Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ki3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N ASP 1.A O no hydrogen 3.027 N/A LEU 6.A N ALA 2.A O no hydrogen 2.850 N/A GLN 7.A N SER 3.A O no hydrogen 2.970 N/A GLN 7.A NE2 SER 3.A O no hydrogen 3.563 N/A GLN 7.A NE2 SER 3.A OG no hydrogen 3.121 N/A ASN 8.A N THR 4.A O no hydrogen 2.925 N/A ARG 9.A N ASP 5.A O no hydrogen 3.025 N/A ARG 9.A NH1 ASP 111.A OD1 no hydrogen 2.864 N/A ARG 9.A NH1 VAL 127.A O no hydrogen 2.815 N/A LEU 10.A N LEU 6.A O no hydrogen 2.996 N/A SER 11.A N GLN 7.A O no hydrogen 2.879 N/A SER 11.A OG GLN 7.A O no hydrogen 3.145 N/A LYS 12.A N ARG 9.A O no hydrogen 3.213 N/A LYS 12.A NZ PRO 129.A O no hydrogen 2.830 N/A ASN 14.A ND2 SER 11.A O no hydrogen 2.899 N/A SER 15.A OG SER 156.A O no hydrogen 2.320 N/A PHE 16.A N VAL 41.A O no hydrogen 2.933 N/A HIS 17.A N.A GLN 154.A O no hydrogen 2.937 N/A HIS 17.A N.B GLN 154.A O no hydrogen 3.001 N/A HIS 17.A NE2.A GLU 38.A OE1 no hydrogen 2.797 N/A ALA 18.A N LEU 39.A O no hydrogen 2.991 N/A SER 19.A N LYS 151.A O no hydrogen 2.979 N/A SER 19.A OG LYS 151.A O no hydrogen 3.106 N/A SER 19.A OG SER 152.A OG no hydrogen 3.097 N/A PHE 20.A N GLY 37.A O no hydrogen 2.867 N/A SER 21.A N THR 149.A O.A no hydrogen 3.004 N/A SER 21.A N THR 149.A O.B no hydrogen 3.021 N/A GLN 22.A N GLY 35.A O no hydrogen 2.808 N/A GLN 22.A NE2 SER 146.A OG.B no hydrogen 3.318 N/A ALA 23.A N ALA 147.A O no hydrogen 2.931 N/A VAL 24.A N GLN 33.A O no hydrogen 2.810 N/A THR 25.A N.A ARG 145.A O no hydrogen 2.758 N/A THR 25.A N.B ARG 145.A O no hydrogen 2.775 N/A THR 25.A OG1.B SER 26.A O no hydrogen 3.278 N/A THR 25.A OG1.B ALA 30.A O no hydrogen 3.451 N/A SER 26.A N ALA 30.A O no hydrogen 2.904 N/A SER 26.A OG ASP 28.A OD1 no hydrogen 2.480 N/A SER 26.A OG ALA 30.A O no hydrogen 2.970 N/A GLY 29.A N SER 26.A O no hydrogen 2.900 N/A ALA 30.A N ASP 28.A OD1 no hydrogen 2.894 N/A VAL 32.A N VAL 24.A O no hydrogen 2.845 N/A GLN 33.A N VAL 24.A O no hydrogen 3.446 N/A GLU 34.A N GLN 33.A OE1 no hydrogen 2.951 N/A GLY 35.A N GLN 22.A O no hydrogen 2.925 N/A GLU 36.A N SER 53.A O.A no hydrogen 2.914 N/A GLU 36.A N SER 53.A O.B no hydrogen 2.907 N/A GLY 37.A N PHE 20.A O no hydrogen 3.016 N/A GLU 38.A N HIS 50.A O no hydrogen 2.880 N/A LEU 39.A N ALA 18.A O no hydrogen 2.895 N/A TRP 40.A N ASN 48.A O no hydrogen 2.783 N/A VAL 41.A N PHE 16.A O no hydrogen 2.883 N/A LYS 42.A N LEU 46.A O no hydrogen 2.982 N/A ARG 43.A N ASN 14.A O no hydrogen 2.852 N/A ARG 43.A NE ILE 93.A O no hydrogen 2.922 N/A ARG 43.A NH1 LEU 10.A O no hydrogen 2.847 N/A ARG 43.A NH1 ASN 14.A OD1 no hydrogen 3.013 N/A ARG 43.A NH2 ILE 93.A O no hydrogen 2.796 N/A LEU 46.A N LYS 42.A O no hydrogen 3.123 N/A PHE 47.A N SER 61.A O no hydrogen 3.282 N/A ASN 48.A N TRP 40.A O no hydrogen 2.948 N/A ASN 48.A ND2 LYS 162.A O no hydrogen 2.841 N/A TRP 49.A N LEU 59.A O no hydrogen 2.821 N/A HIS 50.A N GLU 38.A O no hydrogen 2.821 N/A HIS 50.A NE2 GLU 56.A OE2 no hydrogen 2.727 N/A MET 51.A N SER 57.A O no hydrogen 2.916 N/A THR 52.A N GLU 36.A O no hydrogen 2.852 N/A THR 52.A OG1 GLU 36.A O no hydrogen 3.060 N/A SER 53.A N.A GLU 36.A O no hydrogen 3.249 N/A SER 53.A N.B GLU 36.A O no hydrogen 3.238 N/A SER 57.A N MET 51.A O no hydrogen 3.154 N/A VAL 58.A N TYR 69.A O no hydrogen 3.039 N/A LEU 59.A N TRP 49.A O no hydrogen 2.897 N/A ILE 60.A N TRP 67.A O no hydrogen 2.956 N/A SER 61.A N PHE 47.A O no hydrogen 2.854 N/A SER 61.A OG ASN 45.A O no hydrogen 2.741 N/A ASP 62.A N THR 65.A O no hydrogen 3.092 N/A GLY 63.A N SER 61.A OG no hydrogen 3.204 N/A GLU 64.A N.A ASP 62.A OD1 no hydrogen 2.946 N/A GLU 64.A N.B ASP 62.A OD1 no hydrogen 2.913 N/A THR 65.A N ASP 62.A OD1 no hydrogen 2.815 N/A LEU 66.A N THR 79.A O no hydrogen 2.888 N/A TRP 67.A N ILE 60.A O no hydrogen 2.749 N/A TRP 67.A NE1 ASP 62.A OD2 no hydrogen 2.979 N/A PHE 68.A N THR 77.A O no hydrogen 2.944 N/A TYR 69.A N VAL 58.A O no hydrogen 2.934 N/A ASN 70.A N GLN 75.A O no hydrogen 2.909 N/A VAL 73.A N ASN 70.A OD1 no hydrogen 2.892 N/A GLU 74.A N.A PRO 71.A O no hydrogen 3.159 N/A GLU 74.A N.B PRO 71.A O no hydrogen 3.146 N/A GLN 75.A N ASN 70.A O no hydrogen 3.189 N/A ALA 76.A N THR 172.A O no hydrogen 2.968 N/A THR 77.A N PHE 68.A O no hydrogen 2.802 N/A ALA 78.A N ASP 174.A O no hydrogen 3.007 N/A THR 79.A N LEU 66.A O no hydrogen 3.113 N/A TRP 80.A NE1 ARG 177.A O no hydrogen 3.023 N/A LEU 81.A N GLU 64.A O.A no hydrogen 2.797 N/A LEU 81.A N GLU 64.A O.B no hydrogen 2.867 N/A ASN 83.A N TRP 80.A O no hydrogen 3.107 N/A ALA 84.A N LEU 81.A O no hydrogen 2.825 N/A MET 91.A N THR 88.A OG1 no hydrogen 2.923 N/A LEU 92.A N THR 88.A O no hydrogen 2.978 N/A ILE 93.A N PRO 89.A O no hydrogen 2.996 N/A THR 94.A N PHE 90.A O no hydrogen 3.011 N/A THR 94.A OG1 MET 91.A O no hydrogen 2.875 N/A ARG 95.A N MET 91.A O no hydrogen 3.082 N/A ARG 95.A NE ASP 100.A OD2 no hydrogen 2.850 N/A ARG 95.A NH2 ASP 100.A OD1 no hydrogen 2.951 N/A ARG 95.A NH2 ASP 100.A OD2 no hydrogen 3.379 N/A ASN 96.A N LEU 92.A O no hydrogen 2.938 N/A ASN 96.A ND2 GLN 7.A O no hydrogen 3.595 N/A ASP 99.A N ASN 97.A OD1 no hydrogen 2.921 N/A ASP 100.A N ASN 97.A O no hydrogen 2.796 N/A TRP 101.A N ASN 97.A O no hydrogen 3.170 N/A TRP 101.A NE1 ASN 96.A OD1 no hydrogen 2.834 N/A LYS 102.A N PRO 98.A O no hydrogen 3.013 N/A LYS 102.A NZ ASP 99.A OD1 no hydrogen 3.062 N/A GLN 103.A N ASP 100.A O no hydrogen 3.024 N/A TYR 104.A N TRP 101.A O no hydrogen 3.154 N/A ASN 105.A N THR 116.A O no hydrogen 2.869 N/A LYS 107.A N GLU 114.A O no hydrogen 2.930 N/A GLN 108.A NE2 ASP 5.A OD2 no hydrogen 2.617 N/A GLN 108.A NE2 GLY 110.A O no hydrogen 2.991 N/A LYS 109.A N ASP 112.A O no hydrogen 2.932 N/A ASP 112.A N LYS 109.A O no hydrogen 3.000 N/A PHE 113.A N ILE 125.A O no hydrogen 2.877 N/A GLU 114.A N LYS 107.A O no hydrogen 2.954 N/A LEU 115.A N PHE 123.A O no hydrogen 2.758 N/A THR 116.A N ASN 105.A O no hydrogen 3.007 N/A LYS 118.A N GLN 103.A O no hydrogen 3.084 N/A LYS 118.A NZ LYS 102.A O no hydrogen 2.916 N/A LYS 121.A N VAL 139.A O no hydrogen 2.878 N/A GLN 122.A N VAL 139.A O no hydrogen 3.211 N/A PHE 123.A N LEU 115.A O no hydrogen 2.907 N/A ALA 124.A N THR 137.A O no hydrogen 2.835 N/A ILE 125.A N PHE 113.A O no hydrogen 3.042 N/A SER 126.A N SER 135.A O no hydrogen 2.880 N/A SER 126.A OG ASP 112.A OD1 no hydrogen 2.618 N/A SER 126.A OG SER 135.A OG no hydrogen 3.377 N/A VAL 127.A N ASP 111.A O no hydrogen 2.967 N/A THR 128.A N THR 132.A O no hydrogen 2.856 N/A THR 128.A OG1 SER 130.A OG.A no hydrogen 3.290 N/A SER 130.A OG.A THR 128.A OG1 no hydrogen 3.290 N/A GLY 131.A N THR 128.A O no hydrogen 2.953 N/A THR 132.A N THR 128.A OG1 no hydrogen 3.015 N/A ILE 133.A N GLN 153.A OE1 no hydrogen 2.767 N/A LYS 134.A N.A SER 126.A O no hydrogen 2.857 N/A LYS 134.A N.B SER 126.A O no hydrogen 2.855 N/A LYS 134.A NZ.A ASP 111.A OD2 no hydrogen 3.291 N/A PHE 136.A N TYR 148.A O no hydrogen 3.048 N/A THR 137.A N ALA 124.A O no hydrogen 2.852 N/A ALA 138.A N SER 146.A O.A no hydrogen 3.005 N/A ALA 138.A N SER 146.A O.B no hydrogen 2.982 N/A VAL 139.A N GLN 122.A O no hydrogen 2.840 N/A GLU 140.A N GLN 144.A O no hydrogen 2.968 N/A GLN 141.A NE2 LEU 120.A O.A no hydrogen 3.076 N/A GLN 141.A NE2 LEU 120.A O.B no hydrogen 2.962 N/A GLY 143.A N GLU 140.A O no hydrogen 2.901 N/A GLN 144.A N ASP 142.A OD1 no hydrogen 2.974 N/A ARG 145.A N THR 25.A O.A no hydrogen 2.750 N/A ARG 145.A N THR 25.A O.B no hydrogen 2.676 N/A SER 146.A N.A ALA 138.A O no hydrogen 2.875 N/A SER 146.A N.B ALA 138.A O no hydrogen 2.859 N/A ALA 147.A N ALA 23.A O no hydrogen 2.980 N/A TYR 148.A N PHE 136.A O no hydrogen 2.788 N/A THR 149.A N.A SER 21.A O no hydrogen 2.938 N/A THR 149.A N.B SER 21.A O no hydrogen 2.961 N/A LEU 150.A N LYS 134.A O.A no hydrogen 2.836 N/A LEU 150.A N LYS 134.A O.B no hydrogen 2.840 N/A LYS 151.A N SER 19.A O no hydrogen 2.733 N/A LYS 151.A NZ SER 21.A OG no hydrogen 2.925 N/A SER 152.A OG SER 19.A OG no hydrogen 3.097 N/A SER 152.A OG LYS 151.A O no hydrogen 2.545 N/A GLN 153.A NE2 GLY 131.A O no hydrogen 3.398 N/A GLN 154.A N HIS 17.A O.A no hydrogen 2.955 N/A GLN 154.A N HIS 17.A O.B no hydrogen 2.971 N/A GLN 154.A NE2 SER 152.A O no hydrogen 3.598 N/A LYS 162.A N ASP 159.A O no hydrogen 3.029 N/A PHE 163.A N ALA 160.A O no hydrogen 3.030 N/A THR 164.A OG1 SER 161.A O no hydrogen 2.944 N/A VAL 171.A N PRO 168.A O no hydrogen 3.191 N/A THR 172.A N GLU 74.A O.A no hydrogen 2.979 N/A THR 172.A N GLU 74.A O.B no hydrogen 3.014 N/A ASP 174.A N ALA 76.A O no hydrogen 2.836 N/A GLN 176.A N.A ALA 78.A O no hydrogen 2.818 N/A GLN 176.A N.B ALA 78.A O no hydrogen 2.814 N/A GLN 176.A NE2.A ASP 174.A OD1 no hydrogen 2.968 N/A GLN 176.A NE2.B ASP 174.A OD2 no hydrogen 3.241 N/A ARG 177.A N ASP 175.A OD1 no hydrogen 2.971 N/A ARG 177.A NE ASP 175.A OD1 no hydrogen 2.779 N/A ARG 177.A NH1 THR 65.A OG1 no hydrogen 2.964 N/A ARG 177.A NH2 ASP 175.A OD2 no hydrogen 2.861 N/A