Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ekk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N ASN 67.A OD1 no hydrogen 3.125 N/A TYR 5.A OH GLU 11.A OE1 no hydrogen 2.617 N/A GLU 9.A N GLU 9.A OE1 no hydrogen 2.842 N/A TRP 10.A N ASP 8.A OD1 no hydrogen 3.041 N/A GLU 11.A N ASP 8.A O no hydrogen 2.940 N/A VAL 12.A N.A VAL 86.A O no hydrogen 2.760 N/A VAL 12.A N.B VAL 86.A O no hydrogen 2.779 N/A SER 13.A OG GLU 15.A OE1 no hydrogen 2.467 N/A ARG 14.A NH1 PRO 92.A O no hydrogen 2.763 N/A ARG 14.A NH2 LYS 89.A O no hydrogen 2.934 N/A ARG 14.A NH2 PRO 92.A O no hydrogen 2.737 N/A GLU 15.A N GLU 15.A OE1 no hydrogen 3.066 N/A LYS 16.A N SER 13.A O no hydrogen 2.968 N/A ILE 17.A N ARG 14.A O no hydrogen 2.921 N/A THR 18.A N ASN 35.A O no hydrogen 2.980 N/A LEU 20.A N GLU 33.A O no hydrogen 2.803 N/A ARG 21.A N GLU 33.A O no hydrogen 3.472 N/A LEU 23.A N VAL 31.A O no hydrogen 2.738 N/A GLY 24.A N VAL 31.A O no hydrogen 3.342 N/A GLY 26.A N GLY 29.A O no hydrogen 2.671 N/A VAL 31.A N GLY 24.A O no hydrogen 2.780 N/A TYR 32.A N VAL 50.A O no hydrogen 2.809 N/A GLU 33.A N ARG 21.A O no hydrogen 2.840 N/A GLY 34.A N VAL 48.A O no hydrogen 2.784 N/A ASN 35.A N THR 18.A O no hydrogen 2.836 N/A ALA 36.A N THR 46.A O no hydrogen 2.747 N/A ARG 37.A N LYS 16.A O no hydrogen 3.029 N/A ASP 38.A N ALA 44.A O no hydrogen 2.938 N/A GLU 43.A N ILE 40.A O no hydrogen 3.076 N/A THR 46.A N ALA 36.A O no hydrogen 2.769 N/A THR 46.A OG1 GLU 43.A OE1 no hydrogen 3.023 N/A ARG 47.A NH2 GLU 33.A OE2 no hydrogen 2.829 N/A VAL 48.A N GLY 34.A O no hydrogen 3.074 N/A ALA 49.A N MET 97.A O no hydrogen 2.912 N/A VAL 50.A N TYR 32.A O no hydrogen 2.806 N/A LYS 51.A N.A VAL 95.A O no hydrogen 2.826 N/A LYS 51.A N.B VAL 95.A O no hydrogen 2.822 N/A LYS 51.A NZ.B ASP 171.A OD1 no hydrogen 3.195 N/A LYS 51.A NZ.B ASP 171.A OD2 no hydrogen 2.685 N/A THR 52.A N MET 30.A O no hydrogen 3.150 N/A THR 52.A OG1 MET 30.A O no hydrogen 2.978 N/A ASN 54.A N PHE 28.A O no hydrogen 2.824 N/A SER 56.A OG ASN 54.A OD1 no hydrogen 2.724 N/A ALA 57.A N ASN 54.A O no hydrogen 2.997 N/A SER 58.A N GLU 61.A OE1 no hydrogen 2.870 N/A SER 58.A OG GLU 61.A OE1 no hydrogen 3.145 N/A ARG 60.A NE GLU 64.A OE2 no hydrogen 2.951 N/A GLU 61.A N SER 58.A OG no hydrogen 3.179 N/A ARG 62.A N SER 58.A O no hydrogen 3.154 N/A ILE 63.A N LEU 59.A O no hydrogen 2.984 N/A GLU 64.A N ARG 60.A O no hydrogen 2.840 N/A PHE 65.A N GLU 61.A O no hydrogen 2.870 N/A LEU 66.A N.A ARG 62.A O no hydrogen 3.159 N/A LEU 66.A N.B ARG 62.A O no hydrogen 3.153 N/A ASN 67.A N ILE 63.A O no hydrogen 2.925 N/A ASN 67.A ND2 SER 2.A O no hydrogen 3.304 N/A GLU 68.A N GLU 64.A O no hydrogen 3.068 N/A ALA 69.A N PHE 65.A O no hydrogen 3.417 N/A SER 70.A N LEU 66.A O.A no hydrogen 3.129 N/A SER 70.A N LEU 66.A O.B no hydrogen 3.091 N/A VAL 71.A N ASN 67.A O no hydrogen 3.153 N/A MET 72.A N GLU 68.A O no hydrogen 3.119 N/A LYS 73.A N SER 70.A O no hydrogen 3.371 N/A LYS 73.A NZ VAL 6.A O no hydrogen 3.200 N/A LYS 73.A NZ ASP 8.A OD1 no hydrogen 2.988 N/A LYS 73.A NZ ASP 8.A OD2 no hydrogen 3.157 N/A GLY 74.A N VAL 71.A O no hydrogen 3.142 N/A PHE 75.A N MET 72.A O no hydrogen 3.125 N/A THR 76.A N TYR 143.A OH no hydrogen 2.919 N/A HIS 79.A ND1 ASP 139.A OD2 no hydrogen 2.662 N/A VAL 80.A N CYS 77.A O no hydrogen 3.306 N/A VAL 81.A N ILE 169.A O no hydrogen 2.871 N/A ARG 82.A N GLU 98.A OE2 no hydrogen 2.787 N/A LEU 84.A N VAL 96.A O no hydrogen 2.743 N/A GLY 85.A N VAL 96.A O no hydrogen 3.204 N/A VAL 86.A N TRP 10.A O no hydrogen 2.957 N/A VAL 87.A N LEU 94.A O no hydrogen 2.802 N/A SER 88.A N GLU 11.A OE2 no hydrogen 2.914 N/A SER 88.A OG GLU 11.A OE1 no hydrogen 2.662 N/A SER 88.A OG GLU 11.A OE2 no hydrogen 3.309 N/A LEU 94.A N VAL 87.A O no hydrogen 2.924 N/A VAL 95.A N LYS 51.A O.A no hydrogen 2.986 N/A VAL 95.A N LYS 51.A O.B no hydrogen 2.964 N/A VAL 96.A N GLY 85.A O no hydrogen 2.862 N/A MET 97.A N ALA 49.A O no hydrogen 2.771 N/A GLU 98.A N ARG 82.A O no hydrogen 2.968 N/A HIS 102.A N VAL 161.A O no hydrogen 2.934 N/A GLY 103.A N MET 100.A O no hydrogen 3.048 N/A LEU 105.A N CYS 159.A O no hydrogen 2.788 N/A SER 107.A N.A ASP 104.A OD2 no hydrogen 3.018 N/A SER 107.A N.B ASP 104.A OD2 no hydrogen 3.023 N/A SER 107.A OG.A ASP 104.A OD1 no hydrogen 2.853 N/A SER 107.A OG.A ASP 104.A OD2 no hydrogen 3.287 N/A SER 107.A OG.B ASP 104.A O no hydrogen 3.055 N/A SER 107.A OG.B ASP 104.A OD1 no hydrogen 2.576 N/A TYR 108.A N ASP 104.A O no hydrogen 3.120 N/A LEU 109.A N LEU 105.A O no hydrogen 2.856 N/A ARG 110.A N.A LYS 106.A O no hydrogen 3.005 N/A ARG 110.A N.B LYS 106.A O no hydrogen 2.988 N/A ARG 110.A NE.A ALA 209.A O no hydrogen 2.809 N/A ARG 110.A NE.B ALA 209.A O no hydrogen 3.105 N/A ARG 110.A NH2.A ALA 209.A O no hydrogen 3.145 N/A ARG 110.A NH2.B ALA 209.A O no hydrogen 3.202 N/A SER 111.A N SER 107.A O.A no hydrogen 3.009 N/A SER 111.A N SER 107.A O.B no hydrogen 3.078 N/A SER 111.A N TYR 108.A O no hydrogen 3.119 N/A SER 111.A OG TYR 108.A O no hydrogen 2.602 N/A LEU 112.A N LEU 109.A O no hydrogen 3.003 N/A ARG 113.A N ARG 110.A O.B no hydrogen 3.391 N/A ARG 113.A NE LEU 208.A O no hydrogen 2.902 N/A ARG 113.A NH1 SER 207.A O no hydrogen 2.933 N/A ARG 113.A NH1 LEU 208.A O no hydrogen 3.529 N/A ARG 113.A NH2 GLU 115.A OE2 no hydrogen 2.999 N/A GLU 115.A N GLU 115.A OE1 no hydrogen 2.652 N/A ALA 116.A N ARG 113.A O no hydrogen 3.152 N/A ASN 119.A ND2 ARG 113.A O no hydrogen 2.810 N/A GLY 121.A N ASN 119.A OD1 no hydrogen 2.942 N/A THR 126.A N GLU 129.A OE1 no hydrogen 3.050 N/A GLU 129.A N THR 126.A OG1 no hydrogen 3.038 N/A MET 130.A N THR 126.A O no hydrogen 2.923 N/A ILE 131.A N LEU 127.A O no hydrogen 2.917 N/A GLN 132.A N GLN 128.A O no hydrogen 2.952 N/A GLN 132.A NE2 GLU 136.A OE2 no hydrogen 2.768 N/A MET 133.A N GLU 129.A O no hydrogen 2.912 N/A ALA 134.A N MET 130.A O no hydrogen 2.978 N/A ALA 135.A N ILE 131.A O no hydrogen 2.967 N/A GLU 136.A N GLN 132.A O no hydrogen 3.016 N/A ILE 137.A N MET 133.A O no hydrogen 3.006 N/A ALA 138.A N ALA 134.A O no hydrogen 2.932 N/A ASP 139.A N ALA 135.A O no hydrogen 2.848 N/A GLY 140.A N GLU 136.A O no hydrogen 3.013 N/A MET 141.A N ILE 137.A O no hydrogen 2.935 N/A ALA 142.A N ALA 138.A O no hydrogen 2.786 N/A TYR 143.A N ASP 139.A O no hydrogen 3.067 N/A LEU 144.A N GLY 140.A O no hydrogen 3.135 N/A ASN 145.A N MET 141.A O no hydrogen 2.885 N/A ALA 146.A N ALA 142.A O no hydrogen 3.017 N/A LYS 147.A N TYR 143.A O no hydrogen 3.052 N/A LYS 148.A N ASN 145.A O no hydrogen 2.891 N/A PHE 149.A N LEU 144.A O no hydrogen 2.840 N/A HIS 151.A N ASP 194.A OD2 no hydrogen 2.747 N/A ARG 152.A N ASP 194.A OD1 no hydrogen 2.958 N/A ASN 153.A N.A HIS 151.A ND1 no hydrogen 3.159 N/A ASN 153.A N.B HIS 151.A ND1 no hydrogen 3.169 N/A ALA 156.A N GLU 204.A OE1 no hydrogen 3.007 N/A ARG 157.A NH2 ASN 153.A OD1.B no hydrogen 3.292 N/A ASN 158.A N ALA 155.A O no hydrogen 2.911 N/A ASN 158.A ND2 ASN 153.A O.A no hydrogen 2.649 N/A ASN 158.A ND2 ASN 153.A O.B no hydrogen 2.617 N/A CYS 159.A N ALA 156.A O no hydrogen 3.036 N/A CYS 159.A SG ALA 155.A O no hydrogen 3.601 N/A MET 160.A N LYS 168.A O no hydrogen 2.827 N/A VAL 161.A N GLY 103.A O no hydrogen 2.740 N/A ALA 162.A N THR 166.A O no hydrogen 2.921 N/A PHE 165.A N ALA 162.A O no hydrogen 2.967 N/A THR 166.A N ASP 164.A OD1 no hydrogen 3.029 N/A THR 166.A OG1 ASP 164.A OD1 no hydrogen 2.675 N/A THR 166.A OG1 ASP 164.A OD2 no hydrogen 3.290 N/A VAL 167.A N GLU 136.A OE1 no hydrogen 2.920 N/A LYS 168.A N MET 160.A O no hydrogen 2.902 N/A LYS 168.A NZ HIS 78.A O no hydrogen 3.062 N/A LYS 168.A NZ GLU 98.A OE1 no hydrogen 2.898 N/A LYS 168.A NZ GLU 98.A OE2 no hydrogen 3.483 N/A ILE 169.A N HIS 79.A O no hydrogen 2.930 N/A GLY 170.A N ASN 158.A O no hydrogen 2.917 N/A ARG 177.A NE ASN 218.A OD1 no hydrogen 2.988 N/A ARG 177.A NH1 PRO 212.A O no hydrogen 2.944 N/A ARG 177.A NH1 TYR 213.A O no hydrogen 2.918 N/A ARG 177.A NH1 LEU 216.A O no hydrogen 3.257 N/A ARG 177.A NH2 LEU 216.A O no hydrogen 2.839 N/A ARG 177.A NH2 ASN 218.A OD1 no hydrogen 2.737 N/A TRP 178.A N PRO 175.A O no hydrogen 2.981 N/A TRP 178.A NE1 GLU 204.A OE1 no hydrogen 2.885 N/A MET 179.A N VAL 176.A O no hydrogen 3.282 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.798 N/A SER 183.A N ALA 180.A O no hydrogen 3.113 N/A SER 183.A OG VAL 188.A O no hydrogen 2.679 N/A LEU 184.A N ALA 180.A O no hydrogen 3.066 N/A LYS 185.A N PRO 181.A O no hydrogen 2.916 N/A ASP 186.A N GLU 182.A O no hydrogen 3.044 N/A GLY 187.A N SER 183.A O no hydrogen 2.734 N/A THR 190.A N SER 193.A OG no hydrogen 2.787 N/A SER 193.A N THR 190.A OG1 no hydrogen 3.279 N/A SER 193.A OG THR 190.A O no hydrogen 2.828 N/A ASP 194.A N THR 190.A O no hydrogen 3.023 N/A MET 195.A N THR 191.A O no hydrogen 2.967 N/A TRP 196.A N SER 192.A O no hydrogen 3.322 N/A SER 197.A N SER 193.A O no hydrogen 3.108 N/A SER 197.A OG TRP 178.A O no hydrogen 2.745 N/A SER 197.A OG SER 193.A O no hydrogen 3.352 N/A PHE 198.A N ASP 194.A O no hydrogen 2.895 N/A GLY 199.A N MET 195.A O no hydrogen 3.102 N/A VAL 200.A N TRP 196.A O no hydrogen 3.250 N/A VAL 201.A N SER 197.A O no hydrogen 2.933 N/A LEU 202.A N PHE 198.A O no hydrogen 2.947 N/A TRP 203.A N GLY 199.A O no hydrogen 2.948 N/A TRP 203.A NE1 ASP 232.A O no hydrogen 2.796 N/A GLU 204.A N VAL 200.A O no hydrogen 2.778 N/A ILE 205.A N VAL 201.A O no hydrogen 2.857 N/A THR 206.A N LEU 202.A O no hydrogen 3.012 N/A THR 206.A OG1 LEU 202.A O no hydrogen 2.960 N/A THR 206.A OG1 TRP 203.A O no hydrogen 3.449 N/A SER 207.A OG TRP 203.A O no hydrogen 2.816 N/A SER 207.A OG GLU 204.A O no hydrogen 3.468 N/A LEU 208.A N ILE 205.A O no hydrogen 3.376 N/A ALA 209.A N GLU 204.A O no hydrogen 2.614 N/A GLU 210.A N SER 207.A OG no hydrogen 3.242 N/A LEU 216.A N TYR 213.A O no hydrogen 3.046 N/A SER 217.A N GLN 220.A OE1 no hydrogen 3.062 N/A GLN 220.A N SER 217.A OG no hydrogen 3.236 N/A VAL 221.A N SER 217.A O no hydrogen 2.929 N/A LEU 222.A N ASN 218.A O no hydrogen 3.009 N/A LYS 223.A N GLU 219.A O.A no hydrogen 3.374 N/A LYS 223.A N GLU 219.A O.B no hydrogen 3.358 N/A PHE 224.A N GLN 220.A O no hydrogen 3.007 N/A VAL 225.A N VAL 221.A O no hydrogen 2.968 N/A MET 226.A N LEU 222.A O no hydrogen 3.138 N/A ASP 227.A N LYS 223.A O no hydrogen 2.939 N/A GLY 228.A N VAL 225.A O no hydrogen 3.060 N/A GLY 229.A N PHE 224.A O no hydrogen 2.780 N/A CYS 237.A N PRO 234.A O no hydrogen 3.232 N/A CYS 237.A SG GLN 233.A OE1 no hydrogen 3.656 N/A CYS 237.A SG PRO 238.A O no hydrogen 3.717 N/A CYS 237.A SG THR 242.A OG1 no hydrogen 3.280 N/A ARG 240.A NH2 LEU 265.A O no hydrogen 3.456 N/A VAL 241.A N PRO 238.A O no hydrogen 3.136 N/A THR 242.A N PRO 238.A O no hydrogen 3.142 N/A THR 242.A OG1 GLN 233.A OE1 no hydrogen 2.684 N/A THR 242.A OG1 PRO 238.A O no hydrogen 3.494 N/A ASP 243.A N GLU 239.A O no hydrogen 2.956 N/A LEU 244.A N ARG 240.A O no hydrogen 3.344 N/A MET 245.A N VAL 241.A O no hydrogen 2.996 N/A ARG 246.A N THR 242.A O no hydrogen 3.006 N/A MET 247.A N ASP 243.A O no hydrogen 3.323 N/A CYS 248.A N LEU 244.A O no hydrogen 3.065 N/A CYS 248.A SG MET 195.A O no hydrogen 3.582 N/A CYS 248.A SG LEU 244.A O no hydrogen 3.256 N/A TRP 249.A N MET 245.A O no hydrogen 3.022 N/A TRP 249.A N ARG 246.A O no hydrogen 3.349 N/A GLN 250.A N MET 247.A O no hydrogen 3.446 N/A GLN 250.A NE2 ARG 246.A O no hydrogen 3.500 N/A ASN 254.A N ASN 252.A OD1 no hydrogen 3.047 N/A MET 255.A N ASN 252.A O no hydrogen 2.905 N/A ARG 256.A N PRO 253.A O no hydrogen 3.169 N/A ARG 256.A NE GLN 250.A O no hydrogen 2.776 N/A ARG 256.A NH1 GLU 182.A OE2 no hydrogen 2.766 N/A ARG 256.A NH1 SER 192.A O no hydrogen 2.982 N/A ARG 256.A NH2 GLU 182.A OE1 no hydrogen 2.886 N/A ARG 256.A NH2 GLU 182.A OE2 no hydrogen 3.529 N/A ARG 256.A NH2 GLN 250.A O no hydrogen 3.105 N/A THR 258.A N GLU 261.A OE1 no hydrogen 2.935 N/A GLU 261.A N THR 258.A OG1 no hydrogen 3.199 N/A ILE 262.A N THR 258.A O no hydrogen 3.096 N/A VAL 263.A N PHE 259.A O no hydrogen 3.104 N/A ASN 264.A N LEU 260.A O no hydrogen 3.020 N/A LEU 265.A N GLU 261.A O no hydrogen 3.050 N/A LEU 266.A N ILE 262.A O no hydrogen 3.260 N/A LEU 266.A N VAL 263.A O no hydrogen 2.995 N/A LYS 267.A NZ ASN 264.A O no hydrogen 3.228 N/A LYS 267.A NZ ASN 264.A OD1 no hydrogen 2.758 N/A ASP 269.A N LEU 266.A O no hydrogen 3.429 N/A HIS 271.A N GLN 132.A OE1 no hydrogen 2.958 N/A HIS 271.A ND1 SER 273.A OG no hydrogen 2.922 N/A SER 273.A N HIS 271.A ND1 no hydrogen 3.245 N/A SER 273.A OG HIS 271.A ND1 no hydrogen 2.922 N/A PHE 274.A N HIS 271.A O no hydrogen 2.900 N/A GLU 276.A N.A SER 273.A O no hydrogen 2.928 N/A GLU 276.A N.B SER 273.A O no hydrogen 2.921 N/A VAL 277.A N SER 273.A O no hydrogen 3.193 N/A VAL 277.A N PHE 274.A O no hydrogen 3.105 N/A SER 278.A N PHE 274.A O no hydrogen 2.835 N/A SER 278.A OG PHE 274.A O no hydrogen 3.299 N/A SER 278.A OG HIS 281.A ND1 no hydrogen 2.830 N/A PHE 279.A N ASP 139.A OD2 no hydrogen 2.851 N/A PHE 280.A N ASP 139.A OD1 no hydrogen 2.780 N/A HIS 281.A N SER 278.A OG no hydrogen 3.052 N/A HIS 281.A ND1 SER 278.A OG no hydrogen 2.830 N/A SER 282.A N PHE 279.A O no hydrogen 3.010 N/A SER 282.A OG PHE 279.A O no hydrogen 2.697 N/A ASN 285.A N SER 282.A O no hydrogen 3.063 N/A ASN 285.A ND2 PHE 280.A O no hydrogen 2.850 N/A