Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4k96_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N LYS 1.A O no hydrogen 3.223 N/A LEU 6.A N LEU 2.A O no hydrogen 3.066 N/A ASP 7.A N LYS 3.A O no hydrogen 3.288 N/A LYS 8.A N LYS 4.A O no hydrogen 3.190 N/A LYS 8.A NZ TYR 253.A OH no hydrogen 2.889 N/A LEU 9.A N VAL 5.A O no hydrogen 2.938 N/A ARG 10.A N LEU 6.A O no hydrogen 2.869 N/A ARG 10.A NH1 ASP 7.A OD1 no hydrogen 2.519 N/A ARG 10.A NH2 ASP 7.A OD1 no hydrogen 3.216 N/A LYS 14.A NZ GLU 18.A OE2 no hydrogen 3.186 N/A ILE 16.A N LYS 12.A O no hydrogen 2.932 N/A SER 17.A N ARG 13.A O no hydrogen 2.874 N/A SER 17.A OG ARG 13.A O no hydrogen 3.170 N/A GLU 18.A N LYS 14.A O no hydrogen 3.202 N/A ALA 19.A N ASP 15.A O no hydrogen 3.011 N/A ALA 20.A N ILE 16.A O no hydrogen 2.841 N/A GLU 21.A N SER 17.A O no hydrogen 3.064 N/A THR 22.A OG1 GLU 18.A O no hydrogen 3.565 N/A THR 22.A OG1 ASN 150.A OD1 no hydrogen 2.628 N/A VAL 23.A N ALA 19.A O no hydrogen 3.011 N/A ASN 24.A N ALA 20.A O no hydrogen 2.859 N/A LYS 25.A N GLU 21.A O no hydrogen 3.299 N/A VAL 26.A N THR 22.A O no hydrogen 3.105 N/A VAL 27.A N VAL 23.A O no hydrogen 2.923 N/A GLU 28.A N ASN 24.A O no hydrogen 3.164 N/A ARG 29.A N LYS 25.A O no hydrogen 3.496 N/A ARG 29.A NE GLU 123.A OE2 no hydrogen 2.667 N/A ARG 29.A NH2 GLU 123.A OE2 no hydrogen 3.487 N/A ARG 29.A NH2 GLU 126.A O no hydrogen 3.143 N/A LEU 30.A N VAL 26.A O no hydrogen 3.157 N/A LEU 31.A N VAL 27.A O no hydrogen 2.773 N/A ARG 32.A N GLU 28.A O no hydrogen 2.849 N/A ARG 33.A N ARG 29.A O no hydrogen 2.994 N/A ARG 33.A NH1 ARG 33.A O no hydrogen 2.970 N/A MET 34.A N LEU 30.A O no hydrogen 3.150 N/A GLN 35.A N ARG 32.A O no hydrogen 2.863 N/A GLN 35.A NE2 VAL 44.A O no hydrogen 2.953 N/A SER 39.A OG MET 34.A O no hydrogen 3.149 N/A PHE 41.A N SER 39.A OG no hydrogen 3.251 N/A VAL 44.A N PHE 41.A O no hydrogen 3.279 N/A GLU 45.A N LYS 69.A O no hydrogen 3.034 N/A GLN 46.A NE2 ASN 48.A OD1 no hydrogen 2.770 N/A LEU 47.A N MET 67.A O no hydrogen 2.962 N/A THR 49.A N ASP 65.A O no hydrogen 3.165 N/A GLU 54.A N GLY 50.A O no hydrogen 3.137 N/A GLU 54.A N SER 51.A O no hydrogen 3.118 N/A HIS 55.A N TYR 52.A O no hydrogen 3.151 N/A VAL 56.A N SER 51.A O no hydrogen 2.905 N/A LYS 57.A NZ ILE 58.A O no hydrogen 3.147 N/A LYS 57.A NZ ALA 60.A O no hydrogen 2.718 N/A LYS 57.A NZ ASN 62.A OD1 no hydrogen 3.252 N/A SER 59.A N LEU 9.A O no hydrogen 2.767 N/A ALA 60.A N ILE 58.A O no hydrogen 2.718 N/A PHE 64.A N SER 155.A O no hydrogen 2.864 N/A VAL 66.A N ASP 157.A O no hydrogen 2.801 N/A MET 67.A N LEU 47.A O no hydrogen 2.919 N/A PHE 68.A N ILE 159.A O no hydrogen 2.787 N/A LYS 69.A N GLU 45.A O no hydrogen 2.958 N/A LYS 69.A NZ GLU 45.A OE2 no hydrogen 2.978 N/A LYS 69.A NZ GLU 163.A OE2 no hydrogen 3.165 N/A LEU 70.A N ALA 161.A O no hydrogen 2.708 N/A VAL 72.A N GLU 163.A O no hydrogen 2.967 N/A GLU 76.A N LYS 90.A O no hydrogen 2.752 N/A GLN 78.A N LEU 88.A O no hydrogen 3.022 N/A TYR 80.A N PHE 86.A O no hydrogen 2.808 N/A THR 83.A N TYR 80.A O no hydrogen 3.249 N/A THR 83.A OG1 TYR 80.A O no hydrogen 2.663 N/A PHE 86.A N THR 83.A OG1 no hydrogen 3.400 N/A TYR 87.A N TRP 213.A O no hydrogen 2.763 N/A TYR 87.A OH GLY 84.A O no hydrogen 2.706 N/A LEU 88.A N GLN 78.A O no hydrogen 2.776 N/A LYS 90.A N GLU 76.A O no hydrogen 2.846 N/A PHE 91.A N GLU 105.A O no hydrogen 3.337 N/A LYS 92.A N ARG 74.A O no hydrogen 3.393 N/A LEU 98.A N ASN 96.A OD1 no hydrogen 2.395 N/A SER 99.A N ASN 96.A O no hydrogen 3.228 N/A SER 99.A OG ASN 96.A O no hydrogen 2.831 N/A SER 99.A OG HIS 100.A ND1 no hydrogen 3.310 N/A PHE 101.A N LEU 98.A O no hydrogen 2.821 N/A LEU 102.A N SER 99.A O no hydrogen 3.357 N/A GLU 103.A N VAL 106.A O no hydrogen 2.761 N/A LEU 107.A N VAL 89.A O no hydrogen 2.768 N/A SER 108.A N PHE 101.A O no hydrogen 3.051 N/A SER 108.A OG GLY 210.A O no hydrogen 3.422 N/A THR 110.A N GLY 210.A O no hydrogen 3.034 N/A THR 110.A OG1 GLY 210.A O no hydrogen 3.455 N/A LYS 111.A N SER 108.A OG no hydrogen 3.072 N/A MET 112.A N SER 108.A O no hydrogen 3.233 N/A LEU 113.A N ALA 109.A O no hydrogen 2.838 N/A SER 114.A N THR 110.A O no hydrogen 2.959 N/A LYS 115.A N LYS 111.A O no hydrogen 3.240 N/A LYS 115.A NZ GLU 40.A OE1 no hydrogen 3.087 N/A LYS 115.A NZ GLU 40.A OE2 no hydrogen 3.040 N/A PHE 116.A N MET 112.A O no hydrogen 2.966 N/A ARG 117.A N LEU 113.A O no hydrogen 2.862 N/A ARG 117.A NH1 GLU 135.A O no hydrogen 2.927 N/A LYS 118.A N SER 114.A O no hydrogen 2.926 N/A LYS 118.A NZ GLU 122.A OE2 no hydrogen 2.836 N/A ILE 119.A N LYS 115.A O no hydrogen 3.047 N/A ILE 120.A N PHE 116.A O no hydrogen 3.254 N/A LYS 121.A N ARG 117.A O no hydrogen 2.876 N/A GLU 122.A N LYS 118.A O no hydrogen 3.058 N/A GLU 123.A N ILE 119.A O no hydrogen 3.111 N/A VAL 124.A N ILE 120.A O no hydrogen 2.879 N/A LYS 125.A N LYS 121.A O no hydrogen 3.352 N/A GLU 126.A N GLU 123.A O no hydrogen 3.007 N/A ILE 127.A N VAL 124.A O no hydrogen 3.020 N/A LYS 128.A NZ LYS 125.A O no hydrogen 3.324 N/A SER 133.A N LEU 147.A O no hydrogen 2.909 N/A GLU 135.A N THR 145.A O no hydrogen 2.850 N/A GLY 140.A N ASN 201.A O no hydrogen 2.869 N/A SER 141.A N LYS 138.A O no hydrogen 3.149 N/A SER 141.A OG ALA 143.A O no hydrogen 3.521 N/A ALA 143.A N SER 141.A OG no hydrogen 3.254 N/A VAL 144.A N ILE 158.A O no hydrogen 2.930 N/A THR 145.A OG1 ASP 157.A OD1 no hydrogen 2.595 N/A LEU 146.A N VAL 156.A O no hydrogen 2.796 N/A LEU 147.A N SER 133.A O no hydrogen 2.691 N/A ILE 148.A N ILE 154.A O no hydrogen 2.769 N/A ARG 149.A N ASP 131.A O no hydrogen 2.876 N/A ASN 150.A N GLU 152.A O no hydrogen 2.939 N/A ASN 150.A ND2 GLU 18.A O no hydrogen 2.965 N/A ILE 154.A N ILE 148.A O no hydrogen 2.798 N/A SER 155.A N ASN 62.A O no hydrogen 2.903 N/A SER 155.A OG ASN 62.A O no hydrogen 3.345 N/A VAL 156.A N LEU 146.A O no hydrogen 2.983 N/A ASP 157.A N PHE 64.A O no hydrogen 2.788 N/A ILE 158.A N VAL 144.A O no hydrogen 3.050 N/A ILE 159.A N VAL 66.A O no hydrogen 2.660 N/A ALA 161.A N PHE 68.A O no hydrogen 3.058 N/A LEU 162.A N LEU 197.A O no hydrogen 2.766 N/A GLU 163.A N LEU 70.A O no hydrogen 2.605 N/A SER 164.A N PHE 195.A O no hydrogen 3.177 N/A TRP 168.A NE1 GLU 193.A O no hydrogen 2.985 N/A SER 171.A OG GLY 84.A O no hydrogen 2.767 N/A SER 171.A OG TYR 87.A OH no hydrogen 2.670 N/A THR 172.A N PRO 169.A O no hydrogen 2.936 N/A THR 172.A OG1 PRO 169.A O no hydrogen 2.831 N/A LYS 173.A N ILE 170.A O no hydrogen 3.208 N/A GLY 175.A N THR 172.A O no hydrogen 2.902 N/A LEU 176.A N TYR 318.A O no hydrogen 2.960 N/A ILE 178.A N LEU 176.A O no hydrogen 2.844 N/A GLN 179.A N GLN 179.A OE1 no hydrogen 2.723 N/A TRP 181.A N ILE 178.A O no hydrogen 2.980 N/A TRP 181.A NE1 HIS 228.A O no hydrogen 2.780 N/A LEU 182.A N ILE 178.A O no hydrogen 2.765 N/A GLY 183.A N ILE 178.A O no hydrogen 2.872 N/A ARG 187.A N GLY 183.A O no hydrogen 3.129 N/A ARG 187.A NE GLY 175.A O no hydrogen 3.378 N/A ARG 187.A NE LEU 176.A O no hydrogen 2.814 N/A ARG 187.A NH2 LYS 173.A O no hydrogen 2.859 N/A ARG 187.A NH2 GLY 175.A O no hydrogen 2.650 N/A THR 188.A N THR 184.A O no hydrogen 2.853 N/A THR 188.A OG1 THR 184.A O no hydrogen 3.098 N/A ASN 189.A N LYS 185.A O no hydrogen 2.964 N/A LEU 190.A N VAL 186.A O no hydrogen 2.851 N/A ARG 191.A N ARG 187.A O no hydrogen 3.029 N/A ARG 192.A N ASN 189.A O no hydrogen 3.187 N/A GLU 193.A N LEU 190.A O no hydrogen 3.229 N/A PHE 195.A N SER 164.A O no hydrogen 3.060 N/A TYR 196.A OH GLU 163.A OE2 no hydrogen 2.763 N/A LEU 197.A N LEU 162.A O no hydrogen 2.983 N/A VAL 198.A N ARG 214.A O no hydrogen 2.875 N/A LYS 200.A N THR 212.A O no hydrogen 3.210 N/A ASN 201.A ND2 GLU 137.A OE2 no hydrogen 3.415 N/A ASN 201.A ND2 SER 141.A O no hydrogen 2.833 N/A LYS 203.A NZ ASN 201.A OD1 no hydrogen 3.441 N/A GLY 205.A N GLN 209.A OE1 no hydrogen 2.921 N/A ASN 206.A N ASP 204.A OD1 no hydrogen 3.113 N/A GLN 209.A N ASN 206.A O no hydrogen 3.406 N/A GLU 211.A N PHE 208.A O no hydrogen 2.844 N/A THR 212.A OG1 PHE 208.A O no hydrogen 3.237 N/A THR 212.A OG1 GLN 209.A O no hydrogen 3.472 N/A TRP 213.A N TYR 87.A O no hydrogen 2.826 N/A TRP 213.A NE1 LEU 107.A O no hydrogen 3.342 N/A ARG 214.A N VAL 198.A O no hydrogen 2.742 N/A LEU 215.A N ALA 85.A O no hydrogen 2.965 N/A SER 216.A N TYR 196.A O no hydrogen 2.928 N/A SER 218.A OG SER 216.A OG no hydrogen 3.214 N/A HIS 219.A NE2 PRO 194.A O no hydrogen 2.840 N/A GLU 221.A N PHE 217.A O no hydrogen 2.927 N/A LYS 222.A N SER 218.A O no hydrogen 2.996 N/A LYS 222.A NZ ASN 48.A O no hydrogen 2.721 N/A TYR 223.A N HIS 219.A O no hydrogen 3.071 N/A ILE 224.A N THR 220.A O no hydrogen 2.954 N/A LEU 225.A N GLU 221.A O no hydrogen 2.923 N/A ASN 226.A N LYS 222.A O no hydrogen 3.146 N/A ASN 227.A N ILE 224.A O no hydrogen 3.062 N/A ASN 227.A ND2 TYR 223.A O no hydrogen 2.854 N/A HIS 228.A ND1 LEU 225.A O no hydrogen 2.729 N/A ILE 230.A N ASP 287.A OD1 no hydrogen 2.930 N/A GLU 231.A N ASP 287.A OD2 no hydrogen 3.055 N/A CYS 234.A N GLU 231.A O no hydrogen 3.359 N/A CYS 234.A SG HIS 228.A NE2 no hydrogen 3.824 N/A CYS 235.A N ALA 240.A O no hydrogen 2.863 N/A CYS 235.A SG HIS 228.A NE2 no hydrogen 3.497 N/A GLU 236.A N THR 233.A O no hydrogen 2.934 N/A GLY 239.A N GLU 236.A O no hydrogen 3.091 N/A CYS 242.A SG HIS 228.A NE2 no hydrogen 3.423 N/A CYS 243.A N TRP 290.A O no hydrogen 2.699 N/A CYS 243.A SG TRP 290.A O no hydrogen 3.380 N/A CYS 243.A SG ASP 291.A O no hydrogen 3.563 N/A ARG 244.A NH1 ASP 287.A OD1 no hydrogen 2.956 N/A ARG 244.A NH2 ASP 287.A OD1 no hydrogen 2.787 N/A CYS 247.A N CYS 243.A O no hydrogen 3.159 N/A CYS 247.A SG CYS 243.A O no hydrogen 3.370 N/A LEU 248.A N ARG 244.A O no hydrogen 3.288 N/A LYS 249.A N LYS 245.A O no hydrogen 2.880 N/A LEU 250.A N GLU 246.A O no hydrogen 2.814 N/A MET 251.A N CYS 247.A O no hydrogen 2.992 N/A LYS 252.A N LEU 248.A O no hydrogen 2.842 N/A LYS 252.A NZ SER 51.A OG no hydrogen 3.249 N/A TYR 253.A N LYS 249.A O no hydrogen 2.943 N/A LEU 254.A N LEU 250.A O no hydrogen 3.001 N/A LEU 255.A N MET 251.A O no hydrogen 3.194 N/A GLU 256.A N LYS 252.A O no hydrogen 3.040 N/A GLN 257.A N TYR 253.A O no hydrogen 3.061 N/A LEU 258.A N LEU 254.A O no hydrogen 3.211 N/A LYS 259.A N LEU 255.A O no hydrogen 2.760 N/A LYS 259.A NZ PHE 268.A O no hydrogen 2.434 N/A LYS 260.A N GLU 256.A O no hydrogen 3.019 N/A LEU 265.A N PHE 262.A O no hydrogen 3.076 N/A ASP 266.A N GLN 263.A O no hydrogen 3.216 N/A CYS 269.A N HIS 272.A ND1 no hydrogen 3.154 N/A SER 270.A OG GLU 256.A OE2 no hydrogen 3.472 N/A TYR 271.A OH GLU 221.A OE1 no hydrogen 2.814 N/A TYR 271.A OH HIS 317.A NE2 no hydrogen 3.185 N/A HIS 272.A N CYS 269.A O no hydrogen 3.182 N/A LYS 274.A N SER 270.A O no hydrogen 2.834 N/A LYS 274.A NZ GLU 54.A OE1 no hydrogen 3.102 N/A LYS 274.A NZ GLU 54.A OE2 no hydrogen 2.606 N/A LYS 274.A NZ GLU 221.A OE2 no hydrogen 3.005 N/A THR 275.A N TYR 271.A O no hydrogen 2.827 N/A THR 275.A OG1 TYR 271.A O no hydrogen 2.745 N/A ALA 276.A N HIS 272.A O no hydrogen 3.053 N/A ILE 277.A N VAL 273.A O no hydrogen 3.139 N/A PHE 278.A N LYS 274.A O no hydrogen 3.169 N/A HIS 279.A N THR 275.A O no hydrogen 3.202 N/A HIS 279.A NE2 ASP 316.A O no hydrogen 2.694 N/A MET 280.A N ALA 276.A O no hydrogen 2.973 N/A TRP 281.A N ILE 277.A O no hydrogen 2.725 N/A THR 282.A N PHE 278.A O no hydrogen 3.068 N/A THR 282.A N HIS 279.A O no hydrogen 3.193 N/A THR 282.A OG1 PHE 278.A O no hydrogen 3.071 N/A GLN 283.A N HIS 279.A O no hydrogen 2.979 N/A ASP 284.A N MET 280.A O no hydrogen 2.906 N/A GLN 286.A N GLN 289.A OE1 no hydrogen 3.115 N/A GLN 289.A N GLN 286.A O no hydrogen 2.948 N/A TRP 290.A N ASP 287.A O no hydrogen 2.963 N/A TRP 290.A NE1 ASP 284.A O no hydrogen 2.736 N/A ARG 293.A N ASP 291.A OD1 no hydrogen 2.814 N/A ASN 294.A N ASP 291.A O no hydrogen 2.848 N/A LEU 295.A N PRO 292.A O no hydrogen 3.395 N/A SER 297.A OG ASN 294.A O no hydrogen 2.956 N/A CYS 298.A N ASN 294.A O no hydrogen 2.916 N/A CYS 298.A SG GLN 289.A O no hydrogen 3.315 N/A CYS 298.A SG ASN 294.A O no hydrogen 3.142 N/A PHE 299.A N LEU 295.A O no hydrogen 2.917 N/A ASP 300.A N SER 296.A O no hydrogen 3.068 N/A LYS 301.A N SER 297.A O no hydrogen 3.149 N/A LYS 301.A NZ ASP 284.A OD2 no hydrogen 3.138 N/A LYS 301.A NZ GLN 289.A O no hydrogen 3.209 N/A LEU 302.A N CYS 298.A O no hydrogen 3.325 N/A LEU 303.A N PHE 299.A O no hydrogen 3.107 N/A ALA 304.A N ASP 300.A O no hydrogen 2.931 N/A PHE 305.A N LYS 301.A O no hydrogen 2.940 N/A PHE 306.A N LEU 302.A O no hydrogen 2.922 N/A LEU 307.A N LEU 303.A O no hydrogen 2.814 N/A GLU 308.A N ALA 304.A O no hydrogen 3.090 N/A CYS 309.A N PHE 305.A O no hydrogen 3.085 N/A CYS 309.A SG PHE 305.A O no hydrogen 3.316 N/A CYS 309.A SG LYS 314.A O no hydrogen 3.555 N/A LEU 310.A N PHE 306.A O no hydrogen 3.066 N/A ARG 311.A N LEU 307.A O no hydrogen 2.967 N/A ARG 311.A NE GLU 308.A OE1 no hydrogen 3.183 N/A ARG 311.A NE GLU 308.A OE2 no hydrogen 3.107 N/A ARG 311.A NH2 GLU 308.A OE2 no hydrogen 2.490 N/A THR 312.A N GLU 308.A O no hydrogen 3.113 N/A THR 312.A OG1 GLU 308.A O no hydrogen 2.902 N/A GLU 313.A N LEU 310.A O no hydrogen 3.086 N/A LYS 314.A N CYS 309.A O no hydrogen 2.935 N/A LEU 315.A N ASN 324.A OD1 no hydrogen 2.775 N/A HIS 317.A N PHE 323.A O no hydrogen 2.838 N/A TYR 318.A OH THR 282.A OG1 no hydrogen 2.555 N/A PHE 319.A N HIS 317.A ND1 no hydrogen 3.046 N/A ILE 320.A N HIS 317.A ND1 no hydrogen 3.217 N/A ILE 320.A N HIS 317.A O no hydrogen 3.280 N/A LYS 322.A NZ GLU 79.A OE1 no hydrogen 2.521 N/A PHE 323.A N ILE 320.A O no hydrogen 2.908 N/A ASN 324.A ND2 GLU 313.A O no hydrogen 2.919 N/A LEU 325.A N LEU 315.A O no hydrogen 2.807 N/A PHE 326.A N ASN 324.A OD1 no hydrogen 2.943 N/A SER 327.A OG GLU 329.A O no hydrogen 2.599 N/A ILE 331.A N GLU 329.A O no hydrogen 2.622 N/A SER 335.A N ASP 332.A O no hydrogen 3.034 N/A SER 335.A OG GLU 264.A OE2 no hydrogen 2.953 N/A LYS 336.A NZ SER 327.A O no hydrogen 3.258 N/A LYS 336.A NZ ILE 331.A O no hydrogen 2.608 N/A GLU 337.A N ARG 333.A O no hydrogen 3.169 N/A PHE 338.A N LYS 334.A O no hydrogen 3.172 N/A LEU 339.A N SER 335.A O no hydrogen 3.018 N/A SER 340.A N LYS 336.A O no hydrogen 2.897 N/A SER 340.A OG LYS 336.A O no hydrogen 2.600 N/A LYS 341.A N GLU 337.A O no hydrogen 2.783 N/A LYS 342.A N LEU 339.A O no hydrogen 3.088 N/A ILE 343.A N LEU 339.A O no hydrogen 2.881 N/A GLU 344.A N SER 340.A O no hydrogen 3.427 N/A GLU 346.A N LYS 342.A O no hydrogen 3.313 N/A ARG 347.A N ILE 343.A O no hydrogen 2.743 N/A ARG 347.A NE ASP 300.A OD1 no hydrogen 2.862 N/A ARG 347.A NH1 GLU 344.A OE2 no hydrogen 3.378 N/A ARG 347.A NH2 ASP 300.A OD1 no hydrogen 3.295 N/A ARG 347.A NH2 ASP 300.A OD2 no hydrogen 2.842 N/A ASN 348.A N GLU 344.A O no hydrogen 2.728 N/A ASN 349.A N TYR 345.A O no hydrogen 3.022 N/A ASN 349.A ND2 TYR 345.A O no hydrogen 2.660 N/A PHE 351.A N GLU 346.A O no hydrogen 2.713 N/A ILE 353.A N GLU 346.A OE1 no hydrogen 2.972 N/A PHE 354.A N PHE 351.A O no hydrogen 3.411 N/A ASP 355.A N PRO 352.A O no hydrogen 3.074 N/A