Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2aja_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N HIS 30.A O no hydrogen 2.736 N/A ASN 9.A N ASN 6.A O no hydrogen 2.673 N/A TYR 10.A N ILE 7.A O no hydrogen 2.898 N/A TYR 10.A OH ILE 19.A O no hydrogen 2.656 N/A GLU 11.A N ILE 7.A O no hydrogen 3.111 N/A ASP 13.A N TYR 10.A O no hydrogen 3.265 N/A GLN 15.A N ASP 13.A OD2 no hydrogen 2.824 N/A ARG 17.A N ASP 13.A O no hydrogen 3.156 N/A LEU 18.A N GLN 15.A O no hydrogen 2.910 N/A ILE 19.A N LEU 16.A O no hydrogen 2.900 N/A TRP 24.A N PRO 20.A O no hydrogen 3.058 N/A TRP 24.A NE1 ILE 4.A O no hydrogen 3.074 N/A GLU 25.A N TRP 21.A O no hydrogen 3.291 N/A GLU 25.A N ILE 22.A O no hydrogen 3.313 N/A ASN 26.A N ILE 22.A O no hydrogen 3.012 N/A LEU 27.A N LEU 23.A O no hydrogen 2.636 N/A PHE 28.A N LEU 23.A O no hydrogen 3.345 N/A HIS 30.A N TRP 24.A O no hydrogen 2.822 N/A PHE 31.A N PHE 28.A O no hydrogen 2.951 N/A ILE 32.A N LEU 2.A O no hydrogen 2.943 N/A SER 33.A N GLU 36.A OE2 no hydrogen 3.159 N/A ASN 35.A N SER 33.A OG no hydrogen 3.197 N/A LEU 37.A N SER 33.A O no hydrogen 3.168 N/A SER 38.A OG ALA 34.A O no hydrogen 3.475 N/A LEU 39.A N GLU 36.A O no hydrogen 3.082 N/A THR 40.A OG1 LEU 37.A O no hydrogen 3.363 N/A THR 40.A OG1 SER 38.A O no hydrogen 3.484 N/A LEU 41.A N SER 38.A O no hydrogen 3.324 N/A SER 42.A N GLU 45.A OE2 no hydrogen 3.420 N/A SER 42.A OG GLU 45.A OE2 no hydrogen 3.327 N/A TYR 43.A OH ASP 80.A OD2 no hydrogen 2.763 N/A GLU 45.A N SER 42.A OG no hydrogen 3.182 N/A ALA 46.A N SER 42.A O no hydrogen 3.082 N/A ILE 47.A N TYR 43.A O no hydrogen 3.217 N/A HIS 48.A N LYS 44.A O no hydrogen 3.034 N/A ILE 49.A N GLU 45.A O no hydrogen 3.022 N/A PHE 50.A N ALA 46.A O no hydrogen 2.686 N/A THR 54.A N GLU 57.A OE1 no hydrogen 2.869 N/A LYS 55.A N GLU 57.A OE1 no hydrogen 2.628 N/A ASN 56.A ND2 GLU 89.A OE2 no hydrogen 2.869 N/A ASN 56.A ND2 GLU 119.A OE2 no hydrogen 3.260 N/A VAL 59.A N ASN 56.A O no hydrogen 3.091 N/A ARG 60.A NH1 GLU 36.A OE2 no hydrogen 2.619 N/A ARG 60.A NH2 PHE 28.A O no hydrogen 3.271 N/A GLN 61.A N GLU 57.A O no hydrogen 3.191 N/A GLN 61.A NE2 LEU 51.A O no hydrogen 3.531 N/A LEU 62.A N GLN 58.A O no hydrogen 2.668 N/A LEU 63.A N VAL 59.A O no hydrogen 3.023 N/A CYS 64.A N GLN 61.A O no hydrogen 2.730 N/A CYS 64.A SG ARG 60.A O no hydrogen 2.869 N/A LEU 65.A N GLN 61.A O no hydrogen 3.147 N/A TYR 66.A N LEU 62.A O no hydrogen 3.047 N/A TYR 67.A N LEU 63.A O no hydrogen 3.125 N/A ALA 68.A N LEU 65.A O no hydrogen 3.285 N/A HIS 69.A N LEU 65.A O no hydrogen 2.765 N/A HIS 69.A N TYR 66.A O no hydrogen 3.284 N/A HIS 69.A NE2 LEU 39.A O no hydrogen 2.876 N/A TYR 70.A N TYR 66.A O no hydrogen 2.949 N/A ASN 73.A N ASN 71.A O no hydrogen 2.950 N/A LYS 75.A NZ TYR 70.A O no hydrogen 3.414 N/A LYS 75.A NZ ASN 71.A O no hydrogen 2.670 N/A GLN 76.A NE2 ASN 73.A O no hydrogen 2.833 N/A LEU 77.A N ALA 74.A O no hydrogen 2.901 N/A SER 79.A N GLN 76.A O no hydrogen 2.974 N/A ASP 80.A N GLN 76.A O no hydrogen 3.060 N/A ALA 81.A N LEU 77.A O no hydrogen 2.996 N/A HIS 82.A N TRP 78.A O no hydrogen 3.295 N/A LYS 83.A N SER 79.A O no hydrogen 3.105 N/A LYS 84.A N ASP 80.A O no hydrogen 2.925 N/A GLY 85.A N ALA 81.A O no hydrogen 3.282 N/A ILE 86.A N ALA 81.A O no hydrogen 3.207 N/A PHE 93.A N GLU 89.A O no hydrogen 3.015 N/A PHE 93.A N VAL 90.A O no hydrogen 3.271 N/A VAL 94.A N VAL 90.A O no hydrogen 3.173 N/A ALA 96.A N CYS 92.A O no hydrogen 3.347 N/A ILE 97.A N PHE 93.A O no hydrogen 2.984 N/A THR 98.A N VAL 94.A O no hydrogen 3.193 N/A THR 98.A OG1 VAL 94.A O no hydrogen 2.435 N/A GLY 99.A N ALA 95.A O no hydrogen 2.856 N/A CYS 100.A N THR 98.A OG1 no hydrogen 3.253 N/A CYS 100.A SG TYR 70.A OH no hydrogen 3.249 N/A ASP 105.A N SER 101.A O no hydrogen 2.914 N/A THR 106.A N ALA 103.A O no hydrogen 3.168 N/A THR 106.A OG1 SER 102.A O no hydrogen 3.140 N/A LEU 107.A N ALA 103.A O no hydrogen 3.495 N/A LEU 109.A N THR 106.A O no hydrogen 3.016 N/A TYR 121.A N GLN 117.A O no hydrogen 2.964 N/A TYR 121.A OH GLU 146.A OE1 no hydrogen 2.575 N/A GLN 122.A N ALA 118.A O no hydrogen 3.193 N/A ARG 125.A N TYR 121.A O no hydrogen 3.081 N/A ARG 125.A NE ASN 120.A O no hydrogen 3.489 N/A ARG 125.A NH2 GLU 119.A O no hydrogen 2.978 N/A LEU 126.A N GLN 122.A O no hydrogen 2.778 N/A ALA 127.A N ALA 123.A O no hydrogen 3.142 N/A ALA 128.A N PHE 124.A O no hydrogen 3.330 N/A GLU 129.A N ARG 125.A O no hydrogen 3.100 N/A ASN 130.A N LEU 126.A O no hydrogen 3.089 N/A ASN 130.A ND2 LEU 126.A O no hydrogen 2.707 N/A GLY 131.A N ALA 128.A O no hydrogen 3.094 N/A HIS 132.A N ALA 127.A O no hydrogen 2.908 N/A HIS 132.A NE2 ILE 97.A O no hydrogen 2.675 N/A LEU 133.A N GLY 131.A O no hydrogen 2.982 N/A HIS 134.A NE2 GLY 99.A O no hydrogen 2.645 N/A VAL 135.A N HIS 132.A O no hydrogen 3.090 N/A LEU 136.A N HIS 132.A O no hydrogen 3.049 N/A ASN 137.A N LEU 133.A O no hydrogen 2.999 N/A ARG 138.A N HIS 134.A O no hydrogen 3.235 N/A LEU 139.A N VAL 135.A O no hydrogen 3.041 N/A LEU 139.A N LEU 136.A O no hydrogen 3.124 N/A CYS 140.A N LEU 136.A O no hydrogen 3.268 N/A CYS 140.A SG LEU 136.A O no hydrogen 3.629 N/A GLU 141.A N ARG 138.A O no hydrogen 3.183 N/A LEU 142.A N ARG 138.A O no hydrogen 2.938 N/A GLU 146.A N PRO 144.A O no hydrogen 2.667 N/A ILE 147.A N PRO 144.A O no hydrogen 3.165 N/A TYR 154.A OH GLU 179.A OE2 no hydrogen 2.627 N/A HIS 155.A N ALA 151.A O no hydrogen 3.195 N/A ARG 158.A N TYR 154.A O no hydrogen 3.159 N/A ARG 158.A NE ASN 153.A O no hydrogen 2.707 N/A ARG 158.A NH2 GLU 152.A O no hydrogen 3.227 N/A ARG 158.A NH2 ASN 153.A O no hydrogen 3.496 N/A LEU 159.A N HIS 155.A O no hydrogen 2.789 N/A ALA 160.A N ALA 156.A O no hydrogen 2.980 N/A ALA 161.A N PHE 157.A O no hydrogen 2.842 N/A GLU 162.A N ARG 158.A O no hydrogen 2.941 N/A ASN 163.A N ALA 160.A O no hydrogen 3.341 N/A ASN 163.A ND2 LEU 159.A O no hydrogen 2.982 N/A GLY 164.A N ALA 161.A O no hydrogen 3.049 N/A HIS 165.A N ALA 160.A O no hydrogen 3.005 N/A HIS 165.A NE2 GLU 129.A O no hydrogen 2.750 N/A LEU 169.A N HIS 165.A O no hydrogen 3.211 N/A ASN 170.A N LEU 166.A O no hydrogen 2.787 N/A ARG 171.A N HIS 167.A O no hydrogen 3.374 N/A ARG 171.A NE ASN 137.A OD1 no hydrogen 2.840 N/A LEU 172.A N VAL 168.A O no hydrogen 3.295 N/A CYS 173.A N LEU 169.A O no hydrogen 3.084 N/A CYS 173.A SG LEU 169.A O no hydrogen 3.838 N/A GLU 174.A N ASN 170.A O no hydrogen 3.079 N/A GLU 174.A N ARG 171.A O no hydrogen 2.601 N/A LEU 175.A N ARG 171.A O no hydrogen 2.838 N/A THR 178.A OG1 GLU 179.A OE1 no hydrogen 2.775 N/A GLU 179.A N ALA 176.A O no hydrogen 2.956 N/A ALA 180.A N PRO 177.A O no hydrogen 3.039 N/A GLN 184.A N THR 181.A O no hydrogen 3.238 N/A GLN 184.A NE2 TYR 188.A OH no hydrogen 2.890 N/A ALA 185.A N ALA 182.A O no hydrogen 2.709 N/A TYR 188.A N GLN 184.A O no hydrogen 3.026 N/A TYR 189.A N ALA 185.A O no hydrogen 3.129 N/A TYR 189.A OH GLU 162.A OE1 no hydrogen 3.366 N/A ARG 192.A N TYR 188.A O no hydrogen 3.380 N/A ARG 192.A NE ASN 187.A O no hydrogen 2.673 N/A ARG 192.A NH2 GLU 186.A O no hydrogen 2.674 N/A ARG 192.A NH2 ASN 187.A O no hydrogen 2.945 N/A TRP 193.A N TYR 189.A O no hydrogen 3.050 N/A ALA 194.A N ALA 190.A O no hydrogen 2.996 N/A ALA 194.A N PHE 191.A O no hydrogen 3.217 N/A HIS 200.A N ALA 194.A O no hydrogen 2.720 N/A ASN 202.A ND2 GLY 164.A O no hydrogen 2.871 N/A VAL 203.A N HIS 200.A O no hydrogen 2.857 N/A ILE 204.A N HIS 200.A O no hydrogen 3.224 N/A ASN 205.A N HIS 201.A O no hydrogen 3.173 N/A PHE 206.A N ASN 202.A O no hydrogen 3.403 N/A LEU 207.A N VAL 203.A O no hydrogen 2.771 N/A LEU 208.A N ILE 204.A O no hydrogen 2.845 N/A ASP 209.A N PHE 206.A O no hydrogen 2.915 N/A CYS 210.A N LEU 207.A O no hydrogen 3.230 N/A ALA 214.A N PRO 211.A O no hydrogen 2.838 N/A TYR 215.A N VAL 212.A O no hydrogen 2.957 N/A GLU 217.A N LEU 213.A O no hydrogen 2.872 N/A HIS 219.A N ALA 216.A O no hydrogen 2.992 N/A GLU 222.A N GLU 222.A OE2 no hydrogen 2.700 N/A TYR 223.A N HIS 219.A O no hydrogen 2.848 N/A TYR 227.A OH ALA 195.A O no hydrogen 2.876 N/A ASN 229.A N GLY 224.A O no hydrogen 2.802 N/A PHE 231.A N TYR 227.A O no hydrogen 3.075 N/A ILE 232.A N VAL 228.A O no hydrogen 2.878 N/A ALA 233.A N ASN 229.A O no hydrogen 2.901 N/A ARG 234.A N PRO 230.A O no hydrogen 2.958 N/A HIS 235.A N PHE 231.A O no hydrogen 3.027 N/A HIS 235.A N ILE 232.A O no hydrogen 3.167 N/A VAL 236.A N ILE 232.A O no hydrogen 2.851 N/A ASN 237.A N ALA 233.A O no hydrogen 3.439 N/A LEU 239.A N HIS 235.A O no hydrogen 3.159 N/A LYS 240.A N VAL 236.A O no hydrogen 3.308 N/A LYS 240.A NZ ASP 282.A OD1 no hydrogen 3.015 N/A GLU 241.A N ARG 238.A O no hydrogen 3.130 N/A LYS 246.A N HIS 242.A O no hydrogen 3.105 N/A ASN 249.A N PHE 245.A O no hydrogen 2.515 N/A THR 258.A N GLU 261.A OE2 no hydrogen 3.200 N/A THR 258.A OG1 GLU 261.A OE2 no hydrogen 2.751 N/A GLU 261.A N THR 258.A O no hydrogen 3.093 N/A CYS 262.A N THR 258.A O no hydrogen 3.426 N/A CYS 262.A SG LEU 256.A O no hydrogen 4.005 N/A CYS 262.A SG THR 258.A O no hydrogen 3.615 N/A LEU 263.A N LYS 259.A O no hydrogen 3.126 N/A GLN 264.A N SER 260.A O no hydrogen 3.361 N/A GLY 265.A N GLU 261.A O no hydrogen 3.341 N/A PHE 266.A N CYS 262.A O no hydrogen 3.347 N/A TYR 267.A N LEU 263.A O no hydrogen 3.298 N/A TYR 267.A OH THR 300.A OG1 no hydrogen 3.088 N/A ARG 269.A N PHE 266.A O no hydrogen 2.766 N/A ARG 269.A NE GLU 217.A OE2 no hydrogen 2.616 N/A ARG 269.A NH2 GLU 217.A OE2 no hydrogen 2.707 N/A ASN 270.A N TYR 267.A O no hydrogen 2.954 N/A ILE 272.A N LEU 268.A O no hydrogen 3.025 N/A ARG 273.A N ARG 269.A O no hydrogen 2.681 N/A ARG 273.A NH1 GLU 217.A OE1 no hydrogen 2.753 N/A ARG 273.A NH1 GLU 217.A OE2 no hydrogen 2.967 N/A ARG 273.A NH2 GLU 217.A OE2 no hydrogen 2.819 N/A ARG 274.A N ASN 270.A O no hydrogen 2.869 N/A ASN 275.A N ILE 272.A O no hydrogen 2.751 N/A VAL 278.A N ASP 276.A OD1 no hydrogen 2.934 N/A LEU 279.A N ASP 276.A O no hydrogen 3.386 N/A LEU 280.A N GLU 277.A O no hydrogen 2.915 N/A ASP 282.A N LEU 279.A O no hydrogen 3.249 N/A ILE 283.A N LEU 279.A O no hydrogen 3.283 N/A ARG 284.A N LEU 280.A O no hydrogen 3.147 N/A PHE 285.A N ASP 281.A O no hydrogen 3.269 N/A LEU 286.A N ASP 282.A O no hydrogen 3.115 N/A LEU 286.A N ILE 283.A O no hydrogen 3.002 N/A LEU 287.A N ILE 283.A O no hydrogen 3.078 N/A SER 288.A OG PHE 285.A O no hydrogen 2.544 N/A ILE 289.A N LEU 286.A O no hydrogen 3.298 N/A ILE 292.A N ILE 289.A O no hydrogen 2.771 N/A LYS 293.A N ILE 289.A O no hydrogen 2.572 N/A LEU 295.A N ILE 292.A O no hydrogen 2.977 N/A ALA 296.A N LYS 293.A O no hydrogen 3.282 N/A THR 298.A OG1 LEU 295.A O no hydrogen 2.916 N/A THR 300.A N GLU 307.A OE1 no hydrogen 3.012 N/A THR 300.A OG1 TYR 267.A OH no hydrogen 3.088 N/A THR 300.A OG1 GLU 307.A OE1 no hydrogen 3.153 N/A ASP 304.A N ILE 301.A O no hydrogen 3.069 N/A ALA 305.A N ASP 304.A OD2 no hydrogen 2.667 N/A ASN 306.A ND2 ALA 296.A O no hydrogen 3.268 N/A GLU 307.A N THR 298.A O no hydrogen 3.428 N/A ARG 310.A NH1 ASP 304.A OD2 no hydrogen 3.403 N/A ARG 310.A NH1 ASN 306.A O no hydrogen 3.235 N/A ARG 310.A NH2 ASP 304.A OD2 no hydrogen 2.918 N/A LEU 311.A N GLU 307.A O no hydrogen 2.702 N/A ALA 312.A N LEU 308.A O no hydrogen 2.794 N/A LEU 313.A N LEU 309.A O no hydrogen 3.163 N/A ARG 314.A N ARG 310.A O no hydrogen 2.820 N/A LEU 315.A N LEU 311.A O no hydrogen 3.065 N/A GLY 316.A N ALA 312.A O no hydrogen 2.738 N/A ASN 317.A N ALA 312.A O no hydrogen 2.682 N/A ALA 320.A N ASN 317.A O no hydrogen 2.985 N/A CYS 321.A SG ASN 317.A O no hydrogen 3.328 N/A LEU 323.A N GLY 319.A O no hydrogen 3.334 N/A LEU 324.A N ALA 320.A O no hydrogen 3.039 N/A LEU 324.A N CYS 321.A O no hydrogen 2.764 N/A LEU 325.A N CYS 321.A O no hydrogen 2.843 N/A ILE 327.A N LEU 324.A O no hydrogen 2.838 N/A LEU 331.A N PRO 328.A O no hydrogen 2.761 N/A ALA 332.A N PRO 328.A O no hydrogen 2.751 N/A LEU 333.A N SER 329.A O no hydrogen 3.427 N/A