127.A O no hydrogen 2.848 N/A THR 132.A N ARG 128.A O no hydrogen 2.932 N/A THR 132.A OG1 TYR 91.A OH no hydrogen 2.902 N/A THR 132.A OG1 ARG 128.A O no hydrogen 3.082 N/A LEU 133.A N ALA 129.A O no hydrogen 3.062 N/A TYR 134.A N LEU 130.A O no hydrogen 2.808 N/A LYS 135.A N GLU 131.A O no hydrogen 2.768 N/A GLU 136.A N THR 132.A O no hydrogen 2.846 N/A GLY 137.A N TYR 134.A O no hydrogen 2.965 N/A ARG 138.A N LEU 133.A O no hydrogen 2.922 N/A ARG 138.A NH1 GLU 99.A OE1 no hydrogen 3.203 N/A ARG 138.A NH2 GLU 99.A OE2 no hydrogen 2.869 N/A LYS 140.A N LEU 110.A O no hydrogen 3.064 N/A ALA 141.A N ASP 111.A O no hydrogen 2.746 N/A GLY 143.A N TYR 113.A O no hydrogen 3.216 N/A VAL 144.A N ILE 165.A O no hydrogen 3.029 N/A SER 145.A OG.A GLN 167.A O no hydrogen 2.999 N/A ASN 146.A N GLN 167.A O no hydrogen 2.925 N/A ASN 146.A ND2 HIS 116.A O no hydrogen 2.950 N/A GLN 148.A N HIS 151.A ND1 no hydrogen 3.099 N/A GLN 148.A NE2 ASP 276.A OD2 no hydrogen 3.132 N/A LEU 152.A N GLN 148.A O no hydrogen 3.011 N/A GLU 153.A N ILE 149.A O no hydrogen 2.849 N/A ASP 154.A N HIS 150.A O no hydrogen 2.904 N/A LEU 155.A N HIS 151.A O no hydrogen 2.943 N/A MET 156.A N LEU 152.A O no hydrogen 3.103 N/A MET 156.A N GLU 153.A O no hydrogen 3.264 N/A THR 157.A N ASP 154.A O no hydrogen 3.465 N/A THR 157.A OG1 ASP 154.A O no hydrogen 3.008 N/A ALA 158.A N LEU 155.A O no hydrogen 3.432 N/A GLU 160.A N GLU 131.A OE2 no hydrogen 2.868 N/A ILE 161.A N GLU 131.A OE2 no hydrogen 2.609 N/A LYS 162.A NZ GLN 186.A O no hydrogen 3.330 N/A MET 164.A N ILE 142.A O no hydrogen 2.893 N/A ASN 166.A N GLN 189.A O no hydrogen 2.791 N/A ASN 166.A ND2 VAL 144.A O no hydrogen 3.650 N/A GLN 167.A N VAL 144.A O no hydrogen 2.872 N/A GLN 167.A NE2 ASP 49.A OD1 no hydrogen 2.947 N/A GLN 167.A NE2 GLU 191.A OE2 no hydrogen 2.849 N/A VAL 168.A N GLU 191.A O no hydrogen 2.883 N/A HIS 171.A N LEU 174.A O no hydrogen 3.216 N/A HIS 171.A NE2 GLU 169.A OE2 no hydrogen 2.913 N/A ARG 173.A N HIS 171.A ND1 no hydrogen 3.136 N/A ARG 173.A NE GLU 267.A OE2 no hydrogen 3.333 N/A LEU 174.A N HIS 171.A O no hydrogen 2.977 N/A THR 175.A N ASN 266.A OD1 no hydrogen 3.153 N/A ILE 180.A N GLN 176.A O no hydrogen 2.897 N/A ARG 181.A N LYS 177.A O no hydrogen 3.136 N/A TYR 182.A N GLU 178.A O no hydrogen 3.015 N/A CYS 183.A N LEU 179.A O no hydrogen 2.983 N/A CYS 183.A SG ASN 166.A OD1 no hydrogen 3.985 N/A CYS 183.A SG LEU 179.A O no hydrogen 3.403 N/A GLN 184.A N ILE 180.A O no hydrogen 2.854 N/A ASN 185.A N ARG 181.A O no hydrogen 2.998 N/A GLN 186.A N TYR 182.A O no hydrogen 3.054 N/A GLN 186.A N CYS 183.A O no hydrogen 3.068 N/A GLY 187.A N GLN 184.A O no hydrogen 3.110 N/A ILE 188.A N CYS 183.A O no hydrogen 2.782 N/A GLN 189.A N MET 164.A O no hydrogen 3.019 N/A GLN 189.A NE2 MET 190.A O no hydrogen 2.981 N/A GLN 189.A NE2 GLY 230.A O no hydrogen 2.979 N/A GLU 191.A N ASN 166.A O no hydrogen 3.259 N/A ALA 192.A N ILE 232.A O no hydrogen 2.637 N/A TRP 193.A N VAL 168.A O no hydrogen 2.792 N/A MET 197.A N SER 194.A O no hydrogen 3.050 N/A GLY 199.A N LEU 196.A O no hydrogen 2.874 N/A GLN 200.A N MET 197.A O no hydrogen 3.196 N/A LEU 202.A N GLY 199.A O no hydrogen 3.214 N/A HIS 204.A N LEU 201.A O no hydrogen 2.557 N/A VAL 206.A N HIS 204.A ND1 no hydrogen 3.188 N/A ALA 208.A N HIS 204.A O no hydrogen 2.622 N/A ASP 209.A N PRO 205.A O no hydrogen 2.904 N/A ILE 210.A N VAL 206.A O no hydrogen 3.034 N/A ALA 211.A N LEU 207.A O no hydrogen 2.864 N/A GLN 212.A N ALA 208.A O no hydrogen 3.024 N/A THR 213.A N ASP 209.A O no hydrogen 3.018 N/A TYR 214.A N ILE 210.A O no hydrogen 3.348 N/A TYR 214.A N ALA 211.A O no hydrogen 3.274 N/A TYR 214.A OH ASP 258.A OD1 no hydrogen 2.467 N/A ASN 215.A N GLN 212.A O no hydrogen 3.052 N/A LYS 216.A N ALA 211.A O no hydrogen 2.816 N/A LYS 216.A NZ SER 248.A O.A no hydrogen 3.017 N/A LYS 216.A NZ SER 248.A O.B no hydrogen 2.993 N/A LYS 216.A NZ ASP 251.A OD1 no hydrogen 2.854 N/A LYS 216.A NZ ASP 251.A OD2 no hydrogen 2.881 N/A SER 217.A N GLN 220.A OE1 no hydrogen 2.986 N/A SER 217.A OG GLU 245.A OE2 no hydrogen 3.561 N/A GLN 220.A N SER 217.A OG no hydrogen 2.982 N/A GLN 220.A NE2 GLU 245.A O no hydrogen 2.717 N/A ILE 221.A N SER 217.A O no hydrogen 3.151 N/A ILE 222.A N VAL 218.A O no hydrogen 2.895 N/A LEU 223.A N ALA 219.A O no hydrogen 3.055 N/A ARG 224.A N GLN 220.A O no hydrogen 3.018 N/A ARG 224.A NE GLN 228.A OE1 no hydrogen 3.104 N/A ARG 224.A NH1 THR 2.A O no hydrogen 3.278 N/A ARG 224.A NH2 THR 2.A O no hydrogen 2.965 N/A ARG 224.A NH2 VAL 249.A O no hydrogen 2.961 N/A TRP 225.A N ILE 221.A O no hydrogen 2.925 N/A TRP 225.A NE1 ASP 263.A OD1 no hydrogen 2.901 N/A ASP 226.A N ILE 222.A O no hydrogen 2.852 N/A LEU 227.A N LEU 223.A O no hydrogen 3.172 N/A GLN 228.A N ARG 224.A O no hydrogen 2.807 N/A GLN 228.A NE2 LEU 254.A O no hydrogen 3.032 N/A HIS 229.A N TRP 225.A O no hydrogen 2.941 N/A HIS 229.A NE2 ASP 263.A OD1 no hydrogen 2.753 N/A GLY 230.A N LEU 227.A O no hydrogen 2.964 N/A ILE 231.A N ASP 226.A O no hydrogen 3.022 N/A ILE 232.A N MET 190.A O no hydrogen 3.066 N/A THR 233.A N TRP 19.A O no hydrogen 2.960 N/A THR 233.A OG1 ASP 226.A OD2 no hydrogen 2.818 N/A LYS 239.A N SER 237.A OG no hydrogen 3.388 N/A ARG 242.A NH1 GLU 245.A OE2 no hydrogen 3.441 N/A ARG 242.A NH1 ASN 246.A OD1 no hydrogen 3.552 N/A ILE 243.A N LYS 239.A O no hydrogen 2.815 N/A LYS 244.A N GLU 240.A O no hydrogen 2.996 N/A GLU 245.A N HIS 241.A O no hydrogen 2.864 N/A ASN 246.A N ARG 242.A O no hydrogen 2.748 N/A ALA 247.A N LYS 244.A O no hydrogen 3.168 N/A SER 248.A N.A GLU 245.A O no hydrogen 3.194 N/A SER 248.A N.B GLU 245.A O no hydrogen 3.213 N/A SER 248.A OG.A LYS 244.A O no hydrogen 3.398 N/A LEU 254.A N GLN 228.A OE1 no hydrogen 2.677 N/A THR 255.A N ASP 258.A OD1 no hydrogen 3.227 N/A ASP 258.A N THR 255.A OG1 no hydrogen 3.214 N/A MET 259.A N THR 255.A O no hydrogen 3.091 N/A ASN 260.A N GLN 256.A O no hydrogen 2.901 N/A ARG 261.A N ASP 257.A O no hydrogen 2.776 N/A ARG 261.A NH1 ASP 209.A OD2 no hydrogen 2.743 N/A ARG 261.A NH2 ASP 209.A OD2 no hydrogen 3.450 N/A ILE 262.A N ASP 258.A O no hydrogen 3.118 N/A ASP 263.A N MET 259.A O no hydrogen 2.966 N/A ALA 264.A N ASN 260.A O no hydrogen 3.070 N/A LEU 265.A N ILE 262.A O no hydrogen 3.084 N/A ASN 266.A N ASP 263.A O no hydrogen 3.178 N/A ASN 266.A ND2 ASN 268.A OD1 no hydrogen 3.167 N/A GLU 267.A N ARG 173.A O no hydrogen 3.147 N/A ASN 268.A N ASN 266.A OD1 no hydrogen 3.128 N/A LEU 269.A N ARG 173.A O no hydrogen 2.827 N/A VAL 271.A N GLU 169.A OE2 no hydrogen 2.785 N/A GLY 272.A N GLU 169.A OE1 no hydrogen 2.922 N/A ASP 276.A N ASP 274.A OD2 no hydrogen 3.094 N/A ASN 277.A N ASP 274.A O no hydrogen 3.082 N/A