Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4um8_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 7.A OG1 ASP 10.A OD2 no hydrogen 3.539 N/A CYS 8.A SG GLU 41.A OE1 no hydrogen 3.912 N/A CYS 11.A N THR 7.A O no hydrogen 3.016 N/A CYS 11.A SG ALA 19.A O no hydrogen 3.271 N/A LEU 13.A N ASP 10.A O no hydrogen 3.356 N/A CYS 18.A N GLY 15.A O no hydrogen 3.260 N/A ALA 22.A N PHE 39.A O no hydrogen 3.253 N/A CYS 24.A SG CYS 2.A O no hydrogen 3.380 N/A CYS 24.A SG CYS 11.A O no hydrogen 3.318 N/A CYS 24.A SG ALA 19.A O no hydrogen 3.905 N/A ASP 25.A N ALA 19.A O no hydrogen 2.903 N/A THR 26.A N ASP 25.A OD1 no hydrogen 2.471 N/A THR 26.A OG1 ASP 25.A OD1 no hydrogen 3.317 N/A THR 26.A OG1 ASN 29.A OD1 no hydrogen 2.399 N/A ASN 29.A N THR 26.A OG1 no hydrogen 3.404 N/A LEU 30.A N THR 26.A O no hydrogen 2.887 N/A LYS 33.A N ASN 29.A O no hydrogen 3.216 N/A GLY 34.A N LEU 30.A O no hydrogen 3.188 N/A GLY 34.A N LEU 31.A O no hydrogen 3.241 N/A CYS 35.A N LEU 30.A O no hydrogen 2.913 N/A CYS 35.A SG GLN 36.A O no hydrogen 3.700 N/A GLN 36.A N GLN 36.A OE1 no hydrogen 2.618 N/A PHE 39.A N GLN 36.A O no hydrogen 3.005 N/A ILE 40.A N GLN 36.A O no hydrogen 2.907 N/A GLU 41.A N TRP 20.A O no hydrogen 3.314 N/A VAL 44.A N ASN 42.A O no hydrogen 2.686 N/A GLN 46.A N LYS 77.A O no hydrogen 2.860 N/A GLU 48.A N ILE 75.A O no hydrogen 3.065 N/A LEU 50.A N SER 73.A O no hydrogen 3.092 N/A LYS 51.A N SER 73.A O no hydrogen 3.288 N/A LYS 53.A N GLN 72.A OE1 no hydrogen 2.730 N/A SER 56.A N VAL 67.A O no hydrogen 3.230 N/A SER 56.A OG ASP 65.A O no hydrogen 3.159 N/A GLY 58.A N GLU 94.A OE1 no hydrogen 2.851 N/A GLN 60.A NE2 GLY 58.A O no hydrogen 2.972 N/A ASP 65.A N ASN 62.A O no hydrogen 3.294 N/A VAL 67.A N SER 56.A OG no hydrogen 2.596 N/A GLN 68.A N ASP 407.A OD2 no hydrogen 3.286 N/A GLN 68.A NE2 ASP 407.A OD1 no hydrogen 2.730 N/A ALA 70.A N HIS 89.A O no hydrogen 2.751 N/A GLN 72.A N LYS 51.A O no hydrogen 2.647 N/A GLN 72.A NE2 LYS 53.A O no hydrogen 3.067 N/A GLN 72.A NE2 ILE 69.A O no hydrogen 2.430 N/A SER 73.A N LYS 51.A O no hydrogen 3.215 N/A LEU 74.A N GLU 410.A O no hydrogen 3.017 N/A ILE 75.A N GLU 48.A O no hydrogen 3.250 N/A LEU 76.A N LEU 412.A O no hydrogen 2.640 N/A LYS 77.A N GLN 46.A O no hydrogen 3.022 N/A LEU 78.A N SER 414.A O no hydrogen 3.216 N/A ARG 79.A N SER 45.A OG no hydrogen 2.547 N/A ARG 79.A NH1 LEU 12.A O no hydrogen 3.272 N/A ARG 79.A NH1 GLY 15.A O no hydrogen 3.164 N/A GLY 81.A N ILE 388.A O no hydrogen 2.898 N/A GLY 82.A N ARG 79.A O no hydrogen 2.811 N/A GLN 84.A N VAL 386.A O no hydrogen 3.209 N/A LEU 86.A N VAL 384.A O no hydrogen 2.702 N/A GLN 87.A NE2 SER 383.A OG no hydrogen 3.243 N/A VAL 88.A N PHE 382.A O no hydrogen 2.890 N/A HIS 89.A N ALA 70.A O no hydrogen 2.751 N/A HIS 89.A ND1 SER 381.A OG no hydrogen 2.991 N/A VAL 90.A N ALA 380.A O no hydrogen 2.796 N/A ARG 91.A N GLN 68.A O no hydrogen 2.924 N/A GLN 92.A NE2 LEU 336.A O no hydrogen 3.494 N/A THR 93.A N GLN 68.A OE1 no hydrogen 3.361 N/A GLU 94.A N GLU 94.A OE1 no hydrogen 2.590 N/A VAL 98.A N ASN 134.A O no hydrogen 2.802 N/A ASP 99.A N LEU 228.A O no hydrogen 2.671 N/A LEU 100.A N ARG 136.A O no hydrogen 2.843 N/A TYR 101.A N LEU 230.A O no hydrogen 2.972 N/A TYR 101.A OH HIS 177.A ND1 no hydrogen 2.887 N/A TYR 102.A N GLY 138.A O no hydrogen 2.921 N/A LEU 103.A N VAL 232.A O no hydrogen 3.024 N/A MET 104.A N GLY 140.A O no hydrogen 2.993 N/A ASP 105.A N VAL 234.A O no hydrogen 2.763 N/A LEU 106.A N PHE 142.A O no hydrogen 3.189 N/A SER 107.A N ASP 105.A OD1 no hydrogen 2.834 N/A SER 107.A OG ASP 105.A OD1 no hydrogen 3.114 N/A SER 107.A OG ASP 105.A OD2 no hydrogen 3.057 N/A SER 107.A OG SER 109.A OG no hydrogen 3.295 N/A SER 107.A OG GLU 205.A OE2 no hydrogen 3.303 N/A SER 107.A OG ASP 236.A OD1 no hydrogen 3.469 N/A ALA 108.A N ALA 199.A O no hydrogen 2.994 N/A SER 109.A OG SER 107.A OG no hydrogen 3.295 N/A SER 109.A OG ASP 236.A OD1 no hydrogen 3.547 N/A SER 109.A OG ASP 236.A OD2 no hydrogen 2.474 N/A MET 110.A N SER 107.A O no hydrogen 2.769 N/A ASP 111.A N ALA 108.A O no hydrogen 3.294 N/A LEU 114.A N MET 110.A O no hydrogen 3.147 N/A THR 116.A N ASP 113.A O no hydrogen 2.961 N/A THR 116.A OG1 ASP 113.A O no hydrogen 2.723 N/A THR 116.A OG1 ASP 321.A O no hydrogen 3.003 N/A ILE 117.A N ASP 113.A O no hydrogen 3.344 N/A LEU 120.A N ILE 117.A O no hydrogen 3.094 N/A SER 122.A N ASN 189.A OD1 no hydrogen 3.394 N/A LEU 124.A N LEU 120.A O no hydrogen 2.552 N/A SER 125.A N GLY 121.A O no hydrogen 3.147 N/A LYS 126.A N SER 122.A O no hydrogen 3.115 N/A GLU 127.A N ARG 123.A O no hydrogen 3.462 N/A MET 128.A N LEU 124.A O no hydrogen 2.953 N/A LYS 130.A N GLU 127.A O no hydrogen 3.196 N/A LEU 131.A N MET 128.A O no hydrogen 3.251 N/A THR 132.A N MET 128.A O no hydrogen 2.962 N/A THR 132.A OG1 ASP 95.A OD1 no hydrogen 3.467 N/A THR 132.A OG1 TYR 96.A O no hydrogen 2.906 N/A THR 132.A OG1 ASN 134.A O no hydrogen 3.525 N/A SER 133.A N ASP 95.A OD1 no hydrogen 3.338 N/A SER 133.A OG ASP 95.A OD1 no hydrogen 3.434 N/A SER 133.A OG ASP 95.A OD2 no hydrogen 2.960 N/A SER 133.A OG ASN 134.A OD1 no hydrogen 2.850 N/A ASN 134.A N THR 132.A OG1 no hydrogen 3.378 N/A ARG 136.A N VAL 98.A O no hydrogen 3.039 N/A LEU 137.A N THR 182.A O no hydrogen 2.948 N/A GLY 138.A N LEU 100.A O no hydrogen 2.698 N/A PHE 139.A N LEU 179.A O no hydrogen 3.001 N/A GLY 140.A N TYR 102.A O no hydrogen 2.953 N/A SER 141.A N LYS 176.A O no hydrogen 3.191 N/A PHE 142.A N MET 104.A O no hydrogen 3.211 N/A VAL 143.A N GLY 174.A O no hydrogen 3.300 N/A GLU 144.A N PHE 173.A O no hydrogen 3.285 N/A LYS 145.A N GLU 144.A OE2 no hydrogen 2.848 N/A LYS 145.A NZ ASP 209.A OD2 no hydrogen 2.699 N/A LYS 145.A NZ SER 269.A O no hydrogen 3.087 N/A LYS 145.A NZ LEU 272.A O no hydrogen 2.914 N/A VAL 147.A N LYS 145.A O no hydrogen 2.748 N/A VAL 151.A N VAL 147.A O no hydrogen 3.367 N/A GLU 156.A N GLU 156.A OE1 no hydrogen 2.689 N/A GLU 157.A N THR 154.A O no hydrogen 2.861 N/A GLU 157.A N THR 154.A OG1 no hydrogen 3.381 N/A ILE 158.A N THR 154.A O no hydrogen 2.817 N/A ALA 159.A N PRO 155.A O no hydrogen 3.400 N/A ASN 160.A N GLU 156.A O no hydrogen 3.217 N/A ASN 160.A ND2 TYR 167.A O no hydrogen 3.320 N/A CYS 162.A N ASN 160.A OD1 no hydrogen 3.399 N/A CYS 162.A SG SER 198.A O no hydrogen 3.290 N/A CYS 162.A SG ASN 200.A OD1 no hydrogen 4.031 N/A SER 163.A N ASN 160.A O no hydrogen 3.138 N/A SER 163.A OG ASN 160.A O no hydrogen 3.169 N/A ILE 165.A N CYS 162.A O no hydrogen 3.333 N/A TYR 167.A N CYS 162.A O no hydrogen 2.886 N/A CYS 169.A N ASN 160.A OD1 no hydrogen 3.248 N/A CYS 169.A SG TYR 167.A O no hydrogen 4.014 N/A CYS 169.A SG SER 198.A O no hydrogen 3.179 N/A LEU 170.A N ILE 197.A O no hydrogen 2.987 N/A LYS 176.A N SER 141.A O no hydrogen 2.825 N/A HIS 177.A NE2 LYS 220.A O no hydrogen 2.434 N/A ILE 178.A N PHE 139.A O no hydrogen 3.397 N/A LEU 179.A N PHE 139.A O no hydrogen 3.262 N/A LEU 181.A N ILE 221.A O no hydrogen 3.202 N/A THR 182.A N LEU 137.A O no hydrogen 3.144 N/A GLU 186.A N ASP 184.A OD1 no hydrogen 3.128 N/A ASN 189.A N ALA 185.A O no hydrogen 3.463 N/A GLU 190.A N GLU 186.A O no hydrogen 3.441 N/A ILE 191.A N ARG 187.A O no hydrogen 3.342 N/A VAL 192.A N PHE 188.A O no hydrogen 3.217 N/A LYS 193.A N ASN 189.A O no hydrogen 3.456 N/A ASN 194.A N ILE 191.A O no hydrogen 3.010 N/A GLN 195.A N VAL 192.A O no hydrogen 3.364 N/A SER 198.A N LEU 106.A O no hydrogen 2.728 N/A SER 198.A OG LEU 170.A O no hydrogen 3.431 N/A SER 198.A OG PRO 171.A O no hydrogen 3.560 N/A ASN 200.A N ASN 200.A OD1 no hydrogen 2.575 N/A THR 203.A OG1 PRO 204.A O no hydrogen 3.445 N/A GLU 205.A N ASP 238.A O no hydrogen 2.849 N/A GLY 206.A N VAL 143.A O no hydrogen 2.858 N/A ALA 210.A N GLY 207.A O no hydrogen 3.113 N/A ILE 211.A N GLY 207.A O no hydrogen 3.334 N/A MET 212.A N PHE 208.A O no hydrogen 3.319 N/A GLN 213.A N ASP 209.A O no hydrogen 3.393 N/A GLN 213.A NE2 LEU 257.A O no hydrogen 2.861 N/A ALA 214.A N ALA 210.A O no hydrogen 2.821 N/A ALA 215.A N MET 212.A O no hydrogen 3.397 N/A VAL 216.A N MET 212.A O no hydrogen 3.008 N/A CYS 217.A N GLN 213.A O no hydrogen 3.139 N/A CYS 217.A SG GLN 213.A OE1 no hydrogen 3.250 N/A LYS 220.A NZ LEU 260.A O no hydrogen 2.930 N/A LYS 220.A NZ ASN 264.A OD1 no hydrogen 3.148 N/A ILE 221.A N CYS 217.A O no hydrogen 3.139 N/A GLY 222.A N LYS 218.A O no hydrogen 2.764 N/A TRP 223.A N LYS 218.A O no hydrogen 3.329 N/A TRP 223.A NE1 ALA 214.A O no hydrogen 2.935 N/A ARG 224.A N ASP 99.A OD2 no hydrogen 2.801 N/A SER 227.A OG ASP 99.A OD2 no hydrogen 2.632 N/A SER 227.A OG ARG 224.A O no hydrogen 3.362 N/A LEU 228.A N PRO 97.A O no hydrogen 3.044 N/A HIS 229.A ND1 ASN 287.A O no hydrogen 3.198 N/A HIS 229.A NE2 ARG 224.A O no hydrogen 2.750 N/A LEU 230.A N ASP 99.A O no hydrogen 2.813 N/A LEU 231.A N LEU 290.A O no hydrogen 2.847 N/A VAL 232.A N TYR 101.A O no hydrogen 3.127 N/A PHE 233.A N ILE 292.A O no hydrogen 2.753 N/A VAL 234.A N LEU 103.A O no hydrogen 2.920 N/A SER 235.A N ALA 294.A O no hydrogen 3.402 N/A SER 235.A OG ASP 105.A OD2 no hydrogen 3.089 N/A ALA 237.A N SER 235.A OG no hydrogen 3.344 N/A HIS 240.A N GLU 205.A O no hydrogen 3.110 N/A HIS 240.A ND1 GLU 144.A OE1 no hydrogen 3.127 N/A PHE 241.A N ASP 244.A OD2 no hydrogen 2.782 N/A GLY 242.A N PRO 275.A O no hydrogen 3.499 N/A ASP 244.A N PHE 241.A O no hydrogen 3.043 N/A SER 245.A OG ILE 250.A O no hydrogen 3.118 N/A LYS 246.A N MET 243.A O no hydrogen 3.021 N/A ALA 248.A N SER 245.A O no hydrogen 3.082 N/A GLY 249.A N LYS 246.A O no hydrogen 3.188 N/A ILE 250.A N SER 245.A O no hydrogen 2.886 N/A GLY 256.A N ASN 254.A OD1 no hydrogen 2.728 N/A LEU 257.A N ASP 255.A OD1 no hydrogen 3.038 N/A HIS 259.A N GLN 213.A OE1 no hydrogen 2.855 N/A HIS 259.A NE2 ASP 255.A OD1 no hydrogen 3.032 N/A HIS 259.A NE2 ASP 255.A OD2 no hydrogen 2.933 N/A ASP 261.A N GLU 265.A O no hydrogen 3.184 N/A ASN 264.A N ASP 261.A O no hydrogen 3.047 N/A GLU 265.A N ASP 261.A OD1 no hydrogen 2.698 N/A TYR 266.A N PHE 175.A O no hydrogen 3.001 N/A SER 267.A N HIS 259.A O no hydrogen 3.062 N/A SER 267.A OG HIS 259.A O no hydrogen 2.998 N/A VAL 271.A N MET 268.A O no hydrogen 3.372 N/A LEU 272.A N MET 268.A O no hydrogen 3.158 N/A GLU 273.A N CYS 252.A O no hydrogen 2.721 N/A TYR 274.A OH GLU 144.A OE2 no hydrogen 2.456 N/A THR 276.A N GLN 279.A OE1 no hydrogen 2.918 N/A GLN 279.A N THR 276.A OG1 no hydrogen 3.131 N/A GLN 279.A NE2 ASN 254.A O no hydrogen 2.862 N/A LEU 280.A N THR 276.A O no hydrogen 2.724 N/A ILE 281.A N ILE 277.A O no hydrogen 2.962 N/A ASP 282.A N GLY 278.A O no hydrogen 3.461 N/A LYS 283.A N GLN 279.A O no hydrogen 3.196 N/A LYS 283.A N LEU 280.A O no hydrogen 3.322 N/A LEU 284.A N LEU 280.A O no hydrogen 2.840 N/A VAL 285.A N ILE 281.A O no hydrogen 3.022 N/A GLN 286.A N ASP 282.A O no hydrogen 3.386 N/A ASN 287.A N LYS 283.A O no hydrogen 2.843 N/A ASN 288.A N VAL 285.A O no hydrogen 3.241 N/A ASN 288.A ND2 GLY 404.A O no hydrogen 2.698 N/A VAL 289.A N LEU 284.A O no hydrogen 2.713 N/A LEU 290.A N HIS 229.A O no hydrogen 2.686 N/A ILE 292.A N LEU 231.A O no hydrogen 2.733 N/A PHE 293.A N THR 314.A O no hydrogen 2.893 N/A ALA 294.A N PHE 233.A O no hydrogen 2.697 N/A GLN 299.A N THR 296.A O no hydrogen 2.977 N/A TYR 303.A N GLN 299.A O no hydrogen 2.980 N/A TYR 303.A OH ALA 237.A O no hydrogen 2.794 N/A GLU 304.A N VAL 300.A O no hydrogen 2.765 N/A ASN 305.A N HIS 301.A O no hydrogen 3.273 N/A TYR 306.A N LEU 302.A O no hydrogen 3.368 N/A ALA 307.A N TYR 303.A O no hydrogen 3.137 N/A LYS 308.A NZ ASN 305.A OD1 no hydrogen 3.379 N/A LEU 309.A N TYR 306.A O no hydrogen 3.268 N/A ALA 313.A N ILE 310.A O no hydrogen 3.208 N/A THR 314.A N LEU 291.A O no hydrogen 3.116 N/A GLY 316.A N PHE 293.A O no hydrogen 2.902 N/A LEU 318.A N VAL 295.A O no hydrogen 2.774 N/A GLN 319.A N ASN 324.A OD1 no hydrogen 2.888 N/A SER 322.A N GLN 319.A O no hydrogen 2.869 N/A SER 322.A OG ASP 321.A O no hydrogen 2.490 N/A ASN 324.A ND2 LEU 317.A O no hydrogen 2.888 N/A LEU 328.A N ASN 324.A O no hydrogen 2.962 N/A ILE 329.A N ILE 325.A O no hydrogen 3.060 N/A ILE 330.A N LEU 326.A O no hydrogen 3.395 N/A SER 331.A OG GLN 327.A O no hydrogen 2.634 N/A SER 331.A OG LEU 328.A O no hydrogen 2.849 N/A ALA 332.A N LEU 328.A O no hydrogen 2.817 N/A TYR 333.A N ILE 329.A O no hydrogen 2.772 N/A GLU 334.A N ILE 330.A O no hydrogen 2.861 N/A GLU 335.A N SER 331.A O no hydrogen 3.183 N/A LEU 336.A N ALA 332.A O no hydrogen 3.248 N/A ARG 337.A N TYR 333.A O no hydrogen 2.992 N/A ARG 337.A NH1 THR 93.A O no hydrogen 3.210 N/A ARG 337.A NH1 GLU 94.A O no hydrogen 3.406 N/A ARG 337.A NH2 THR 93.A O no hydrogen 3.383 N/A SER 338.A N GLU 335.A O no hydrogen 2.854 N/A SER 338.A OG GLU 334.A O no hydrogen 3.155 N/A SER 338.A OG MET 374.A O no hydrogen 3.488 N/A GLU 339.A N LEU 336.A O no hydrogen 3.394 N/A VAL 340.A N CYS 371.A O no hydrogen 2.909 N/A LEU 342.A N LYS 369.A O no hydrogen 2.806 N/A GLU 343.A N LYS 401.A O no hydrogen 2.909 N/A LEU 345.A N ILE 399.A O no hydrogen 2.863 N/A SER 354.A OG THR 385.A OG1 no hydrogen 2.287 N/A ALA 357.A N PHE 365.A O no hydrogen 2.928 N/A ILE 358.A N SER 381.A O no hydrogen 3.113 N/A PHE 365.A N ALA 357.A O no hydrogen 2.703 N/A GLN 368.A N PHE 355.A O no hydrogen 3.204 N/A GLN 368.A NE2 LYS 370.A O no hydrogen 2.456 N/A CYS 371.A N VAL 340.A O no hydrogen 2.816 N/A ASP 378.A N LYS 375.A O no hydrogen 3.133 N/A ALA 380.A N VAL 90.A O no hydrogen 2.860 N/A SER 381.A OG HIS 89.A ND1 no hydrogen 2.991 N/A PHE 382.A N VAL 88.A O no hydrogen 2.743 N/A SER 383.A N THR 356.A O no hydrogen 3.354 N/A SER 383.A OG GLN 87.A OE1 no hydrogen 3.404 N/A VAL 384.A N LEU 86.A O no hydrogen 2.860 N/A THR 385.A N SER 354.A O no hydrogen 3.210 N/A THR 385.A OG1 SER 354.A OG no hydrogen 2.287 N/A VAL 386.A N GLN 84.A O no hydrogen 2.853 N/A ASN 387.A ND2 ASN 352.A OD1 no hydrogen 3.052 N/A CYS 391.A SG GLU 392.A O no hydrogen 4.003 N/A ARG 396.A N VAL 413.A O no hydrogen 3.160 N/A ARG 396.A NH2 GLU 392.A OE2 no hydrogen 2.576 N/A ILE 398.A N LEU 411.A O no hydrogen 2.922 N/A ILE 399.A N LEU 345.A O no hydrogen 2.891 N/A ILE 400.A N LEU 409.A O no hydrogen 2.769 N/A LYS 401.A N GLU 343.A O no hydrogen 3.313 N/A LYS 401.A NZ ASN 288.A OD1 no hydrogen 3.103 N/A LYS 401.A NZ GLU 343.A OE1 no hydrogen 2.695 N/A VAL 403.A N GLU 341.A O no hydrogen 2.860 N/A GLY 404.A N ASN 288.A OD1 no hydrogen 3.254 N/A LEU 409.A N ILE 400.A O no hydrogen 2.632 N/A GLU 410.A N GLN 72.A O no hydrogen 2.633 N/A LEU 411.A N ILE 398.A O no hydrogen 2.675 N/A LEU 412.A N LEU 74.A O no hydrogen 2.949 N/A VAL 413.A N ARG 396.A O no hydrogen 3.325 N/A SER 414.A N LEU 76.A O no hydrogen 2.852 N/A CYS 421.A SG GLU 41.A OE1 no hydrogen 3.253 N/A GLN 422.A N CYS 419.A O no hydrogen 3.208 N/A