Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jw0_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N PHE 1.A O no hydrogen 2.699 N/A LYS 6.A N GLU 2.A O no hydrogen 3.089 N/A LYS 6.A NZ ILE 248.A O no hydrogen 3.102 N/A LYS 6.A NZ GLU 253.A OE1 no hydrogen 3.512 N/A TYR 7.A N PHE 3.A O no hydrogen 2.913 N/A ASP 8.A N LYS 4.A O no hydrogen 3.296 N/A TYR 9.A N GLN 5.A O no hydrogen 3.329 N/A PHE 10.A N LYS 6.A O no hydrogen 2.929 N/A ARG 11.A N TYR 7.A O no hydrogen 2.822 N/A ARG 11.A NH1 PHE 128.A O no hydrogen 3.193 N/A LYS 12.A N ASP 8.A O no hydrogen 3.145 N/A LYS 13.A N TYR 9.A O no hydrogen 3.361 N/A LYS 13.A NZ TYR 9.A OH no hydrogen 3.529 N/A LEU 14.A N ARG 11.A O no hydrogen 3.226 N/A ASP 19.A N ASP 19.A OD1 no hydrogen 2.574 N/A ARG 23.A NH2 GLU 25.A OE1 no hydrogen 2.932 N/A PHE 24.A N ARG 53.A O no hydrogen 2.616 N/A MET 26.A N TRP 55.A O no hydrogen 2.822 N/A LEU 28.A N GLU 57.A O no hydrogen 3.080 N/A HIS 29.A N GLU 36.A OE1 no hydrogen 2.760 N/A HIS 29.A ND1 GLU 36.A OE2 no hydrogen 3.179 N/A ARG 30.A NH2 GLU 72.A OE2 no hydrogen 3.166 N/A ASN 32.A N HIS 29.A O no hydrogen 3.002 N/A GLU 36.A N ASN 32.A O no hydrogen 3.268 N/A SER 37.A N ILE 33.A O no hydrogen 2.757 N/A SER 37.A OG ILE 33.A O no hydrogen 2.889 N/A TYR 38.A N PHE 34.A O no hydrogen 2.772 N/A TYR 38.A OH SER 114.A OG no hydrogen 2.684 N/A ARG 39.A N GLU 35.A O no hydrogen 2.944 N/A ARG 40.A N GLU 36.A O no hydrogen 3.120 N/A ILE 41.A N SER 37.A O no hydrogen 3.092 N/A MET 42.A N TYR 38.A O no hydrogen 2.986 N/A SER 43.A N ARG 40.A O no hydrogen 3.072 N/A SER 43.A OG ARG 39.A O no hydrogen 2.925 N/A SER 43.A OG ARG 40.A O no hydrogen 2.672 N/A ARG 46.A NH1 ASP 19.A O no hydrogen 2.814 N/A VAL 49.A N ARG 46.A O no hydrogen 2.843 N/A LYS 51.A N ASP 48.A O no hydrogen 2.685 N/A ALA 52.A N VAL 49.A O no hydrogen 2.920 N/A TRP 55.A N PHE 24.A O no hydrogen 3.064 N/A GLU 57.A N MET 26.A O no hydrogen 2.915 N/A ASP 65.A N GLY 63.A O no hydrogen 2.840 N/A TYR 66.A OH GLU 57.A OE1 no hydrogen 3.238 N/A ALA 70.A N GLY 67.A O no hydrogen 3.137 N/A GLU 72.A N GLY 68.A O no hydrogen 3.348 N/A TRP 73.A N VAL 69.A O no hydrogen 3.113 N/A TRP 73.A NE1 SER 37.A OG no hydrogen 2.868 N/A PHE 75.A N ARG 71.A O no hydrogen 3.460 N/A LEU 76.A N GLU 72.A O no hydrogen 2.627 N/A LEU 77.A N TRP 73.A O no hydrogen 3.005 N/A SER 78.A N PHE 74.A O no hydrogen 2.933 N/A SER 78.A OG PHE 74.A O no hydrogen 3.008 N/A LYS 79.A NZ MET 316.A O no hydrogen 3.331 N/A GLU 80.A N LEU 77.A O no hydrogen 3.041 N/A MET 81.A N LEU 77.A O no hydrogen 3.021 N/A PHE 82.A N SER 78.A O no hydrogen 2.953 N/A ASN 83.A N GLU 80.A O no hydrogen 3.252 N/A TYR 85.A N ASN 83.A OD1 no hydrogen 2.454 N/A TYR 86.A N ASN 83.A O no hydrogen 3.115 N/A GLU 90.A N GLN 100.A O no hydrogen 3.008 N/A SER 92.A N THR 98.A O no hydrogen 2.981 N/A SER 92.A OG THR 98.A OG1 no hydrogen 3.035 N/A ASN 96.A ND2 SER 92.A OG no hydrogen 3.379 N/A THR 98.A OG1 SER 92.A OG no hydrogen 3.035 N/A LEU 99.A N PHE 136.A O no hydrogen 2.567 N/A GLN 100.A N GLU 90.A O no hydrogen 2.995 N/A ASN 102.A N LEU 88.A O no hydrogen 3.363 N/A ASN 104.A N ASN 102.A OD1 no hydrogen 2.502 N/A SER 105.A N ASN 102.A O no hydrogen 2.945 N/A SER 105.A OG ASN 102.A O no hydrogen 3.192 N/A SER 105.A OG HIS 112.A ND1 no hydrogen 2.756 N/A CYS 108.A N SER 105.A O no hydrogen 3.069 N/A CYS 108.A SG ASN 104.A O no hydrogen 3.566 N/A ASN 109.A N SER 105.A O no hydrogen 3.230 N/A ASN 109.A ND2 TYR 86.A O no hydrogen 3.127 N/A HIS 112.A N ASN 109.A O no hydrogen 3.262 N/A HIS 112.A ND1 SER 105.A OG no hydrogen 2.756 N/A SER 114.A N ASP 111.A O no hydrogen 3.022 N/A SER 114.A OG TYR 38.A OH no hydrogen 2.684 N/A PHE 116.A N HIS 112.A O no hydrogen 2.967 N/A THR 117.A N LEU 113.A O no hydrogen 3.207 N/A THR 117.A OG1 LEU 113.A O no hydrogen 3.563 N/A THR 117.A OG1 SER 114.A O no hydrogen 2.710 N/A PHE 118.A N SER 114.A O no hydrogen 3.146 N/A ILE 119.A N TYR 115.A O no hydrogen 2.804 N/A GLY 120.A N PHE 116.A O no hydrogen 2.720 N/A ARG 121.A N THR 117.A O no hydrogen 2.520 N/A VAL 122.A N PHE 118.A O no hydrogen 2.893 N/A ALA 123.A N ILE 119.A O no hydrogen 2.815 N/A GLY 124.A N GLY 120.A O no hydrogen 2.992 N/A LEU 125.A N ARG 121.A O no hydrogen 2.931 N/A ALA 126.A N VAL 122.A O no hydrogen 2.840 N/A PHE 128.A N GLY 124.A O no hydrogen 2.905 N/A HIS 129.A N LEU 125.A O no hydrogen 3.159 N/A HIS 129.A NE2 LEU 50.A O no hydrogen 3.166 N/A GLY 130.A N VAL 127.A O no hydrogen 3.126 N/A LYS 131.A N ALA 126.A O no hydrogen 2.710 N/A LEU 133.A N MET 258.A O no hydrogen 2.854 N/A ASP 134.A N SER 78.A OG no hydrogen 2.959 N/A PHE 137.A N TYR 142.A OH no hydrogen 3.344 N/A ILE 138.A N LEU 99.A O no hydrogen 3.015 N/A ARG 139.A NH2 GLU 251.A OE2 no hydrogen 2.959 N/A PHE 141.A N ILE 138.A O no hydrogen 2.891 N/A LYS 143.A N ARG 139.A O no hydrogen 2.977 N/A LYS 143.A NZ GLN 149.A O no hydrogen 3.343 N/A LYS 143.A NZ ASP 154.A OD1 no hydrogen 2.680 N/A LYS 143.A NZ ASP 154.A OD2 no hydrogen 2.654 N/A MET 144.A N PRO 140.A O no hydrogen 2.772 N/A MET 144.A N PHE 141.A O no hydrogen 2.952 N/A MET 145.A N PHE 141.A O no hydrogen 3.278 N/A LEU 146.A N TYR 142.A O no hydrogen 3.062 N/A GLY 147.A N MET 144.A O no hydrogen 3.229 N/A LYS 148.A N LYS 143.A O no hydrogen 2.831 N/A LYS 148.A NZ GLU 251.A OE1 no hydrogen 3.177 N/A THR 151.A N ASP 154.A OD2 no hydrogen 2.925 N/A THR 151.A OG1 ASP 154.A OD2 no hydrogen 3.147 N/A ASP 154.A N THR 151.A O no hydrogen 2.932 N/A MET 155.A N LEU 152.A O no hydrogen 3.263 N/A SER 157.A OG ASP 154.A O no hydrogen 3.483 N/A SER 160.A OG GLU 156.A O no hydrogen 3.307 N/A TYR 162.A N ASP 159.A O no hydrogen 3.138 N/A TYR 163.A N ASP 159.A O no hydrogen 2.858 N/A ASN 164.A N SER 160.A O no hydrogen 2.864 N/A SER 165.A N GLU 161.A O no hydrogen 3.376 N/A SER 165.A OG GLU 161.A O no hydrogen 2.863 N/A LEU 166.A N TYR 162.A O no hydrogen 2.923 N/A LYS 167.A N TYR 163.A O no hydrogen 2.813 N/A LYS 167.A NZ TYR 163.A OH no hydrogen 3.013 N/A TRP 168.A N ASN 164.A O no hydrogen 2.838 N/A ILE 169.A N SER 165.A O no hydrogen 3.249 N/A LEU 170.A N LEU 166.A O no hydrogen 2.983 N/A GLU 171.A N LYS 167.A O no hydrogen 3.164 N/A GLU 171.A N TRP 168.A O no hydrogen 2.893 N/A ASN 172.A ND2 TRP 168.A O no hydrogen 3.534 N/A THR 175.A N ASP 173.A OD1 no hydrogen 3.183 N/A THR 175.A OG1 ASP 173.A OD1 no hydrogen 3.084 N/A LEU 177.A N PRO 174.A O no hydrogen 3.223 N/A PHE 181.A N ILE 203.A O no hydrogen 3.046 N/A CYS 182.A N MET 180.A O no hydrogen 2.701 N/A CYS 182.A SG GLN 193.A OE1 no hydrogen 3.350 N/A ILE 183.A N VAL 194.A O no hydrogen 2.702 N/A GLU 185.A N TYR 192.A O no hydrogen 2.852 N/A ASN 187.A N GLN 190.A O no hydrogen 3.134 N/A ASN 187.A ND2 GLN 190.A O no hydrogen 3.188 N/A GLN 190.A N ASN 187.A O no hydrogen 3.050 N/A GLN 190.A NE2 PHE 188.A O no hydrogen 2.394 N/A TYR 192.A N GLU 185.A O no hydrogen 2.748 N/A GLN 193.A NE2 ASP 184.A OD1 no hydrogen 3.498 N/A VAL 194.A N ILE 183.A O no hydrogen 3.058 N/A LEU 196.A N PHE 181.A O no hydrogen 2.904 N/A GLY 200.A N LYS 197.A O no hydrogen 2.915 N/A SER 201.A OG ASP 195.A OD2 no hydrogen 3.476 N/A GLU 202.A N ASN 199.A O no hydrogen 2.981 N/A ILE 203.A N GLY 200.A O no hydrogen 2.830 N/A VAL 205.A N LEU 179.A O no hydrogen 3.336 N/A THR 206.A N ASN 209.A OD1 no hydrogen 2.777 N/A THR 206.A OG1 ASN 209.A OD1 no hydrogen 3.265 N/A GLU 208.A N THR 206.A OG1 no hydrogen 2.724 N/A ASN 209.A N THR 206.A OG1 no hydrogen 3.309 N/A ASN 209.A ND2 MET 204.A O no hydrogen 3.268 N/A LYS 210.A NZ ASN 172.A O no hydrogen 3.146 N/A LYS 210.A NZ ASN 207.A OD1 no hydrogen 2.824 N/A TYR 213.A N ASN 209.A O no hydrogen 2.982 N/A ILE 214.A N LYS 210.A O no hydrogen 3.289 N/A ASP 215.A N ARG 211.A O no hydrogen 3.093 N/A LEU 216.A N GLU 212.A O no hydrogen 3.302 N/A VAL 217.A N TYR 213.A O no hydrogen 2.970 N/A ILE 218.A N ILE 214.A O no hydrogen 3.312 N/A GLN 219.A N ASP 215.A O no hydrogen 2.757 N/A TRP 220.A N LEU 216.A O no hydrogen 2.768 N/A ARG 221.A N VAL 217.A O no hydrogen 2.935 N/A PHE 222.A N ILE 218.A O no hydrogen 3.099 N/A VAL 223.A N GLN 219.A O no hydrogen 2.782 N/A ASN 224.A N GLN 219.A O no hydrogen 2.925 N/A ARG 225.A NH1 TRP 220.A O no hydrogen 2.924 N/A VAL 226.A N VAL 223.A O no hydrogen 3.425 N/A GLN 229.A N GLN 229.A OE1 no hydrogen 2.592 N/A GLN 229.A NE2 PRO 103.A O no hydrogen 3.686 N/A GLN 229.A NE2 SER 105.A OG no hydrogen 3.181 N/A GLN 229.A NE2 ARG 225.A O no hydrogen 3.564 N/A MET 230.A N VAL 226.A O no hydrogen 2.792 N/A ASN 231.A N GLN 227.A O no hydrogen 2.935 N/A ALA 232.A N LYS 228.A O no hydrogen 3.144 N/A PHE 233.A N GLN 229.A O no hydrogen 2.937 N/A LEU 234.A N MET 230.A O no hydrogen 3.315 N/A LEU 234.A N ASN 231.A O no hydrogen 3.167 N/A GLU 235.A N ASN 231.A O no hydrogen 2.874 N/A GLY 236.A N ALA 232.A O no hydrogen 3.103 N/A PHE 237.A N PHE 233.A O no hydrogen 2.992 N/A THR 238.A N LEU 234.A O no hydrogen 2.938 N/A THR 238.A OG1 LEU 234.A O no hydrogen 2.963 N/A THR 238.A OG1 GLU 235.A O no hydrogen 3.250 N/A GLU 239.A N GLY 236.A O no hydrogen 2.834 N/A LEU 241.A N PHE 237.A O no hydrogen 3.424 N/A LEU 245.A N PRO 242.A O no hydrogen 2.647 N/A LYS 247.A N ASP 244.A O no hydrogen 3.338 N/A PHE 249.A N ILE 246.A O no hydrogen 2.899 N/A ASP 250.A N GLU 253.A OE1 no hydrogen 2.795 N/A GLU 251.A N GLU 251.A OE1 no hydrogen 2.614 N/A GLU 253.A N ASP 250.A OD1 no hydrogen 2.966 N/A LEU 254.A N ASP 250.A O no hydrogen 2.690 N/A GLU 255.A N GLU 251.A O no hydrogen 3.266 N/A LEU 256.A N ASN 252.A O no hydrogen 3.031 N/A LEU 257.A N GLU 253.A O no hydrogen 2.718 N/A MET 258.A N LEU 254.A O no hydrogen 3.181 N/A MET 258.A N GLU 255.A O no hydrogen 3.336 N/A CYS 259.A N GLU 255.A O no hydrogen 2.789 N/A CYS 259.A SG GLY 135.A O no hydrogen 3.362 N/A CYS 259.A SG TYR 142.A OH no hydrogen 3.445 N/A ASP 268.A N ASP 265.A OD1 no hydrogen 2.969 N/A TRP 269.A N ASP 265.A O no hydrogen 3.267 N/A ARG 270.A N VAL 266.A O no hydrogen 3.056 N/A ARG 270.A NH1 ASN 267.A OD1 no hydrogen 3.390 N/A ARG 270.A NH2 ASN 267.A OD1 no hydrogen 3.131 N/A GLN 271.A N ASN 267.A O no hydrogen 2.944 N/A HIS 272.A N TRP 269.A O no hydrogen 2.920 N/A HIS 272.A ND1 ASP 268.A O no hydrogen 2.833 N/A SER 273.A OG TRP 269.A O no hydrogen 2.781 N/A SER 273.A OG ARG 270.A O no hydrogen 3.562 N/A ILE 274.A N PHE 331.A O no hydrogen 2.947 N/A LYS 276.A N ILE 333.A O no hydrogen 3.086 N/A ASN 277.A ND2 GLN 335.A O no hydrogen 2.513 N/A TYR 279.A OH LEU 354.A O no hydrogen 2.555 N/A HIS 283.A N CYS 280.A O no hydrogen 3.031 N/A VAL 285.A N HIS 283.A ND1 no hydrogen 2.970 N/A GLN 287.A N HIS 283.A O no hydrogen 2.744 N/A GLN 287.A NE2 PRO 281.A O no hydrogen 3.318 N/A TRP 288.A N PRO 284.A O no hydrogen 3.131 N/A PHE 289.A N VAL 285.A O no hydrogen 2.901 N/A TRP 290.A N ILE 286.A O no hydrogen 3.430 N/A TRP 290.A NE1 TYR 275.A OH no hydrogen 2.753 N/A ALA 292.A N TRP 288.A O no hydrogen 2.752 N/A ALA 292.A N PHE 289.A O no hydrogen 2.733 N/A VAL 293.A N PHE 289.A O no hydrogen 2.899 N/A LEU 294.A N TRP 290.A O no hydrogen 2.751 N/A LEU 295.A N ALA 292.A O no hydrogen 3.223 N/A MET 296.A N ALA 292.A O no hydrogen 3.140 N/A GLU 299.A N ASP 297.A OD2 no hydrogen 3.177 N/A LYS 300.A NZ GLU 299.A OE2 no hydrogen 2.502 N/A LYS 300.A NZ GLU 372.A OE1 no hydrogen 2.299 N/A ARG 301.A N ASP 297.A O no hydrogen 2.989 N/A ARG 301.A NE VAL 293.A O no hydrogen 2.948 N/A ARG 301.A NH2 VAL 293.A O no hydrogen 3.193 N/A ARG 301.A NH2 LEU 294.A O no hydrogen 2.960 N/A ILE 302.A N ALA 298.A O no hydrogen 3.058 N/A ARG 303.A N GLU 299.A O no hydrogen 2.950 N/A ARG 303.A NE VAL 371.A O no hydrogen 3.215 N/A ARG 303.A NH2 VAL 371.A O no hydrogen 3.262 N/A LEU 304.A N LYS 300.A O no hydrogen 3.014 N/A LEU 305.A N ARG 301.A O no hydrogen 2.967 N/A GLN 306.A N ILE 302.A O no hydrogen 2.872 N/A PHE 307.A N ARG 303.A O no hydrogen 2.684 N/A VAL 308.A N LEU 304.A O no hydrogen 3.205 N/A THR 309.A N LEU 305.A O no hydrogen 2.852 N/A THR 309.A OG1 LEU 305.A O no hydrogen 2.870 N/A GLY 310.A N GLN 306.A O no hydrogen 2.859 N/A THR 311.A N THR 309.A OG1 no hydrogen 3.297 N/A THR 311.A OG1 ASN 96.A O no hydrogen 3.273 N/A ARG 313.A N THR 311.A OG1 no hydrogen 3.282 N/A ARG 313.A NH2 GLU 255.A OE2 no hydrogen 2.752 N/A MET 316.A N TYR 91.A OH no hydrogen 3.318 N/A GLY 318.A N PRO 315.A O no hydrogen 3.390 N/A PHE 319.A N ASP 268.A OD2 no hydrogen 2.945 N/A GLU 321.A N GLY 318.A O no hydrogen 2.993 N/A TYR 323.A N TYR 97.A OH no hydrogen 2.605 N/A GLY 324.A N GLY 327.A O no hydrogen 2.563 N/A SER 325.A N SER 348.A O no hydrogen 3.163 N/A GLY 327.A N GLY 324.A O no hydrogen 3.202 N/A GLN 329.A N LEU 322.A O no hydrogen 2.940 N/A GLN 329.A NE2 LEU 330.A O no hydrogen 3.134 N/A GLN 329.A NE2 THR 332.A OG1 no hydrogen 3.270 N/A THR 332.A N ASN 350.A O no hydrogen 2.887 N/A THR 332.A OG1 LEU 330.A O no hydrogen 2.846 N/A THR 332.A OG1 PHE 349.A O no hydrogen 3.462 N/A ILE 333.A N ILE 274.A O no hydrogen 3.005 N/A GLU 334.A N LEU 352.A O no hydrogen 2.791 N/A GLN 335.A N LYS 276.A O no hydrogen 3.320 N/A GLN 335.A NE2 ASN 277.A O no hydrogen 3.012 N/A TRP 336.A N LEU 354.A O no hydrogen 3.415 N/A SER 338.A OG GLU 340.A OE1 no hydrogen 3.386 N/A ARG 344.A N ASP 353.A O no hydrogen 3.070 N/A HIS 346.A N ARG 351.A O no hydrogen 3.236 N/A HIS 346.A NE2 ASP 353.A OD2 no hydrogen 2.616 N/A PHE 349.A N HIS 346.A O no hydrogen 2.969 N/A ASN 350.A ND2 TYR 323.A O no hydrogen 2.846 N/A ASN 350.A ND2 GLN 329.A O no hydrogen 2.864 N/A ARG 351.A N HIS 346.A O no hydrogen 3.428 N/A ASP 353.A N ARG 344.A O no hydrogen 2.746 N/A LEU 354.A N GLU 334.A O no hydrogen 2.770 N/A TYR 357.A OH LYS 341.A O no hydrogen 2.863 N/A ASP 362.A N THR 359.A OG1 no hydrogen 2.684 N/A LEU 363.A N THR 359.A O no hydrogen 2.867 N/A ARG 364.A N PHE 360.A O no hydrogen 2.824 N/A GLU 365.A N GLU 361.A O no hydrogen 2.998 N/A LYS 366.A NZ GLU 340.A O no hydrogen 2.814 N/A LEU 367.A N LEU 363.A O no hydrogen 2.890 N/A LEU 368.A N ARG 364.A O no hydrogen 2.979 N/A MET 369.A N GLU 365.A O no hydrogen 3.283 N/A ALA 370.A N LYS 366.A O no hydrogen 3.205 N/A VAL 371.A N LEU 367.A O no hydrogen 2.955 N/A GLU 372.A N LEU 368.A O no hydrogen 3.319 N/A ASN 373.A N MET 369.A O no hydrogen 2.937 N/A ALA 374.A N GLU 372.A O no hydrogen 2.567 N/A