Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ekj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N THR 57.A O no hydrogen 3.244 N/A VAL 4.A N LEU 55.A O no hydrogen 2.945 N/A TYR 5.A N ASN 18.A O no hydrogen 3.227 N/A ILE 6.A N HIS 53.A O no hydrogen 2.865 N/A MET 7.A N LYS 16.A O no hydrogen 2.856 N/A ASP 9.A N GLY 14.A O no hydrogen 2.644 N/A LYS 12.A N ASP 9.A OD1 no hydrogen 3.258 N/A ASN 13.A N LYS 10.A O no hydrogen 3.400 N/A GLY 14.A N ASP 9.A O no hydrogen 3.141 N/A ILE 15.A N ASN 39.A O no hydrogen 3.301 N/A LYS 16.A N MET 7.A O no hydrogen 2.819 N/A ALA 17.A N GLN 37.A O no hydrogen 2.861 N/A ASN 18.A N TYR 5.A O no hydrogen 3.185 N/A PHE 19.A N HIS 35.A O no hydrogen 3.366 N/A ILE 21.A N ALA 33.A O no hydrogen 3.068 N/A ARG 22.A N GLU 2.A OE2 no hydrogen 3.071 N/A HIS 23.A N GLN 31.A O no hydrogen 2.885 N/A ASN 24.A ND2 GLU 226.A OE2 no hydrogen 3.519 N/A ILE 25.A N GLY 29.A O no hydrogen 3.135 N/A GLU 26.A N LYS 224.A O no hydrogen 2.626 N/A GLN 31.A NE2 LEU 32.A O no hydrogen 3.267 N/A GLN 31.A NE2 LYS 185.A O no hydrogen 2.689 N/A ALA 33.A N ILE 21.A O no hydrogen 3.206 N/A TYR 34.A N PHE 183.A O no hydrogen 2.863 N/A HIS 35.A N PHE 19.A O no hydrogen 2.853 N/A HIS 35.A ND1 ALA 33.A O no hydrogen 3.135 N/A HIS 35.A NE2 THR 149.A OG1 no hydrogen 3.204 N/A TYR 36.A N THR 181.A O no hydrogen 3.163 N/A GLN 37.A N ALA 17.A O no hydrogen 2.993 N/A GLN 37.A NE2 ASN 39.A OD1 no hydrogen 3.296 N/A GLN 37.A NE2 GLN 153.A OE1 no hydrogen 2.857 N/A GLN 38.A N GLU 179.A O no hydrogen 3.000 N/A ASN 39.A N ILE 15.A O no hydrogen 2.852 N/A ASN 39.A ND2 GLN 178.A OE1 no hydrogen 2.878 N/A THR 40.A N ILE 177.A O no hydrogen 3.051 N/A ILE 42.A N GLY 175.A O no hydrogen 3.014 N/A ASP 51.A N HIS 165.A ND1 no hydrogen 3.045 N/A HIS 53.A N ILE 6.A O no hydrogen 3.414 N/A HIS 53.A ND1 ASP 51.A O no hydrogen 2.736 N/A HIS 53.A NE2 TYR 158.A OH no hydrogen 2.801 N/A TYR 54.A N ALA 81.A O no hydrogen 3.110 N/A LEU 55.A N VAL 4.A O no hydrogen 2.761 N/A SER 56.A N THR 79.A O no hydrogen 2.845 N/A THR 57.A N GLU 2.A O no hydrogen 2.992 N/A GLN 58.A N PHE 77.A O no hydrogen 2.899 N/A SER 59.A OG GLU 76.A OE2 no hydrogen 3.229 N/A SER 62.A N VAL 73.A O no hydrogen 2.702 N/A SER 62.A OG GLU 235.A OE2 no hydrogen 3.149 N/A LYS 63.A NZ HIS 71.A O no hydrogen 2.652 N/A ASP 64.A N HIS 71.A NE2 no hydrogen 2.871 N/A ASN 66.A N ASP 64.A OD1 no hydrogen 2.946 N/A GLU 67.A N ASP 64.A O no hydrogen 2.993 N/A ARG 69.A N GLU 67.A OE2 no hydrogen 3.404 N/A ARG 69.A NE GLU 67.A OE2 no hydrogen 2.530 N/A ARG 69.A NH2 GLU 67.A OE1 no hydrogen 3.311 N/A ARG 69.A NH2 GLU 67.A OE2 no hydrogen 3.206 N/A HIS 71.A ND1 ARG 69.A O no hydrogen 2.766 N/A MET 72.A N PHE 133.A O no hydrogen 2.801 N/A VAL 73.A N SER 62.A O no hydrogen 2.858 N/A LEU 74.A N LEU 131.A O no hydrogen 2.927 N/A LEU 75.A N LYS 60.A O no hydrogen 2.724 N/A GLU 76.A N LEU 129.A O no hydrogen 3.064 N/A PHE 77.A N GLN 58.A O no hydrogen 2.941 N/A VAL 78.A N GLY 127.A O no hydrogen 3.157 N/A THR 79.A N SER 56.A O no hydrogen 2.972 N/A THR 79.A OG1 ASP 289.A OD2 no hydrogen 3.565 N/A ALA 80.A N ARG 157.A O no hydrogen 2.957 N/A ALA 81.A N TYR 54.A O no hydrogen 2.790 N/A SER 86.A OG ASP 160.A O no hydrogen 3.056 N/A SER 86.A OG GLN 164.A OE1 no hydrogen 2.662 N/A GLU 92.A N SER 89.A O no hydrogen 3.289 N/A GLU 92.A N SER 89.A OG no hydrogen 2.969 N/A GLU 93.A N LYS 90.A O no hydrogen 3.397 N/A THR 96.A N GLU 93.A O no hydrogen 3.030 N/A THR 96.A OG1 GLU 93.A O no hydrogen 3.083 N/A VAL 99.A N GLY 122.A O no hydrogen 2.939 N/A ILE 101.A N GLY 120.A O no hydrogen 3.115 N/A LEU 102.A N LEU 203.A O no hydrogen 2.971 N/A VAL 103.A N GLY 118.A O no hydrogen 2.653 N/A GLU 104.A N ASN 205.A O no hydrogen 2.982 N/A LEU 105.A N VAL 116.A O no hydrogen 3.022 N/A ASP 106.A N ILE 207.A O no hydrogen 3.113 N/A GLY 107.A N PHE 114.A O no hydrogen 2.804 N/A ASP 108.A N LEU 209.A O no hydrogen 3.271 N/A VAL 109.A N HIS 112.A O no hydrogen 3.202 N/A ASN 110.A N GLY 211.A O no hydrogen 2.669 N/A ASN 110.A ND2 PHE 214.A O no hydrogen 2.697 N/A GLY 111.A N ASP 108.A OD1 no hydrogen 2.622 N/A HIS 112.A N VAL 109.A O no hydrogen 2.731 N/A HIS 112.A NE2 GLU 216.A OE1 no hydrogen 3.059 N/A LYS 113.A NZ ASP 108.A OD2 no hydrogen 2.613 N/A PHE 114.A N GLY 107.A O no hydrogen 2.691 N/A SER 115.A OG ASP 106.A OD2 no hydrogen 3.008 N/A VAL 116.A N LEU 105.A O no hydrogen 3.083 N/A SER 117.A N ILE 134.A O no hydrogen 2.749 N/A SER 117.A OG GLU 104.A OE2 no hydrogen 3.066 N/A GLY 118.A N VAL 103.A O no hydrogen 2.912 N/A GLU 119.A N LYS 132.A O no hydrogen 3.065 N/A GLY 120.A N ILE 101.A O no hydrogen 3.274 N/A GLU 121.A N THR 130.A O no hydrogen 2.725 N/A GLY 122.A N VAL 99.A O no hydrogen 2.741 N/A ASP 123.A N LYS 128.A O no hydrogen 2.767 N/A THR 125.A OG1 THR 96.A O no hydrogen 3.194 N/A THR 125.A OG1 ASP 123.A OD2 no hydrogen 3.242 N/A TYR 126.A N ASP 123.A O no hydrogen 2.889 N/A GLY 127.A N ASP 123.A O no hydrogen 2.828 N/A GLY 127.A N ALA 124.A O no hydrogen 2.892 N/A LYS 128.A N ASP 123.A O no hydrogen 3.143 N/A LEU 129.A N GLU 76.A O no hydrogen 2.958 N/A THR 130.A N GLU 121.A O no hydrogen 2.994 N/A LEU 131.A N LEU 74.A O no hydrogen 3.178 N/A LYS 132.A N GLU 119.A O no hydrogen 2.821 N/A LYS 132.A NZ ASP 64.A OD2 no hydrogen 2.692 N/A LYS 132.A NZ GLU 67.A OE1 no hydrogen 3.011 N/A PHE 133.A N MET 72.A O no hydrogen 2.675 N/A ILE 134.A N SER 117.A O no hydrogen 2.779 N/A CYS 135.A N ASP 70.A O no hydrogen 3.133 N/A CYS 135.A SG SER 115.A O no hydrogen 3.920 N/A CYS 135.A SG GLY 138.A O no hydrogen 3.414 N/A THR 136.A OG1 SER 115.A O no hydrogen 3.048 N/A GLY 138.A N CYS 135.A O no hydrogen 3.518 N/A LYS 139.A NZ ASP 70.A OD2 no hydrogen 3.452 N/A LYS 139.A NZ LEU 140.A O no hydrogen 2.621 N/A LYS 139.A NZ HIS 223.A NE2 no hydrogen 3.195 N/A LEU 140.A N ASP 70.A OD2 no hydrogen 2.816 N/A TRP 144.A NE1 ASP 70.A OD1 no hydrogen 3.227 N/A THR 146.A N PRO 143.A O no hydrogen 3.112 N/A THR 146.A OG1 PRO 143.A O no hydrogen 2.476 N/A THR 146.A OG1 TYR 190.A OH no hydrogen 2.815 N/A LEU 147.A N TRP 144.A O no hydrogen 2.807 N/A VAL 148.A N PRO 145.A O no hydrogen 3.407 N/A THR 149.A OG1 HIS 35.A NE2 no hydrogen 3.204 N/A LEU 151.A N LEU 147.A O no hydrogen 2.761 N/A PHE 155.A N VAL 152.A O no hydrogen 3.421 N/A SER 156.A N GLN 153.A O no hydrogen 3.054 N/A SER 156.A OG GLN 153.A O no hydrogen 2.441 N/A ARG 157.A N VAL 78.A O no hydrogen 3.296 N/A ARG 157.A NE ASP 289.A OD1 no hydrogen 3.270 N/A TYR 158.A OH HIS 53.A NE2 no hydrogen 2.801 N/A HIS 161.A NE2 ILE 83.A O no hydrogen 3.047 N/A MET 162.A N PRO 159.A O no hydrogen 2.824 N/A LYS 163.A N ASP 160.A O no hydrogen 3.326 N/A LYS 163.A NZ GLU 92.A OE1 no hydrogen 3.158 N/A LYS 163.A NZ TYR 158.A O no hydrogen 3.086 N/A HIS 165.A N MET 162.A O no hydrogen 3.135 N/A PHE 167.A N HIS 165.A O no hydrogen 3.106 N/A LYS 169.A N ASP 166.A OD1 no hydrogen 2.995 N/A LYS 169.A NZ CYS 154.A O no hydrogen 2.786 N/A LYS 169.A NZ SER 156.A O no hydrogen 2.873 N/A LYS 169.A NZ ASP 166.A OD2 no hydrogen 3.042 N/A SER 170.A OG ASP 166.A O no hydrogen 3.155 N/A SER 170.A OG PHE 167.A O no hydrogen 2.406 N/A ALA 171.A N PHE 167.A O no hydrogen 3.292 N/A MET 172.A N LYS 169.A O no hydrogen 3.051 N/A GLY 175.A N ALA 171.A O no hydrogen 2.769 N/A TYR 176.A N VAL 196.A O no hydrogen 3.062 N/A ILE 177.A N THR 40.A O no hydrogen 2.734 N/A GLN 178.A N ALA 194.A O no hydrogen 2.789 N/A GLU 179.A N GLN 38.A O no hydrogen 2.893 N/A ARG 180.A N THR 192.A O no hydrogen 3.131 N/A ARG 180.A NE GLN 37.A OE1 no hydrogen 3.080 N/A ARG 180.A NH1 THR 149.A O no hydrogen 2.909 N/A ARG 180.A NH2 GLN 37.A OE1 no hydrogen 3.124 N/A THR 181.A N TYR 36.A O no hydrogen 3.128 N/A ILE 182.A N TYR 190.A O no hydrogen 2.890 N/A PHE 183.A N TYR 34.A O no hydrogen 3.056 N/A PHE 184.A N GLY 188.A O no hydrogen 3.002 N/A LYS 185.A N LEU 32.A O no hydrogen 3.294 N/A GLY 188.A N ASP 187.A OD1 no hydrogen 2.679 N/A ASN 189.A N ILE 212.A O no hydrogen 2.903 N/A TYR 190.A N ILE 182.A O no hydrogen 2.874 N/A TYR 190.A OH THR 146.A OG1 no hydrogen 2.815 N/A LYS 191.A N LYS 210.A O no hydrogen 2.738 N/A THR 192.A N ARG 180.A O no hydrogen 2.885 N/A ARG 193.A N GLU 208.A O no hydrogen 3.143 N/A ARG 193.A NH1 GLU 195.A OE2 no hydrogen 3.416 N/A ALA 194.A N GLN 178.A O no hydrogen 2.786 N/A GLU 195.A N ARG 206.A O no hydrogen 2.993 N/A VAL 196.A N TYR 176.A O no hydrogen 2.932 N/A LYS 197.A N VAL 204.A O no hydrogen 3.047 N/A LYS 197.A NZ GLU 195.A OE1 no hydrogen 3.335 N/A PHE 198.A N PRO 173.A O no hydrogen 3.434 N/A GLU 199.A N THR 202.A O no hydrogen 2.862 N/A THR 202.A N GLU 199.A O no hydrogen 3.041 N/A THR 202.A OG1 ASP 201.A OD2 no hydrogen 3.116 N/A LEU 203.A N PRO 100.A O no hydrogen 3.106 N/A VAL 204.A N LYS 197.A O no hydrogen 2.879 N/A ASN 205.A N LEU 102.A O no hydrogen 3.068 N/A ARG 206.A N GLU 195.A O no hydrogen 3.080 N/A ARG 206.A NH2 GLU 199.A OE2 no hydrogen 3.227 N/A ILE 207.A N GLU 104.A O no hydrogen 2.857 N/A GLU 208.A N ARG 193.A O no hydrogen 3.278 N/A LEU 209.A N ASP 106.A O no hydrogen 2.806 N/A LYS 210.A N LYS 191.A O no hydrogen 2.891 N/A GLY 211.A N ASP 108.A O no hydrogen 2.778 N/A ILE 212.A N ASN 189.A O no hydrogen 3.135 N/A PHE 214.A N ASN 110.A OD1 no hydrogen 2.900 N/A LYS 215.A N ASP 187.A OD1 no hydrogen 2.807 N/A GLY 218.A N LYS 215.A O no hydrogen 2.988 N/A ASN 219.A ND2 GLN 31.A OE1 no hydrogen 2.999 N/A HIS 223.A N ILE 220.A O no hydrogen 3.087 N/A LYS 224.A N ASN 219.A O no hydrogen 3.086 N/A LYS 224.A NZ ASP 217.A O no hydrogen 2.626 N/A GLU 226.A N ASN 24.A O no hydrogen 2.832 N/A TYR 227.A OH SER 62.A O no hydrogen 2.866 N/A ASP 231.A N THR 229.A OG1 no hydrogen 3.219 N/A ILE 238.A N THR 234.A O no hydrogen 2.840 N/A ALA 239.A N GLU 235.A O no hydrogen 2.917 N/A PHE 241.A N GLN 237.A O no hydrogen 3.338 N/A LYS 242.A N ILE 238.A O no hydrogen 2.862 N/A GLU 243.A N ALA 239.A O no hydrogen 2.900 N/A ALA 244.A N GLU 240.A O no hydrogen 2.791 N/A PHE 245.A N PHE 241.A O no hydrogen 2.706 N/A SER 246.A N LYS 242.A O no hydrogen 2.846 N/A SER 246.A OG LYS 242.A O no hydrogen 2.885 N/A LEU 247.A N GLU 243.A O no hydrogen 3.319 N/A PHE 248.A N PHE 245.A O no hydrogen 3.244 N/A ASP 249.A N SER 246.A O no hydrogen 3.126 N/A GLY 252.A N ASP 249.A O no hydrogen 3.123 N/A GLY 254.A N ASP 249.A OD1 no hydrogen 2.953 N/A GLY 254.A N ASP 249.A OD2 no hydrogen 3.438 N/A GLY 255.A N ASP 253.A OD1 no hydrogen 2.481 N/A ILE 256.A N ILE 288.A O no hydrogen 3.076 N/A THR 257.A N GLN 260.A OE1 no hydrogen 3.320 N/A THR 258.A OG1 GLY 286.A O no hydrogen 2.624 N/A LEU 261.A N THR 258.A O no hydrogen 2.930 N/A THR 263.A OG1 GLN 260.A O no hydrogen 3.321 N/A VAL 264.A N GLN 260.A O no hydrogen 3.312 N/A MET 265.A N LEU 261.A O no hydrogen 2.896 N/A ARG 266.A N GLY 262.A O no hydrogen 2.906 N/A SER 267.A N THR 263.A O no hydrogen 3.029 N/A SER 267.A OG THR 263.A O no hydrogen 3.208 N/A SER 267.A OG VAL 264.A O no hydrogen 2.583 N/A LEU 268.A N MET 265.A O no hydrogen 3.228 N/A GLY 269.A N ARG 266.A O no hydrogen 2.794 N/A THR 273.A N GLU 276.A OE1 no hydrogen 2.881 N/A GLU 276.A N THR 273.A OG1 no hydrogen 2.990 N/A LEU 277.A N THR 273.A O no hydrogen 2.747 N/A GLN 278.A N GLU 274.A O no hydrogen 3.349 N/A ASP 279.A N ALA 275.A O no hydrogen 3.367 N/A ILE 281.A N LEU 277.A O no hydrogen 3.350 N/A ASN 282.A N ASP 279.A O no hydrogen 2.839 N/A GLU 283.A N ASP 279.A O no hydrogen 3.125 N/A VAL 284.A N MET 280.A O no hydrogen 3.382 N/A ILE 288.A N ILE 256.A O no hydrogen 2.686 N/A PHE 293.A N ASP 289.A O no hydrogen 2.849 N/A LEU 294.A N PHE 290.A O no hydrogen 2.627 N/A THR 295.A N PRO 291.A O no hydrogen 2.933 N/A THR 295.A OG1 GLN 58.A OE1 no hydrogen 2.736 N/A THR 295.A OG1 PRO 291.A O no hydrogen 3.022 N/A MET 296.A N GLN 292.A O no hydrogen 2.801 N/A MET 297.A N PHE 293.A O no hydrogen 2.898 N/A ALA 298.A N LEU 294.A O no hydrogen 2.868 N/A ARG 299.A N THR 295.A O no hydrogen 3.049 N/A MET 301.A N ALA 298.A O no hydrogen 3.219 N/A