Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kel_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N LEU 125.A O no hydrogen 2.848 N/A ILE 1.A N ASP 176.A OD2 no hydrogen 2.739 N/A ILE 2.A N ASP 171.A O no hydrogen 2.787 N/A ASN 3.A ND2 GLN 169.A O no hydrogen 2.929 N/A ASN 3.A ND2 ASP 168B.A O no hydrogen 3.621 N/A GLU 5.A N CYS 137.A O no hydrogen 3.059 N/A CYS 7.A N LEU 135.A O no hydrogen 2.883 N/A CYS 7.A SG LEU 135.A O no hydrogen 3.563 N/A SER 11.A N SER 8.A O.A no hydrogen 3.070 N/A SER 11.A N SER 8.A O.B no hydrogen 3.061 N/A SER 11.A OG SER 8.A O.A no hydrogen 2.725 N/A SER 11.A OG SER 8.A O.B no hydrogen 2.728 N/A GLN 12.A NE2 SER 11.A OG no hydrogen 2.937 N/A GLN 15.A N GLN 12.A O no hydrogen 2.961 N/A GLN 15.A NE2 SER 27.A OG no hydrogen 2.999 N/A GLN 15.A NE2 SER 121.A O no hydrogen 3.562 N/A ALA 16.A N GLY 28.A O no hydrogen 2.918 N/A ALA 17.A N GLY 50.A O no hydrogen 2.899 N/A LEU 18.A N CYS 26.A O no hydrogen 2.908 N/A VAL 19.A N THR 48.A O no hydrogen 3.000 N/A MET 20.A N.A GLU 23.A O no hydrogen 2.974 N/A MET 20.A N.B GLU 23.A O no hydrogen 2.975 N/A GLU 23.A N MET 20.A O.A no hydrogen 2.970 N/A GLU 23.A N MET 20.A O.B no hydrogen 3.103 N/A PHE 25.A N LEU 18.A O no hydrogen 3.026 N/A CYS 26.A SG PHE 25.A O no hydrogen 3.015 N/A CYS 26.A SG SER 177.A OG.B no hydrogen 2.839 N/A SER 27.A N SER 177.A O.A no hydrogen 2.826 N/A SER 27.A N SER 177.A O.B no hydrogen 2.868 N/A SER 27.A OG ALA 16.A O no hydrogen 3.160 N/A GLY 28.A N ALA 16.A O no hydrogen 2.861 N/A VAL 29.A N LEU 37.A O no hydrogen 2.813 N/A LEU 30.A N TRP 14.A O no hydrogen 2.809 N/A VAL 31.A N TRP 35.A O no hydrogen 2.956 N/A HIS 32.A N TRP 35.A O no hydrogen 3.368 N/A HIS 32.A NE2 GLU 218.A OE1 no hydrogen 3.171 N/A HIS 32.A NE2 GLU 218.A OE2 no hydrogen 2.873 N/A GLN 34.A NE2 LEU 92.A O no hydrogen 2.843 N/A TRP 35.A N HIS 32.A O no hydrogen 3.082 N/A VAL 36.A N ILE 90.A O no hydrogen 2.904 N/A LEU 37.A N VAL 29.A O no hydrogen 2.820 N/A SER 38.A N MET 88.A O no hydrogen 3.077 N/A SER 38.A OG SER 27.A O no hydrogen 2.752 N/A HIS 41.A N ASP 86.A OD1 no hydrogen 3.120 N/A HIS 41.A ND1 ASP 86.A OD2 no hydrogen 2.801 N/A HIS 41.A NE2 SER 177.A OG.A no hydrogen 2.752 N/A CYS 42.A N ALA 39.A O no hydrogen 2.977 N/A CYS 42.A SG SER 177.A O.B no hydrogen 3.979 N/A CYS 42.A SG SER 177.A OG.B no hydrogen 3.236 N/A PHE 43.A N ALA 40.A O no hydrogen 3.122 N/A GLN 44.A N TYR 47.A OH no hydrogen 2.923 N/A TYR 47.A N ALA 69.A O no hydrogen 2.856 N/A TYR 47.A OH SER 72.A OG no hydrogen 2.765 N/A THR 48.A OG1 GLU 68.A OE1 no hydrogen 3.557 N/A THR 48.A OG1 GLU 68.A OE2 no hydrogen 2.685 N/A ILE 49.A N VAL 67.A O no hydrogen 2.772 N/A GLY 50.A N ALA 17.A O no hydrogen 2.843 N/A LEU 51.A N GLN 65.A O no hydrogen 2.855 N/A LEU 56.A N THR 133.A O no hydrogen 2.801 N/A GLU 57.A N SER 55.A OG no hydrogen 3.126 N/A SER 64.A N GLU 61.A O no hydrogen 3.051 N/A SER 64.A OG GLU 61.A O no hydrogen 3.002 N/A GLN 65.A N LEU 51.A O no hydrogen 2.896 N/A VAL 67.A N ILE 49.A O no hydrogen 2.816 N/A ALA 69.A N TYR 47.A O no hydrogen 2.970 N/A SER 70.A N ASP 93.A OD1 no hydrogen 2.852 N/A SER 70.A OG ASP 93.A OD1 no hydrogen 3.408 N/A SER 70.A OG ASP 93.A OD2 no hydrogen 2.640 N/A SER 72.A OG TYR 47.A OH no hydrogen 2.765 N/A VAL 73.A N LEU 89.A O no hydrogen 2.841 N/A ARG 74.A NE.B ALA 40.A O no hydrogen 2.999 N/A ARG 74.A NH2.B ALA 40.A O no hydrogen 3.124 N/A HIS 75.A N LEU 87.A O no hydrogen 2.946 N/A GLU 77.A N.A HIS 75.A ND1 no hydrogen 2.998 N/A GLU 77.A N.B HIS 75.A ND1 no hydrogen 3.011 N/A TYR 78.A N HIS 75.A O no hydrogen 3.059 N/A ASN 79.A N ALA 84.A O no hydrogen 2.891 N/A ARG 80.A N GLU 77.A O.A no hydrogen 2.999 N/A ARG 80.A N GLU 77.A O.B no hydrogen 3.187 N/A ARG 80.A NH1 PRO 76.A O no hydrogen 2.920 N/A LEU 83.A N ASN 79.A OD1 no hydrogen 2.734 N/A ALA 84.A N PRO 81.A O no hydrogen 2.986 N/A ASN 85.A N SER 159.A OG no hydrogen 2.923 N/A ASN 85.A ND2 GLU 77.A O.A no hydrogen 3.014 N/A ASN 85.A ND2 GLU 77.A O.B no hydrogen 2.775 N/A LEU 87.A N ASN 85.A O no hydrogen 3.034 N/A MET 88.A N SER 38.A O no hydrogen 2.875 N/A LEU 89.A N VAL 73.A O no hydrogen 2.947 N/A ILE 90.A N VAL 36.A O no hydrogen 2.775 N/A LYS 91.A N LEU 71.A O no hydrogen 2.934 N/A LEU 92.A N GLN 34.A O no hydrogen 2.863 N/A ASP 93.A N GLU 68.A O no hydrogen 2.921 N/A SER 95.A OG.B GLN 34.A OE1 no hydrogen 3.004 N/A VAL 96.A N PRO 33.A O no hydrogen 2.920 N/A SER 99.A N ILE 102.A O no hydrogen 2.911 N/A THR 101.A N SER 99.A OG no hydrogen 3.249 N/A ILE 102.A N SER 99.A OG no hydrogen 3.142 N/A ARG 103.A N.A PRO 13.A O no hydrogen 3.137 N/A ARG 103.A N.B PRO 13.A O no hydrogen 3.140 N/A ARG 103.A NH2.B ASP 100.A O no hydrogen 2.871 N/A SER 104.A N.A GLU 98.A OE1 no hydrogen 3.130 N/A SER 104.A N.B GLU 98.A OE1 no hydrogen 3.098 N/A SER 104.A OG.A GLU 98.A OE2 no hydrogen 2.810 N/A SER 104.A OG.B GLU 98.A OE2 no hydrogen 2.639 N/A ILE 105.A N LEU 30.A O no hydrogen 3.126 N/A ALA 108.A N LEU 187.A O no hydrogen 2.884 N/A THR 113.A N ASN 116.A OD1 no hydrogen 3.015 N/A GLY 115.A N VAL 142.A O no hydrogen 2.895 N/A ASN 116.A N THR 113.A O no hydrogen 3.055 N/A CYS 118.A N VAL 140.A O no hydrogen 2.879 N/A CYS 118.A SG ASN 116.A O no hydrogen 3.737 N/A LEU 119.A N.A ILE 182.A O no hydrogen 2.845 N/A LEU 119.A N.B ILE 182.A O no hydrogen 2.860 N/A VAL 120.A N VAL 138.A O no hydrogen 2.951 N/A SER 121.A OG GLN 15.A OE1 no hydrogen 2.657 N/A GLY 122.A N GLN 136.A O no hydrogen 2.975 N/A TRP 123.A NE1 HIS 54.A O no hydrogen 3.177 N/A GLY 124.A N ASP 176.A OD1 no hydrogen 2.792 N/A LEU 125.A N ASN 174.A O no hydrogen 2.909 N/A LEU 126.A N ARG 130.A O no hydrogen 2.913 N/A GLY 129.A N LEU 126.A O no hydrogen 3.027 N/A ARG 130.A N ASN 128.A OD1 no hydrogen 2.968 N/A LEU 135.A N HIS 54.A O no hydrogen 2.964 N/A GLN 136.A N GLY 122.A O no hydrogen 3.007 N/A GLN 136.A NE2 ASP 6.A OD1 no hydrogen 2.899 N/A GLN 136.A NE2 VAL 134.A O no hydrogen 2.988 N/A CYS 137.A N GLU 5.A O no hydrogen 2.845 N/A VAL 138.A N VAL 120.A O no hydrogen 2.972 N/A VAL 140.A N CYS 118.A O no hydrogen 3.160 N/A VAL 142.A N ASN 116.A O no hydrogen 2.959 N/A VAL 143.A N CYS 162.A O no hydrogen 3.102 N/A VAL 147.A N SER 144.A OG no hydrogen 3.122 N/A CYS 148.A N SER 144.A O no hydrogen 3.043 N/A SER 149.A N.A GLU 145.A O no hydrogen 2.829 N/A SER 149.A N.B GLU 145.A O no hydrogen 2.782 N/A SER 149.A OG.A GLU 145.A O no hydrogen 3.348 N/A SER 149.A OG.A GLU 146.A O no hydrogen 3.254 N/A LYS 150.A N GLU 146.A O no hydrogen 3.060 N/A LEU 151.A N.A VAL 147.A O no hydrogen 2.942 N/A LEU 151.A N.B VAL 147.A O no hydrogen 2.937 N/A TYR 152.A N CYS 148.A O no hydrogen 2.940 N/A TYR 152.A OH PRO 204.A O no hydrogen 2.651 N/A LEU 155.A N TYR 152.A O no hydrogen 2.765 N/A TYR 156.A OH MET 160.A O no hydrogen 2.783 N/A HIS 157.A ND1 SER 159.A OG no hydrogen 2.783 N/A SER 159.A N HIS 157.A ND1 no hydrogen 3.148 N/A SER 159.A OG HIS 157.A ND1 no hydrogen 2.783 N/A MET 160.A N HIS 157.A O no hydrogen 2.825 N/A PHE 161.A N TYR 207.A O no hydrogen 2.911 N/A ALA 163.A N GLY 205.A O no hydrogen 3.064 N/A GLY 164.A N SER 141.A O no hydrogen 2.846 N/A GLN 169.A N GLY 166.A O no hydrogen 3.156 N/A GLN 169.A NE2 GLY 199A.A O no hydrogen 2.828 N/A LYS 170.A N ASP 168B.A OD1 no hydrogen 3.216 N/A LYS 170.A NZ ASN 139.A OD1 no hydrogen 2.863 N/A ASP 171.A N ILE 2.A O no hydrogen 3.338 N/A SER 172.A N ASP 171.A OD1 no hydrogen 2.842 N/A CYS 173.A N ASP 176.A OD2 no hydrogen 2.846 N/A ASP 176.A N CYS 173.A O no hydrogen 2.920 N/A SER 177.A OG.A HIS 41.A NE2 no hydrogen 2.752 N/A SER 177.A OG.A SER 192.A O no hydrogen 3.397 N/A GLY 178.A N VAL 191.A O no hydrogen 2.867 N/A GLY 179.A N ASP 176.A O no hydrogen 3.078 N/A LEU 181.A N GLY 189.A O no hydrogen 2.928 N/A ILE 182.A N LEU 119.A O.A no hydrogen 2.814 N/A ILE 182.A N LEU 119.A O.B no hydrogen 2.859 N/A CYS 183.A N TYR 186.A O no hydrogen 2.877 N/A ASN 184.A N SER 117.A O no hydrogen 3.210 N/A TYR 186.A N CYS 183.A O no hydrogen 3.068 N/A LEU 187.A N SER 106.A O.A no hydrogen 3.042 N/A LEU 187.A N SER 106.A O.B no hydrogen 2.982 N/A GLN 188.A N LEU 181.A O no hydrogen 2.867 N/A GLN 188.A NE2 GLN 110.A O no hydrogen 2.870 N/A GLY 189.A N LEU 181.A O no hydrogen 3.163 N/A VAL 191.A N GLY 179.A O no hydrogen 2.905 N/A SER 192.A N VAL 206.A O no hydrogen 3.020 N/A SER 192.A OG ASP 86.A OD2 no hydrogen 2.739 N/A PHE 193.A N VAL 206.A O no hydrogen 3.191 N/A LYS 195.A N TYR 152.A OH no hydrogen 3.187 N/A LYS 195.A NZ LEU 151.A O.A no hydrogen 2.829 N/A LYS 195.A NZ LEU 151.A O.B no hydrogen 2.936 N/A GLY 202.A N GLY 165.A O no hydrogen 2.828 N/A VAL 203.A N GLN 200.A O no hydrogen 3.201 N/A GLY 205.A N ALA 163.A O no hydrogen 2.972 N/A VAL 206.A N PHE 193.A O no hydrogen 2.806 N/A TYR 207.A N PHE 161.A O no hydrogen 2.795 N/A THR 208.A N LEU 190.A O no hydrogen 2.836 N/A THR 208.A OG1 ASP 86.A O no hydrogen 2.806 N/A ASN 209.A N SER 159.A O no hydrogen 2.783 N/A ASN 209.A ND2 PRO 158.A O no hydrogen 3.059 N/A LEU 210.A N GLN 188.A O no hydrogen 3.345 N/A CYS 211.A SG ASN 209.A OD1 no hydrogen 3.374 N/A LYS 212.A N.A ASN 209.A O no hydrogen 3.034 N/A LYS 212.A N.B ASN 209.A O no hydrogen 3.039 N/A LYS 212.A NZ.B PRO 158.A O no hydrogen 3.179 N/A PHE 213.A N LEU 210.A O no hydrogen 2.883 N/A THR 214.A OG1.A GLU 215.A OE1.A no hydrogen 3.419 N/A THR 214.A OG1.A GLU 215.A OE2.A no hydrogen 2.970 N/A THR 214.A OG1.B LEU 210.A O no hydrogen 3.555 N/A ILE 217.A N PHE 213.A O no hydrogen 2.863 N/A GLU 218.A N THR 214.A O.A no hydrogen 3.083 N/A GLU 218.A N THR 214.A O.B no hydrogen 2.889 N/A LYS 219.A N GLU 215.A O.A no hydrogen 2.900 N/A LYS 219.A N GLU 215.A O.B no hydrogen 2.886 N/A THR 220.A N TRP 216.A O no hydrogen 3.005 N/A THR 220.A OG1 TRP 216.A O no hydrogen 2.818 N/A VAL 221.A N ILE 217.A O no hydrogen 2.933 N/A GLN 222.A N GLU 218.A O no hydrogen 2.962 N/A ALA 223.A N THR 220.A O no hydrogen 3.278 N/A ALA 58A.A N SER 55.A OG no hydrogen 3.116 N/A GLY 199A.A N ASP 171.A OD2 no hydrogen 2.897 N/A