Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k4e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG GLU 23.A OE1 no hydrogen 2.991 N/A SER 1.A OG GLU 23.A OE2 no hydrogen 3.217 N/A GLU 5.A N SER 1.A O no hydrogen 3.248 N/A GLN 6.A N PRO 2.A O no hydrogen 3.049 N/A ARG 8.A N LEU 4.A O no hydrogen 3.379 N/A ASN 9.A ND2 GLU 5.A O no hydrogen 3.149 N/A SER 10.A N LEU 7.A O no hydrogen 3.473 N/A SER 13.A N ASP 16.A OD2 no hydrogen 3.016 N/A SER 13.A OG ASP 16.A OD2 no hydrogen 3.495 N/A ASP 16.A N SER 13.A O no hydrogen 2.979 N/A SER 21.A N GLU 52.A OE1 no hydrogen 3.190 N/A SER 21.A OG ILE 17.A O no hydrogen 3.075 N/A SER 21.A OG GLU 52.A OE2 no hydrogen 2.512 N/A PHE 24.A N HIS 20.A O no hydrogen 3.189 N/A CYS 25.A N SER 21.A O no hydrogen 2.982 N/A CYS 25.A SG SER 21.A O no hydrogen 3.352 N/A LYS 26.A N LEU 22.A O no hydrogen 3.469 N/A LYS 26.A NZ GLU 59.A OE2 no hydrogen 3.202 N/A SER 31.A N ASP 27.A O no hydrogen 3.081 N/A SER 31.A N GLN 28.A O no hydrogen 3.144 N/A SER 31.A OG PHE 65.A O no hydrogen 2.849 N/A ARG 32.A N GLN 28.A O no hydrogen 3.096 N/A ARG 32.A NH1 GLN 28.A OE1 no hydrogen 3.176 N/A PHE 33.A N HIS 29.A O no hydrogen 3.276 N/A ILE 34.A N GLY 30.A O no hydrogen 3.314 N/A GLN 35.A N SER 31.A O no hydrogen 2.818 N/A GLN 35.A NE2 SER 31.A OG no hydrogen 2.636 N/A ARG 36.A N ARG 32.A O no hydrogen 3.223 N/A GLU 37.A N PHE 33.A O no hydrogen 3.062 N/A LEU 38.A N ILE 34.A O no hydrogen 2.928 N/A THR 40.A N GLU 37.A O no hydrogen 2.907 N/A THR 40.A OG1 GLU 37.A O no hydrogen 3.394 N/A SER 41.A N GLU 37.A O no hydrogen 2.678 N/A SER 41.A OG GLU 37.A O no hydrogen 2.850 N/A SER 41.A OG GLU 45.A OE2 no hydrogen 3.464 N/A LYS 46.A N PRO 42.A O no hydrogen 3.184 N/A LYS 46.A NZ PHE 76.A O no hydrogen 2.985 N/A GLU 47.A N ALA 43.A O no hydrogen 2.886 N/A VAL 48.A N SER 44.A O no hydrogen 3.168 N/A PHE 50.A N LYS 46.A O no hydrogen 2.976 N/A ASN 51.A N GLU 47.A O no hydrogen 2.835 N/A GLU 52.A N ILE 49.A O no hydrogen 3.077 N/A ILE 53.A N ILE 49.A O no hydrogen 3.061 N/A ASP 56.A N ILE 53.A O no hydrogen 3.206 N/A LEU 60.A N ASP 56.A O no hydrogen 3.155 N/A SER 61.A N ALA 57.A O no hydrogen 2.938 N/A SER 61.A OG ALA 57.A O no hydrogen 2.652 N/A ASN 62.A N ILE 58.A O no hydrogen 3.351 N/A ASP 63.A N LEU 60.A O no hydrogen 3.020 N/A PHE 65.A N ASP 63.A OD2 no hydrogen 2.880 N/A GLY 66.A N ASP 63.A OD2 no hydrogen 3.219 N/A ASN 67.A ND2 ASP 63.A O no hydrogen 2.786 N/A ASN 67.A ND2 VAL 64.A O no hydrogen 2.964 N/A VAL 69.A N GLY 66.A O no hydrogen 3.290 N/A GLN 71.A N ASN 67.A O no hydrogen 3.105 N/A GLN 71.A NE2 ASN 67.A O no hydrogen 3.674 N/A LYS 72.A N TYR 68.A O no hydrogen 3.004 N/A PHE 73.A N ILE 70.A O no hydrogen 3.153 N/A PHE 74.A N GLN 71.A O no hydrogen 3.046 N/A GLU 75.A N GLN 71.A O no hydrogen 3.153 N/A PHE 76.A N LYS 72.A O no hydrogen 2.755 N/A SER 78.A N GLN 81.A OE1 no hydrogen 3.017 N/A GLN 81.A N SER 78.A OG no hydrogen 3.159 N/A LYS 82.A N SER 78.A O no hydrogen 2.880 N/A ASN 83.A N LYS 79.A O no hydrogen 3.066 N/A THR 84.A N ILE 80.A O no hydrogen 3.145 N/A THR 84.A N GLN 81.A O no hydrogen 3.169 N/A THR 84.A OG1 ILE 80.A O no hydrogen 2.734 N/A LEU 85.A N GLN 81.A O no hydrogen 3.176 N/A VAL 86.A N LYS 82.A O no hydrogen 3.089 N/A ASP 87.A N ASN 83.A O no hydrogen 3.066 N/A GLN 88.A N THR 84.A O no hydrogen 3.324 N/A GLN 88.A N LEU 85.A O no hydrogen 3.056 N/A GLN 88.A NE2 ARG 54.A O no hydrogen 2.931 N/A PHE 89.A N LEU 85.A O no hydrogen 3.152 N/A PHE 89.A N VAL 86.A O no hydrogen 2.953 N/A LYS 90.A N VAL 86.A O no hydrogen 3.208 N/A LYS 90.A NZ ASP 87.A OD1 no hydrogen 2.876 N/A GLY 91.A N GLU 124.A OE1 no hydrogen 3.090 N/A GLY 91.A N GLU 124.A OE2 no hydrogen 3.225 N/A ASN 92.A N PHE 89.A O no hydrogen 2.818 N/A ASN 92.A ND2 GLN 88.A O no hydrogen 3.039 N/A MET 93.A N GLU 124.A OE1 no hydrogen 3.260 N/A LEU 96.A N ASN 92.A O no hydrogen 2.936 N/A SER 97.A N MET 93.A O no hydrogen 3.177 N/A SER 97.A OG MET 93.A O no hydrogen 2.677 N/A LEU 98.A N GLN 95.A O no hydrogen 3.298 N/A GLN 99.A NE2 ASN 62.A O no hydrogen 3.178 N/A TYR 101.A N GLN 99.A OE1 no hydrogen 2.865 N/A ALA 102.A N GLN 99.A OE1 no hydrogen 2.744 N/A CYS 103.A N GLN 99.A O no hydrogen 3.282 N/A CYS 103.A SG GLN 99.A O no hydrogen 3.643 N/A CYS 103.A SG MET 100.A O no hydrogen 3.653 N/A ARG 104.A N TYR 101.A O no hydrogen 3.270 N/A ILE 106.A N ALA 102.A O no hydrogen 2.996 N/A GLN 107.A N CYS 103.A O no hydrogen 2.923 N/A GLN 107.A NE2 CYS 103.A O no hydrogen 3.119 N/A LYS 108.A N ARG 104.A O no hydrogen 3.019 N/A LYS 108.A NZ GLU 75.A OE2 no hydrogen 2.812 N/A ALA 109.A N VAL 105.A O no hydrogen 2.802 N/A LEU 110.A N ILE 106.A O no hydrogen 3.085 N/A TYR 112.A N ALA 109.A O no hydrogen 2.978 N/A ILE 113.A N ALA 109.A O no hydrogen 3.006 N/A GLN 117.A N ASP 114.A O no hydrogen 2.861 N/A GLN 117.A N ASP 114.A OD1 no hydrogen 2.978 N/A GLN 117.A NE2 ASN 83.A OD1 no hydrogen 2.939 N/A ARG 118.A N ASP 114.A O no hydrogen 3.046 N/A ARG 118.A NE ILE 113.A O no hydrogen 2.932 N/A ARG 118.A NH2 ILE 113.A O no hydrogen 2.903 N/A ILE 119.A N SER 115.A O no hydrogen 3.478 N/A GLU 120.A N ASN 116.A O no hydrogen 3.364 N/A LEU 121.A N GLN 117.A O no hydrogen 3.208 N/A VAL 122.A N ARG 118.A O no hydrogen 3.063 N/A LEU 123.A N ILE 119.A O no hydrogen 2.824 N/A GLU 124.A N LEU 121.A O no hydrogen 3.167 N/A LEU 125.A N VAL 122.A O no hydrogen 2.882 N/A SER 126.A N LEU 123.A O no hydrogen 3.345 N/A SER 126.A OG LEU 123.A O no hydrogen 2.883 N/A SER 128.A N LEU 125.A O no hydrogen 3.296 N/A MET 132.A N SER 128.A O no hydrogen 3.003 N/A ILE 133.A N VAL 129.A O no hydrogen 3.086 N/A LYS 134.A N LEU 130.A O no hydrogen 3.254 N/A ASP 135.A N MET 132.A O no hydrogen 3.246 N/A ASN 137.A N ASP 135.A OD2 no hydrogen 3.192 N/A ASN 137.A ND2 LEU 98.A O no hydrogen 2.940 N/A GLY 138.A N ASP 135.A OD2 no hydrogen 2.859 N/A ASN 139.A N ASP 135.A O no hydrogen 3.361 N/A ASN 139.A ND2 ASP 135.A O no hydrogen 2.799 N/A HIS 140.A N ASN 137.A O no hydrogen 3.179 N/A VAL 141.A N GLY 138.A O no hydrogen 3.282 N/A ILE 142.A N GLY 138.A O no hydrogen 3.181 N/A GLN 143.A N ASN 139.A O no hydrogen 2.834 N/A GLN 143.A NE2 ASN 139.A OD1 no hydrogen 3.049 N/A LYS 144.A N HIS 140.A O no hydrogen 3.027 N/A LYS 144.A NZ GLU 111.A OE2 no hydrogen 2.966 N/A ALA 145.A N VAL 141.A O no hydrogen 2.933 N/A ILE 146.A N ILE 142.A O no hydrogen 2.986 N/A GLU 147.A N GLN 143.A O no hydrogen 3.178 N/A THR 148.A N LYS 144.A O no hydrogen 2.930 N/A THR 148.A OG1 LYS 144.A O no hydrogen 2.753 N/A THR 148.A OG1 ALA 145.A O no hydrogen 3.549 N/A ILE 149.A N ALA 145.A O no hydrogen 2.930 N/A LYS 153.A N PRO 150.A O no hydrogen 2.883 N/A LEU 154.A N ILE 151.A O no hydrogen 2.844 N/A SER 159.A N PRO 155.A O no hydrogen 3.319 N/A SER 159.A OG PRO 155.A O no hydrogen 3.180 N/A SER 160.A OG PHE 156.A O no hydrogen 2.725 N/A LEU 161.A N LEU 158.A O no hydrogen 2.996 N/A THR 162.A OG1 SER 159.A O no hydrogen 3.388 N/A GLY 163.A N GLU 196.A OE1 no hydrogen 3.183 N/A GLY 163.A N GLU 196.A OE2 no hydrogen 3.223 N/A HIS 164.A N LEU 161.A O no hydrogen 2.997 N/A LEU 168.A N HIS 164.A O no hydrogen 3.044 N/A SER 169.A N ILE 165.A O no hydrogen 3.217 N/A SER 169.A OG ILE 165.A O no hydrogen 2.607 N/A THR 170.A OG1 TYR 166.A O no hydrogen 3.471 N/A THR 170.A OG1 HIS 167.A O no hydrogen 2.997 N/A HIS 171.A N LEU 168.A O no hydrogen 3.152 N/A TYR 173.A N HIS 171.A ND1 no hydrogen 3.253 N/A GLY 174.A N HIS 171.A ND1 no hydrogen 3.222 N/A CYS 175.A N HIS 171.A O no hydrogen 3.320 N/A CYS 175.A SG HIS 171.A O no hydrogen 3.417 N/A CYS 175.A SG SER 172.A O no hydrogen 3.326 N/A ARG 176.A N TYR 173.A O no hydrogen 3.086 N/A VAL 177.A N TYR 173.A O no hydrogen 3.321 N/A ILE 178.A N GLY 174.A O no hydrogen 2.968 N/A GLN 179.A N CYS 175.A O no hydrogen 3.256 N/A GLN 179.A NE2 CYS 175.A O no hydrogen 3.237 N/A ARG 180.A N ARG 176.A O no hydrogen 3.186 N/A ARG 180.A NE GLU 147.A OE2 no hydrogen 2.747 N/A LEU 181.A N VAL 177.A O no hydrogen 2.827 N/A LEU 182.A N ILE 178.A O no hydrogen 2.880 N/A LEU 182.A N GLN 179.A O no hydrogen 3.272 N/A GLU 183.A N GLN 179.A O no hydrogen 3.108 N/A GLU 183.A N ARG 180.A O no hydrogen 3.192 N/A PHE 184.A N ARG 180.A O no hydrogen 3.048 N/A GLY 185.A N LEU 181.A O no hydrogen 3.012 N/A SER 186.A N ASP 189.A OD2 no hydrogen 3.255 N/A SER 186.A OG ASP 189.A OD2 no hydrogen 3.121 N/A ASP 189.A N SER 186.A O no hydrogen 3.115 N/A GLN 190.A N SER 186.A O no hydrogen 2.979 N/A GLN 190.A NE2 GLY 185.A O no hydrogen 3.011 N/A GLU 191.A N SER 187.A O no hydrogen 3.123 N/A SER 192.A N GLU 188.A O no hydrogen 3.232 N/A ILE 193.A N ASP 189.A O no hydrogen 3.342 N/A LEU 194.A N GLN 190.A O no hydrogen 3.076 N/A ASN 195.A N GLU 191.A O no hydrogen 2.925 N/A LEU 197.A N LEU 194.A O no hydrogen 3.012 N/A LYS 198.A N LEU 194.A O no hydrogen 2.877 N/A LYS 198.A NZ ASN 195.A OD1 no hydrogen 3.090 N/A PHE 200.A N LEU 197.A O no hydrogen 3.113 N/A TYR 203.A N PHE 200.A O no hydrogen 3.227 N/A LEU 204.A N PHE 200.A O no hydrogen 3.187 N/A ILE 205.A N ILE 201.A O no hydrogen 3.032 N/A GLN 206.A NE2 PRO 202.A O no hydrogen 3.082 N/A ASP 207.A N LEU 204.A O no hydrogen 3.082 N/A TYR 209.A N ASP 207.A OD1 no hydrogen 3.164 N/A GLY 210.A N ASP 207.A OD1 no hydrogen 2.934 N/A ASN 211.A ND2 ASP 207.A O no hydrogen 2.726 N/A ASN 211.A ND2 GLN 208.A O no hydrogen 3.222 N/A TYR 212.A N TYR 209.A O no hydrogen 3.354 N/A ILE 214.A N GLY 210.A O no hydrogen 3.043 N/A GLN 215.A N ASN 211.A O no hydrogen 2.914 N/A GLN 215.A NE2 ASN 211.A O no hydrogen 3.409 N/A TYR 216.A N TYR 212.A O no hydrogen 3.013 N/A VAL 217.A N VAL 213.A O no hydrogen 3.363 N/A LEU 218.A N ILE 214.A O no hydrogen 3.044 N/A GLN 219.A N GLN 215.A O no hydrogen 3.337 N/A GLN 220.A N VAL 217.A O no hydrogen 3.405 N/A GLN 220.A NE2 TYR 216.A O no hydrogen 3.606 N/A THR 224.A N ASP 221.A O no hydrogen 3.446 N/A THR 224.A OG1 ASP 221.A O no hydrogen 2.854 N/A ASN 225.A ND2 GLN 190.A OE1 no hydrogen 2.902 N/A MET 228.A N ASN 225.A OD1 no hydrogen 2.896 N/A ASP 230.A N LYS 226.A O no hydrogen 3.403 N/A ILE 231.A N GLU 227.A O no hydrogen 2.926 N/A LYS 232.A N MET 228.A O no hydrogen 3.122 N/A LYS 232.A NZ GLN 220.A O no hydrogen 3.081 N/A LYS 232.A NZ TYR 262.A O no hydrogen 3.144 N/A GLN 233.A N VAL 229.A O no hydrogen 3.152 N/A GLU 234.A N ASP 230.A O no hydrogen 3.067 N/A ILE 235.A N ILE 231.A O no hydrogen 3.105 N/A ILE 236.A N LYS 232.A O no hydrogen 3.128 N/A GLU 237.A N GLN 233.A O no hydrogen 2.903 N/A THR 238.A N GLU 234.A O no hydrogen 2.979 N/A THR 238.A OG1 GLU 234.A O no hydrogen 2.665 N/A VAL 239.A N ILE 235.A O no hydrogen 2.921 N/A ALA 240.A N ILE 236.A O no hydrogen 2.791 N/A ASN 241.A N GLU 237.A O no hydrogen 3.001 N/A ASN 242.A N VAL 239.A O no hydrogen 3.122 N/A ASN 242.A ND2 THR 238.A O no hydrogen 3.676 N/A TYR 246.A N ASN 242.A O no hydrogen 2.902 N/A SER 247.A N VAL 243.A O no hydrogen 3.106 N/A SER 247.A OG VAL 243.A O no hydrogen 2.990 N/A LYS 248.A N VAL 244.A O no hydrogen 3.247 N/A HIS 249.A N TYR 246.A O no hydrogen 2.998 N/A PHE 251.A N HIS 249.A ND1 no hydrogen 3.120 N/A ALA 252.A N HIS 249.A ND1 no hydrogen 3.265 N/A SER 253.A OG HIS 249.A O no hydrogen 2.988 N/A SER 253.A OG LYS 250.A O no hydrogen 3.216 N/A ASN 254.A ND2 PHE 251.A O no hydrogen 3.686 N/A VAL 255.A N ALA 252.A O no hydrogen 2.902 N/A VAL 256.A N ALA 252.A O no hydrogen 3.161 N/A GLU 257.A N SER 253.A O no hydrogen 3.114 N/A LYS 258.A N ASN 254.A O no hydrogen 3.150 N/A SER 259.A N VAL 255.A O no hydrogen 2.934 N/A SER 259.A N VAL 256.A O no hydrogen 3.043 N/A SER 259.A OG VAL 255.A O no hydrogen 2.575 N/A ILE 260.A N VAL 256.A O no hydrogen 3.092 N/A TYR 262.A N LYS 258.A O no hydrogen 3.012 N/A GLY 263.A N SER 259.A O no hydrogen 3.075 N/A GLN 267.A NE2 GLN 233.A OE1 no hydrogen 3.074 N/A LYS 268.A N SER 264.A O no hydrogen 2.751 N/A LYS 268.A NZ VAL 311.A O no hydrogen 3.471 N/A ASP 269.A N LYS 265.A O no hydrogen 3.347 N/A LEU 270.A N ASN 266.A O no hydrogen 3.210 N/A ILE 272.A N LYS 268.A O no hydrogen 3.322 N/A SER 273.A N ASP 269.A O no hydrogen 3.007 N/A SER 273.A OG ASP 269.A O no hydrogen 3.294 N/A SER 273.A OG LEU 270.A O no hydrogen 2.817 N/A LYS 274.A N ILE 271.A O no hydrogen 3.330 N/A ILE 275.A N ILE 272.A O no hydrogen 2.759 N/A LEU 276.A N ILE 272.A O no hydrogen 2.701 N/A HIS 282.A N ASP 279.A OD1 no hydrogen 2.872 N/A HIS 282.A ND1 ASP 279.A OD1 no hydrogen 2.920 N/A HIS 282.A ND1 ASP 279.A OD2 no hydrogen 3.214 N/A LEU 284.A N LYS 280.A O no hydrogen 3.328 N/A ASN 285.A N ASN 281.A O no hydrogen 3.085 N/A SER 290.A N GLU 287.A O no hydrogen 3.371 N/A SER 290.A OG GLU 287.A O no hydrogen 2.818 N/A LEU 294.A N SER 290.A O no hydrogen 2.957 N/A MET 295.A N PRO 291.A O no hydrogen 3.196 N/A MET 295.A N MET 292.A O no hydrogen 3.073 N/A ILE 296.A N MET 292.A O no hydrogen 2.910 N/A LYS 297.A N ILE 293.A O no hydrogen 3.351 N/A ASP 298.A N MET 295.A O no hydrogen 3.217 N/A PHE 300.A N ASP 298.A OD2 no hydrogen 2.976 N/A ALA 301.A N ASP 298.A OD2 no hydrogen 3.061 N/A ASN 302.A ND2 ASP 298.A O no hydrogen 2.849 N/A ASN 302.A ND2 GLN 299.A O no hydrogen 2.980 N/A TYR 303.A N PHE 300.A O no hydrogen 3.363 N/A ILE 305.A N ALA 301.A O no hydrogen 3.081 N/A GLN 306.A N ASN 302.A O no hydrogen 2.914 N/A LYS 307.A N TYR 303.A O no hydrogen 2.813 N/A LEU 308.A N VAL 304.A O no hydrogen 2.863 N/A LEU 308.A N ILE 305.A O no hydrogen 3.106 N/A VAL 309.A N ILE 305.A O no hydrogen 3.242 N/A SER 312.A OG LEU 308.A O no hydrogen 2.598 N/A LYS 317.A N GLU 313.A O no hydrogen 2.586 N/A LYS 318.A N GLY 314.A O no hydrogen 3.264 N/A LEU 319.A N GLY 316.A O no hydrogen 3.210 N/A ILE 320.A N GLY 316.A O no hydrogen 3.187 N/A VAL 321.A N LYS 317.A O no hydrogen 2.962 N/A ALA 323.A N ILE 320.A O no hydrogen 3.080 N/A ILE 324.A N ILE 320.A O no hydrogen 3.130 N/A ARG 325.A N VAL 321.A O no hydrogen 3.142 N/A ALA 326.A N ILE 322.A O no hydrogen 3.188 N/A TYR 327.A N ILE 324.A O no hydrogen 3.057 N/A LEU 328.A N ILE 324.A O no hydrogen 3.294 N/A GLU 336.A N LEU 332.A O no hydrogen 3.225 N/A LYS 337.A N ALA 333.A O no hydrogen 3.175 N/A ALA 339.A N VAL 335.A O no hydrogen 2.949 N/A ALA 340.A N GLU 336.A O no hydrogen 3.308 N/A LEU 341.A N LYS 337.A O no hydrogen 3.445 N/A VAL 342.A N LEU 338.A O no hydrogen 3.205 N/A VAL 342.A N ALA 339.A O no hydrogen 3.157 N/A GLU 343.A N ALA 339.A O no hydrogen 3.198 N/A