Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e3q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N VAL 103.A O no hydrogen 3.110 N/A HIS 3.A ND1 ASP 29.A OD1 no hydrogen 3.261 N/A SER 4.A N ASP 29.A OD2 no hydrogen 3.318 N/A MET 5.A N CYS 101.A O no hydrogen 2.987 N/A ARG 6.A N TYR 27.A O no hydrogen 2.814 N/A ARG 6.A NE MET 5.A O no hydrogen 2.945 N/A TYR 7.A N TYR 99.A O no hydrogen 2.786 N/A TYR 8.A N VAL 25.A O no hydrogen 2.870 N/A GLU 9.A N ARG 97.A O no hydrogen 2.863 N/A THR 10.A N THR 23.A O no hydrogen 2.910 N/A THR 10.A OG1 THR 23.A OG1 no hydrogen 2.836 N/A ALA 11.A N LEU 95.A O no hydrogen 2.870 N/A THR 12.A N ARG 21.A O no hydrogen 2.935 N/A SER 13.A N HIS 93.A O no hydrogen 2.848 N/A SER 13.A OG HIS 93.A O no hydrogen 3.430 N/A LEU 17.A N ARG 14.A O no hydrogen 2.683 N/A ARG 21.A N THR 12.A O no hydrogen 2.847 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.284 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 3.324 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.902 N/A TYR 22.A N SER 38.A OG no hydrogen 2.771 N/A TYR 22.A OH GLU 9.A OE2 no hydrogen 2.602 N/A THR 23.A N THR 10.A O no hydrogen 3.081 N/A THR 23.A OG1 THR 10.A O no hydrogen 3.455 N/A THR 23.A OG1 THR 10.A OG1 no hydrogen 2.836 N/A SER 24.A N PHE 36.A O no hydrogen 2.986 N/A SER 24.A OG TYR 45.A OH no hydrogen 2.458 N/A VAL 25.A N TYR 8.A O no hydrogen 3.074 N/A GLY 26.A N VAL 34.A O no hydrogen 3.029 N/A TYR 27.A N ARG 6.A O no hydrogen 2.743 N/A VAL 28.A N LYS 31.A O no hydrogen 2.878 N/A ASP 29.A N SER 4.A O no hydrogen 2.539 N/A LYS 31.A N VAL 28.A O no hydrogen 2.952 N/A PHE 33.A N GLY 26.A O no hydrogen 3.006 N/A ARG 35.A N GLU 46.A O no hydrogen 3.097 N/A ARG 35.A NH1 GLU 32.A OE1 no hydrogen 2.831 N/A PHE 36.A N SER 24.A O no hydrogen 2.793 N/A SER 38.A N TYR 22.A O no hydrogen 2.843 N/A SER 38.A OG TYR 22.A O no hydrogen 3.262 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 3.069 N/A ALA 40.A N ASP 37.A O no hydrogen 3.216 N/A TYR 45.A N THR 64.A OG1 no hydrogen 3.053 N/A TYR 45.A OH SER 24.A OG no hydrogen 2.458 N/A GLU 46.A N ARG 35.A O no hydrogen 2.865 N/A GLN 48.A N PHE 33.A O no hydrogen 2.994 N/A GLN 48.A NE2 GLU 46.A O no hydrogen 3.344 N/A MET 52.A N VAL 49.A O no hydrogen 3.171 N/A GLU 53.A N PRO 50.A O no hydrogen 2.785 N/A TYR 59.A N GLY 56.A O no hydrogen 3.244 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.985 N/A GLU 61.A N PRO 57.A O no hydrogen 3.030 N/A ARG 62.A N GLU 58.A O no hydrogen 3.206 N/A ILE 63.A N TYR 59.A O no hydrogen 3.082 N/A THR 64.A N TRP 60.A O no hydrogen 3.098 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.718 N/A GLN 65.A N GLU 61.A O no hydrogen 2.950 N/A VAL 66.A N ARG 62.A O no hydrogen 2.848 N/A ALA 67.A N ILE 63.A O no hydrogen 3.144 N/A LYS 68.A N THR 64.A O no hydrogen 3.072 N/A GLY 69.A N GLN 65.A O no hydrogen 3.166 N/A GLN 70.A N VAL 66.A O no hydrogen 2.824 N/A GLU 71.A N ALA 67.A O no hydrogen 2.869 N/A GLN 72.A N LYS 68.A O no hydrogen 3.454 N/A TRP 73.A N GLY 69.A O no hydrogen 3.113 N/A PHE 74.A N GLN 70.A O no hydrogen 3.121 N/A ARG 75.A N GLU 71.A O no hydrogen 3.059 N/A VAL 76.A N GLN 72.A O no hydrogen 2.907 N/A ASN 77.A N TRP 73.A O no hydrogen 2.823 N/A LEU 78.A N PHE 74.A O no hydrogen 2.834 N/A ARG 79.A N VAL 76.A O no hydrogen 2.961 N/A THR 80.A N VAL 76.A O no hydrogen 3.084 N/A LEU 81.A N ASN 77.A O no hydrogen 3.000 N/A LEU 82.A N LEU 78.A O no hydrogen 3.163 N/A LEU 82.A N ARG 79.A O no hydrogen 2.918 N/A GLY 83.A N ARG 79.A O no hydrogen 3.285 N/A TYR 84.A N THR 80.A O no hydrogen 3.094 N/A TYR 85.A N LEU 81.A O no hydrogen 3.070 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 2.856 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.667 N/A ASN 86.A N GLY 83.A O no hydrogen 2.676 N/A GLN 87.A N LEU 82.A O no hydrogen 2.934 N/A GLN 87.A NE2 TYR 118.A OH no hydrogen 2.703 N/A THR 92.A OG1 SER 13.A O no hydrogen 2.913 N/A HIS 93.A N SER 13.A O no hydrogen 3.104 N/A HIS 93.A N SER 13.A OG no hydrogen 3.293 N/A HIS 93.A ND1 ASP 119.A OD1 no hydrogen 2.676 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 3.141 N/A THR 94.A N ASP 119.A OD2 no hydrogen 2.913 N/A LEU 95.A N ALA 11.A O no hydrogen 2.860 N/A GLN 96.A N ALA 117.A O no hydrogen 2.821 N/A ARG 97.A N GLU 9.A O no hydrogen 2.724 N/A ARG 97.A NE GLU 114.A OE1 no hydrogen 2.630 N/A ARG 97.A NH1 GLU 9.A OE1 no hydrogen 3.156 N/A ARG 97.A NH1 GLN 70.A OE1 no hydrogen 3.419 N/A ARG 97.A NH2 GLU 114.A OE1 no hydrogen 3.067 N/A ARG 97.A NH2 GLU 114.A OE2 no hydrogen 3.253 N/A MET 98.A N GLN 115.A O no hydrogen 2.985 N/A TYR 99.A N TYR 7.A O no hydrogen 3.151 N/A GLY 100.A N TYR 113.A O no hydrogen 3.279 N/A CYS 101.A N MET 5.A O no hydrogen 3.111 N/A ASP 102.A N ARG 111.A O no hydrogen 2.982 N/A VAL 103.A N HIS 3.A O no hydrogen 2.889 N/A GLY 104.A N ARG 108.A O no hydrogen 3.018 N/A GLY 107.A N GLY 104.A O no hydrogen 2.623 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 2.827 N/A LEU 110.A N ASP 102.A O no hydrogen 2.713 N/A ARG 111.A N ASP 102.A O no hydrogen 3.415 N/A ARG 111.A NH1 GLY 112.A O no hydrogen 3.096 N/A TYR 113.A N GLY 100.A O no hydrogen 2.904 N/A TYR 113.A OH ASP 102.A OD2 no hydrogen 2.979 N/A GLN 115.A N MET 98.A O no hydrogen 2.939 N/A PHE 116.A N ILE 124.A O no hydrogen 2.761 N/A ALA 117.A N GLN 96.A O no hydrogen 2.998 N/A TYR 118.A N CYS 121.A O no hydrogen 2.927 N/A ASP 119.A N THR 94.A O no hydrogen 2.615 N/A CYS 121.A N TYR 118.A O no hydrogen 2.925 N/A TYR 123.A N PHE 116.A O no hydrogen 2.851 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.571 N/A ILE 124.A N PHE 116.A O no hydrogen 3.241 N/A ALA 125.A N THR 134.A O no hydrogen 3.052 N/A LEU 126.A N GLU 114.A O no hydrogen 2.860 N/A ASN 127.A N THR 132.A O no hydrogen 2.970 N/A ASN 127.A ND2 THR 134.A OG1 no hydrogen 2.470 N/A LEU 130.A N ASN 127.A O no hydrogen 2.931 N/A ARG 131.A N ASP 129.A OD2 no hydrogen 2.834 N/A ARG 131.A NH1 ASP 129.A O no hydrogen 2.748 N/A THR 132.A N ASP 129.A OD2 no hydrogen 3.006 N/A THR 132.A OG1 ASN 127.A OD1 no hydrogen 2.890 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 2.692 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 3.232 N/A THR 134.A N ALA 125.A O no hydrogen 2.942 N/A ALA 136.A N TYR 123.A O no hydrogen 2.939 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 3.103 N/A ILE 142.A N ALA 139.A O no hydrogen 2.898 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.571 N/A ARG 144.A N ALA 140.A O no hydrogen 2.896 N/A ARG 145.A N GLN 141.A O no hydrogen 3.102 N/A LYS 146.A N ILE 142.A O no hydrogen 3.287 N/A TRP 147.A N THR 143.A O no hydrogen 2.833 N/A GLU 148.A N ARG 144.A O no hydrogen 2.770 N/A GLU 148.A N ARG 145.A O no hydrogen 3.087 N/A GLN 149.A N ARG 145.A O no hydrogen 2.975 N/A ALA 150.A N LYS 146.A O no hydrogen 2.752 N/A ALA 152.A N TRP 147.A O no hydrogen 2.857 N/A TYR 155.A N GLY 151.A O no hydrogen 3.346 N/A TYR 156.A N ALA 152.A O no hydrogen 3.048 N/A ARG 157.A N ALA 153.A O no hydrogen 2.892 N/A ARG 157.A NH1 GLU 161.A OE2 no hydrogen 2.798 N/A ALA 158.A N GLU 154.A O no hydrogen 3.022 N/A LEU 160.A N TYR 156.A O no hydrogen 2.973 N/A GLU 161.A N ARG 157.A O no hydrogen 2.814 N/A GLY 162.A N TYR 159.A O no hydrogen 3.166 N/A CYS 164.A N TYR 159.A O no hydrogen 3.055 N/A GLU 166.A N GLY 162.A O no hydrogen 2.901 N/A TRP 167.A N GLU 163.A O no hydrogen 3.092 N/A LEU 168.A N CYS 164.A O no hydrogen 2.911 N/A HIS 169.A N VAL 165.A O no hydrogen 3.243 N/A HIS 169.A N GLU 166.A O no hydrogen 3.229 N/A ARG 170.A N GLU 166.A O no hydrogen 3.158 N/A TYR 171.A N TRP 167.A O no hydrogen 2.924 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.985 N/A LEU 172.A N LEU 168.A O no hydrogen 2.989 N/A LYS 173.A N HIS 169.A O no hydrogen 2.982 N/A ASN 174.A N ARG 170.A O no hydrogen 3.173 N/A ASN 174.A ND2 GLU 55.A OE2 no hydrogen 3.120 N/A