Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ubb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N ASN 177.A OD1 no hydrogen 2.881 N/A ALA 6.A N ASP 2.A O no hydrogen 2.817 N/A LEU 7.A N LEU 3.A O no hydrogen 2.812 N/A LYS 8.A N SER 4.A O no hydrogen 3.081 N/A GLU 9.A N GLU 5.A O no hydrogen 2.949 N/A ALA 10.A N ALA 6.A O no hydrogen 2.885 N/A THR 11.A N LEU 7.A O no hydrogen 3.021 N/A THR 11.A OG1 LEU 7.A O no hydrogen 2.822 N/A LYS 12.A NZ GLU 9.A OE1 no hydrogen 2.809 N/A HIS 15.A N THR 11.A O no hydrogen 2.778 N/A HIS 15.A ND1 GLU 19.A OE2 no hydrogen 3.015 N/A ARG 17.A N GLU 13.A O no hydrogen 3.299 N/A ALA 18.A N VAL 14.A O no hydrogen 2.860 N/A GLU 19.A N HIS 15.A O no hydrogen 2.893 N/A ASN 20.A N ARG 17.A O no hydrogen 3.322 N/A ASN 20.A ND2 ILE 16.A O no hydrogen 2.713 N/A SER 21.A N ALA 18.A O no hydrogen 3.242 N/A SER 21.A OG ALA 18.A O no hydrogen 3.099 N/A ARG 25.A N SER 21.A O no hydrogen 2.846 N/A ARG 25.A NH1 ASN 20.A O no hydrogen 3.459 N/A ASN 26.A N GLU 22.A O no hydrogen 2.997 N/A PHE 27.A N PHE 23.A O no hydrogen 3.015 N/A GLN 28.A N MET 24.A O no hydrogen 2.789 N/A GLN 28.A NE2 MET 24.A O no hydrogen 3.521 N/A LYS 29.A N ARG 25.A O no hydrogen 2.940 N/A LYS 29.A N ASN 26.A O no hydrogen 3.188 N/A GLY 30.A N PHE 27.A O no hydrogen 2.907 N/A GLN 31.A N ASN 26.A O no hydrogen 2.836 N/A PHE 37.A N SER 33.A O no hydrogen 2.862 N/A LYS 38.A N ARG 34.A O no hydrogen 2.838 N/A LEU 39.A N GLU 35.A O no hydrogen 3.110 N/A VAL 40.A N GLY 36.A O no hydrogen 3.010 N/A MET 41.A N PHE 37.A O no hydrogen 2.989 N/A ALA 42.A N LYS 38.A O no hydrogen 3.055 N/A SER 43.A N LEU 39.A O no hydrogen 3.184 N/A SER 43.A OG LEU 39.A O no hydrogen 2.925 N/A SER 43.A OG THR 101.A OG1 no hydrogen 3.197 N/A LEU 44.A N VAL 40.A O no hydrogen 2.938 N/A TYR 45.A N MET 41.A O no hydrogen 2.842 N/A HIS 46.A N ALA 42.A O no hydrogen 3.251 N/A HIS 46.A NE2 PRO 96.A O no hydrogen 2.722 N/A ILE 47.A N SER 43.A O no hydrogen 3.081 N/A TYR 48.A N LEU 44.A O no hydrogen 2.892 N/A TYR 48.A OH ASP 130.A OD2 no hydrogen 2.488 N/A THR 49.A N TYR 45.A O no hydrogen 3.050 N/A THR 49.A OG1 TYR 45.A O no hydrogen 2.757 N/A ALA 50.A N HIS 46.A O no hydrogen 3.015 N/A LEU 51.A N ILE 47.A O no hydrogen 2.844 N/A GLU 52.A N TYR 48.A O no hydrogen 2.780 N/A GLU 53.A N THR 49.A O no hydrogen 3.028 N/A GLU 54.A N ALA 50.A O no hydrogen 3.029 N/A ILE 55.A N LEU 51.A O no hydrogen 2.930 N/A GLU 56.A N GLU 52.A O no hydrogen 3.039 N/A ARG 57.A N GLU 53.A O no hydrogen 3.126 N/A ARG 57.A NE GLU 54.A OE1 no hydrogen 2.637 N/A ARG 57.A NE GLU 54.A OE2 no hydrogen 3.424 N/A ARG 57.A NH2 GLU 54.A OE2 no hydrogen 3.002 N/A ASN 58.A N GLU 54.A O no hydrogen 3.051 N/A ASN 58.A N ILE 55.A O no hydrogen 3.063 N/A LYS 59.A N GLU 56.A O no hydrogen 3.326 N/A LYS 59.A NZ GLU 56.A OE1 no hydrogen 3.546 N/A ASN 61.A N ASN 58.A O no hydrogen 2.901 N/A VAL 63.A N ASN 61.A OD1 no hydrogen 3.050 N/A TYR 64.A N ASN 61.A O no hydrogen 2.903 N/A ALA 65.A N ASN 61.A O no hydrogen 2.819 N/A LEU 67.A N TYR 64.A O no hydrogen 2.698 N/A TYR 68.A N ALA 65.A O no hydrogen 2.969 N/A TYR 68.A OH GLU 56.A OE1 no hydrogen 3.124 N/A TYR 68.A OH GLU 56.A OE2 no hydrogen 2.824 N/A LEU 73.A N PHE 69.A O no hydrogen 2.937 N/A HIS 74.A N PRO 70.A O no hydrogen 3.209 N/A ARG 75.A N GLU 52.A OE2 no hydrogen 2.824 N/A ARG 75.A NE PHE 156.A O no hydrogen 3.040 N/A ARG 75.A NH1 LEU 73.A O no hydrogen 3.291 N/A ARG 75.A NH1 HIS 74.A O no hydrogen 3.133 N/A ARG 75.A NH2 PHE 156.A O no hydrogen 2.739 N/A ARG 75.A NH2 THR 158.A O no hydrogen 2.552 N/A ARG 76.A N GLU 52.A OE1 no hydrogen 3.002 N/A LEU 79.A N ARG 75.A O no hydrogen 2.772 N/A GLU 80.A N ARG 76.A O no hydrogen 2.903 N/A GLN 81.A N ALA 77.A O no hydrogen 3.185 N/A GLN 81.A NE2 ALA 77.A O no hydrogen 3.309 N/A ASP 82.A N ALA 78.A O no hydrogen 2.990 N/A MET 83.A N LEU 79.A O no hydrogen 2.757 N/A ALA 84.A N GLU 80.A O no hydrogen 3.187 N/A PHE 85.A N GLN 81.A O no hydrogen 3.048 N/A TRP 86.A N ASP 82.A O no hydrogen 2.881 N/A TRP 86.A NE1 GLY 153.A O no hydrogen 3.023 N/A TYR 87.A N MET 83.A O no hydrogen 2.769 N/A TYR 87.A OH LYS 38.A O no hydrogen 2.959 N/A GLY 88.A N ALA 84.A O no hydrogen 2.859 N/A ALA 94.A N TRP 91.A O no hydrogen 3.006 N/A ILE 95.A N TRP 91.A O no hydrogen 2.924 N/A THR 98.A OG1 THR 101.A OG1 no hydrogen 2.577 N/A THR 98.A OG1 GLU 206.A OE1 no hydrogen 2.607 N/A ALA 100.A N GLU 206.A OE2 no hydrogen 2.800 N/A THR 101.A N THR 98.A OG1 no hydrogen 3.184 N/A THR 101.A OG1 SER 43.A OG no hydrogen 3.197 N/A THR 101.A OG1 THR 98.A OG1 no hydrogen 2.577 N/A GLN 102.A N THR 98.A O no hydrogen 2.840 N/A HIS 103.A N PRO 99.A O no hydrogen 2.795 N/A TYR 104.A N ALA 100.A O no hydrogen 3.131 N/A VAL 105.A N THR 101.A O no hydrogen 2.941 N/A LYS 106.A N GLN 102.A O no hydrogen 2.797 N/A LYS 106.A NZ GLU 110.A OE2 no hydrogen 3.148 N/A ARG 107.A N HIS 103.A O no hydrogen 3.056 N/A ARG 107.A NE GLU 192.A OE1 no hydrogen 2.910 N/A ARG 107.A NH1 GLU 192.A OE1 no hydrogen 3.537 N/A ARG 107.A NH1 GLU 192.A OE2 no hydrogen 2.800 N/A ARG 107.A NH2 GLU 110.A OE1 no hydrogen 2.896 N/A LEU 108.A N TYR 104.A O no hydrogen 3.006 N/A HIS 109.A N VAL 105.A O no hydrogen 3.053 N/A HIS 109.A ND1 GLU 54.A OE2 no hydrogen 2.616 N/A GLU 110.A N LYS 106.A O no hydrogen 3.085 N/A VAL 111.A N ARG 107.A O no hydrogen 2.923 N/A GLY 112.A N LEU 108.A O no hydrogen 2.908 N/A GLY 113.A N HIS 109.A O no hydrogen 2.815 N/A THR 114.A N GLU 110.A O no hydrogen 2.627 N/A HIS 115.A N GLU 110.A O no hydrogen 3.367 N/A HIS 115.A N VAL 111.A O no hydrogen 2.814 N/A GLU 117.A N GLU 117.A OE2 no hydrogen 2.586 N/A LEU 118.A N HIS 115.A O no hydrogen 2.740 N/A LEU 119.A N PRO 116.A O no hydrogen 3.058 N/A ALA 121.A N LEU 118.A O no hydrogen 2.944 N/A HIS 122.A N LEU 119.A O no hydrogen 2.933 N/A HIS 122.A NE2 GLU 192.A OE1 no hydrogen 2.586 N/A ALA 123.A N LEU 119.A O no hydrogen 3.128 N/A TYR 124.A N VAL 120.A O no hydrogen 2.845 N/A THR 125.A N ALA 121.A O no hydrogen 3.166 N/A THR 125.A OG1 ALA 121.A O no hydrogen 2.931 N/A ARG 126.A N HIS 122.A O no hydrogen 3.239 N/A ARG 126.A NE TYR 48.A OH no hydrogen 2.570 N/A ARG 126.A NH1 TYR 48.A OH no hydrogen 2.854 N/A ARG 126.A NH1 ASP 130.A OD1 no hydrogen 3.227 N/A ARG 126.A NH2 ASN 200.A OD1 no hydrogen 2.706 N/A TYR 127.A N ALA 123.A O no hydrogen 2.856 N/A TYR 127.A OH GLU 52.A OE2 no hydrogen 2.694 N/A LEU 128.A N TYR 124.A O no hydrogen 3.115 N/A ASP 130.A N ARG 126.A O no hydrogen 2.900 N/A LEU 131.A N TYR 127.A O no hydrogen 2.983 N/A SER 132.A N GLY 129.A O no hydrogen 3.010 N/A SER 132.A OG LEU 128.A O no hydrogen 2.677 N/A GLY 134.A N GLY 129.A O no hydrogen 2.950 N/A GLN 135.A N SER 132.A O no hydrogen 3.232 N/A VAL 136.A N GLY 133.A O no hydrogen 2.944 N/A LEU 137.A N GLY 133.A O no hydrogen 2.956 N/A LYS 138.A N GLY 134.A O no hydrogen 2.887 N/A LYS 138.A NZ THR 158.A OG1 no hydrogen 3.146 N/A LYS 139.A NZ GLN 135.A O no hydrogen 3.538 N/A ILE 140.A N VAL 136.A O no hydrogen 3.323 N/A ALA 141.A N LEU 137.A O no hydrogen 2.747 N/A GLN 142.A N LYS 138.A O no hydrogen 2.973 N/A LYS 143.A N LYS 139.A O no hydrogen 3.152 N/A ALA 144.A N ILE 140.A O no hydrogen 2.991 N/A MET 145.A N ALA 141.A O no hydrogen 2.963 N/A LEU 147.A N GLN 142.A O no hydrogen 3.045 N/A SER 150.A OG GLU 152.A OE2 no hydrogen 2.377 N/A GLY 151.A N PRO 148.A O no hydrogen 3.108 N/A GLU 152.A N GLU 152.A OE2 no hydrogen 2.610 N/A LEU 154.A N GLY 151.A O no hydrogen 2.937 N/A ALA 155.A N ASP 82.A OD2 no hydrogen 2.799 N/A PHE 156.A N ASP 82.A OD1 no hydrogen 2.786 N/A PHE 157.A N LEU 154.A O no hydrogen 3.054 N/A THR 158.A N ALA 155.A O no hydrogen 2.931 N/A THR 158.A OG1 LEU 154.A O no hydrogen 3.075 N/A SER 161.A OG GLU 71.A O no hydrogen 3.421 N/A SER 161.A OG GLU 71.A OE2 no hydrogen 3.146 N/A ILE 162.A N PHE 159.A O no hydrogen 3.194 N/A LYS 167.A N ASN 164.A OD1 no hydrogen 2.885 N/A PHE 168.A N ASN 164.A O no hydrogen 2.844 N/A LYS 169.A N PRO 165.A O no hydrogen 2.913 N/A LYS 169.A NZ LEU 131.A O no hydrogen 3.451 N/A LYS 169.A NZ SER 132.A OG no hydrogen 3.238 N/A GLN 170.A N THR 166.A O no hydrogen 3.259 N/A GLN 170.A NE2 THR 166.A O no hydrogen 3.081 N/A LEU 171.A N LYS 167.A O no hydrogen 3.002 N/A TYR 172.A N PHE 168.A O no hydrogen 2.776 N/A ARG 173.A N LYS 169.A O no hydrogen 2.799 N/A ALA 174.A N GLN 170.A O no hydrogen 3.042 N/A ARG 175.A N LEU 171.A O no hydrogen 2.857 N/A MET 176.A N TYR 172.A O no hydrogen 2.888 N/A ASN 177.A N ARG 173.A O no hydrogen 3.202 N/A ASN 177.A N ALA 174.A O no hydrogen 3.061 N/A ASN 177.A ND2 SER 4.A OG no hydrogen 2.897 N/A THR 178.A N ARG 175.A O no hydrogen 3.056 N/A THR 178.A OG1 ARG 175.A O no hydrogen 2.670 N/A LEU 179.A N MET 176.A O no hydrogen 3.357 N/A VAL 185.A N THR 182.A OG1 no hydrogen 3.314 N/A LYS 186.A N THR 182.A O no hydrogen 2.905 N/A LYS 186.A NZ GLN 1.A O no hydrogen 2.634 N/A HIS 187.A N PRO 183.A O no hydrogen 2.930 N/A ARG 188.A N GLU 184.A O no hydrogen 3.215 N/A ARG 188.A NE GLU 184.A OE2 no hydrogen 2.425 N/A ARG 188.A NH2 GLU 117.A OE1 no hydrogen 2.728 N/A ARG 188.A NH2 GLU 184.A OE2 no hydrogen 2.745 N/A VAL 189.A N VAL 185.A O no hydrogen 2.835 N/A THR 190.A N LYS 186.A O no hydrogen 3.152 N/A THR 190.A OG1 LYS 186.A O no hydrogen 3.344 N/A THR 190.A OG1 HIS 187.A O no hydrogen 2.958 N/A GLU 191.A N HIS 187.A O no hydrogen 3.112 N/A GLU 192.A N ARG 188.A O no hydrogen 2.785 N/A ALA 193.A N VAL 189.A O no hydrogen 3.047 N/A LYS 194.A N THR 190.A O no hydrogen 3.302 N/A LYS 194.A NZ ALA 10.A O no hydrogen 3.109 N/A THR 195.A N GLU 191.A O no hydrogen 3.196 N/A THR 195.A OG1 GLU 191.A O no hydrogen 3.330 N/A ALA 196.A N GLU 192.A O no hydrogen 2.842 N/A PHE 197.A N ALA 193.A O no hydrogen 2.972 N/A LEU 198.A N LYS 194.A O no hydrogen 2.933 N/A LEU 199.A N THR 195.A O no hydrogen 2.855 N/A ASN 200.A N ALA 196.A O no hydrogen 3.092 N/A ASN 200.A ND2 TYR 104.A OH no hydrogen 2.883 N/A ASN 200.A ND2 ALA 196.A O no hydrogen 2.897 N/A ILE 201.A N PHE 197.A O no hydrogen 2.804 N/A GLU 202.A N LEU 198.A O no hydrogen 2.740 N/A LEU 203.A N LEU 199.A O no hydrogen 3.014 N/A PHE 204.A N ASN 200.A O no hydrogen 3.023 N/A GLU 205.A N ILE 201.A O no hydrogen 2.964 N/A GLU 206.A N GLU 202.A O no hydrogen 2.993 N/A LEU 207.A N LEU 203.A O no hydrogen 2.832 N/A GLN 208.A N PHE 204.A O no hydrogen 2.870 N/A ALA 209.A N GLU 205.A O no hydrogen 3.093 N/A LEU 210.A N GLU 206.A O no hydrogen 2.967 N/A LEU 211.A N LEU 207.A O no hydrogen 3.049 N/A LEU 211.A N GLN 208.A O no hydrogen 3.206 N/A THR 212.A N ALA 209.A O no hydrogen 2.948 N/A THR 212.A OG1 GLN 208.A O no hydrogen 3.277 N/A THR 212.A OG1 ALA 209.A O no hydrogen 3.342 N/A