Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u2k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 6.A N GLY 2.A O no hydrogen 3.100 N/A GLN 7.A N ALA 3.A O no hydrogen 3.002 N/A VAL 8.A N GLY 4.A O no hydrogen 3.091 N/A LEU 9.A N GLN 5.A O no hydrogen 3.141 N/A GLU 10.A N ILE 6.A O no hydrogen 3.082 N/A GLY 11.A N GLN 7.A O no hydrogen 2.952 N/A LEU 12.A N VAL 8.A O no hydrogen 3.008 N/A GLU 13.A N LEU 9.A O no hydrogen 3.068 N/A ALA 14.A N GLU 10.A O no hydrogen 2.979 N/A VAL 15.A N GLY 11.A O no hydrogen 3.080 N/A ARG 16.A N LEU 12.A O no hydrogen 3.085 N/A ARG 16.A NH1 ALA 97.A O no hydrogen 2.871 N/A ARG 16.A NH1 ASP 144.A OD2 no hydrogen 2.787 N/A ARG 16.A NH2 ASP 144.A OD2 no hydrogen 2.803 N/A LYS 17.A N GLU 13.A O no hydrogen 3.013 N/A LYS 17.A NZ GLU 13.A OE2 no hydrogen 3.278 N/A ARG 18.A N ALA 14.A O no hydrogen 3.314 N/A MET 21.A N ARG 18.A O no hydrogen 3.117 N/A TYR 22.A N PRO 19.A O no hydrogen 2.963 N/A ILE 23.A N PRO 19.A O no hydrogen 3.034 N/A GLY 24.A N GLY 20.A O no hydrogen 2.766 N/A SER 25.A OG SER 27.A OG no hydrogen 2.931 N/A SER 27.A OG SER 25.A OG no hydrogen 2.931 N/A ARG 29.A N SER 27.A OG no hydrogen 3.134 N/A LEU 31.A N SER 27.A O no hydrogen 3.033 N/A HIS 32.A N GLU 28.A O no hydrogen 3.148 N/A HIS 32.A ND1 GLU 28.A O no hydrogen 2.776 N/A HIS 33.A N ARG 29.A O no hydrogen 3.093 N/A LEU 34.A N GLY 30.A O no hydrogen 3.388 N/A LEU 34.A N LEU 31.A O no hydrogen 3.250 N/A VAL 35.A N HIS 32.A O no hydrogen 3.008 N/A TRP 36.A N HIS 32.A O no hydrogen 3.472 N/A GLU 37.A N HIS 33.A O no hydrogen 2.911 N/A ILE 38.A N LEU 34.A O no hydrogen 3.333 N/A VAL 39.A N VAL 35.A O no hydrogen 2.925 N/A ASP 40.A N.A TRP 36.A O no hydrogen 2.904 N/A ASP 40.A N.B TRP 36.A O no hydrogen 2.890 N/A ASN 41.A N ILE 38.A O no hydrogen 3.066 N/A ASN 41.A ND2 ILE 38.A O no hydrogen 3.345 N/A SER 42.A OG ASP 68.A OD2 no hydrogen 2.704 N/A ILE 43.A N.A VAL 39.A O no hydrogen 2.953 N/A ILE 43.A N.B VAL 39.A O no hydrogen 2.959 N/A ASP 44.A N ASP 40.A O.A no hydrogen 3.055 N/A ASP 44.A N ASP 40.A O.B no hydrogen 3.063 N/A GLU 45.A N ASN 41.A O no hydrogen 3.122 N/A ALA 46.A N SER 42.A O no hydrogen 2.924 N/A LEU 47.A N ILE 43.A O.A no hydrogen 2.826 N/A LEU 47.A N ILE 43.A O.B no hydrogen 2.846 N/A ALA 48.A N ASP 44.A O no hydrogen 2.862 N/A GLY 49.A N ALA 46.A O no hydrogen 2.953 N/A TYR 50.A N GLU 45.A O no hydrogen 3.094 N/A ASN 52.A N ASN 69.A OD1 no hydrogen 2.877 N/A GLN 53.A N ASN 69.A OD1 no hydrogen 3.016 N/A ILE 54.A N GLN 174.A O no hydrogen 2.854 N/A GLU 55.A N THR 67.A O no hydrogen 2.832 N/A VAL 56.A N THR 176.A O no hydrogen 2.814 N/A VAL 57.A N LYS 65.A O no hydrogen 2.806 N/A ILE 58.A N ARG 178.A O no hydrogen 2.832 N/A GLU 59.A N TRP 63.A O no hydrogen 2.813 N/A ILE 64.A N PHE 141.A O no hydrogen 2.884 N/A LYS 65.A N VAL 57.A O no hydrogen 2.891 N/A VAL 66.A N ILE 139.A O no hydrogen 2.765 N/A THR 67.A N GLU 55.A O no hydrogen 2.864 N/A ASP 68.A N THR 137.A O no hydrogen 2.941 N/A ASN 69.A N GLN 53.A O no hydrogen 3.371 N/A ASN 69.A ND2 ASN 52.A OD1 no hydrogen 2.839 N/A GLY 70.A N ASP 68.A OD1 no hydrogen 2.917 N/A ARG 71.A N GLU 45.A OE2 no hydrogen 2.894 N/A ARG 71.A NE GLU 45.A OE2 no hydrogen 2.843 N/A ARG 71.A NH2 GLU 45.A OE1 no hydrogen 2.929 N/A ILE 73.A N THR 137.A OG1 no hydrogen 3.126 N/A GLN 78.A N ARG 83.A O no hydrogen 2.902 N/A GLY 82.A N GLN 78.A O no hydrogen 3.051 N/A ARG 83.A NE GLU 87.A OE2 no hydrogen 2.808 N/A ARG 83.A NH2 GLU 87.A OE1 no hydrogen 2.925 N/A ARG 83.A NH2 GLU 87.A OE2 no hydrogen 3.523 N/A ARG 83.A NH2 ASP 125.A OD1 no hydrogen 2.790 N/A ALA 85.A N ASP 76.A O no hydrogen 2.907 N/A VAL 88.A N PRO 84.A O no hydrogen 3.254 N/A ILE 89.A N ALA 85.A O no hydrogen 2.954 N/A LEU 90.A N VAL 86.A O no hydrogen 2.954 N/A THR 91.A N GLU 87.A O no hydrogen 2.830 N/A THR 91.A OG1 GLU 87.A O no hydrogen 2.838 N/A THR 91.A OG1 VAL 88.A O no hydrogen 3.430 N/A SER 92.A N.A VAL 88.A O no hydrogen 3.314 N/A SER 92.A N.B VAL 88.A O no hydrogen 3.304 N/A SER 92.A OG.A VAL 88.A O no hydrogen 3.057 N/A SER 92.A OG.A ILE 89.A O no hydrogen 3.048 N/A SER 92.A OG.B VAL 88.A O no hydrogen 3.432 N/A SER 93.A N LEU 90.A O no hydrogen 3.110 N/A ASN 96.A N SER 93.A OG no hydrogen 3.215 N/A ASN 96.A ND2 LEU 90.A O no hydrogen 2.850 N/A ALA 97.A N SER 93.A O no hydrogen 3.064 N/A LEU 98.A N VAL 94.A O no hydrogen 3.027 N/A SER 99.A N ASN 96.A O no hydrogen 3.096 N/A SER 99.A OG VAL 95.A O no hydrogen 2.762 N/A GLN 100.A N LYS 142.A O no hydrogen 2.837 N/A GLN 100.A NE2 ASP 101.A OD2 no hydrogen 2.798 N/A LEU 102.A N TYR 117.A O no hydrogen 3.034 N/A GLU 103.A N ARG 140.A O no hydrogen 2.680 N/A VAL 104.A N GLN 115.A O no hydrogen 2.930 N/A TYR 105.A N VAL 138.A O no hydrogen 2.853 N/A VAL 106.A N TYR 113.A O no hydrogen 2.858 N/A HIS 107.A N GLY 136.A O no hydrogen 2.830 N/A HIS 107.A ND1 THR 132.A OG1 no hydrogen 2.848 N/A ARG 108.A N THR 111.A O no hydrogen 2.988 N/A ARG 108.A NH1 ARG 71.A O no hydrogen 3.221 N/A ARG 108.A NH1 GLY 72.A O no hydrogen 2.933 N/A ASN 109.A ND2 TYR 113.A OH no hydrogen 3.181 N/A THR 111.A N ARG 108.A O no hydrogen 2.885 N/A THR 111.A OG1 ASN 109.A O no hydrogen 2.932 N/A ILE 112.A N GLY 130.A O no hydrogen 2.859 N/A TYR 113.A N VAL 106.A O no hydrogen 2.856 N/A HIS 114.A N LYS 127.A O no hydrogen 2.736 N/A HIS 114.A ND1 VAL 104.A O no hydrogen 2.978 N/A GLN 115.A N VAL 104.A O no hydrogen 3.231 N/A GLN 115.A NE2 GLU 87.A OE1 no hydrogen 2.872 N/A GLN 115.A NE2 PHE 124.A O no hydrogen 2.864 N/A TYR 117.A N LEU 102.A O no hydrogen 2.811 N/A TYR 117.A OH GLN 115.A OE1 no hydrogen 2.606 N/A LYS 118.A N VAL 121.A O no hydrogen 3.008 N/A LYS 118.A NZ ASP 101.A OD1 no hydrogen 2.802 N/A LYS 119.A N SER 99.A O no hydrogen 2.949 N/A LYS 119.A NZ GLU 146.A OE2 no hydrogen 2.811 N/A VAL 121.A N LYS 118.A O no hydrogen 2.921 N/A GLN 123.A N ALA 116.A O no hydrogen 2.849 N/A GLN 123.A NE2 VAL 121.A O no hydrogen 3.030 N/A LYS 127.A N HIS 114.A O no hydrogen 2.923 N/A VAL 129.A N ILE 112.A O no hydrogen 2.861 N/A THR 132.A N GLU 110.A O no hydrogen 3.139 N/A THR 132.A OG1 HIS 107.A ND1 no hydrogen 2.848 N/A THR 132.A OG1 LYS 134.A O no hydrogen 3.542 N/A LYS 134.A N THR 132.A OG1 no hydrogen 3.028 N/A THR 135.A OG1 GLY 70.A O no hydrogen 2.780 N/A GLY 136.A N HIS 107.A O no hydrogen 3.017 N/A THR 137.A N ASP 68.A O no hydrogen 3.338 N/A THR 137.A N ASP 68.A OD1 no hydrogen 3.259 N/A VAL 138.A N TYR 105.A O no hydrogen 2.837 N/A ILE 139.A N VAL 66.A O no hydrogen 2.819 N/A ARG 140.A N GLU 103.A O no hydrogen 2.885 N/A ARG 140.A NE GLU 59.A OE1 no hydrogen 2.780 N/A ARG 140.A NH1 GLU 103.A OE2 no hydrogen 2.896 N/A ARG 140.A NH2 GLU 59.A OE1 no hydrogen 2.775 N/A PHE 141.A N ILE 64.A O no hydrogen 2.881 N/A LYS 142.A N ASP 101.A O no hydrogen 2.910 N/A LYS 142.A NZ ASP 61.A O.A no hydrogen 2.736 N/A LYS 142.A NZ ASP 61.A O.B no hydrogen 2.732 N/A LYS 142.A NZ ASP 61.A OD2.A no hydrogen 3.261 N/A ASP 144.A N LEU 98.A O no hydrogen 2.911 N/A GLU 146.A N ASP 144.A OD1 no hydrogen 2.948 N/A ILE 147.A N ASP 144.A O no hydrogen 2.975 N/A PHE 148.A N ASP 144.A O no hydrogen 2.938 N/A VAL 153.A N THR 151.A OG1 no hydrogen 3.169 N/A TYR 154.A N ASN 62.A OD1 no hydrogen 3.060 N/A ASN 155.A N HIS 32.A NE2 no hydrogen 2.948 N/A TYR 156.A OH ASP 189.A OD2 no hydrogen 2.549 N/A THR 158.A N ASN 155.A OD1 no hydrogen 2.943 N/A LEU 159.A N ASN 155.A O no hydrogen 3.113 N/A GLN 160.A N TYR 156.A O no hydrogen 2.758 N/A GLN 160.A NE2 TYR 191.A OH no hydrogen 3.320 N/A GLN 161.A N GLU 157.A O.A no hydrogen 2.914 N/A GLN 161.A N GLU 157.A O.B no hydrogen 2.925 N/A ARG 162.A N THR 158.A O no hydrogen 3.497 N/A ARG 162.A NH1 GLU 165.A OE1.A no hydrogen 2.369 N/A ARG 162.A NH1 GLU 165.A OE1.B no hydrogen 3.560 N/A ILE 163.A N LEU 159.A O no hydrogen 2.869 N/A ARG 164.A N GLN 160.A O no hydrogen 2.906 N/A GLU 165.A N.A GLN 161.A O no hydrogen 3.132 N/A GLU 165.A N.B GLN 161.A O no hydrogen 3.116 N/A LEU 166.A N ARG 162.A O no hydrogen 2.794 N/A ALA 167.A N ILE 163.A O no hydrogen 3.009 N/A PHE 168.A N ARG 164.A O no hydrogen 3.011 N/A LEU 169.A N GLU 165.A O.A no hydrogen 2.849 N/A LEU 169.A N GLU 165.A O.B no hydrogen 2.863 N/A ASN 170.A N LEU 166.A O no hydrogen 2.917 N/A ASN 170.A ND2 LEU 166.A O no hydrogen 2.921 N/A LYS 171.A NZ.A PHE 168.A O no hydrogen 2.684 N/A LYS 171.A NZ.B GLU 194.A O no hydrogen 3.042 N/A GLY 172.A N TYR 193.A O no hydrogen 2.830 N/A ILE 173.A N ASN 170.A O no hydrogen 3.397 N/A GLN 174.A N ASN 52.A O no hydrogen 2.853 N/A GLN 174.A NE2 SER 190.A OG no hydrogen 3.335 N/A ILE 175.A N TYR 191.A O no hydrogen 2.777 N/A THR 176.A N ILE 54.A O no hydrogen 2.912 N/A THR 176.A OG1 SER 190.A OG no hydrogen 2.689 N/A LEU 177.A N ASP 189.A O no hydrogen 2.810 N/A ARG 178.A N VAL 56.A O no hydrogen 2.923 N/A ARG 178.A NE GLU 180.A OE2 no hydrogen 2.845 N/A ARG 178.A NH1 GLU 55.A OE2 no hydrogen 3.008 N/A ARG 178.A NH1 GLU 188.A OE1 no hydrogen 2.675 N/A ARG 178.A NH2 GLU 55.A OE2 no hydrogen 3.063 N/A ARG 178.A NH2 GLU 180.A OE2 no hydrogen 3.360 N/A ASP 179.A N ARG 187.A O no hydrogen 2.829 N/A GLU 180.A N ILE 58.A O no hydrogen 2.789 N/A ARG 181.A N ASP 179.A OD1 no hydrogen 3.066 N/A ARG 181.A NE ASP 179.A OD1 no hydrogen 2.920 N/A ARG 181.A NE ASP 179.A OD2 no hydrogen 3.452 N/A ARG 181.A NH1 ASN 62.A OD1 no hydrogen 2.918 N/A ARG 181.A NH1 TYR 154.A O no hydrogen 2.785 N/A ARG 181.A NH2 ASP 179.A OD2 no hydrogen 2.846 N/A GLU 183.A N GLU 183.A OE1 no hydrogen 2.963 N/A GLU 184.A N ASP 182.A OD1 no hydrogen 3.002 N/A ASN 185.A N ASP 182.A O no hydrogen 3.012 N/A ARG 187.A NH1 GLU 157.A OE2.A no hydrogen 2.557 N/A ASP 189.A N LEU 177.A O no hydrogen 2.909 N/A SER 190.A OG THR 176.A OG1 no hydrogen 2.689 N/A TYR 191.A N ILE 175.A O no hydrogen 2.805 N/A