Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4q3k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A N VAL 22.A O no hydrogen 2.877 N/A SER 6.A N CYS 20.A O no hydrogen 2.989 N/A ILE 8.A N LEU 18.A O no hydrogen 3.001 N/A ASN 11.A ND2 ASP 87.A OD1 no hydrogen 2.982 N/A ASN 11.A ND2 ASP 90.A OD2 no hydrogen 2.864 N/A HIS 13.A N ASN 11.A OD1 no hydrogen 2.917 N/A HIS 13.A ND1 ASP 87.A OD1 no hydrogen 2.660 N/A VAL 16.A N HIS 13.A O no hydrogen 3.213 N/A THR 17.A N ARG 72.A O no hydrogen 3.092 N/A LEU 18.A N ILE 8.A O no hydrogen 2.775 N/A THR 19.A N VAL 70.A O no hydrogen 2.821 N/A CYS 20.A N SER 6.A O no hydrogen 2.726 N/A TYR 21.A N ALA 68.A O no hydrogen 2.749 N/A TYR 21.A OH GLU 55.A OE2 no hydrogen 2.599 N/A VAL 22.A N ASN 4.A O no hydrogen 3.036 N/A GLN 23.A N ASN 67.A OD1 no hydrogen 2.871 N/A GLN 23.A NE2 LEU 62.A O no hydrogen 2.985 N/A GLN 23.A NE2 TYR 66.A O no hydrogen 2.841 N/A GLU 28.A N SER 26.A OG no hydrogen 2.927 N/A MET 29.A N SER 26.A O no hydrogen 3.004 N/A MET 32.A N MET 29.A O no hydrogen 3.449 N/A SER 33.A N SER 30.A O no hydrogen 3.299 N/A ARG 35.A N HIS 103.A O no hydrogen 2.886 N/A ARG 35.A NH1 GLY 65.A O no hydrogen 3.050 N/A ALA 37.A N LYS 108.A O no hydrogen 2.925 N/A MET 38.A N ASN 67.A O no hydrogen 2.879 N/A LEU 39.A N ALA 110.A O no hydrogen 2.796 N/A ILE 40.A N PHE 69.A O no hydrogen 2.764 N/A PHE 41.A N ILE 112.A O no hydrogen 2.768 N/A GLY 43.A N GLU 53.A OE1 no hydrogen 2.761 N/A TYR 46.A OH HIS 119.A ND1 no hydrogen 2.770 N/A GLN 47.A N GLY 44.A O no hydrogen 2.888 N/A GLN 47.A NE2 GLY 45.A O no hydrogen 3.062 N/A PHE 48.A N GLY 44.A O no hydrogen 3.283 N/A CYS 49.A SG TYR 73.A O no hydrogen 3.844 N/A SER 50.A N GLY 43.A O no hydrogen 2.858 N/A ARG 52.A N SER 50.A OG no hydrogen 3.152 N/A ARG 52.A NE VAL 212.A O no hydrogen 2.798 N/A ARG 52.A NH1 GLY 204.A O no hydrogen 2.807 N/A ARG 52.A NH2 GLY 204.A O no hydrogen 2.989 N/A ARG 52.A NH2 VAL 212.A O no hydrogen 3.154 N/A GLU 53.A N SER 50.A O no hydrogen 3.201 N/A ALA 54.A N ASP 51.A O no hydrogen 3.129 N/A ALA 58.A N ALA 54.A O no hydrogen 2.978 N/A LEU 59.A N GLU 55.A O no hydrogen 2.838 N/A SER 60.A N PRO 56.A O no hydrogen 3.238 N/A SER 60.A OG PRO 56.A O no hydrogen 2.836 N/A TYR 61.A N ILE 57.A O no hydrogen 3.110 N/A TYR 61.A OH SER 231.A OG no hydrogen 2.715 N/A LEU 62.A N ALA 58.A O no hydrogen 2.803 N/A ALA 63.A N LEU 59.A O no hydrogen 3.010 N/A LYS 64.A N TYR 61.A O no hydrogen 3.030 N/A GLY 65.A N LEU 62.A O no hydrogen 2.899 N/A TYR 66.A N TYR 61.A O no hydrogen 3.081 N/A ASN 67.A N PRO 36.A O no hydrogen 3.051 N/A ASN 67.A ND2 LEU 102.A O no hydrogen 3.018 N/A ALA 68.A N TYR 21.A O no hydrogen 3.144 N/A PHE 69.A N MET 38.A O no hydrogen 2.889 N/A VAL 70.A N THR 19.A O no hydrogen 2.783 N/A LEU 71.A N ILE 40.A O no hydrogen 2.947 N/A ARG 72.A N THR 17.A O no hydrogen 2.956 N/A ARG 72.A NH1 CYS 49.A O no hydrogen 2.996 N/A ARG 72.A NH2 ASP 51.A OD1 no hydrogen 2.771 N/A TYR 73.A OH PRO 42.A O no hydrogen 2.618 N/A SER 74.A N ASP 87.A OD2 no hydrogen 2.917 N/A SER 74.A OG ASP 87.A OD2 no hydrogen 2.594 N/A LYS 76.A N TYR 46.A O no hydrogen 2.753 N/A GLU 77.A N GLU 77.A OE1 no hydrogen 2.763 N/A HIS 78.A N VAL 75.A O no hydrogen 3.041 N/A ALA 79.A N LYS 76.A O no hydrogen 2.995 N/A VAL 80.A N HIS 78.A O no hydrogen 2.869 N/A ARG 83.A N VAL 80.A O no hydrogen 2.933 N/A ILE 86.A N PRO 82.A O no hydrogen 2.966 N/A ASP 87.A N ARG 83.A O no hydrogen 3.056 N/A ALA 88.A N PRO 84.A O no hydrogen 2.927 N/A GLU 89.A N LEU 85.A O no hydrogen 2.770 N/A ASP 90.A N ILE 86.A O no hydrogen 2.758 N/A ALA 91.A N ASP 87.A O no hydrogen 2.926 N/A LEU 92.A N ALA 88.A O no hydrogen 3.038 N/A SER 93.A N GLU 89.A O no hydrogen 2.849 N/A SER 93.A OG GLU 89.A O no hydrogen 3.082 N/A TYR 94.A N ASP 90.A O no hydrogen 2.891 N/A LEU 95.A N ALA 91.A O no hydrogen 3.121 N/A LYS 96.A N LEU 92.A O no hydrogen 3.060 N/A LYS 96.A NZ PRO 106.A O no hydrogen 2.783 N/A ASP 97.A N SER 93.A O no hydrogen 2.802 N/A ASN 98.A N TYR 94.A O no hydrogen 3.071 N/A ASN 98.A ND2 TYR 94.A O no hydrogen 2.864 N/A LEU 102.A N ASN 98.A O no hydrogen 2.967 N/A HIS 103.A N HIS 100.A O no hydrogen 3.172 N/A ILE 104.A N ALA 99.A O no hydrogen 3.023 N/A ASN 105.A N ARG 35.A O no hydrogen 3.019 N/A ASP 107.A N ASN 105.A OD1 no hydrogen 2.937 N/A LYS 108.A N ASN 105.A O no hydrogen 3.005 N/A LYS 108.A NZ LEU 239.A O no hydrogen 2.945 N/A LYS 108.A NZ ASP 240.A O no hydrogen 2.676 N/A ILE 109.A N ASN 133.A OD1 no hydrogen 2.913 N/A ALA 110.A N ALA 37.A O no hydrogen 2.878 N/A VAL 111.A N ALA 134.A O no hydrogen 2.962 N/A ILE 112.A N LEU 39.A O no hydrogen 2.792 N/A GLY 113.A N VAL 136.A O no hydrogen 2.988 N/A PHE 114.A N PHE 41.A O no hydrogen 3.177 N/A SER 115.A N GLY 138.A O no hydrogen 2.883 N/A SER 115.A OG HIS 203.A NE2 no hydrogen 3.027 N/A GLY 117.A N PHE 114.A O no hydrogen 2.705 N/A GLY 118.A N SER 115.A O no hydrogen 2.867 N/A HIS 119.A N SER 115.A O no hydrogen 2.995 N/A HIS 119.A ND1 TYR 46.A OH no hydrogen 2.770 N/A HIS 119.A NE2 PRO 152.A O no hydrogen 2.765 N/A LEU 120.A N ALA 116.A O no hydrogen 3.013 N/A ALA 121.A N GLY 117.A O no hydrogen 2.887 N/A THR 122.A N GLY 118.A O no hydrogen 2.925 N/A THR 122.A OG1 GLY 118.A O no hydrogen 2.805 N/A THR 123.A N HIS 119.A O no hydrogen 2.980 N/A THR 123.A OG1 HIS 119.A O no hydrogen 2.834 N/A LEU 124.A N LEU 120.A O no hydrogen 2.863 N/A ALA 125.A N ALA 121.A O no hydrogen 2.906 N/A THR 126.A N THR 123.A O no hydrogen 3.261 N/A THR 126.A OG1 THR 122.A O no hydrogen 2.759 N/A THR 126.A OG1 THR 123.A O no hydrogen 3.393 N/A GLU 127.A N THR 123.A O no hydrogen 3.026 N/A GLY 128.A N LEU 124.A O no hydrogen 2.924 N/A LYS 129.A N GLU 89.A OE2 no hydrogen 2.839 N/A LYS 129.A NZ.A SER 93.A OG no hydrogen 2.784 N/A ARG 131.A NE GLY 128.A O no hydrogen 2.870 N/A ARG 131.A NH1 ALA 125.A O no hydrogen 2.982 N/A ARG 131.A NH1 ASP 157.A OD1 no hydrogen 2.879 N/A ARG 131.A NH2 ASP 157.A OD2 no hydrogen 2.971 N/A ASN 133.A N ILE 109.A O no hydrogen 2.751 N/A VAL 135.A N GLU 162.A O no hydrogen 3.131 N/A VAL 136.A N VAL 111.A O no hydrogen 2.790 N/A LEU 137.A N PHE 164.A O no hydrogen 2.721 N/A GLY 138.A N GLY 113.A O no hydrogen 2.927 N/A TYR 139.A N PHE 166.A O no hydrogen 2.857 N/A TYR 139.A OH GLU 53.A OE2 no hydrogen 2.587 N/A ALA 141.A N SER 115.A O no hydrogen 3.484 N/A LEU 142.A N HIS 178.A ND1 no hydrogen 2.907 N/A ILE 143.A N HIS 178.A ND1 no hydrogen 3.096 N/A ARG 144.A N THR 153.A OG1 no hydrogen 2.975 N/A ARG 144.A NE.A ASN 150.A OD1 no hydrogen 3.397 N/A ARG 144.A NE.B ASN 150.A OD1 no hydrogen 2.708 N/A ARG 144.A NH2.B ASN 150.A OD1 no hydrogen 2.712 N/A HIS 145.A N TRP 149.A O no hydrogen 2.842 N/A LYS 147.A N HIS 145.A ND1 no hydrogen 3.049 N/A TYR 148.A N HIS 145.A ND1 no hydrogen 3.300 N/A TRP 149.A N HIS 145.A O no hydrogen 2.846 N/A PHE 151.A N TRP 149.A O no hydrogen 2.911 N/A ASP 157.A N THR 160.A OG1 no hydrogen 3.007 N/A GLN 158.A NE2 ALA 189.A O no hydrogen 2.974 N/A GLN 159.A N ASP 157.A OD1 no hydrogen 3.057 N/A THR 160.A N ASP 157.A O no hydrogen 3.100 N/A THR 160.A OG1 ASP 157.A O no hydrogen 3.005 N/A THR 160.A OG1 ASP 157.A OD1 no hydrogen 2.873 N/A PHE 164.A N VAL 135.A O no hydrogen 2.825 N/A VAL 165.A N GLU 194.A O no hydrogen 2.792 N/A PHE 166.A N LEU 137.A O no hydrogen 2.888 N/A HIS 167.A N HIS 196.A O no hydrogen 3.017 N/A THR 168.A OG1 GLY 201.A O no hydrogen 2.547 N/A PHE 169.A N PHE 198.A O no hydrogen 2.711 N/A ASP 171.A N THR 168.A O no hydrogen 3.193 N/A LEU 173.A N ASP 171.A OD1 no hydrogen 2.947 N/A VAL 174.A N ASP 171.A OD1 no hydrogen 2.855 N/A HIS 178.A N PRO 175.A O no hydrogen 3.097 N/A LEU 180.A N LEU 176.A O no hydrogen 3.052 N/A TYR 181.A N SER 177.A O no hydrogen 2.878 N/A TYR 181.A N HIS 178.A O no hydrogen 3.097 N/A TYR 181.A OH PRO 154.A O no hydrogen 2.702 N/A VAL 183.A N PRO 179.A O no hydrogen 3.090 N/A GLU 184.A N LEU 180.A O no hydrogen 2.869 N/A GLU 185.A N TYR 181.A O no hydrogen 2.925 N/A LEU 186.A N ILE 182.A O no hydrogen 2.945 N/A SER 187.A N VAL 183.A O no hydrogen 3.091 N/A LYS 188.A N GLU 184.A O no hydrogen 2.881 N/A ALA 189.A N GLU 185.A O no hydrogen 3.063 N/A ASN 190.A N SER 187.A O no hydrogen 2.957 N/A ILE 191.A N LEU 186.A O no hydrogen 2.857 N/A GLU 194.A N MET 163.A O no hydrogen 3.018 N/A HIS 196.A N VAL 165.A O no hydrogen 2.788 N/A HIS 196.A NE2 GLU 194.A OE2 no hydrogen 2.692 N/A PHE 198.A N HIS 167.A O no hydrogen 2.907 N/A GLY 201.A N GLU 170.A OE1 no hydrogen 2.898 N/A HIS 203.A ND1 ASP 171.A OD2 no hydrogen 2.610 N/A HIS 203.A NE2 SER 115.A OG no hydrogen 3.027 N/A SER 206.A N TYR 139.A OH no hydrogen 2.882 N/A SER 206.A OG ARG 52.A O no hydrogen 2.774 N/A GLY 208.A N LEU 205.A O no hydrogen 2.760 N/A ILE 211.A N ASN 209.A OD1 no hydrogen 3.292 N/A VAL 212.A N ASN 209.A O no hydrogen 3.209 N/A SER 213.A N LYS 210.A O no hydrogen 3.223 N/A SER 213.A OG LYS 210.A O no hydrogen 2.813 N/A GLY 215.A N SER 213.A OG no hydrogen 3.044 N/A LEU 216.A N SER 213.A O no hydrogen 2.978 N/A MET 219.A N LEU 216.A O no hydrogen 2.962 N/A ILE 220.A N ASP 217.A O no hydrogen 3.105 N/A GLU 221.A N GLY 208.A O no hydrogen 3.005 N/A VAL 224.A N GLU 221.A O no hydrogen 3.038 N/A GLN 225.A NE2 GLY 208.A O no hydrogen 2.904 N/A TRP 227.A N VAL 224.A O no hydrogen 2.972 N/A TRP 227.A NE1 SER 206.A O no hydrogen 2.867 N/A PHE 228.A N GLN 225.A O no hydrogen 3.256 N/A LEU 230.A N VAL 226.A O no hydrogen 2.978 N/A SER 231.A N TRP 227.A O no hydrogen 2.826 N/A SER 231.A OG TYR 61.A OH no hydrogen 2.715 N/A SER 231.A OG PHE 228.A O no hydrogen 2.771 N/A CYS 232.A N PHE 228.A O no hydrogen 2.988 N/A CYS 232.A SG PHE 228.A O no hydrogen 3.554 N/A ARG 233.A N ASP 229.A O no hydrogen 3.056 N/A ARG 233.A NE.A ASP 229.A OD2.B no hydrogen 3.049 N/A ARG 233.A NH2.B ASP 236.A OD2 no hydrogen 2.957 N/A TRP 234.A N LEU 230.A O no hydrogen 3.028 N/A LEU 235.A N SER 231.A O no hydrogen 2.767 N/A ASP 236.A N CYS 232.A O no hydrogen 2.941 N/A LYS 237.A N ARG 233.A O no hydrogen 3.401 N/A VAL 238.A N TRP 234.A O no hydrogen 3.000 N/A LEU 239.A N LEU 235.A O no hydrogen 2.785 N/A ASP 240.A N LYS 237.A O no hydrogen 3.185 N/A LEU 241.A N ASP 236.A O no hydrogen 2.825 N/A