Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pkw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N GLU 58.A O no hydrogen 2.989 N/A LEU 6.A N GLU 30.A O no hydrogen 2.844 N/A HIS 7.A N MET 56.A O no hydrogen 2.716 N/A HIS 7.A NE2 GLU 58.A OE2 no hydrogen 2.683 N/A ALA 11.A N PHE 9.A O no hydrogen 2.864 N/A ARG 12.A NE LYS 203.A O no hydrogen 2.970 N/A ARG 12.A NH1 GLU 167.A OE1 no hydrogen 2.957 N/A ARG 12.A NH1 GLU 167.A OE2 no hydrogen 3.540 N/A ARG 12.A NH2 GLU 167.A OE2 no hydrogen 2.708 N/A ARG 14.A N TYR 8.A OH no hydrogen 2.910 N/A ARG 14.A NH1 GLU 103.A OE1 no hydrogen 2.899 N/A ARG 14.A NH1 GLU 103.A OE2 no hydrogen 3.421 N/A ARG 14.A NH2 GLU 103.A OE2 no hydrogen 2.801 N/A MET 15.A N ARG 12.A O no hydrogen 3.168 N/A ARG 19.A N MET 15.A O no hydrogen 3.200 N/A ARG 19.A NE GLU 31.A OE1 no hydrogen 2.796 N/A ARG 19.A NH1 ALA 11.A O no hydrogen 2.890 N/A ARG 19.A NH1 ARG 12.A O no hydrogen 3.256 N/A ARG 19.A NH1 GLU 16.A OE1 no hydrogen 2.828 N/A ARG 19.A NH2 ALA 11.A O no hydrogen 3.043 N/A ARG 19.A NH2 GLU 31.A OE1 no hydrogen 3.301 N/A TRP 20.A N GLU 16.A O no hydrogen 3.017 N/A LEU 21.A N SER 17.A O no hydrogen 2.986 N/A LEU 22.A N THR 18.A O no hydrogen 2.947 N/A ALA 23.A N ARG 19.A O no hydrogen 2.972 N/A ALA 24.A N TRP 20.A O no hydrogen 2.954 N/A ALA 25.A N LEU 21.A O no hydrogen 3.011 N/A GLY 26.A N ALA 23.A O no hydrogen 2.990 N/A VAL 27.A N LEU 22.A O no hydrogen 2.985 N/A GLU 30.A N PRO 4.A O no hydrogen 2.903 N/A LYS 32.A N LEU 6.A O no hydrogen 2.968 N/A ILE 34.A N TYR 8.A O no hydrogen 2.905 N/A LYS 35.A N ASP 39.A OD2 no hydrogen 2.902 N/A ASP 39.A N SER 36.A O no hydrogen 3.261 N/A ASP 39.A N SER 36.A OG no hydrogen 3.236 N/A LEU 40.A N SER 36.A O no hydrogen 3.416 N/A ASP 41.A N ALA 37.A O no hydrogen 2.855 N/A LYS 42.A N GLU 38.A O no hydrogen 3.000 N/A LYS 42.A NZ ASP 46.A OD2 no hydrogen 2.884 N/A LEU 43.A N ASP 39.A O no hydrogen 3.273 N/A ARG 44.A N LEU 40.A O no hydrogen 2.950 N/A ARG 44.A NE GLN 52.A O no hydrogen 2.816 N/A ARG 44.A NH1 ASP 41.A OD1 no hydrogen 3.055 N/A ARG 44.A NH2 GLN 52.A O no hydrogen 3.234 N/A ASN 45.A N ASP 41.A O no hydrogen 2.839 N/A ASN 45.A ND2 ASP 46.A OD1 no hydrogen 2.937 N/A ASP 46.A N LYS 42.A O no hydrogen 2.936 N/A GLY 47.A N ARG 44.A O no hydrogen 3.092 N/A TYR 48.A N LEU 43.A O no hydrogen 3.278 N/A GLN 52.A N LEU 49.A O no hydrogen 3.068 N/A MET 56.A N HIS 7.A O no hydrogen 3.319 N/A VAL 57.A N LEU 64.A O no hydrogen 2.826 N/A GLU 58.A N LYS 5.A O no hydrogen 2.795 N/A ILE 59.A N MET 62.A O no hydrogen 3.146 N/A GLY 61.A N GLU 2.A OE1 no hydrogen 3.205 N/A MET 62.A N ILE 59.A O no hydrogen 2.953 N/A LYS 63.A NZ GLU 58.A OE1 no hydrogen 3.099 N/A LEU 64.A N VAL 57.A O no hydrogen 2.903 N/A THR 67.A OG1 ARG 14.A O no hydrogen 3.536 N/A ARG 68.A NE GLU 96.A OE1 no hydrogen 3.475 N/A ARG 68.A NE GLU 96.A OE2 no hydrogen 2.779 N/A ARG 68.A NH2 GLU 96.A OE1 no hydrogen 3.157 N/A ILE 70.A N GLN 66.A O no hydrogen 3.052 N/A LEU 71.A N THR 67.A O no hydrogen 2.914 N/A ASN 72.A N ARG 68.A O no hydrogen 2.882 N/A TYR 73.A N ALA 69.A O no hydrogen 3.087 N/A TYR 73.A OH ASP 60.A OD2 no hydrogen 2.523 N/A ILE 74.A N ILE 70.A O no hydrogen 3.048 N/A ALA 75.A N LEU 71.A O no hydrogen 2.790 N/A SER 76.A N ASN 72.A O no hydrogen 3.058 N/A SER 76.A OG ASN 72.A O no hydrogen 3.219 N/A LYS 77.A N TYR 73.A O no hydrogen 2.849 N/A LYS 77.A NZ.A ASP 60.A OD2 no hydrogen 2.779 N/A LYS 77.A NZ.B ASP 60.A OD1 no hydrogen 2.962 N/A LYS 77.A NZ.B ASP 60.A OD2 no hydrogen 2.533 N/A TYR 78.A N ILE 74.A O no hydrogen 3.066 N/A ASN 79.A N SER 76.A O no hydrogen 3.177 N/A LEU 80.A N ALA 75.A O no hydrogen 2.842 N/A TYR 81.A OH ASN 72.A OD1 no hydrogen 3.329 N/A TYR 81.A OH ASP 92.A OD1 no hydrogen 2.606 N/A TYR 81.A OH ASP 92.A OD2 no hydrogen 3.351 N/A LYS 83.A N GLU 87.A OE1 no hydrogen 2.982 N/A LYS 83.A NZ GLY 148.A O no hydrogen 3.010 N/A GLU 87.A N ASP 84.A OD1 no hydrogen 2.932 N/A ARG 88.A N ASP 84.A O no hydrogen 2.959 N/A ALA 89.A N ILE 85.A O no hydrogen 3.070 N/A LEU 90.A N LYS 86.A O no hydrogen 3.219 N/A ILE 91.A N GLU 87.A O no hydrogen 2.902 N/A ASP 92.A N ARG 88.A O no hydrogen 2.724 N/A MET 93.A N ALA 89.A O no hydrogen 3.026 N/A TYR 94.A N LEU 90.A O no hydrogen 2.974 N/A ILE 95.A N ILE 91.A O no hydrogen 2.861 N/A GLU 96.A N ASP 92.A O no hydrogen 2.918 N/A GLY 97.A N MET 93.A O no hydrogen 3.241 N/A ILE 98.A N TYR 94.A O no hydrogen 3.115 N/A ALA 99.A N ILE 95.A O no hydrogen 2.819 N/A ASP 100.A N GLU 96.A O no hydrogen 3.043 N/A LEU 101.A N GLY 97.A O no hydrogen 3.212 N/A GLY 102.A N ILE 98.A O no hydrogen 2.894 N/A GLU 103.A N ALA 99.A O no hydrogen 2.792 N/A MET 104.A N ASP 100.A O no hydrogen 3.302 N/A ILE 105.A N LEU 101.A O no hydrogen 3.188 N/A LEU 106.A N GLY 102.A O no hydrogen 2.855 N/A LEU 107.A N GLU 103.A O no hydrogen 3.175 N/A LEU 108.A N ILE 105.A O no hydrogen 3.214 N/A VAL 110.A N LEU 107.A O no hydrogen 2.882 N/A GLU 114.A N PRO 111.A O no hydrogen 2.924 N/A LYS 118.A N GLU 114.A O no hydrogen 3.061 N/A LEU 119.A N LYS 115.A O no hydrogen 3.038 N/A ALA 120.A N ASP 116.A O no hydrogen 3.245 N/A LEU 121.A N ALA 117.A O no hydrogen 3.176 N/A ILE 122.A N LYS 118.A O no hydrogen 3.046 N/A LYS 123.A N LEU 119.A O no hydrogen 2.913 N/A LYS 123.A NZ ASP 169.A OD2 no hydrogen 3.080 N/A GLU 124.A N ALA 120.A O no hydrogen 3.124 N/A LYS 125.A N LEU 121.A O no hydrogen 3.065 N/A ILE 126.A N ILE 122.A O no hydrogen 2.902 N/A LYS 127.A N LYS 123.A O no hydrogen 3.049 N/A LYS 127.A NZ SER 175.A OG no hydrogen 3.386 N/A ASN 128.A N GLU 124.A O no hydrogen 2.785 N/A ASN 128.A ND2 GLU 124.A O no hydrogen 3.127 N/A ARG 129.A N LYS 125.A O no hydrogen 2.834 N/A TYR 130.A N LYS 125.A O no hydrogen 2.974 N/A PHE 131.A N ILE 126.A O no hydrogen 2.926 N/A ALA 133.A N ARG 129.A O no hydrogen 3.254 N/A PHE 134.A N TYR 130.A O no hydrogen 3.056 N/A GLU 135.A N PHE 131.A O no hydrogen 2.831 N/A LYS 136.A N PRO 132.A O no hydrogen 2.962 N/A VAL 137.A N ALA 133.A O no hydrogen 3.208 N/A LEU 138.A N PHE 134.A O no hydrogen 3.146 N/A LYS 139.A N GLU 135.A O no hydrogen 3.009 N/A SER 140.A N LYS 136.A O no hydrogen 2.915 N/A SER 140.A N VAL 137.A O no hydrogen 3.138 N/A SER 140.A OG VAL 137.A O no hydrogen 2.608 N/A HIS 141.A NE2 LEU 146.A O no hydrogen 2.951 N/A GLY 142.A N LEU 138.A O no hydrogen 2.979 N/A GLN 143.A N HIS 141.A ND1 no hydrogen 2.947 N/A LEU 146.A N ASP 155.A OD1 no hydrogen 2.724 N/A LYS 150.A N VAL 147.A O no hydrogen 3.312 N/A SER 152.A N ASP 155.A OD2 no hydrogen 3.039 N/A ARG 153.A N LEU 80.A O no hydrogen 2.843 N/A ARG 153.A NE HIS 157.A NE2 no hydrogen 3.068 N/A ARG 153.A NH1 ASN 72.A OD1 no hydrogen 2.755 N/A ARG 153.A NH2 HIS 157.A NE2 no hydrogen 3.340 N/A ALA 154.A N SER 152.A OG no hydrogen 3.212 N/A ASP 155.A N SER 152.A O no hydrogen 3.012 N/A HIS 157.A N ARG 153.A O no hydrogen 2.866 N/A LEU 158.A N ALA 154.A O no hydrogen 2.985 N/A VAL 159.A N ASP 155.A O no hydrogen 2.968 N/A GLU 160.A N ILE 156.A O no hydrogen 3.018 N/A LEU 161.A N HIS 157.A O no hydrogen 3.167 N/A LEU 162.A N LEU 158.A O no hydrogen 2.882 N/A TYR 163.A N VAL 159.A O no hydrogen 3.124 N/A TYR 163.A OH SER 187.A OG no hydrogen 2.547 N/A TYR 164.A N GLU 160.A O no hydrogen 3.261 N/A TYR 164.A OH GLU 160.A OE2 no hydrogen 2.647 N/A VAL 165.A N LEU 161.A O no hydrogen 2.834 N/A GLU 166.A N LEU 162.A O no hydrogen 2.936 N/A GLU 167.A N TYR 163.A O no hydrogen 3.152 N/A LEU 168.A N TYR 164.A O no hydrogen 3.113 N/A ASP 169.A N VAL 165.A O no hydrogen 2.889 N/A SER 171.A N ASP 169.A OD1 no hydrogen 3.091 N/A SER 171.A OG ASP 169.A OD1 no hydrogen 2.966 N/A LEU 172.A N ASP 169.A O no hydrogen 3.305 N/A SER 174.A N SER 171.A O no hydrogen 2.980 N/A SER 174.A OG SER 171.A O no hydrogen 2.795 N/A PHE 176.A N ILE 173.A O no hydrogen 2.926 N/A LEU 178.A N GLU 135.A OE2 no hydrogen 2.817 N/A LEU 179.A N GLU 135.A OE1 no hydrogen 2.975 N/A LYS 180.A N PHE 176.A O no hydrogen 3.240 N/A ALA 181.A N PRO 177.A O no hydrogen 2.996 N/A LEU 182.A N LEU 178.A O no hydrogen 2.885 N/A LYS 183.A N LEU 179.A O no hydrogen 2.971 N/A LYS 183.A NZ GLU 166.A OE1 no hydrogen 2.548 N/A THR 184.A N LYS 180.A O no hydrogen 3.136 N/A THR 184.A OG1 LYS 180.A O no hydrogen 3.337 N/A ARG 185.A N ALA 181.A O no hydrogen 2.984 N/A ARG 185.A NH2 ASP 144.A O no hydrogen 2.939 N/A ILE 186.A N LEU 182.A O no hydrogen 2.934 N/A SER 187.A N LYS 183.A O no hydrogen 3.040 N/A SER 187.A OG TYR 163.A OH no hydrogen 2.547 N/A SER 187.A OG LYS 183.A O no hydrogen 2.654 N/A ASN 188.A N THR 184.A O no hydrogen 3.082 N/A ASN 188.A N ARG 185.A O no hydrogen 2.992 N/A ASN 188.A ND2 THR 184.A O no hydrogen 2.680 N/A LEU 189.A N ILE 186.A O no hydrogen 3.106 N/A THR 191.A OG1 ALA 24.A O no hydrogen 2.788 N/A LYS 193.A N LEU 189.A O no hydrogen 2.836 N/A LYS 193.A NZ ASN 188.A O no hydrogen 3.268 N/A LYS 194.A N PRO 190.A O no hydrogen 3.081 N/A PHE 195.A N THR 191.A O no hydrogen 3.107 N/A LEU 196.A N VAL 192.A O no hydrogen 2.909 N/A LEU 196.A N LYS 193.A O no hydrogen 3.159 N/A GLN 197.A N LYS 193.A O no hydrogen 3.073 N/A GLN 197.A N LYS 194.A O no hydrogen 3.174 N/A SER 200.A OG PHE 195.A O no hydrogen 2.626 N/A SER 200.A OG GLN 197.A O no hydrogen 3.552 N/A ARG 202.A N SER 200.A OG no hydrogen 3.078 N/A ARG 202.A NH2 LEU 196.A O no hydrogen 2.906 N/A LYS 203.A N GLU 16.A OE2 no hydrogen 2.961 N/A LYS 203.A NZ GLU 31.A OE2 no hydrogen 2.812 N/A LYS 203.A NZ PRO 201.A O no hydrogen 2.664 N/A SER 210.A N ASP 207.A OD1 no hydrogen 3.090 N/A LEU 211.A N ASP 207.A O no hydrogen 2.967 N/A GLU 212.A N GLU 208.A O no hydrogen 3.098 N/A ALA 214.A N SER 210.A O no hydrogen 3.218 N/A ARG 215.A N LEU 211.A O no hydrogen 3.124 N/A ARG 215.A NE GLU 212.A OE1 no hydrogen 3.390 N/A LYS 216.A N GLU 212.A O no hydrogen 3.156 N/A ILE 217.A N GLU 213.A O no hydrogen 3.135 N/A ILE 217.A N ALA 214.A O no hydrogen 3.177 N/A PHE 218.A N ALA 214.A O no hydrogen 2.952 N/A ARG 219.A NH2 ASP 41.A OD2 no hydrogen 2.861 N/A