Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2va3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N SER 112.A OG no hydrogen 2.888 N/A VAL 3.A N SER 145.A O no hydrogen 2.923 N/A LEU 4.A N LEU 109.A O no hydrogen 2.864 N/A PHE 5.A N GLY 143.A O no hydrogen 2.643 N/A VAL 6.A N ALA 107.A O no hydrogen 2.848 N/A ASP 7.A N THR 141.A O no hydrogen 3.215 N/A PHE 8.A N ASP 105.A O no hydrogen 3.081 N/A ASP 9.A N THR 139.A O no hydrogen 3.146 N/A TYR 10.A OH GLU 17.A OE2 no hydrogen 2.985 N/A GLN 14.A N TYR 10.A O no hydrogen 2.691 N/A GLN 14.A NE2 ASP 9.A O no hydrogen 2.679 N/A GLN 14.A NE2 THR 139.A O no hydrogen 3.293 N/A VAL 15.A N PHE 11.A O no hydrogen 2.903 N/A GLU 16.A N TYR 12.A O no hydrogen 3.346 N/A GLU 17.A N ALA 13.A O no hydrogen 3.203 N/A VAL 18.A N VAL 15.A O no hydrogen 3.125 N/A LEU 19.A N VAL 15.A O no hydrogen 3.160 N/A LEU 23.A N ASN 20.A O no hydrogen 2.718 N/A LYS 24.A N PRO 21.A O no hydrogen 3.208 N/A LYS 24.A NZ TYR 10.A OH no hydrogen 3.497 N/A VAL 29.A N VAL 72.A O no hydrogen 3.015 N/A VAL 30.A N THR 45.A O no hydrogen 2.849 N/A CYS 31.A N LEU 74.A O no hydrogen 2.756 N/A CYS 31.A SG VAL 29.A O no hydrogen 3.650 N/A VAL 32.A N ALA 42.A O no hydrogen 3.113 N/A SER 34.A N SER 40.A O no hydrogen 3.365 N/A SER 34.A OG SER 40.A OG no hydrogen 2.619 N/A ARG 36.A NE LYS 252.A O no hydrogen 3.536 N/A ARG 36.A NH1 ASN 254.A OD1 no hydrogen 2.969 N/A ARG 36.A NH2 LYS 252.A O no hydrogen 3.493 N/A ARG 36.A NH2 ASN 254.A OD1 no hydrogen 2.673 N/A GLU 38.A N GLY 35.A O no hydrogen 3.056 N/A SER 40.A OG SER 34.A OG no hydrogen 2.619 N/A ALA 44.A N VAL 30.A O no hydrogen 2.723 N/A THR 45.A N VAL 30.A O no hydrogen 3.301 N/A ASN 47.A N VAL 28.A O no hydrogen 3.141 N/A ASN 47.A ND2 GLU 17.A OE1 no hydrogen 2.944 N/A ASN 47.A ND2 LYS 26.A O no hydrogen 2.785 N/A ALA 50.A N ASN 47.A O no hydrogen 3.088 N/A ALA 50.A N ASN 47.A OD1 no hydrogen 3.103 N/A ARG 51.A N ASN 47.A O no hydrogen 3.117 N/A ARG 51.A NE ALA 46.A O no hydrogen 2.810 N/A ARG 51.A NH2 THR 45.A OG1 no hydrogen 2.868 N/A LYS 52.A N TYR 48.A O no hydrogen 3.161 N/A PHE 53.A N ALA 50.A O no hydrogen 3.271 N/A GLY 54.A N ARG 51.A O no hydrogen 3.080 N/A LYS 56.A NZ GLY 54.A O no hydrogen 3.487 N/A GLY 58.A N VAL 43.A O no hydrogen 2.948 N/A ILE 59.A N LYS 56.A O no hydrogen 3.392 N/A ILE 61.A N GLY 41.A O no hydrogen 2.993 N/A ALA 64.A N ILE 61.A O no hydrogen 3.024 N/A LYS 65.A N ILE 61.A O no hydrogen 3.013 N/A LYS 65.A NZ ASP 39.A OD1 no hydrogen 2.926 N/A LYS 65.A NZ ASP 39.A OD2 no hydrogen 3.429 N/A LYS 66.A N VAL 62.A O no hydrogen 3.235 N/A LYS 66.A NZ GLU 63.A OE2 no hydrogen 3.319 N/A ILE 67.A N ALA 64.A O no hydrogen 3.059 N/A LEU 68.A N ALA 64.A O no hydrogen 2.912 N/A ALA 71.A N LEU 68.A O no hydrogen 2.964 N/A VAL 72.A N PRO 27.A O no hydrogen 2.978 N/A TYR 73.A OH LEU 68.A O no hydrogen 3.209 N/A LEU 74.A N VAL 29.A O no hydrogen 3.000 N/A MET 76.A N CYS 31.A O no hydrogen 3.147 N/A ARG 77.A N TYR 81.A OH no hydrogen 2.785 N/A ARG 77.A NH2 GLU 16.A OE1 no hydrogen 2.609 N/A VAL 80.A N ARG 77.A O no hydrogen 2.952 N/A TYR 81.A OH GLU 16.A OE2 no hydrogen 2.934 N/A GLN 82.A N LYS 78.A O no hydrogen 2.943 N/A GLN 82.A NE2 GLN 82.A O no hydrogen 2.983 N/A GLN 83.A N GLU 79.A O no hydrogen 3.337 N/A GLN 83.A N VAL 80.A O no hydrogen 3.180 N/A VAL 84.A N VAL 80.A O no hydrogen 3.183 N/A VAL 84.A N TYR 81.A O no hydrogen 3.240 N/A SER 85.A N TYR 81.A O no hydrogen 3.010 N/A SER 85.A OG ILE 104.A O no hydrogen 2.817 N/A SER 86.A N GLN 82.A O no hydrogen 3.224 N/A SER 86.A OG GLN 82.A O no hydrogen 2.707 N/A ARG 87.A N GLN 83.A O no hydrogen 3.242 N/A ARG 87.A NE GLU 136.A OE1 no hydrogen 3.048 N/A ARG 87.A NH2 GLU 136.A OE1 no hydrogen 3.463 N/A ILE 88.A N VAL 84.A O no hydrogen 2.943 N/A MET 89.A N SER 85.A O no hydrogen 2.705 N/A ASN 90.A N SER 86.A O no hydrogen 2.838 N/A LEU 92.A N MET 89.A O no hydrogen 2.810 N/A ARG 93.A NE ASN 90.A OD1 no hydrogen 3.013 N/A ARG 93.A NH2 ASN 90.A OD1 no hydrogen 2.617 N/A GLU 94.A N LEU 91.A O no hydrogen 3.434 N/A TYR 95.A N LEU 92.A O no hydrogen 2.712 N/A SER 96.A N ARG 93.A O no hydrogen 3.227 N/A SER 96.A OG LYS 98.A O no hydrogen 3.436 N/A SER 96.A OG ASP 110.A O no hydrogen 2.437 N/A LYS 98.A N SER 96.A OG no hydrogen 3.066 N/A GLU 100.A N TYR 108.A O no hydrogen 2.812 N/A SER 103.A N GLU 106.A O no hydrogen 3.055 N/A SER 103.A OG ASP 105.A OD1 no hydrogen 3.076 N/A ILE 104.A N SER 103.A OG no hydrogen 2.689 N/A ALA 107.A N VAL 6.A O no hydrogen 3.042 N/A TYR 108.A N GLU 100.A O no hydrogen 2.960 N/A LEU 109.A N LEU 4.A O no hydrogen 2.771 N/A ASP 110.A N LYS 98.A O no hydrogen 2.703 N/A ILE 111.A N ILE 2.A O no hydrogen 3.064 N/A SER 112.A N ASP 110.A OD1 no hydrogen 3.271 N/A SER 112.A OG ASP 110.A OD1 no hydrogen 3.068 N/A ARG 116.A NE LYS 114.A O no hydrogen 3.129 N/A TYR 118.A OH ASP 168.A OD1 no hydrogen 3.336 N/A GLU 120.A N ASP 117.A O no hydrogen 2.700 N/A ALA 121.A N ASP 117.A O no hydrogen 2.823 N/A TYR 122.A N TYR 118.A O no hydrogen 2.616 N/A LEU 124.A N GLU 120.A O no hydrogen 2.736 N/A LEU 124.A N ALA 121.A O no hydrogen 3.000 N/A GLY 125.A N TYR 122.A O no hydrogen 2.682 N/A LEU 126.A N TYR 122.A O no hydrogen 3.023 N/A GLU 127.A N ASN 123.A O no hydrogen 3.354 N/A ILE 128.A N LEU 124.A O no hydrogen 3.301 N/A LYS 129.A N GLY 125.A O no hydrogen 3.230 N/A LYS 129.A NZ VAL 140.A O no hydrogen 2.668 N/A LYS 129.A NZ ASN 161.A OD1 no hydrogen 2.580 N/A ASN 130.A N LEU 126.A O no hydrogen 3.087 N/A LYS 131.A N GLU 127.A O no hydrogen 2.902 N/A ILE 132.A N ILE 128.A O no hydrogen 2.906 N/A LEU 133.A N LYS 129.A O no hydrogen 2.989 N/A GLU 134.A N ASN 130.A O no hydrogen 2.885 N/A LYS 135.A N LYS 131.A O no hydrogen 2.908 N/A GLU 136.A N ILE 132.A O no hydrogen 2.955 N/A THR 139.A N GLN 14.A OE1 no hydrogen 2.666 N/A THR 139.A OG1 ASP 9.A OD2 no hydrogen 3.534 N/A THR 139.A OG1 GLN 14.A OE1 no hydrogen 2.818 N/A THR 141.A N ASP 7.A O no hydrogen 3.088 N/A THR 141.A OG1 ASP 9.A OD1 no hydrogen 3.297 N/A VAL 142.A N GLY 162.A O no hydrogen 2.918 N/A GLY 143.A N PHE 5.A O no hydrogen 2.845 N/A ILE 144.A N LYS 164.A O no hydrogen 3.238 N/A SER 145.A N VAL 3.A O no hydrogen 3.119 N/A SER 145.A OG ILE 166.A O no hydrogen 2.736 N/A ASN 147.A ND2 TYR 233.A O no hydrogen 3.314 N/A LYS 148.A NZ PRO 236.A O no hydrogen 3.189 N/A PHE 150.A N ASN 147.A OD1 no hydrogen 2.883 N/A ALA 151.A N ASN 147.A O no hydrogen 3.130 N/A LYS 152.A N LYS 148.A O no hydrogen 2.636 N/A ILE 153.A N VAL 149.A O no hydrogen 2.937 N/A ALA 154.A N PHE 150.A O no hydrogen 2.681 N/A ALA 155.A N ALA 151.A O no hydrogen 3.125 N/A ASP 156.A N ILE 153.A O no hydrogen 2.546 N/A LYS 159.A NZ ASP 7.A OD2 no hydrogen 3.044 N/A ASN 161.A N ASP 9.A OD1 no hydrogen 3.068 N/A ASN 161.A N ASP 9.A OD2 no hydrogen 2.621 N/A GLY 162.A N THR 141.A OG1 no hydrogen 3.198 N/A LYS 164.A N VAL 142.A O no hydrogen 3.050 N/A ILE 166.A N ILE 144.A O no hydrogen 2.924 N/A GLU 170.A N ASP 167.A O no hydrogen 2.474 N/A VAL 171.A N ASP 167.A O no hydrogen 3.093 N/A LYS 172.A N ASP 168.A O no hydrogen 3.283 N/A ARG 173.A N GLU 170.A O no hydrogen 2.927 N/A ARG 173.A NH1 GLU 177.A OE1 no hydrogen 3.407 N/A LEU 174.A N GLU 170.A O no hydrogen 3.066 N/A ILE 175.A N VAL 171.A O no hydrogen 2.989 N/A ARG 176.A N ARG 173.A O no hydrogen 3.232 N/A GLU 177.A N ARG 173.A O no hydrogen 2.785 N/A ASP 182.A N ASP 179.A O no hydrogen 2.795 N/A ILE 186.A N VAL 183.A O no hydrogen 3.073 N/A ALA 191.A N GLY 187.A O no hydrogen 2.744 N/A GLU 192.A N ASN 188.A O no hydrogen 2.689 N/A LYS 193.A N ILE 189.A O no hydrogen 3.035 N/A LEU 194.A N THR 190.A O no hydrogen 3.107 N/A LYS 195.A N ALA 191.A O no hydrogen 3.339 N/A LYS 195.A NZ ASN 200.A OD1 no hydrogen 2.738 N/A LYS 196.A N GLU 192.A O no hydrogen 3.139 N/A LEU 197.A N LEU 194.A O no hydrogen 2.855 N/A ILE 199.A N LEU 194.A O no hydrogen 3.267 N/A ASN 200.A N ASP 204.A OD2 no hydrogen 3.305 N/A THR 205.A N LEU 202.A O no hydrogen 3.293 N/A THR 205.A OG1 LEU 202.A O no hydrogen 2.771 N/A SER 207.A N ASP 204.A O no hydrogen 3.416 N/A SER 207.A OG ASP 204.A O no hydrogen 2.680 N/A ILE 208.A N THR 205.A O no hydrogen 3.408 N/A LYS 212.A N GLU 209.A O no hydrogen 3.227 N/A LYS 214.A N PHE 210.A O no hydrogen 2.980 N/A MET 216.A N LYS 212.A O no hydrogen 3.191 N/A MET 216.A N LEU 213.A O no hydrogen 3.069 N/A ILE 217.A N LEU 213.A O no hydrogen 2.936 N/A GLY 218.A N LEU 213.A O no hydrogen 3.254 N/A LYS 221.A NZ GLY 185.A O no hydrogen 3.434 N/A ALA 222.A N GLY 218.A O no hydrogen 2.971 N/A LYS 223.A N GLU 219.A O no hydrogen 2.757 N/A TYR 224.A N ALA 220.A O no hydrogen 3.038 N/A TYR 224.A OH PRO 184.A O no hydrogen 2.665 N/A LEU 225.A N LYS 221.A O no hydrogen 3.260 N/A ILE 226.A N ALA 222.A O no hydrogen 2.978 N/A SER 227.A N LYS 223.A O no hydrogen 2.804 N/A SER 227.A OG LYS 223.A O no hydrogen 3.349 N/A SER 227.A OG TYR 224.A O no hydrogen 2.802 N/A LEU 228.A N TYR 224.A O no hydrogen 3.114 N/A ALA 229.A N LEU 225.A O no hydrogen 2.952 N/A ARG 230.A N ILE 226.A O no hydrogen 2.796 N/A ARG 230.A N SER 227.A O no hydrogen 2.980 N/A ARG 230.A NH1 GLU 232.A OE2 no hydrogen 3.360 N/A ASP 231.A N SER 227.A O no hydrogen 2.900 N/A ASP 231.A N LEU 228.A O no hydrogen 3.168 N/A GLU 232.A N SER 227.A O no hydrogen 3.000 N/A ILE 245.A N PHE 337.A O no hydrogen 2.880 N/A ARG 247.A N VAL 335.A O no hydrogen 3.326 N/A VAL 249.A N ILE 333.A O no hydrogen 2.862 N/A MET 251.A N ARG 331.A O no hydrogen 3.380 N/A LYS 252.A N TYR 264.A OH no hydrogen 2.763 N/A SER 255.A N ILE 330.A O no hydrogen 3.218 N/A SER 255.A OG ASN 257.A O no hydrogen 3.528 N/A ARG 256.A NE GLU 327.A O no hydrogen 2.591 N/A ARG 256.A NE ARG 328.A O no hydrogen 3.359 N/A ASN 257.A N SER 255.A OG no hydrogen 3.176 N/A GLU 260.A N ASN 257.A O no hydrogen 3.267 N/A GLU 260.A N ASN 257.A OD1 no hydrogen 2.877 N/A ILE 261.A N LEU 258.A O no hydrogen 2.826 N/A LYS 262.A N LEU 258.A O no hydrogen 2.952 N/A LYS 262.A NZ GLU 259.A OE2 no hydrogen 2.546 N/A LEU 265.A N ILE 261.A O no hydrogen 3.168 N/A PHE 266.A N LYS 262.A O no hydrogen 2.845 N/A ARG 267.A N PRO 263.A O no hydrogen 3.173 N/A ARG 267.A N TYR 264.A O no hydrogen 3.020 N/A ALA 268.A N TYR 264.A O no hydrogen 3.252 N/A ILE 269.A N LEU 265.A O no hydrogen 3.109 N/A GLU 270.A N PHE 266.A O no hydrogen 2.972 N/A GLU 271.A N ARG 267.A O no hydrogen 2.786 N/A SER 272.A N ALA 268.A O no hydrogen 2.872 N/A SER 272.A OG ALA 268.A O no hydrogen 2.702 N/A TYR 273.A N ILE 269.A O no hydrogen 2.889 N/A TYR 273.A N GLU 270.A O no hydrogen 2.894 N/A TYR 273.A OH ILE 306.A O no hydrogen 2.450 N/A TYR 274.A N GLU 270.A O no hydrogen 3.131 N/A LYS 275.A N GLU 271.A O no hydrogen 3.245 N/A LYS 275.A NZ GLY 246.A O no hydrogen 3.228 N/A LEU 276.A N SER 272.A O no hydrogen 2.905 N/A ASP 277.A N TYR 273.A O no hydrogen 3.495 N/A LYS 282.A N SER 338.A O no hydrogen 3.233 N/A LYS 282.A N LYS 339.A O no hydrogen 3.300 N/A LYS 282.A NZ PHE 302.A O no hydrogen 3.528 N/A ALA 283.A N SER 338.A O no hydrogen 3.269 N/A ILE 284.A N ARG 300.A O no hydrogen 2.991 N/A HIS 285.A N ARG 336.A O no hydrogen 2.769 N/A VAL 286.A N ARG 298.A O no hydrogen 2.775 N/A VAL 287.A N GLY 334.A O no hydrogen 2.937 N/A ALA 288.A N VAL 296.A O no hydrogen 2.747 N/A VAL 289.A N ARG 332.A O no hydrogen 2.885 N/A THR 290.A N ASP 294.A O no hydrogen 2.692 N/A THR 290.A OG1 ASP 292.A OD2 no hydrogen 2.568 N/A THR 290.A OG1 ASP 294.A O no hydrogen 3.222 N/A GLU 291.A N LYS 329.A O no hydrogen 2.747 N/A ASP 294.A N THR 290.A OG1 no hydrogen 3.087 N/A VAL 296.A N ALA 288.A O no hydrogen 2.826 N/A ARG 298.A N VAL 286.A O no hydrogen 3.021 N/A ARG 298.A NE GLU 325.A OE2 no hydrogen 3.140 N/A ARG 298.A NH1 SER 297.A O no hydrogen 2.655 N/A ARG 298.A NH2 GLU 325.A OE2 no hydrogen 2.910 N/A ARG 300.A N ILE 284.A O no hydrogen 2.906 N/A PHE 302.A N LYS 282.A O no hydrogen 2.694 N/A HIS 304.A ND1 GLY 305.A O no hydrogen 2.484 N/A ILE 306.A N PRO 281.A O no hydrogen 2.669 N/A SER 307.A OG THR 310.A OG1 no hydrogen 2.693 N/A THR 310.A N SER 307.A OG no hydrogen 3.219 N/A THR 310.A OG1 SER 307.A OG no hydrogen 2.693 N/A ALA 311.A N SER 307.A O no hydrogen 2.960 N/A TYR 312.A N LYS 308.A O no hydrogen 3.107 N/A TYR 312.A OH GLU 270.A OE2 no hydrogen 2.638 N/A SER 313.A N GLU 309.A O no hydrogen 3.225 N/A SER 313.A OG THR 310.A O no hydrogen 3.470 N/A GLU 314.A N THR 310.A O no hydrogen 2.838 N/A SER 315.A N ALA 311.A O no hydrogen 2.755 N/A SER 315.A OG ALA 311.A O no hydrogen 3.232 N/A SER 315.A OG TYR 312.A O no hydrogen 2.755 N/A VAL 316.A N TYR 312.A O no hydrogen 3.226 N/A LYS 317.A N SER 313.A O no hydrogen 3.405 N/A LEU 318.A N GLU 314.A O no hydrogen 3.030 N/A LEU 319.A N SER 315.A O no hydrogen 2.844 N/A GLN 320.A N VAL 316.A O no hydrogen 3.016 N/A LYS 321.A N LYS 317.A O no hydrogen 2.917 N/A LYS 321.A NZ GLU 325.A OE1 no hydrogen 3.438 N/A LYS 321.A NZ GLU 325.A OE2 no hydrogen 3.364 N/A ILE 322.A N LEU 318.A O no hydrogen 2.977 N/A LEU 323.A N LEU 319.A O no hydrogen 2.901 N/A GLU 324.A N GLN 320.A O no hydrogen 3.050 N/A GLU 325.A N LYS 321.A O no hydrogen 3.109 N/A ASP 326.A N ILE 322.A O no hydrogen 2.859 N/A ARG 328.A N ASP 326.A OD1 no hydrogen 3.190 N/A ARG 328.A NE ASP 326.A OD1 no hydrogen 2.985 N/A ARG 328.A NH1 ASP 292.A OD1 no hydrogen 3.344 N/A ARG 328.A NH1 ASP 294.A OD2 no hydrogen 3.426 N/A ARG 328.A NH2 ASP 294.A OD2 no hydrogen 2.699 N/A ARG 328.A NH2 ASP 326.A OD2 no hydrogen 3.286 N/A LYS 329.A N GLU 291.A OE2 no hydrogen 3.080 N/A ILE 330.A N SER 255.A O no hydrogen 2.826 N/A ARG 331.A N VAL 289.A O no hydrogen 2.725 N/A ARG 332.A N VAL 289.A O no hydrogen 3.241 N/A ILE 333.A N VAL 249.A O no hydrogen 3.051 N/A GLY 334.A N VAL 287.A O no hydrogen 2.792 N/A VAL 335.A N ARG 247.A O no hydrogen 3.361 N/A ARG 336.A N HIS 285.A O no hydrogen 2.537 N/A ARG 336.A NE SER 244.A OG no hydrogen 2.649 N/A PHE 337.A N ILE 245.A O no hydrogen 2.764 N/A SER 338.A N ALA 283.A O no hydrogen 3.180 N/A LYS 339.A NZ THR 301.A OG1 no hydrogen 2.941 N/A