Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qua_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 GLN 2.A O no hydrogen 3.017 N/A ARG 1.A NH1 ASP 99.A OD2 no hydrogen 2.949 N/A TRP 3.A NE1 CYS 176.A O no hydrogen 2.886 N/A ALA 4.A N ASP 99.A OD2 no hydrogen 2.676 N/A VAL 5.A N THR 35.A O no hydrogen 2.983 N/A CYS 6.A N ALA 100.A O no hydrogen 2.945 N/A CYS 6.A SG VAL 37.A O no hydrogen 3.999 N/A VAL 7.A N VAL 37.A O no hydrogen 2.747 N/A TYR 8.A N ILE 102.A O no hydrogen 2.746 N/A ALA 10.A N PRO 105.A O no hydrogen 3.130 N/A LEU 18.A N HIS 15.A O no hydrogen 2.927 N/A LEU 19.A N HIS 15.A O no hydrogen 3.062 N/A GLU 20.A N PRO 16.A O no hydrogen 2.849 N/A LEU 21.A N GLU 17.A O no hydrogen 3.151 N/A ALA 22.A N LEU 18.A O no hydrogen 2.943 N/A ALA 23.A N LEU 19.A O no hydrogen 2.826 N/A GLU 24.A N GLU 20.A O no hydrogen 3.050 N/A VAL 25.A N LEU 21.A O no hydrogen 3.009 N/A GLY 26.A N ALA 22.A O no hydrogen 3.017 N/A SER 27.A N ALA 23.A O no hydrogen 2.900 N/A SER 27.A OG ALA 23.A O no hydrogen 3.154 N/A SER 28.A N GLU 24.A O no hydrogen 2.982 N/A SER 28.A OG GLU 24.A O no hydrogen 2.995 N/A ILE 29.A N VAL 25.A O no hydrogen 2.919 N/A ALA 30.A N GLY 26.A O no hydrogen 3.131 N/A ALA 31.A N SER 27.A O no hydrogen 2.798 N/A ARG 32.A N SER 28.A O no hydrogen 3.160 N/A ARG 32.A N ILE 29.A O no hydrogen 3.245 N/A ARG 32.A NH1 GLU 174.A OE2.A no hydrogen 3.302 N/A ARG 32.A NH2 GLU 174.A OE2.A no hydrogen 2.563 N/A GLY 33.A N ALA 30.A O no hydrogen 2.906 N/A TRP 34.A N ILE 29.A O no hydrogen 3.141 N/A THR 35.A N TRP 3.A O no hydrogen 2.879 N/A THR 35.A OG1 GLN 2.A OE1 no hydrogen 2.964 N/A LEU 36.A N HIS 59.A O no hydrogen 3.036 N/A VAL 37.A N VAL 5.A O no hydrogen 2.865 N/A SER 38.A N VAL 61.A O no hydrogen 3.032 N/A ASN 42.A N GLU 72.A O no hydrogen 3.094 N/A ASN 42.A N LEU 73.A O no hydrogen 2.770 N/A SER 44.A OG ALA 10.A O no hydrogen 3.290 N/A SER 44.A OG PRO 13.A O no hydrogen 2.691 N/A MET 46.A N ALA 10.A O no hydrogen 3.319 N/A GLY 47.A N VAL 43.A O no hydrogen 2.948 N/A ALA 48.A N SER 44.A O no hydrogen 3.152 N/A VAL 49.A N ALA 45.A O no hydrogen 2.825 N/A GLN 51.A N GLY 47.A O no hydrogen 2.928 N/A GLN 51.A NE2 ASN 42.A OD1 no hydrogen 2.625 N/A ALA 52.A N ALA 48.A O no hydrogen 3.119 N/A ALA 53.A N VAL 49.A O no hydrogen 3.107 N/A ARG 54.A N ALA 50.A O no hydrogen 2.996 N/A ARG 54.A NH1 THR 60.A OG1 no hydrogen 3.260 N/A ARG 54.A NH1 ASP 75.A OD2 no hydrogen 2.765 N/A ARG 54.A NH2 ASP 75.A OD2 no hydrogen 3.266 N/A ALA 55.A N GLN 51.A O no hydrogen 2.976 N/A LYS 56.A N ALA 52.A O no hydrogen 3.334 N/A LYS 56.A N ALA 53.A O no hydrogen 3.210 N/A GLY 57.A N ARG 54.A O no hydrogen 2.908 N/A GLY 58.A N ALA 53.A O no hydrogen 2.864 N/A HIS 59.A NE2 GLU 80.A OE2 no hydrogen 2.872 N/A VAL 61.A N LEU 36.A O no hydrogen 2.786 N/A GLY 62.A N GLU 80.A O no hydrogen 2.804 N/A VAL 63.A N SER 38.A O no hydrogen 2.976 N/A ILE 64.A N ILE 82.A O no hydrogen 2.947 N/A LYS 66.A N THR 84.A O no hydrogen 2.768 N/A LYS 66.A NZ ASP 85.A OD1 no hydrogen 2.792 N/A LEU 68.A N PRO 65.A O no hydrogen 2.990 N/A VAL 69.A N LYS 66.A O no hydrogen 3.276 N/A ARG 71.A NH2 ALA 67.A O no hydrogen 3.276 N/A GLU 72.A N LEU 68.A O no hydrogen 2.782 N/A ALA 74.A N VAL 69.A O no hydrogen 2.879 N/A ASP 75.A N GLY 40.A O no hydrogen 2.698 N/A ASP 77.A N ASP 75.A OD1 no hydrogen 3.040 N/A ALA 78.A N ASP 75.A O no hydrogen 3.102 N/A ALA 79.A N THR 60.A OG1 no hydrogen 3.183 N/A GLU 80.A N THR 60.A O no hydrogen 3.043 N/A ILE 82.A N GLY 62.A O no hydrogen 2.700 N/A THR 84.A N ILE 64.A O no hydrogen 2.888 N/A THR 84.A OG1 THR 86.A O no hydrogen 2.713 N/A GLU 89.A N THR 86.A OG1 no hydrogen 3.035 N/A ARG 90.A N THR 86.A O no hydrogen 3.028 N/A ARG 90.A NE VAL 63.A O no hydrogen 2.796 N/A ARG 90.A NH2 GLY 39.A O no hydrogen 2.898 N/A ARG 90.A NH2 GLU 72.A OE1 no hydrogen 3.083 N/A LYS 91.A N MET 87.A O no hydrogen 3.037 N/A LYS 91.A NZ GLU 112.A OE1 no hydrogen 2.751 N/A LYS 91.A NZ GLU 112.A OE2 no hydrogen 3.330 N/A LYS 91.A NZ GLU 116.A OE2 no hydrogen 2.993 N/A ARG 92.A N ARG 88.A O no hydrogen 2.950 N/A GLU 93.A N GLU 89.A O no hydrogen 2.901 N/A MET 94.A N ARG 90.A O no hydrogen 2.990 N/A GLU 95.A N LYS 91.A O no hydrogen 2.923 N/A HIS 96.A N ARG 92.A O no hydrogen 2.837 N/A ARG 97.A N GLU 93.A O no hydrogen 3.008 N/A ARG 97.A NE GLU 93.A OE1 no hydrogen 2.795 N/A ARG 97.A NH1 GLU 80.A OE1 no hydrogen 3.408 N/A ARG 97.A NH2 GLU 93.A OE1 no hydrogen 3.273 N/A SER 98.A N GLU 95.A O no hydrogen 3.132 N/A SER 98.A OG MET 94.A O no hydrogen 2.605 N/A ASP 99.A N ALA 4.A O no hydrogen 2.750 N/A PHE 101.A N PRO 129.A O no hydrogen 2.991 N/A ILE 102.A N CYS 6.A O no hydrogen 2.787 N/A ALA 103.A N ILE 131.A O no hydrogen 2.819 N/A LEU 104.A N TYR 8.A O no hydrogen 2.837 N/A LEU 111.A N GLY 107.A O no hydrogen 2.946 N/A GLU 112.A N ILE 108.A O no hydrogen 2.903 N/A GLU 113.A N GLY 109.A O no hydrogen 3.282 N/A PHE 114.A N THR 110.A O no hydrogen 2.961 N/A PHE 115.A N LEU 111.A O no hydrogen 2.883 N/A GLU 116.A N GLU 112.A O no hydrogen 3.051 N/A ALA 117.A N GLU 113.A O no hydrogen 2.977 N/A TRP 118.A N PHE 114.A O no hydrogen 2.891 N/A TRP 118.A NE1 ALA 159.A O no hydrogen 3.011 N/A THR 119.A N PHE 115.A O no hydrogen 2.931 N/A THR 119.A OG1 PHE 115.A O no hydrogen 2.987 N/A ALA 120.A N GLU 116.A O no hydrogen 3.054 N/A GLY 121.A N ALA 117.A O no hydrogen 3.022 N/A TYR 122.A N TRP 118.A O no hydrogen 2.887 N/A TYR 122.A OH SER 156.A OG no hydrogen 2.712 N/A LEU 123.A N THR 119.A O no hydrogen 2.924 N/A GLY 124.A N GLY 121.A O no hydrogen 3.040 N/A MET 125.A N ALA 120.A O no hydrogen 2.868 N/A HIS 126.A NE2 ALA 117.A O no hydrogen 3.199 N/A LYS 128.A N HIS 126.A ND1 no hydrogen 2.883 N/A LYS 128.A NZ GLU 95.A O no hydrogen 3.055 N/A LYS 128.A NZ SER 98.A O no hydrogen 2.916 N/A ILE 131.A N PHE 101.A O no hydrogen 2.819 N/A LEU 132.A N VAL 164.A O no hydrogen 2.643 N/A LEU 133.A N ALA 103.A O no hydrogen 2.932 N/A ASP 134.A N VAL 166.A O no hydrogen 2.962 N/A HIS 138.A N ASP 134.A OD1 no hydrogen 2.941 N/A HIS 138.A NE2 GLY 106.A O no hydrogen 3.130 N/A TYR 139.A N ASP 134.A OD2 no hydrogen 2.684 N/A TYR 139.A OH LEU 104.A O no hydrogen 2.652 N/A ASP 140.A N GLY 137.A O no hydrogen 3.360 N/A LEU 143.A N TYR 139.A O no hydrogen 2.917 N/A THR 144.A N ASP 140.A O no hydrogen 3.011 N/A THR 144.A OG1 ASP 140.A O no hydrogen 3.192 N/A TRP 145.A N GLY 141.A O no hydrogen 3.065 N/A LEU 146.A N LEU 142.A O no hydrogen 2.762 N/A ARG 147.A N LEU 143.A O no hydrogen 2.925 N/A GLY 148.A N THR 144.A O no hydrogen 3.171 N/A LEU 149.A N LEU 146.A O no hydrogen 3.003 N/A VAL 150.A N ARG 147.A O no hydrogen 3.149 N/A THR 152.A OG1 GLY 148.A O no hydrogen 3.569 N/A THR 152.A OG1 LEU 149.A O no hydrogen 3.560 N/A GLY 153.A N VAL 150.A O no hydrogen 2.875 N/A VAL 155.A N LEU 149.A O no hydrogen 3.061 N/A SER 156.A OG TYR 122.A OH no hydrogen 2.712 N/A GLN 157.A NE2 ASP 161.A OD1 no hydrogen 3.009 N/A ALA 159.A N SER 156.A OG no hydrogen 2.952 N/A MET 160.A N SER 156.A O no hydrogen 3.067 N/A ASP 161.A N GLN 157.A O no hydrogen 2.815 N/A SER 162.A N ARG 158.A O no hydrogen 3.028 N/A SER 162.A N ALA 159.A O no hydrogen 3.260 N/A SER 162.A OG ALA 159.A O no hydrogen 2.870 N/A LEU 163.A N MET 160.A O no hydrogen 3.241 N/A VAL 164.A N LEU 130.A O no hydrogen 2.948 N/A VAL 166.A N LEU 132.A O no hydrogen 3.034 N/A ASN 168.A ND2 ASP 167.A OD1 no hydrogen 2.907 N/A ALA 171.A N ASN 168.A OD1 no hydrogen 2.899 N/A ALA 172.A N ASN 168.A O no hydrogen 3.195 N/A LEU 173.A N VAL 169.A O no hydrogen 2.986 N/A GLU 174.A N GLU 170.A O no hydrogen 3.030 N/A ALA 175.A N ALA 171.A O no hydrogen 3.144 N/A CYS 176.A N ALA 172.A O no hydrogen 3.118 N/A CYS 176.A N LEU 173.A O no hydrogen 3.073 N/A CYS 176.A SG ALA 172.A O no hydrogen 3.334 N/A ALA 177.A N GLU 174.A O no hydrogen 3.280 N/A