Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ess_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N ASN 11.A O no hydrogen 2.792 N/A VAL 3.A N THR 10.A O no hydrogen 2.932 N/A THR 5.A N GLY 8.A O no hydrogen 2.996 N/A THR 5.A OG1 GLY 8.A O no hydrogen 2.692 N/A GLN 7.A N THR 5.A OG1 no hydrogen 3.066 N/A THR 10.A N VAL 3.A O no hydrogen 2.841 N/A THR 10.A OG1 ASN 11.A OD1 no hydrogen 2.897 N/A TRP 12.A NE1 PRO 162.A O no hydrogen 2.866 N/A THR 13.A N GLU 16.A OE1 no hydrogen 2.909 N/A TYR 14.A OH GLU 18.A OE1 no hydrogen 2.683 N/A GLN 15.A N GLN 15.A OE1 no hydrogen 2.841 N/A GLU 16.A N THR 13.A OG1 no hydrogen 3.098 N/A LEU 17.A N THR 13.A O no hydrogen 2.940 N/A GLU 18.A N TYR 14.A O no hydrogen 2.754 N/A ALA 19.A N GLN 15.A O no hydrogen 3.214 N/A THR 20.A N GLU 16.A O no hydrogen 3.160 N/A THR 20.A OG1 GLU 16.A O no hydrogen 2.868 N/A HIS 21.A N LEU 17.A O no hydrogen 2.799 N/A HIS 21.A ND1 TYR 98.A OH no hydrogen 2.666 N/A GLN 22.A N GLU 18.A O no hydrogen 2.874 N/A GLN 22.A NE2 GLU 18.A O no hydrogen 3.304 N/A ALA 23.A N ALA 19.A O no hydrogen 2.988 N/A LEU 24.A N THR 20.A O no hydrogen 2.871 N/A THR 25.A N HIS 21.A O no hydrogen 2.961 N/A THR 25.A OG1 HIS 21.A O no hydrogen 3.302 N/A ARG 26.A N GLN 22.A O no hydrogen 3.009 N/A GLU 27.A N ALA 23.A O no hydrogen 2.833 N/A GLY 28.A N THR 25.A O no hydrogen 3.031 N/A TYR 29.A N LEU 24.A O no hydrogen 2.935 N/A VAL 30.A N ILE 99.A O no hydrogen 2.845 N/A VAL 32.A N VAL 97.A O no hydrogen 2.882 N/A TYR 34.A N ALA 61.A O no hydrogen 2.843 N/A TYR 34.A OH GLU 183.A OE1 no hydrogen 2.737 N/A HIS 35.A N LEU 95.A O no hydrogen 2.878 N/A HIS 35.A ND1 TYR 59.A O no hydrogen 2.716 N/A THR 37.A N VAL 93.A O no hydrogen 3.052 N/A VAL 40.A N ASN 38.A OD1 no hydrogen 2.918 N/A ALA 41.A N ASN 38.A OD1 no hydrogen 2.913 N/A ALA 42.A N ASN 38.A O no hydrogen 2.937 N/A GLN 43.A N HIS 39.A O no hydrogen 3.391 N/A GLN 43.A NE2 GLN 43.A O no hydrogen 3.269 N/A GLN 43.A NE2 ASN 47.A OD1 no hydrogen 2.944 N/A THR 44.A N VAL 40.A O no hydrogen 3.232 N/A THR 44.A OG1 VAL 40.A O no hydrogen 3.331 N/A ILE 45.A N ALA 41.A O no hydrogen 2.966 N/A VAL 46.A N ALA 42.A O no hydrogen 2.957 N/A ASN 47.A N GLN 43.A O no hydrogen 2.918 N/A ARG 48.A N THR 44.A O no hydrogen 2.991 N/A LYS 54.A NZ.A GLU 118.A OE1 no hydrogen 2.939 N/A LYS 54.A NZ.A GLU 118.A OE2 no hydrogen 3.108 N/A LYS 54.A NZ.B GLU 118.A OE1 no hydrogen 3.532 N/A LYS 54.A NZ.B GLU 118.A OE2 no hydrogen 2.866 N/A GLY 56.A N GLU 53.A O no hydrogen 3.058 N/A LEU 58.A N ILE 150.A O no hydrogen 2.905 N/A TYR 59.A OH TRP 55.A O no hydrogen 2.650 N/A VAL 60.A N THR 148.A O no hydrogen 2.886 N/A ALA 61.A N TYR 34.A O no hydrogen 2.884 N/A VAL 66.A N HIS 63.A O no hydrogen 2.926 N/A HIS 68.A N ALA 64.A O no hydrogen 2.884 N/A GLY 69.A N GLU 65.A O no hydrogen 3.140 N/A TYR 70.A N ALA 67.A O no hydrogen 2.928 N/A ALA 71.A N HIS 68.A O no hydrogen 3.073 N/A ARG 72.A N TYR 70.A O no hydrogen 2.857 N/A ARG 72.A NE ALA 169.A O no hydrogen 2.963 N/A ARG 72.A NH2 TYR 170.A O no hydrogen 2.807 N/A LYS 74.A NZ TYR 70.A O no hydrogen 2.970 N/A LYS 74.A NZ ARG 72.A O no hydrogen 2.886 N/A THR 77.A N GLU 87.A OE1 no hydrogen 2.898 N/A THR 77.A OG1 GLU 87.A OE1 no hydrogen 3.433 N/A THR 77.A OG1 GLU 87.A OE2 no hydrogen 2.632 N/A GLY 78.A N LEU 82.A O no hydrogen 2.707 N/A GLY 81.A N GLY 78.A O no hydrogen 3.176 N/A LEU 82.A N GLU 79.A O no hydrogen 3.012 N/A THR 84.A N GLU 87.A OE1 no hydrogen 2.962 N/A ARG 85.A NE ASP 89.A OD2 no hydrogen 3.064 N/A GLU 87.A N THR 84.A OG1 no hydrogen 3.149 N/A ARG 88.A N THR 84.A O no hydrogen 2.867 N/A ARG 88.A NH1 PRO 83.A O no hydrogen 3.086 N/A ASP 89.A N ARG 85.A O no hydrogen 2.922 N/A ALA 90.A N ALA 86.A O no hydrogen 3.015 N/A ARG 91.A N PRO 6.A O no hydrogen 2.859 N/A ARG 91.A NH1 ALA 90.A O no hydrogen 3.076 N/A GLY 92.A N ASN 168.A O no hydrogen 2.909 N/A VAL 93.A N THR 37.A O no hydrogen 2.852 N/A LEU 95.A N HIS 35.A O no hydrogen 2.812 N/A ARG 96.A N ILE 161.A O no hydrogen 2.761 N/A ARG 96.A NE TYR 98.A OH no hydrogen 3.037 N/A ARG 96.A NH1 GLU 183.A OE1 no hydrogen 3.038 N/A ARG 96.A NH1 SER 187.A OG no hydrogen 2.759 N/A ARG 96.A NH2 HIS 21.A ND1 no hydrogen 3.543 N/A ARG 96.A NH2 TYR 98.A OH no hydrogen 3.045 N/A ARG 96.A NH2 ILE 186.A O no hydrogen 2.822 N/A VAL 97.A N GLY 33.A O no hydrogen 2.933 N/A TYR 98.A N VAL 159.A O no hydrogen 2.850 N/A TYR 98.A OH HIS 21.A ND1 no hydrogen 2.666 N/A ILE 99.A N VAL 30.A O no hydrogen 2.939 N/A ARG 101.A N GLY 28.A O no hydrogen 2.905 N/A SER 103.A N PRO 100.A O no hydrogen 2.890 N/A LEU 104.A N ARG 101.A O no hydrogen 3.019 N/A GLU 105.A N ALA 102.A O no hydrogen 3.166 N/A ARG 106.A N SER 103.A O no hydrogen 3.059 N/A ARG 106.A NE ASN 133.A O no hydrogen 2.742 N/A ARG 106.A NH2 ASN 133.A OD1 no hydrogen 2.898 N/A PHE 107.A N LEU 104.A O no hydrogen 3.251 N/A TYR 108.A N ALA 135.A O no hydrogen 2.934 N/A ARG 109.A N LYS 193.A O no hydrogen 2.972 N/A ARG 109.A NE ASP 146.A OD2 no hydrogen 2.913 N/A ARG 109.A NH1 ASN 111.A OD1 no hydrogen 2.830 N/A ARG 109.A NH1 GLU 194.A OE1 no hydrogen 3.071 N/A ARG 109.A NH2 ASP 146.A OD1 no hydrogen 2.888 N/A ARG 109.A NH2 ASP 146.A OD2 no hydrogen 3.557 N/A THR 110.A N THR 137.A O no hydrogen 2.902 N/A ASN 111.A ND2 LEU 199.A O no hydrogen 2.911 N/A THR 112.A N THR 110.A OG1 no hydrogen 3.111 N/A LEU 114.A N PRO 139.A O no hydrogen 2.997 N/A ASN 116.A N PRO 113.A O no hydrogen 2.835 N/A ALA 117.A N LEU 114.A O no hydrogen 2.958 N/A ILE 121.A N ALA 117.A O no hydrogen 2.872 N/A THR 122.A N GLU 118.A O no hydrogen 2.955 N/A THR 122.A OG1 GLU 118.A O no hydrogen 3.156 N/A THR 122.A OG1 GLU 119.A O no hydrogen 3.066 N/A GLN 123.A N GLU 119.A O no hydrogen 3.253 N/A GLN 123.A NE2 GLU 119.A O no hydrogen 2.928 N/A VAL 124.A N HIS 120.A O no hydrogen 2.982 N/A ILE 125.A N ILE 121.A O no hydrogen 2.962 N/A GLY 126.A N THR 122.A O no hydrogen 2.934 N/A HIS 127.A N THR 122.A O no hydrogen 3.252 N/A HIS 127.A ND1 SER 128.A O no hydrogen 2.705 N/A HIS 127.A NE2 GLU 134.A OE2 no hydrogen 2.720 N/A ARG 132.A N GLU 134.A OE1 no hydrogen 2.778 N/A ALA 135.A N ARG 106.A O no hydrogen 2.972 N/A PHE 136.A N VAL 149.A O no hydrogen 2.915 N/A THR 137.A N TYR 108.A O no hydrogen 2.879 N/A THR 137.A OG1 THR 148.A OG1 no hydrogen 2.660 N/A GLY 138.A N GLU 147.A O no hydrogen 3.056 N/A GLU 140.A N GLU 145.A O no hydrogen 2.824 N/A GLY 144.A N SER 141.A O no hydrogen 2.925 N/A GLU 147.A N GLY 138.A O no hydrogen 2.907 N/A THR 148.A N VAL 60.A O no hydrogen 2.813 N/A THR 148.A OG1 THR 137.A OG1 no hydrogen 2.660 N/A VAL 149.A N PHE 136.A O no hydrogen 2.862 N/A ILE 150.A N LEU 58.A O no hydrogen 2.852 N/A GLY 151.A N GLU 134.A O no hydrogen 2.832 N/A MET 154.A N GLY 151.A O no hydrogen 2.953 N/A ALA 155.A N GLY 151.A O no hydrogen 2.818 N/A ILE 156.A N TRP 152.A O no hydrogen 2.999 N/A HIS 157.A N MET 154.A O no hydrogen 2.959 N/A ALA 158.A N ALA 155.A O no hydrogen 2.915 N/A VAL 159.A N TYR 98.A O no hydrogen 2.918 N/A ILE 161.A N ARG 96.A O no hydrogen 3.048 N/A SER 163.A N MET 94.A O no hydrogen 2.848 N/A SER 163.A OG GLU 183.A OE1 no hydrogen 2.836 N/A SER 163.A OG GLU 183.A OE2 no hydrogen 3.015 N/A THR 164.A N GLU 183.A OE2 no hydrogen 2.704 N/A THR 164.A OG1 GLU 183.A OE2 no hydrogen 2.665 N/A ILE 165.A N SER 163.A OG no hydrogen 2.904 N/A ASN 168.A N ALA 71.A O no hydrogen 2.852 N/A ASN 168.A ND2 HIS 68.A O no hydrogen 2.989 N/A ASN 168.A ND2 GLU 172.A OE1 no hydrogen 3.015 N/A ALA 169.A N ASN 168.A OD1 no hydrogen 2.824 N/A LEU 173.A N ASN 168.A OD1 no hydrogen 2.866 N/A ALA 179.A N ASP 176.A OD1 no hydrogen 3.258 N/A VAL 180.A N ASP 176.A O no hydrogen 3.169 N/A ALA 181.A N GLU 177.A O no hydrogen 2.909 N/A LYS 182.A N GLU 178.A O no hydrogen 2.909 N/A GLU 183.A N ALA 179.A O no hydrogen 3.182 N/A GLU 183.A N VAL 180.A O no hydrogen 3.192 N/A GLN 184.A N ALA 181.A O no hydrogen 3.123 N/A ILE 186.A N GLU 183.A O no hydrogen 3.124 N/A SER 187.A N GLN 184.A O no hydrogen 2.957 N/A SER 187.A OG TYR 34.A OH no hydrogen 3.199 N/A SER 187.A OG GLU 183.A O no hydrogen 2.704 N/A LYS 193.A N PHE 107.A O no hydrogen 2.854 N/A ARG 195.A NE GLU 198.A OE2 no hydrogen 2.604 N/A ARG 195.A NH1 GLU 198.A OE2 no hydrogen 3.428 N/A GLU 198.A N ARG 195.A O no hydrogen 2.779 N/A LEU 199.A N LYS 196.A O no hydrogen 3.120 N/A