Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pju_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 10.A N VAL 7.A O no hydrogen 2.940 N/A ALA 13.A N ASP 10.A OD1 no hydrogen 3.018 N/A TRP 14.A N ASP 10.A O no hydrogen 2.997 N/A TRP 14.A NE1 GLY 8.A O no hydrogen 2.894 N/A HIS 15.A N HIS 11.A O no hydrogen 2.875 N/A ARG 16.A N HIS 12.A O no hydrogen 3.013 N/A LEU 17.A N ALA 13.A O no hydrogen 2.776 N/A LEU 18.A N TRP 14.A O no hydrogen 2.871 N/A ASP 19.A N HIS 15.A O no hydrogen 2.997 N/A GLN 20.A N ARG 16.A O no hydrogen 3.163 N/A ALA 21.A N LEU 17.A O no hydrogen 3.073 N/A LEU 22.A N LEU 18.A O no hydrogen 2.846 N/A ASN 23.A N ASP 19.A O no hydrogen 2.961 N/A GLN 24.A N GLN 20.A O no hydrogen 2.690 N/A ARG 25.A N LEU 22.A O no hydrogen 3.438 N/A ARG 25.A NH2 LEU 22.A O no hydrogen 3.261 N/A ARG 26.A N ALA 21.A O no hydrogen 2.926 N/A GLU 28.A N ARG 51.A O no hydrogen 2.628 N/A PHE 30.A N LEU 49.A O no hydrogen 2.844 N/A PHE 31.A N LYS 246.A O no hydrogen 2.766 N/A GLN 32.A N LYS 47.A O no hydrogen 3.034 N/A GLN 32.A NE2 GLY 243.A O no hydrogen 3.235 N/A VAL 34.A N HIS 45.A O no hydrogen 2.740 N/A VAL 35.A N VAL 237.A O no hydrogen 2.874 N/A ALA 36.A N LEU 42.A O no hydrogen 2.939 N/A ALA 37.A N TYR 235.A O no hydrogen 3.028 N/A ASP 39.A N ALA 36.A O no hydrogen 3.094 N/A GLN 41.A N ASP 39.A OD1 no hydrogen 3.171 N/A GLN 41.A NE2.B ASP 39.A OD1 no hydrogen 2.831 N/A GLN 41.A NE2.B ASP 39.A OD2 no hydrogen 3.527 N/A LEU 42.A N ASP 39.A O no hydrogen 2.955 N/A LEU 44.A N VAL 34.A O no hydrogen 2.821 N/A HIS 45.A N VAL 34.A O no hydrogen 3.272 N/A TYR 46.A N SER 96.A O no hydrogen 2.899 N/A LYS 47.A N GLN 32.A O no hydrogen 2.899 N/A LYS 47.A NZ GLN 161.A OE1 no hydrogen 3.477 N/A VAL 48.A N ALA 98.A O no hydrogen 2.875 N/A LEU 49.A N PHE 30.A O no hydrogen 2.801 N/A ARG 51.A N GLU 28.A O no hydrogen 2.892 N/A ARG 51.A NH1 SER 50.A O no hydrogen 2.770 N/A LEU 52.A N ILE 60.A O no hydrogen 3.027 N/A ASP 54.A N GLN 58.A O no hydrogen 2.955 N/A GLY 57.A N ASP 54.A O no hydrogen 3.037 N/A GLN 58.A N ASP 54.A OD1 no hydrogen 2.898 N/A GLN 58.A NE2 ASP 54.A OD2 no hydrogen 2.465 N/A ILE 60.A N LEU 52.A O no hydrogen 2.612 N/A ARG 64.A N PRO 61.A O no hydrogen 2.650 N/A ARG 64.A NH2 GLY 8.A O no hydrogen 3.369 N/A PHE 65.A N PRO 61.A O no hydrogen 3.335 N/A LEU 66.A N ALA 62.A O no hydrogen 2.959 N/A TRP 68.A N PHE 65.A O no hydrogen 2.772 N/A LEU 69.A N PHE 65.A O no hydrogen 2.952 N/A GLU 70.A N LEU 66.A O no hydrogen 2.889 N/A ARG 71.A N PRO 67.A O no hydrogen 3.064 N/A PHE 72.A N TRP 68.A O no hydrogen 3.046 N/A GLY 73.A N GLU 70.A O no hydrogen 2.733 N/A TRP 74.A N LEU 69.A O no hydrogen 2.742 N/A ARG 77.A NH1 ASP 19.A OD2 no hydrogen 2.948 N/A ARG 77.A NH2 ASP 19.A OD2 no hydrogen 2.984 N/A LEU 78.A N TRP 74.A O no hydrogen 3.127 N/A ASP 79.A N THR 75.A O no hydrogen 3.168 N/A ARG 80.A N ALA 76.A O no hydrogen 3.194 N/A LEU 81.A N ARG 77.A O no hydrogen 3.149 N/A MET 82.A N LEU 78.A O no hydrogen 2.709 N/A LEU 83.A N ASP 79.A O no hydrogen 2.730 N/A GLU 84.A N ARG 80.A O no hydrogen 3.129 N/A ARG 85.A N LEU 81.A O no hydrogen 3.006 N/A ARG 85.A NH2 ARG 25.A O no hydrogen 3.315 N/A VAL 86.A N MET 82.A O no hydrogen 2.892 N/A LEU 87.A N LEU 83.A O no hydrogen 3.010 N/A GLU 88.A N GLU 84.A O no hydrogen 3.121 N/A GLN 89.A N ARG 85.A O no hydrogen 2.956 N/A MET 90.A N VAL 86.A O no hydrogen 3.096 N/A ALA 91.A N GLU 88.A O no hydrogen 3.221 N/A GLY 92.A N GLN 89.A O no hydrogen 3.140 N/A HIS 93.A N MET 90.A O no hydrogen 3.380 N/A HIS 93.A NE2 GLN 89.A OE1 no hydrogen 2.427 N/A GLU 95.A N HIS 93.A ND1 no hydrogen 2.974 N/A LEU 97.A N ARG 128.A O no hydrogen 2.776 N/A ALA 98.A N TYR 46.A O no hydrogen 3.044 N/A LEU 99.A N THR 130.A O no hydrogen 2.923 N/A ASN 100.A ND2 GLU 132.A O no hydrogen 3.240 N/A ASN 100.A ND2 GLN 161.A OE1 no hydrogen 2.955 N/A LEU 101.A N GLU 132.A O no hydrogen 2.953 N/A SER 102.A N ASP 79.A OD2 no hydrogen 3.071 N/A SER 102.A OG ASP 79.A OD1 no hydrogen 3.280 N/A SER 102.A OG ASP 79.A OD2 no hydrogen 2.398 N/A SER 103.A N GLN 137.A OE1 no hydrogen 2.912 N/A THR 105.A OG1 ASP 79.A OD2 no hydrogen 2.691 N/A LEU 106.A N SER 102.A O no hydrogen 3.270 N/A ALA 107.A N SER 103.A O no hydrogen 2.749 N/A ASP 108.A N ALA 104.A O no hydrogen 3.314 N/A GLN 110.A N ASP 108.A OD1 no hydrogen 3.035 N/A ALA 111.A N ASP 108.A OD2 no hydrogen 3.282 N/A LEU 112.A N ASP 108.A O no hydrogen 2.907 N/A ASN 113.A N PRO 109.A O no hydrogen 2.997 N/A LYS 114.A N GLN 110.A O no hydrogen 2.916 N/A VAL 115.A N ALA 111.A O no hydrogen 2.969 N/A PHE 116.A N LEU 112.A O no hydrogen 3.193 N/A GLU 117.A N ASN 113.A O no hydrogen 2.875 N/A ILE 118.A N LYS 114.A O no hydrogen 2.897 N/A LEU 119.A N VAL 115.A O no hydrogen 2.895 N/A ARG 120.A N PHE 116.A O no hydrogen 2.773 N/A ALA 121.A N GLU 117.A O no hydrogen 3.120 N/A ALA 121.A N ILE 118.A O no hydrogen 2.880 N/A HIS 122.A N LEU 119.A O no hydrogen 2.826 N/A HIS 122.A ND1 ILE 118.A O no hydrogen 3.099 N/A SER 123.A OG ARG 120.A O no hydrogen 3.548 N/A LEU 125.A N HIS 122.A O no hydrogen 2.931 N/A GLY 126.A N SER 123.A O no hydrogen 3.483 N/A ARG 128.A N LEU 125.A O no hydrogen 2.701 N/A ARG 128.A NE GLU 95.A O no hydrogen 2.983 N/A ARG 128.A NH1 MET 90.A O no hydrogen 3.252 N/A ARG 128.A NH2 MET 90.A O no hydrogen 2.945 N/A ARG 128.A NH2 GLU 95.A O no hydrogen 3.199 N/A LEU 129.A N GLY 126.A O no hydrogen 3.356 N/A THR 130.A N LEU 97.A O no hydrogen 2.904 N/A THR 130.A OG1 SER 157.A OG no hydrogen 2.949 N/A LEU 131.A N SER 157.A O no hydrogen 3.070 N/A GLU 132.A N LEU 99.A O no hydrogen 2.907 N/A ILE 133.A N SER 159.A O no hydrogen 3.138 N/A GLU 135.A N GLN 161.A O no hydrogen 2.848 N/A GLN 137.A N GLY 134.A O no hydrogen 3.047 N/A GLN 137.A NE2 GLU 136.A OE1 no hydrogen 2.915 N/A LEU 138.A N GLU 135.A O no hydrogen 3.515 N/A GLN 141.A NE2 GLU 145.A OE1 no hydrogen 3.103 N/A GLN 141.A NE2 ASN 172.A O no hydrogen 2.849 N/A VAL 143.A N GLU 140.A O no hydrogen 2.986 N/A LEU 144.A N GLU 140.A O no hydrogen 3.036 N/A GLU 145.A N GLN 141.A O no hydrogen 2.915 N/A GLN 146.A N ALA 142.A O no hydrogen 2.979 N/A LEU 147.A N VAL 143.A O no hydrogen 2.812 N/A THR 148.A N LEU 144.A O no hydrogen 2.923 N/A THR 148.A OG1 LEU 176.A O no hydrogen 2.600 N/A ARG 149.A N GLU 145.A O no hydrogen 3.132 N/A ARG 150.A N GLN 146.A O no hydrogen 2.961 N/A LEU 151.A N LEU 147.A O no hydrogen 3.031 N/A ARG 152.A N THR 148.A O no hydrogen 2.866 N/A GLU 153.A N ARG 149.A O no hydrogen 2.825 N/A LEU 154.A N ARG 150.A O no hydrogen 2.871 N/A GLY 155.A N LEU 151.A O no hydrogen 2.847 N/A GLY 155.A N ARG 152.A O no hydrogen 3.151 N/A PHE 156.A N LEU 151.A O no hydrogen 2.786 N/A SER 157.A OG LEU 129.A O no hydrogen 3.469 N/A SER 157.A OG THR 130.A OG1 no hydrogen 2.949 N/A SER 159.A N LEU 131.A O no hydrogen 2.823 N/A SER 159.A OG TYR 180.A O no hydrogen 3.365 N/A GLN 161.A N ILE 133.A O no hydrogen 2.881 N/A GLN 161.A NE2 GLU 218.A OE2 no hydrogen 2.882 N/A ARG 162.A N GLU 218.A OE2 no hydrogen 2.769 N/A ARG 162.A NE GLU 136.A OE2 no hydrogen 2.167 N/A ARG 162.A NH2 GLU 136.A OE1 no hydrogen 3.153 N/A PHE 163.A N LYS 182.A O no hydrogen 2.824 N/A GLY 164.A N GLU 135.A OE1 no hydrogen 2.898 N/A ARG 166.A N GLU 135.A OE1 no hydrogen 2.775 N/A PHE 167.A N GLY 164.A O no hydrogen 3.239 N/A MET 169.A N ARG 166.A O no hydrogen 2.891 N/A ILE 170.A N PHE 167.A O no hydrogen 2.872 N/A LEU 173.A N ILE 170.A O no hydrogen 3.015 N/A ALA 174.A N GLY 171.A O no hydrogen 3.147 N/A LEU 176.A N LEU 173.A O no hydrogen 3.059 N/A ALA 179.A N LEU 158.A O no hydrogen 2.807 N/A TYR 180.A N SER 159.A OG no hydrogen 3.160 N/A TYR 180.A OH GLU 132.A OE2 no hydrogen 2.698 N/A LEU 181.A N PRO 214.A O no hydrogen 2.950 N/A LYS 182.A N LEU 160.A O no hydrogen 2.955 N/A LYS 182.A NZ GLU 132.A OE2 no hydrogen 2.718 N/A ILE 183.A N ILE 216.A O no hydrogen 2.882 N/A ASP 184.A N PHE 163.A O no hydrogen 3.061 N/A SER 186.A N ASP 184.A OD1 no hydrogen 3.249 N/A SER 186.A OG ASP 184.A OD1 no hydrogen 2.756 N/A TYR 187.A N ASP 184.A O no hydrogen 3.194 N/A ILE 188.A N GLY 185.A O no hydrogen 3.112 N/A ARG 189.A NH1 ARG 219.A O no hydrogen 2.898 N/A ARG 189.A NH1 GLU 225.A OE2 no hydrogen 3.056 N/A ARG 189.A NH2 ARG 219.A O no hydrogen 2.664 N/A ALA 190.A N GLU 225.A OE2 no hydrogen 2.698 N/A ILE 191.A N ILE 188.A O no hydrogen 3.099 N/A GLN 193.A N ALA 190.A O no hydrogen 2.898 N/A LYS 197.A N GLU 194.A O no hydrogen 3.016 N/A LYS 197.A NZ SER 186.A O no hydrogen 3.075 N/A LYS 197.A NZ ARG 189.A O no hydrogen 2.784 N/A ARG 198.A N SER 195.A O no hydrogen 2.787 N/A GLU 202.A N ARG 198.A O no hydrogen 2.793 N/A ALA 203.A N LEU 199.A O no hydrogen 3.040 N/A ILE 204.A N PHE 200.A O no hydrogen 2.968 N/A GLN 205.A N ILE 201.A O no hydrogen 3.023 N/A ARG 206.A N GLU 202.A O no hydrogen 3.000 N/A ARG 206.A NH2 GLU 202.A OE2 no hydrogen 2.713 N/A ALA 207.A N ALA 203.A O no hydrogen 3.036 N/A ALA 208.A N ILE 204.A O no hydrogen 2.732 N/A HIS 209.A N GLN 205.A O no hydrogen 2.803 N/A SER 210.A N ARG 206.A O no hydrogen 3.126 N/A SER 210.A OG ALA 207.A O no hydrogen 2.845 N/A ILE 211.A N ALA 208.A O no hydrogen 3.213 N/A ASP 212.A N HIS 209.A O no hydrogen 2.867 N/A LEU 213.A N ALA 208.A O no hydrogen 2.946 N/A ILE 216.A N LEU 181.A O no hydrogen 2.913 N/A ALA 217.A N GLY 236.A O no hydrogen 2.793 N/A GLU 218.A N ILE 183.A O no hydrogen 3.044 N/A ARG 219.A N GLN 238.A OE1 no hydrogen 2.813 N/A VAL 220.A N GLN 238.A O no hydrogen 2.700 N/A GLU 221.A N GLU 225.A OE1 no hydrogen 2.929 N/A LEU 226.A N THR 222.A O no hydrogen 3.132 N/A SER 227.A N GLU 223.A O no hydrogen 2.962 N/A SER 227.A N GLY 224.A O no hydrogen 3.027 N/A SER 227.A OG GLY 224.A O no hydrogen 2.814 N/A VAL 228.A N GLY 224.A O no hydrogen 3.267 N/A ILE 229.A N GLU 225.A O no hydrogen 3.018 N/A ARG 230.A N LEU 226.A O no hydrogen 2.963 N/A GLU 231.A N SER 227.A O no hydrogen 3.000 N/A MET 232.A N VAL 228.A O no hydrogen 2.821 N/A GLY 233.A N ARG 230.A O no hydrogen 3.024 N/A LEU 234.A N ILE 229.A O no hydrogen 3.258 N/A TYR 235.A N LEU 215.A O no hydrogen 2.933 N/A GLY 236.A N LEU 215.A O no hydrogen 3.060 N/A VAL 237.A N VAL 35.A O no hydrogen 2.738 N/A GLN 238.A N ALA 217.A O no hydrogen 2.937 N/A GLN 238.A NE2 GLN 32.A OE1 no hydrogen 3.433 N/A LEU 241.A N VAL 220.A O no hydrogen 3.257 N/A PHE 242.A N GLY 239.A O no hydrogen 3.046 N/A GLY 243.A N GLN 240.A O no hydrogen 3.005 N/A LYS 246.A N PHE 31.A O no hydrogen 3.155 N/A