Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1u0a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N ILE 69.A O no hydrogen 2.678 N/A SER 5.A OG SER 213.A OG no hydrogen 3.274 N/A PHE 6.A N TYR 211.A O no hydrogen 3.032 N/A GLU 8.A N VAL 209.A O no hydrogen 2.871 N/A PHE 10.A N GLU 8.A OE1 no hydrogen 2.756 N/A GLY 16.A N ASN 14.A OD1 no hydrogen 2.892 N/A THR 17.A N ASN 14.A O no hydrogen 2.981 N/A THR 17.A N ASN 14.A OD1 no hydrogen 3.196 N/A THR 17.A OG1 ASN 14.A O no hydrogen 3.410 N/A TRP 18.A N ASN 14.A O no hydrogen 2.953 N/A TRP 18.A NE1 GLU 8.A OE2 no hydrogen 2.881 N/A GLU 19.A N ARG 65.A O no hydrogen 2.724 N/A LYS 20.A NZ VAL 39.A O no hydrogen 2.881 N/A ALA 21.A N GLU 63.A O no hydrogen 3.023 N/A GLY 23.A N TRP 34.A O no hydrogen 3.112 N/A SER 25.A OG PHE 30.A O no hydrogen 3.162 N/A SER 25.A OG CYS 32.A O no hydrogen 2.904 N/A GLY 27.A N SER 25.A OG no hydrogen 2.896 N/A PHE 30.A N GLY 27.A O no hydrogen 2.936 N/A ASN 31.A N ASN 185.A O no hydrogen 2.918 N/A THR 33.A N PHE 59.A O no hydrogen 3.018 N/A TRP 34.A N TYR 24.A O no hydrogen 2.832 N/A TRP 34.A NE1 ASN 26.A OD1 no hydrogen 2.946 N/A ARG 35.A N CYS 61.A O no hydrogen 3.006 N/A ARG 35.A NE ASP 60.A OD2 no hydrogen 2.908 N/A ALA 36.A N ASP 22.A OD1 no hydrogen 2.820 N/A ASN 38.A N ARG 35.A O no hydrogen 2.924 N/A ASN 38.A ND2 GLY 50.A O no hydrogen 3.018 N/A ASN 38.A ND2 THR 52.A OG1 no hydrogen 2.907 N/A VAL 39.A N ALA 36.A O no hydrogen 3.073 N/A ASN 40.A N LYS 48.A O no hydrogen 3.098 N/A ASN 40.A ND2 ASN 37.A O no hydrogen 2.947 N/A THR 42.A N LYS 46.A O no hydrogen 2.814 N/A THR 42.A OG1 ASP 44.A OD1 no hydrogen 2.398 N/A THR 42.A OG1 LYS 46.A O no hydrogen 3.437 N/A GLY 45.A N THR 42.A O no hydrogen 3.305 N/A LYS 46.A N THR 42.A OG1 no hydrogen 2.962 N/A LYS 46.A NZ ASP 44.A O no hydrogen 3.109 N/A LYS 46.A NZ ASP 207.A OD1 no hydrogen 3.117 N/A LEU 47.A N TYR 206.A O no hydrogen 2.893 N/A LYS 48.A N ASN 40.A O no hydrogen 2.689 N/A LEU 49.A N ALA 204.A O no hydrogen 2.896 N/A GLY 50.A N ASN 38.A O no hydrogen 2.906 N/A LEU 51.A N LEU 202.A O no hydrogen 2.848 N/A THR 52.A N ASP 60.A O no hydrogen 2.862 N/A SER 53.A OG LYS 58.A O no hydrogen 2.739 N/A LYS 58.A N ALA 55.A O no hydrogen 3.016 N/A ASP 60.A N THR 52.A O no hydrogen 2.835 N/A CYS 61.A N THR 33.A O no hydrogen 2.897 N/A ALA 62.A N LEU 183.A O no hydrogen 3.363 N/A TYR 64.A N MET 181.A O no hydrogen 2.906 N/A ARG 65.A N GLU 19.A O no hydrogen 2.847 N/A ARG 65.A NE GLU 19.A OE1 no hydrogen 2.838 N/A ARG 65.A NH1 GLU 63.A OE1 no hydrogen 2.853 N/A SER 66.A N ILE 179.A O no hydrogen 2.886 N/A SER 66.A OG ASN 68.A O no hydrogen 2.630 N/A THR 67.A N THR 17.A O no hydrogen 2.787 N/A THR 67.A OG1 GLY 16.A O no hydrogen 3.029 N/A TYR 70.A N GLY 177.A O no hydrogen 2.718 N/A GLY 73.A N TRP 151.A O no hydrogen 2.864 N/A LEU 74.A N THR 212.A O no hydrogen 2.820 N/A TYR 75.A N PHE 149.A O no hydrogen 2.864 N/A TYR 75.A OH GLY 71.A O no hydrogen 2.603 N/A GLU 76.A N LYS 210.A O no hydrogen 2.816 N/A VAL 77.A N TYR 147.A O no hydrogen 2.835 N/A SER 78.A N TRP 208.A O no hydrogen 3.034 N/A MET 79.A N HIS 145.A O no hydrogen 3.221 N/A LYS 80.A N GLU 205.A O no hydrogen 2.770 N/A ALA 82.A N SER 89.A OG no hydrogen 3.030 N/A LYS 83.A NZ THR 115.A OG1 no hydrogen 3.138 N/A LYS 83.A NZ ASP 139.A OD1 no hydrogen 2.500 N/A ASN 84.A N GLY 112.A O no hydrogen 3.017 N/A ASN 84.A ND2 THR 85.A O no hydrogen 2.847 N/A ASN 84.A ND2 ASN 197.A OD1 no hydrogen 2.984 N/A THR 85.A OG1 SER 195.A O no hydrogen 2.702 N/A GLY 86.A N LEU 193.A O no hydrogen 2.825 N/A VAL 88.A N TRP 184.A O no hydrogen 2.914 N/A SER 89.A N PHE 110.A O no hydrogen 3.121 N/A SER 90.A N ASN 182.A O no hydrogen 2.901 N/A SER 90.A OG ASN 182.A O no hydrogen 3.335 N/A SER 90.A OG ASN 182.A OD1 no hydrogen 2.507 N/A PHE 91.A N ILE 108.A O no hydrogen 3.046 N/A PHE 92.A N MET 180.A O no hydrogen 2.918 N/A THR 93.A N ILE 106.A O no hydrogen 2.890 N/A THR 93.A OG1 ILE 106.A O no hydrogen 3.479 N/A TYR 94.A N LYS 178.A O no hydrogen 2.828 N/A THR 95.A N ASP 104.A O no hydrogen 3.053 N/A THR 95.A OG1 THR 101.A OG1 no hydrogen 2.686 N/A HIS 99.A N GLY 96.A O no hydrogen 2.665 N/A GLY 100.A N PRO 97.A O no hydrogen 2.787 N/A THR 101.A N GLY 96.A O no hydrogen 3.166 N/A THR 101.A OG1 THR 95.A OG1 no hydrogen 2.686 N/A THR 101.A OG1 GLY 96.A O no hydrogen 3.444 N/A THR 101.A OG1 GLN 102.A O no hydrogen 2.751 N/A GLN 102.A NE2 ASP 104.A OD1 no hydrogen 3.372 N/A GLN 102.A NE2 ASP 104.A OD2 no hydrogen 2.851 N/A TRP 103.A NE1 GLN 105.A OE1 no hydrogen 2.964 N/A ASP 104.A N THR 95.A O no hydrogen 3.098 N/A GLN 105.A N TYR 123.A O no hydrogen 3.080 N/A GLN 105.A NE2 ASP 107.A OD1 no hydrogen 2.918 N/A ILE 106.A N THR 93.A O no hydrogen 3.195 N/A ILE 106.A N THR 93.A OG1 no hydrogen 3.144 N/A ASP 107.A N ASN 121.A O no hydrogen 2.951 N/A ILE 108.A N PHE 91.A O no hydrogen 2.864 N/A GLN 109.A N GLN 119.A O no hydrogen 2.863 N/A PHE 110.A N SER 89.A O no hydrogen 2.863 N/A GLY 112.A N ILE 87.A O no hydrogen 2.873 N/A LYS 113.A NZ TRP 192.A O no hydrogen 2.928 N/A ASP 114.A N LEU 111.A O no hydrogen 3.023 N/A THR 115.A OG1 ASP 139.A OD2 no hydrogen 2.615 N/A THR 116.A N ASP 114.A OD2 no hydrogen 2.998 N/A THR 116.A OG1 ASP 114.A OD1 no hydrogen 3.515 N/A THR 116.A OG1 ASP 114.A OD2 no hydrogen 2.633 N/A LYS 117.A N ASP 114.A O no hydrogen 3.289 N/A LYS 117.A NZ ASP 114.A OD1 no hydrogen 3.204 N/A VAL 118.A N ILE 134.A O no hydrogen 2.960 N/A GLN 119.A N GLN 109.A O no hydrogen 2.854 N/A PHE 120.A N LYS 132.A O no hydrogen 2.884 N/A ASN 121.A N ASP 107.A O no hydrogen 3.184 N/A TYR 122.A OH ALA 170.A O no hydrogen 2.574 N/A TYR 123.A N GLN 105.A O no hydrogen 2.963 N/A THR 124.A N VAL 127.A O no hydrogen 2.910 N/A THR 124.A OG1 ASN 171.A O no hydrogen 2.632 N/A ASN 125.A N ASP 104.A OD2 no hydrogen 2.824 N/A GLY 126.A N TRP 103.A O no hydrogen 2.803 N/A VAL 127.A N THR 124.A O no hydrogen 2.869 N/A HIS 130.A N ASN 121.A OD1 no hydrogen 3.082 N/A GLU 131.A N GLU 131.A OE2 no hydrogen 2.802 N/A LYS 132.A N PHE 120.A O no hydrogen 2.904 N/A ILE 134.A N VAL 118.A O no hydrogen 2.871 N/A LEU 136.A N THR 116.A O no hydrogen 2.895 N/A ALA 140.A N THR 115.A O no hydrogen 2.835 N/A SER 141.A N ASP 139.A OD2 no hydrogen 2.984 N/A SER 141.A OG ASP 139.A OD2 no hydrogen 2.682 N/A LYS 142.A N ASP 139.A O no hydrogen 3.069 N/A HIS 145.A N MET 79.A O no hydrogen 3.387 N/A HIS 145.A ND1 ASP 161.A OD2 no hydrogen 3.310 N/A THR 146.A N ASP 161.A OD1 no hydrogen 3.001 N/A TYR 147.A N VAL 77.A O no hydrogen 2.811 N/A ALA 148.A N TYR 159.A O no hydrogen 3.073 N/A PHE 149.A N TYR 75.A O no hydrogen 2.967 N/A ASP 150.A N LYS 157.A O no hydrogen 2.784 N/A TRP 151.A N GLY 73.A O no hydrogen 2.920 N/A TRP 151.A NE1 PRO 173.A O no hydrogen 2.840 N/A GLN 152.A N TYR 155.A O no hydrogen 2.847 N/A GLN 152.A NE2 ASN 214.A OD1 no hydrogen 2.753 N/A TYR 155.A N GLN 152.A O no hydrogen 3.145 N/A ILE 156.A N ALA 168.A O no hydrogen 2.950 N/A LYS 157.A N ASP 150.A O no hydrogen 3.016 N/A TRP 158.A N HIS 166.A O no hydrogen 3.015 N/A TYR 159.A N ALA 148.A O no hydrogen 2.817 N/A VAL 160.A N VAL 163.A O no hydrogen 3.002 N/A ASP 161.A N THR 146.A O no hydrogen 2.737 N/A VAL 163.A N VAL 160.A O no hydrogen 2.924 N/A LYS 165.A N TRP 158.A O no hydrogen 2.908 N/A ALA 168.A N ILE 156.A O no hydrogen 2.898 N/A SER 174.A N ASP 104.A OD1 no hydrogen 3.185 N/A THR 175.A N ASP 104.A OD1 no hydrogen 2.945 N/A THR 175.A OG1 ASP 104.A OD1 no hydrogen 2.732 N/A GLY 177.A N TYR 70.A O no hydrogen 2.906 N/A LYS 178.A N TYR 94.A O no hydrogen 2.947 N/A ILE 179.A N SER 66.A OG no hydrogen 2.924 N/A MET 180.A N PHE 92.A O no hydrogen 2.701 N/A MET 181.A N TYR 64.A O no hydrogen 2.950 N/A ASN 182.A N SER 90.A OG no hydrogen 3.029 N/A ASN 182.A ND2 GLU 63.A OE2 no hydrogen 2.926 N/A LEU 183.A N ALA 62.A O no hydrogen 3.024 N/A TRP 184.A N VAL 88.A O no hydrogen 3.007 N/A ASN 185.A ND2 ASN 31.A O no hydrogen 2.919 N/A GLY 186.A N GLY 86.A O no hydrogen 3.034 N/A THR 187.A N VAL 29.A O no hydrogen 2.935 N/A TRP 192.A N VAL 189.A O no hydrogen 3.094 N/A TRP 192.A NE1 GLN 119.A OE1 no hydrogen 3.028 N/A LEU 193.A N VAL 189.A O no hydrogen 2.960 N/A GLY 194.A N ASP 190.A O no hydrogen 2.821 N/A TYR 196.A OH ALA 199.A O no hydrogen 2.674 N/A ALA 199.A N ASN 197.A OD1 no hydrogen 3.321 N/A ASN 200.A ND2 GLY 198.A O no hydrogen 2.898 N/A LEU 202.A N LEU 51.A O no hydrogen 3.036 N/A ALA 204.A N LEU 49.A O no hydrogen 2.959 N/A GLU 205.A N LYS 80.A O no hydrogen 2.966 N/A TYR 206.A N LEU 47.A O no hydrogen 2.912 N/A TYR 206.A OH SER 90.A O no hydrogen 2.804 N/A ASP 207.A N SER 78.A O no hydrogen 2.769 N/A VAL 209.A N GLU 8.A O no hydrogen 2.978 N/A LYS 210.A N GLU 76.A O no hydrogen 2.853 N/A TYR 211.A N PHE 6.A O no hydrogen 3.123 N/A TYR 211.A OH GLY 71.A O no hydrogen 3.181 N/A TYR 211.A OH TYR 72.A O no hydrogen 2.679 N/A THR 212.A N LEU 74.A O no hydrogen 2.840 N/A SER 213.A N SER 5.A OG no hydrogen 2.958 N/A SER 213.A OG SER 5.A OG no hydrogen 3.274 N/A ASN 214.A ND2 GLN 152.A OE1 no hydrogen 3.002 N/A