Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6msg_Y.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 9.A N ASP 5.A O no hydrogen 3.505 N/A LEU 11.A N ARG 7.A O no hydrogen 2.974 N/A ARG 12.A N ILE 8.A O no hydrogen 2.700 N/A ARG 12.A NE GLU 29.A OE2 no hydrogen 2.993 N/A ARG 12.A NH1 PRO 41.A O no hydrogen 2.671 N/A ARG 12.A NH2 GLU 29.A OE2 no hydrogen 3.299 N/A ARG 12.A NH2 PRO 41.A O no hydrogen 2.971 N/A PHE 13.A N ALA 9.A O no hydrogen 3.086 N/A LEU 14.A N GLN 10.A O no hydrogen 2.680 N/A LEU 15.A N LEU 11.A O no hydrogen 3.243 N/A SER 16.A N ARG 12.A O no hydrogen 3.235 N/A LEU 17.A N PHE 13.A O no hydrogen 3.503 N/A ALA 24.A N ASP 23.A OD1 no hydrogen 2.764 N/A ARG 27.A N ALA 24.A O no hydrogen 3.046 N/A ASP 28.A N ALA 24.A O no hydrogen 3.407 N/A ALA 32.A N ASP 28.A O no hydrogen 2.966 N/A VAL 34.A N LEU 30.A O no hydrogen 3.205 N/A ARG 35.A N MET 31.A O no hydrogen 3.201 N/A ARG 35.A NE MET 31.A O no hydrogen 2.957 N/A ASN 38.A N ARG 35.A O no hydrogen 3.298 N/A ASN 38.A ND2 ALA 32.A O no hydrogen 2.592 N/A ASN 38.A ND2 ASP 36.A OD2 no hydrogen 3.406 N/A ALA 40.A N ILE 103.A O no hydrogen 3.326 N/A TYR 42.A N ALA 40.A O no hydrogen 2.998 N/A TYR 42.A OH TYR 43.A OH no hydrogen 3.161 N/A TYR 43.A OH TYR 42.A OH no hydrogen 3.161 N/A GLU 44.A N GLU 44.A OE1 no hydrogen 2.854 N/A LEU 46.A N TYR 42.A O no hydrogen 2.698 N/A CYS 47.A N TYR 43.A O no hydrogen 3.100 N/A CYS 47.A SG TYR 43.A O no hydrogen 3.430 N/A LEU 50.A N LEU 46.A O no hydrogen 3.354 N/A GLN 53.A NE2 ASP 55.A OD2 no hydrogen 3.199 N/A ASP 55.A N GLN 53.A O no hydrogen 3.195 N/A ASN 60.A N VAL 56.A O no hydrogen 3.244 N/A LYS 61.A N ASP 57.A O no hydrogen 3.452 N/A LYS 63.A N LEU 59.A O no hydrogen 2.996 N/A LYS 64.A N ASN 60.A O no hydrogen 2.941 N/A ALA 65.A N LYS 61.A O no hydrogen 3.053 N/A ASN 66.A N MET 62.A O no hydrogen 2.868 N/A GLU 67.A N LYS 63.A O no hydrogen 2.931 N/A ASP 68.A N LYS 64.A O no hydrogen 2.807 N/A GLU 69.A N ALA 65.A O no hydrogen 3.047 N/A LEU 70.A N ASN 66.A O no hydrogen 3.038 N/A LYS 71.A N GLU 67.A O no hydrogen 2.475 N/A ARG 72.A N ASP 68.A O no hydrogen 2.994 N/A GLU 76.A N ARG 72.A O no hydrogen 3.382 N/A LEU 77.A N LEU 73.A O no hydrogen 3.056 N/A GLU 78.A N ASP 74.A O no hydrogen 3.145 N/A ASP 79.A N GLU 75.A O no hydrogen 2.998 N/A ALA 80.A N GLU 76.A O no hydrogen 3.155 N/A GLU 81.A N LEU 77.A O no hydrogen 3.051 N/A LYS 82.A NZ GLU 78.A O no hydrogen 3.426 N/A ILE 89.A N SER 87.A OG no hydrogen 3.259 N/A ARG 90.A N SER 87.A O no hydrogen 3.031 N/A ARG 90.A NH1 ARG 90.A O no hydrogen 3.452 N/A ASP 91.A N SER 87.A O no hydrogen 3.359 N/A MET 93.A N ILE 89.A O no hydrogen 3.034 N/A MET 94.A N ARG 90.A O no hydrogen 3.108 N/A ALA 95.A N ASP 91.A O no hydrogen 3.196 N/A LYS 96.A N ALA 92.A O no hydrogen 3.058 N/A LYS 96.A NZ GLU 67.A OE2 no hydrogen 3.192 N/A ALA 97.A N MET 93.A O no hydrogen 2.871 N/A GLU 98.A N MET 94.A O no hydrogen 2.686 N/A TYR 99.A N ALA 95.A O no hydrogen 3.105 N/A TYR 99.A OH LYS 63.A O no hydrogen 3.179 N/A LEU 100.A N LYS 96.A O no hydrogen 2.990 N/A CYS 101.A N ALA 97.A O no hydrogen 3.143 N/A CYS 101.A SG ALA 97.A O no hydrogen 3.271 N/A ARG 102.A N GLU 98.A O no hydrogen 3.481 N/A ARG 102.A NE ASP 36.A OD1 no hydrogen 2.323 N/A ILE 103.A N TYR 99.A O no hydrogen 3.003 N/A GLY 104.A N TYR 99.A O no hydrogen 3.475 N/A LYS 106.A NZ GLU 107.A OE2 no hydrogen 3.204 N/A GLU 107.A N GLU 107.A OE1 no hydrogen 2.798 N/A LEU 110.A N LYS 106.A O no hydrogen 2.814 N/A THR 111.A N GLU 107.A O no hydrogen 3.463 N/A ALA 112.A N GLY 108.A O no hydrogen 3.267 N/A PHE 113.A N ALA 109.A O no hydrogen 2.993 N/A ARG 114.A N LEU 110.A O no hydrogen 3.197 N/A ARG 114.A NH1 LEU 110.A O no hydrogen 3.350 N/A THR 116.A N ALA 112.A O no hydrogen 3.048 N/A LYS 119.A N THR 116.A O no hydrogen 3.248 N/A THR 120.A OG1 TYR 117.A O no hydrogen 2.344 N/A VAL 121.A N GLU 86.A OE2 no hydrogen 2.546 N/A ALA 122.A N GLU 86.A OE2 no hydrogen 3.032 N/A ARG 126.A NE THR 120.A O no hydrogen 3.169 N/A ARG 126.A NE THR 120.A OG1 no hydrogen 3.050 N/A ARG 126.A NH1 THR 120.A O no hydrogen 2.515 N/A LEU 127.A N LEU 123.A O no hydrogen 2.662 N/A ASP 128.A N GLY 124.A O no hydrogen 2.977 N/A ILE 129.A N HIS 125.A O no hydrogen 2.909 N/A VAL 130.A N ARG 126.A O no hydrogen 3.150 N/A PHE 131.A N LEU 127.A O no hydrogen 2.920 N/A TYR 132.A N ASP 128.A O no hydrogen 3.007 N/A TYR 132.A N ILE 129.A O no hydrogen 2.854 N/A LEU 133.A N ILE 129.A O no hydrogen 2.959 N/A LEU 134.A N VAL 130.A O no hydrogen 2.956 N/A ARG 135.A N PHE 131.A O no hydrogen 3.058 N/A ILE 136.A N TYR 132.A O no hydrogen 3.166 N/A GLY 137.A N LEU 133.A O no hydrogen 2.709 N/A PHE 139.A N ARG 135.A O no hydrogen 3.218 N/A TYR 140.A N ILE 136.A O no hydrogen 3.045 N/A ASP 142.A N GLY 137.A O no hydrogen 2.987 N/A THR 147.A N ASP 144.A O no hydrogen 3.323 N/A THR 147.A OG1 ASP 144.A O no hydrogen 2.401 N/A ARG 148.A N LEU 145.A O no hydrogen 3.284 N/A ASN 149.A N LEU 145.A O no hydrogen 3.175 N/A THR 150.A OG1 ILE 146.A O no hydrogen 2.610 N/A LYS 152.A N ARG 148.A O no hydrogen 2.775 N/A ALA 153.A N ASN 149.A O no hydrogen 2.842 N/A LYS 154.A N THR 150.A O no hydrogen 3.150 N/A SER 155.A N GLU 151.A O no hydrogen 3.120 N/A SER 155.A OG GLU 151.A O no hydrogen 2.610 N/A ILE 157.A N ALA 153.A O no hydrogen 3.029 N/A GLU 158.A N ALA 153.A O no hydrogen 2.644 N/A GLU 159.A N ILE 157.A O no hydrogen 2.869 N/A ARG 165.A NE ASP 164.A OD1 no hydrogen 3.550 N/A ARG 166.A NH2 SER 195.A OG no hydrogen 2.590 N/A ARG 168.A NH2 PHE 131.A O no hydrogen 3.042 N/A LEU 169.A N ARG 165.A O no hydrogen 2.954 N/A LYS 170.A N ARG 166.A O no hydrogen 2.985 N/A VAL 171.A N ASN 167.A O no hydrogen 2.913 N/A TYR 172.A N ARG 168.A O no hydrogen 3.049 N/A GLN 173.A N LEU 169.A O no hydrogen 3.439 N/A GLY 174.A N LYS 170.A O no hydrogen 3.259 N/A LEU 175.A N VAL 171.A O no hydrogen 3.024 N/A TYR 176.A N TYR 172.A O no hydrogen 2.851 N/A CYS 177.A N GLN 173.A O no hydrogen 2.667 N/A CYS 177.A SG GLN 173.A O no hydrogen 3.228 N/A CYS 177.A SG ASP 182.A OD1 no hydrogen 3.227 N/A VAL 178.A N GLY 174.A O no hydrogen 3.301 N/A ALA 179.A N LEU 175.A O no hydrogen 2.996 N/A ASP 182.A N ILE 180.A O no hydrogen 2.419 N/A GLU 188.A N LYS 184.A O no hydrogen 3.267 N/A LEU 189.A N GLN 185.A O no hydrogen 3.449 N/A PHE 190.A N ALA 186.A O no hydrogen 3.252 N/A LEU 191.A N GLU 188.A O no hydrogen 3.282 N/A ASP 192.A N ASP 192.A OD1 no hydrogen 2.424 N/A THR 193.A OG1 THR 193.A O no hydrogen 2.465 N/A SER 195.A OG VAL 194.A O no hydrogen 2.623 N/A TYR 200.A N SER 199.A OG no hydrogen 2.672 N/A LYS 206.A N ASP 204.A OD1 no hydrogen 3.463 N/A THR 207.A OG1 ASP 204.A O no hydrogen 3.170 N/A PHE 208.A N ASP 204.A O no hydrogen 3.220 N/A VAL 209.A N TYR 205.A O no hydrogen 3.068 N/A VAL 209.A N LYS 206.A O no hydrogen 3.216 N/A THR 210.A N LYS 206.A O no hydrogen 3.303 N/A THR 210.A OG1 THR 207.A O no hydrogen 2.722 N/A TYR 211.A N THR 207.A O no hydrogen 3.054 N/A TYR 211.A OH ASP 274.A OD1 no hydrogen 2.314 N/A THR 212.A N PHE 208.A O no hydrogen 3.167 N/A THR 212.A OG1 PHE 190.A O no hydrogen 2.638 N/A VAL 213.A N VAL 209.A O no hydrogen 3.252 N/A TYR 214.A N THR 210.A O no hydrogen 3.216 N/A SER 216.A OG THR 212.A O no hydrogen 3.515 N/A SER 216.A OG VAL 213.A O no hydrogen 3.425 N/A ILE 218.A N VAL 215.A O no hydrogen 3.236 N/A ARG 226.A NE ASP 224.A OD1 no hydrogen 2.946 N/A GLU 227.A N ASP 224.A O no hydrogen 3.162 N/A LYS 228.A N LEU 225.A O no hydrogen 3.162 N/A LYS 228.A NZ ASP 224.A O no hydrogen 3.224 N/A VAL 229.A N LEU 225.A O no hydrogen 3.256 N/A ILE 230.A N ARG 226.A O no hydrogen 3.326 N/A LYS 231.A N ARG 226.A O no hydrogen 3.028 N/A GLU 234.A N GLU 234.A OE1 no hydrogen 2.662 N/A GLU 237.A N ALA 233.A O no hydrogen 3.180 N/A LEU 239.A N ILE 235.A O no hydrogen 3.149 N/A HIS 240.A N LEU 236.A O no hydrogen 2.923 N/A SER 241.A N GLU 237.A O no hydrogen 2.941 N/A GLN 247.A N PRO 243.A O no hydrogen 3.028 N/A TYR 248.A N ALA 244.A O no hydrogen 2.751 N/A LEU 249.A N VAL 245.A O no hydrogen 2.968 N/A PHE 250.A N ARG 246.A O no hydrogen 3.393 N/A SER 251.A N GLN 247.A O no hydrogen 3.088 N/A SER 251.A OG GLN 247.A O no hydrogen 2.525 N/A LEU 252.A N LEU 249.A O no hydrogen 3.119 N/A TYR 253.A N LEU 249.A O no hydrogen 2.836 N/A GLU 254.A N PHE 250.A O no hydrogen 3.030 N/A CYS 255.A SG TYR 253.A O no hydrogen 3.848 N/A CYS 255.A SG TYR 257.A OH no hydrogen 3.622 N/A SER 258.A OG ALA 311.A O no hydrogen 3.065 N/A PHE 260.A N ARG 256.A O no hydrogen 2.888 N/A PHE 261.A N TYR 257.A O no hydrogen 3.051 N/A SER 263.A N VAL 259.A O no hydrogen 2.735 N/A SER 263.A OG VAL 259.A O no hydrogen 3.334 N/A SER 263.A OG PHE 260.A O no hydrogen 3.334 N/A LEU 264.A N PHE 260.A O no hydrogen 3.231 N/A ALA 265.A N GLN 262.A O no hydrogen 3.143 N/A VAL 266.A N GLN 262.A O no hydrogen 3.251 N/A VAL 267.A N SER 263.A O no hydrogen 3.428 N/A GLU 268.A N LEU 264.A O no hydrogen 3.275 N/A GLN 269.A N ALA 265.A O no hydrogen 3.171 N/A GLU 270.A N VAL 266.A O no hydrogen 3.332 N/A MET 271.A N GLU 268.A O no hydrogen 3.197 N/A LYS 273.A N GLU 270.A O no hydrogen 3.190 N/A LEU 276.A N ASP 274.A OD2 no hydrogen 2.743 N/A HIS 280.A N PHE 277.A O no hydrogen 3.205 N/A TYR 283.A N HIS 280.A O no hydrogen 3.366 N/A TYR 284.A N HIS 280.A O no hydrogen 2.963 N/A TYR 284.A OH TYR 214.A O no hydrogen 2.875 N/A GLU 287.A N TYR 283.A O no hydrogen 3.202 N/A MET 288.A N TYR 284.A O no hydrogen 3.239 N/A ARG 289.A N VAL 285.A O no hydrogen 2.647 N/A ILE 290.A N ARG 286.A O no hydrogen 3.205 N/A HIS 291.A N GLU 287.A O no hydrogen 2.893 N/A ALA 292.A N MET 288.A O no hydrogen 3.117 N/A TYR 293.A N ARG 289.A O no hydrogen 3.174 N/A SER 294.A N ILE 290.A O no hydrogen 3.261 N/A SER 294.A OG ILE 290.A O no hydrogen 3.312 N/A SER 294.A OG HIS 291.A O no hydrogen 2.834 N/A GLN 295.A N HIS 291.A O no hydrogen 3.361 N/A GLN 295.A NE2 LEU 252.A O no hydrogen 3.641 N/A LEU 296.A N ALA 292.A O no hydrogen 3.274 N/A LEU 297.A N TYR 293.A O no hydrogen 2.807 N/A GLU 298.A N SER 294.A O no hydrogen 3.122 N/A SER 299.A OG SER 299.A O no hydrogen 2.458 N/A THR 304.A OG1 GLU 341.A O no hydrogen 2.992 N/A GLY 306.A N THR 304.A OG1 no hydrogen 3.179 N/A ALA 311.A N TYR 307.A O no hydrogen 3.111 N/A GLU 317.A N GLU 317.A OE1 no hydrogen 2.707 N/A GLN 321.A N GLU 317.A O no hydrogen 3.323 N/A GLU 322.A N PHE 318.A O no hydrogen 2.965 N/A LEU 323.A N ILE 319.A O no hydrogen 2.820 N/A SER 324.A N ASP 320.A O no hydrogen 3.103 N/A ARG 325.A N GLN 321.A O no hydrogen 3.298 N/A ARG 325.A NE GLN 321.A O no hydrogen 3.343 N/A PHE 326.A N LEU 323.A O no hydrogen 3.228 N/A ILE 327.A N LEU 323.A O no hydrogen 2.939 N/A ALA 328.A N SER 324.A O no hydrogen 3.177 N/A ALA 329.A N PHE 326.A O no hydrogen 3.156 N/A GLY 330.A N ILE 327.A O no hydrogen 3.244 N/A CYS 334.A SG LEU 332.A O no hydrogen 3.422 N/A LYS 335.A N GLU 344.A O no hydrogen 2.978 N/A GLU 341.A N LYS 338.A O no hydrogen 3.353 N/A VAL 343.A N LEU 303.A O no hydrogen 2.565 N/A THR 345.A N ARG 301.A O no hydrogen 3.375 N/A THR 345.A OG1 HIS 333.A O no hydrogen 3.083 N/A ARG 347.A NH2 LEU 297.A O no hydrogen 2.458 N/A SER 350.A OG SER 350.A O no hydrogen 2.472 N/A TYR 355.A N LYS 351.A O no hydrogen 2.496 N/A GLN 356.A N ASN 352.A O no hydrogen 3.222 N/A GLU 357.A N TRP 353.A O no hydrogen 3.222 N/A GLU 357.A N GLN 354.A O no hydrogen 3.211 N/A THR 358.A N GLN 354.A O no hydrogen 3.418 N/A THR 358.A OG1 TYR 355.A O no hydrogen 2.909 N/A LYS 360.A N GLN 356.A O no hydrogen 2.899 N/A LYS 361.A N GLU 357.A O no hydrogen 3.411 N/A GLY 362.A N THR 358.A O no hydrogen 2.846 N/A LEU 366.A N GLY 362.A O no hydrogen 2.908 N/A ASN 367.A N ASP 363.A O no hydrogen 2.836 N/A VAL 369.A N LEU 365.A O no hydrogen 2.966 N/A GLN 370.A N LEU 366.A O no hydrogen 3.197 N/A LYS 371.A N ASN 367.A O no hydrogen 3.418 N/A LEU 372.A N ARG 368.A O no hydrogen 3.108 N/A SER 373.A N VAL 369.A O no hydrogen 2.913 N/A ARG 374.A NH1 GLN 370.A OE1 no hydrogen 3.394 N/A