Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a1s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N SER 78.A O no hydrogen 2.593 N/A ILE 3.A N ASN 80.A O no hydrogen 3.011 N/A ARG 5.A N ASN 120.A O no hydrogen 3.390 N/A ARG 5.A NE GLY 121.A O no hydrogen 3.077 N/A ARG 5.A NH2 GLY 121.A O no hydrogen 3.360 N/A SER 6.A OG ASN 120.A OD1 no hydrogen 3.381 N/A LYS 9.A NZ GLU 228.A OE2 no hydrogen 2.719 N/A SER 10.A OG ASN 7.A O no hydrogen 3.503 N/A ASN 11.A N PHE 8.A O no hydrogen 2.981 N/A ASN 11.A ND2 ASN 7.A O no hydrogen 2.907 N/A LEU 12.A N LYS 9.A O no hydrogen 3.285 N/A LYS 14.A NZ ASN 11.A OD1 no hydrogen 3.112 N/A VAL 15.A N ASN 11.A O no hydrogen 3.128 N/A TYR 16.A N LEU 12.A O no hydrogen 2.884 N/A GLN 17.A N HIS 13.A O no hydrogen 2.971 N/A GLN 17.A NE2 GLU 21.A OE1 no hydrogen 3.102 N/A GLN 17.A NE2 GLU 21.A OE2 no hydrogen 3.056 N/A ALA 18.A N LYS 14.A O no hydrogen 2.914 N/A ILE 19.A N VAL 15.A O no hydrogen 3.056 N/A GLU 20.A N TYR 16.A O no hydrogen 3.139 N/A GLU 21.A N GLN 17.A O no hydrogen 3.224 N/A ASP 23.A N PHE 65.A O no hydrogen 2.881 N/A PHE 25.A N LEU 249.A O no hydrogen 2.780 N/A ALA 26.A N CYS 63.A O no hydrogen 2.931 N/A ILE 27.A N ILE 251.A O no hydrogen 3.063 N/A ASP 28.A N GLY 61.A O no hydrogen 2.924 N/A GLY 29.A N ASP 258.A OD1 no hydrogen 2.874 N/A GLU 30.A N GLN 59.A O no hydrogen 2.926 N/A SER 32.A N LEU 56.A O no hydrogen 2.827 N/A SER 32.A OG VAL 98.A O no hydrogen 2.458 N/A ILE 34.A N GLN 100.A OE1 no hydrogen 2.966 N/A SER 35.A N GLN 100.A OE1 no hydrogen 3.066 N/A SER 35.A OG ASP 36.A O no hydrogen 3.185 N/A ASP 36.A N HIS 51.A O no hydrogen 3.261 N/A GLY 37.A N ASP 39.A OD1 no hydrogen 2.951 N/A THR 40.A N GLU 43.A OE2 no hydrogen 2.917 N/A GLU 43.A N THR 40.A OG1 no hydrogen 3.193 N/A ARG 44.A N THR 40.A O no hydrogen 2.772 N/A TYR 45.A N PRO 41.A O no hydrogen 2.826 N/A TYR 45.A OH PRO 271.A O no hydrogen 2.637 N/A GLN 46.A N GLU 42.A O no hydrogen 2.881 N/A LYS 47.A N GLU 43.A O no hydrogen 3.161 N/A LYS 47.A NZ ASP 39.A OD2 no hydrogen 2.629 N/A LEU 48.A N ARG 44.A O no hydrogen 2.680 N/A LYS 49.A N TYR 45.A O no hydrogen 2.865 N/A LYS 49.A NZ PRO 271.A O no hydrogen 3.153 N/A LYS 50.A N GLN 46.A O no hydrogen 3.224 N/A HIS 51.A N LYS 47.A O no hydrogen 3.102 N/A SER 52.A N LEU 48.A O no hydrogen 2.981 N/A SER 52.A OG ILE 34.A O no hydrogen 2.720 N/A PHE 55.A N SER 52.A O no hydrogen 3.113 N/A LEU 56.A N SER 32.A OG no hydrogen 3.156 N/A PHE 58.A N GLU 30.A O no hydrogen 2.959 N/A GLN 59.A N GLU 30.A O no hydrogen 3.412 N/A PHE 60.A N PHE 81.A O no hydrogen 2.811 N/A GLY 61.A N ASP 28.A O no hydrogen 2.744 N/A LEU 62.A N PHE 79.A O no hydrogen 3.119 N/A CYS 63.A N ALA 26.A O no hydrogen 2.839 N/A CYS 63.A SG LYS 77.A O no hydrogen 3.669 N/A THR 64.A N LYS 77.A O no hydrogen 2.870 N/A THR 64.A OG1 LYS 77.A O no hydrogen 3.362 N/A PHE 65.A N PHE 24.A O no hydrogen 3.152 N/A LYS 66.A N ILE 75.A O no hydrogen 2.991 N/A TYR 67.A N ASP 23.A OD2 no hydrogen 2.844 N/A ASP 68.A N LYS 73.A O no hydrogen 2.789 N/A ASP 71.A N ASP 68.A OD1 no hydrogen 3.187 N/A LYS 73.A N ASP 68.A O no hydrogen 3.116 N/A LYS 73.A NZ GLU 327.A OE1 no hydrogen 3.450 N/A TYR 74.A N LYS 325.A O no hydrogen 2.823 N/A ILE 75.A N LYS 66.A O no hydrogen 2.939 N/A THR 76.A N GLU 327.A O no hydrogen 2.947 N/A LYS 77.A N THR 64.A O no hydrogen 3.243 N/A LYS 77.A NZ GLU 21.A OE1 no hydrogen 3.313 N/A PHE 79.A N LEU 62.A O no hydrogen 2.808 N/A ASN 80.A N MET 1.A O no hydrogen 3.045 N/A ASN 80.A ND2 GLU 2.A OE2 no hydrogen 3.020 N/A ASN 80.A ND2 GLU 339.A OE1 no hydrogen 3.187 N/A PHE 81.A N PHE 60.A O no hydrogen 2.841 N/A TYR 82.A N ILE 3.A O no hydrogen 3.213 N/A TYR 82.A OH GLU 2.A OE1 no hydrogen 2.508 N/A VAL 83.A N PHE 58.A O no hydrogen 3.000 N/A PHE 84.A N ILE 122.A O no hydrogen 3.168 N/A SER 92.A OG PRO 87.A O no hydrogen 3.275 N/A LYS 96.A NZ ASP 94.A O no hydrogen 3.362 N/A VAL 98.A N ASP 54.A O no hydrogen 2.864 N/A GLN 100.A N SER 32.A O no hydrogen 2.725 N/A ILE 104.A N GLN 100.A O no hydrogen 2.955 N/A ASP 105.A N SER 101.A O no hydrogen 2.981 N/A PHE 106.A N SER 102.A O no hydrogen 3.264 N/A LEU 107.A N SER 103.A O no hydrogen 3.233 N/A ALA 108.A N ILE 104.A O no hydrogen 3.062 N/A SER 109.A N ASP 105.A O no hydrogen 3.006 N/A SER 109.A OG PHE 106.A O no hydrogen 2.802 N/A GLN 110.A N LEU 107.A O no hydrogen 3.188 N/A GLN 110.A NE2 SER 109.A OG no hydrogen 3.009 N/A GLY 111.A N ALA 108.A O no hydrogen 3.265 N/A PHE 112.A N LEU 107.A O no hydrogen 3.131 N/A ASN 115.A N ASP 113.A OD1 no hydrogen 2.971 N/A LYS 116.A N ASP 113.A O no hydrogen 2.916 N/A LYS 116.A NZ GLU 2.A OE1 no hydrogen 3.411 N/A PHE 118.A N PHE 114.A O no hydrogen 2.922 N/A ARG 119.A N ASN 115.A O no hydrogen 2.893 N/A ASN 120.A ND2 SER 6.A OG no hydrogen 3.288 N/A ASN 120.A ND2 ASN 120.A O no hydrogen 2.682 N/A ILE 122.A N TYR 82.A O no hydrogen 2.739 N/A LEU 125.A N VAL 234.A O no hydrogen 3.285 N/A LEU 125.A N SER 237.A OG no hydrogen 3.173 N/A GLN 127.A N TYR 267.A O no hydrogen 2.756 N/A GLU 129.A N ASN 126.A OD1 no hydrogen 3.079 N/A GLU 130.A N ASN 126.A O no hydrogen 2.988 N/A GLU 130.A N GLN 127.A O no hydrogen 3.199 N/A ARG 131.A N GLN 127.A O no hydrogen 2.865 N/A GLN 132.A N GLU 128.A O no hydrogen 2.858 N/A LEU 133.A N GLU 129.A O no hydrogen 3.215 N/A GLN 143.A N PRO 140.A O no hydrogen 2.960 N/A LYS 144.A N GLU 141.A O no hydrogen 3.264 N/A LYS 144.A NZ ILE 139.A O no hydrogen 2.606 N/A PHE 146.A N GLN 143.A O no hydrogen 3.024 N/A ILE 147.A N GLN 143.A O no hydrogen 3.008 N/A ASP 148.A N LYS 144.A O no hydrogen 3.054 N/A GLN 149.A N LYS 145.A O no hydrogen 3.244 N/A VAL 150.A N PHE 146.A O no hydrogen 3.174 N/A VAL 151.A N ILE 147.A O no hydrogen 2.782 N/A GLU 152.A N ASP 148.A O no hydrogen 3.052 N/A LYS 153.A N GLN 149.A O no hydrogen 3.322 N/A LYS 153.A NZ GLN 149.A O no hydrogen 3.419 N/A ILE 154.A N VAL 150.A O no hydrogen 3.457 N/A GLU 155.A N VAL 151.A O no hydrogen 3.138 N/A ASP 156.A N GLU 152.A O no hydrogen 2.864 N/A LEU 157.A N ILE 154.A O no hydrogen 3.257 N/A LEU 158.A N ILE 154.A O no hydrogen 2.976 N/A LEU 158.A N GLU 155.A O no hydrogen 3.356 N/A SER 160.A N LEU 157.A O no hydrogen 3.399 N/A SER 160.A OG GLU 161.A O no hydrogen 3.519 N/A LYS 164.A N GLU 162.A O no hydrogen 3.239 N/A LEU 168.A N ILE 205.A O no hydrogen 3.174 N/A CYS 171.A SG THR 172.A O no hydrogen 3.857 N/A THR 172.A N GLN 175.A OE1 no hydrogen 2.900 N/A ARG 176.A N THR 172.A O no hydrogen 2.802 N/A LYS 177.A N GLY 173.A O no hydrogen 2.971 N/A LEU 178.A N PHE 174.A O no hydrogen 3.008 N/A ILE 179.A N GLN 175.A O no hydrogen 2.668 N/A TYR 180.A N ARG 176.A O no hydrogen 3.478 N/A TYR 180.A OH THR 195.A OG1 no hydrogen 2.407 N/A GLN 181.A N LYS 177.A O no hydrogen 2.862 N/A THR 182.A N LEU 178.A O no hydrogen 3.033 N/A THR 182.A N ILE 179.A O no hydrogen 3.104 N/A THR 182.A OG1 LEU 178.A O no hydrogen 3.357 N/A LEU 183.A N ILE 179.A O no hydrogen 3.060 N/A TRP 185.A N THR 182.A O no hydrogen 2.985 N/A LYS 186.A N THR 182.A O no hydrogen 3.131 N/A TYR 187.A OH VAL 151.A O no hydrogen 2.955 N/A TYR 187.A OH GLU 155.A OE1 no hydrogen 2.910 N/A GLU 194.A N VAL 206.A O no hydrogen 3.054 N/A THR 195.A OG1 TYR 180.A OH no hydrogen 2.407 N/A THR 198.A N GLU 202.A O no hydrogen 3.181 N/A LYS 201.A N THR 198.A O no hydrogen 2.904 N/A TYR 204.A N LEU 196.A O no hydrogen 3.200 N/A VAL 206.A N GLU 194.A O no hydrogen 2.937 N/A ILE 207.A N LEU 166.A O no hydrogen 3.287 N/A SER 208.A OG LYS 164.A O no hydrogen 2.655 N/A LYS 209.A N ILE 207.A O no hydrogen 2.578 N/A LYS 209.A NZ ASN 163.A O no hydrogen 2.605 N/A LYS 216.A NZ ARG 215.A O no hydrogen 3.126 N/A ARG 218.A N GLU 214.A O no hydrogen 3.223 N/A GLN 220.A N LYS 216.A O no hydrogen 3.200 N/A GLN 220.A NE2 LYS 216.A O no hydrogen 3.524 N/A GLN 221.A NE2 ARG 217.A O no hydrogen 3.252 N/A LYS 222.A N ARG 218.A O no hydrogen 2.856 N/A HIS 223.A N GLU 219.A O no hydrogen 3.219 N/A ALA 224.A N GLN 220.A O no hydrogen 2.965 N/A GLU 226.A N LYS 222.A O no hydrogen 2.964 N/A GLN 227.A N HIS 223.A O no hydrogen 3.065 N/A GLU 229.A N LYS 225.A O no hydrogen 3.171 N/A LEU 230.A N GLU 226.A O no hydrogen 3.236 N/A ASN 231.A N GLN 227.A O no hydrogen 3.232 N/A ASP 232.A N GLU 229.A O no hydrogen 3.272 N/A ALA 233.A N GLU 229.A O no hydrogen 3.275 N/A ALA 233.A N LEU 230.A O no hydrogen 3.126 N/A VAL 234.A N LEU 230.A O no hydrogen 3.365 N/A PHE 236.A N PRO 123.A O no hydrogen 2.971 N/A SER 237.A N VAL 234.A O no hydrogen 3.141 N/A SER 237.A OG LEU 125.A O no hydrogen 2.731 N/A SER 237.A OG VAL 234.A O no hydrogen 2.971 N/A ARG 238.A N GLY 235.A O no hydrogen 3.077 N/A VAL 239.A N PHE 236.A O no hydrogen 2.977 N/A ILE 240.A N PHE 236.A O no hydrogen 3.467 N/A HIS 241.A N SER 237.A O no hydrogen 2.856 N/A ALA 242.A N ARG 238.A O no hydrogen 2.911 N/A ILE 243.A N VAL 239.A O no hydrogen 2.982 N/A ALA 244.A N ILE 240.A O no hydrogen 3.090 N/A ASN 245.A N HIS 241.A O no hydrogen 2.797 N/A SER 246.A OG ILE 243.A O no hydrogen 2.501 N/A LYS 248.A N SER 246.A OG no hydrogen 3.271 N/A LYS 248.A NZ GLU 20.A O no hydrogen 3.146 N/A LYS 248.A NZ ALA 22.A O no hydrogen 2.814 N/A VAL 250.A N ARG 287.A O no hydrogen 2.912 N/A ILE 251.A N PHE 25.A O no hydrogen 2.637 N/A GLY 252.A N LEU 289.A O no hydrogen 2.810 N/A HIS 253.A NE2 THR 307.A O no hydrogen 2.934 N/A ASN 254.A N ASP 290.A OD1 no hydrogen 3.012 N/A MET 255.A N ASP 290.A OD2 no hydrogen 2.998 N/A VAL 259.A N MET 255.A O no hydrogen 2.865 N/A MET 260.A N LEU 256.A O no hydrogen 2.894 N/A HIS 261.A N LEU 257.A O no hydrogen 3.060 N/A THR 262.A N ASP 258.A O no hydrogen 2.937 N/A THR 262.A OG1 ASP 258.A O no hydrogen 2.696 N/A VAL 263.A N VAL 259.A O no hydrogen 3.093 N/A HIS 264.A N MET 260.A O no hydrogen 3.091 N/A GLN 265.A N HIS 261.A O no hydrogen 3.211 N/A GLN 265.A N THR 262.A O no hydrogen 3.213 N/A PHE 266.A N THR 262.A O no hydrogen 2.871 N/A TYR 267.A N VAL 263.A O no hydrogen 3.301 N/A CYS 268.A N VAL 263.A O no hydrogen 2.855 N/A CYS 268.A SG PRO 269.A O no hydrogen 3.613 N/A LEU 270.A N HIS 264.A ND1 no hydrogen 3.296 N/A LEU 274.A N GLU 42.A OE1 no hydrogen 2.934 N/A PHE 277.A N ASP 273.A O no hydrogen 3.342 N/A LYS 278.A N LEU 274.A O no hydrogen 3.084 N/A GLU 279.A N SER 275.A O no hydrogen 3.365 N/A MET 280.A N GLU 276.A O no hydrogen 3.155 N/A THR 281.A N PHE 277.A O no hydrogen 2.938 N/A THR 281.A OG1 PHE 277.A O no hydrogen 3.011 N/A THR 282.A N GLU 279.A O no hydrogen 3.165 N/A THR 282.A OG1 LYS 278.A O no hydrogen 3.247 N/A CYS 283.A N GLU 279.A O no hydrogen 3.434 N/A CYS 283.A SG TYR 267.A OH no hydrogen 3.147 N/A VAL 284.A N MET 280.A O no hydrogen 3.213 N/A PHE 285.A N THR 281.A O no hydrogen 2.732 N/A ARG 287.A NE GLY 247.A O no hydrogen 3.391 N/A LEU 288.A N ASN 381.A OD1 no hydrogen 3.178 N/A LEU 289.A N VAL 250.A O no hydrogen 3.028 N/A THR 291.A N GLY 252.A O no hydrogen 2.837 N/A THR 291.A OG1 GLY 252.A O no hydrogen 2.890 N/A LYS 292.A N ASP 290.A OD1 no hydrogen 3.175 N/A LYS 292.A NZ THR 307.A OG1 no hydrogen 2.719 N/A MET 294.A N ASP 290.A O no hydrogen 2.915 N/A ALA 295.A N THR 291.A O no hydrogen 2.989 N/A SER 296.A N LYS 292.A O no hydrogen 3.168 N/A SER 296.A N LEU 293.A O no hydrogen 2.908 N/A SER 296.A OG LYS 292.A O no hydrogen 2.575 N/A THR 297.A N MET 294.A O no hydrogen 3.276 N/A THR 297.A OG1 LEU 293.A O no hydrogen 2.927 N/A PHE 300.A N THR 297.A O no hydrogen 3.067 N/A LYS 301.A N THR 297.A O no hydrogen 3.331 N/A ILE 303.A N PHE 300.A O no hydrogen 3.017 N/A ILE 304.A N PHE 300.A O no hydrogen 2.985 N/A SER 308.A N ASN 306.A OD1 no hydrogen 2.920 N/A LEU 312.A N SER 308.A O no hydrogen 2.738 N/A GLU 313.A N LEU 309.A O no hydrogen 3.039 N/A LYS 314.A NZ GLU 311.A OE2 no hydrogen 2.967 N/A ARG 315.A N GLU 311.A O no hydrogen 3.139 N/A ARG 315.A NE ARG 315.A O no hydrogen 3.126 N/A ARG 315.A NH2 THR 319.A O no hydrogen 2.539 N/A LEU 316.A N LEU 312.A O no hydrogen 2.916 N/A LYS 317.A N LYS 314.A O no hydrogen 3.262 N/A LYS 317.A NZ GLU 313.A O no hydrogen 3.372 N/A LYS 317.A NZ GLU 313.A OE1 no hydrogen 3.081 N/A GLU 318.A N ARG 315.A O no hydrogen 3.041 N/A PHE 321.A N GLU 318.A O no hydrogen 2.873 N/A GLU 327.A N TYR 74.A O no hydrogen 2.928 N/A SER 328.A OG PHE 332.A O no hydrogen 3.292 N/A SER 328.A OG PRO 333.A O no hydrogen 2.816 N/A ALA 329.A N THR 76.A O no hydrogen 3.083 N/A PHE 332.A N ALA 329.A O no hydrogen 3.003 N/A TYR 335.A OH GLU 339.A OE2 no hydrogen 2.664 N/A HIS 338.A N GLN 110.A OE1 no hydrogen 3.001 N/A HIS 338.A ND1 ASP 343.A OD1 no hydrogen 2.821 N/A ALA 340.A N GLN 59.A OE1 no hydrogen 3.019 N/A GLY 341.A N ASN 80.A OD1 no hydrogen 2.721 N/A ASP 343.A N GLU 339.A O no hydrogen 2.833 N/A ALA 344.A N ALA 340.A O no hydrogen 2.867 N/A TYR 345.A N GLY 341.A O no hydrogen 2.822 N/A ILE 346.A N TYR 342.A O no hydrogen 2.908 N/A THR 347.A N ASP 343.A O no hydrogen 2.894 N/A THR 347.A OG1 ASP 343.A O no hydrogen 2.631 N/A GLY 348.A N ALA 344.A O no hydrogen 2.758 N/A LEU 349.A N TYR 345.A O no hydrogen 3.201 N/A CYS 350.A N ILE 346.A O no hydrogen 3.003 N/A CYS 350.A SG ILE 346.A O no hydrogen 3.476 N/A PHE 351.A N THR 347.A O no hydrogen 3.050 N/A ILE 352.A N GLY 348.A O no hydrogen 3.007 N/A SER 353.A N LEU 349.A O no hydrogen 3.028 N/A SER 353.A OG LEU 316.A O no hydrogen 3.169 N/A SER 353.A OG LEU 349.A O no hydrogen 3.118 N/A MET 354.A N CYS 350.A O no hydrogen 3.067 N/A ALA 355.A N PHE 351.A O no hydrogen 2.710 N/A ASN 356.A N ILE 352.A O no hydrogen 2.911 N/A TYR 357.A N SER 353.A O no hydrogen 3.263 N/A LEU 358.A N MET 354.A O no hydrogen 3.121 N/A GLY 359.A N ASN 356.A O no hydrogen 2.866 N/A SER 360.A N TYR 357.A O no hydrogen 2.837 N/A SER 360.A OG TYR 357.A O no hydrogen 2.326 N/A PHE 361.A N LEU 358.A O no hydrogen 3.286 N/A LEU 362.A N GLY 359.A O no hydrogen 3.061 N/A LYS 366.A N GLY 359.A O no hydrogen 3.220 N/A VAL 369.A N ASN 356.A OD1 no hydrogen 2.914 N/A ARG 372.A N SER 370.A OG no hydrogen 3.029 N/A SER 373.A N SER 370.A O no hydrogen 3.098 N/A LEU 375.A N SER 373.A OG no hydrogen 3.079 N/A ILE 376.A N SER 373.A O no hydrogen 3.443 N/A PHE 379.A N ILE 376.A O no hydrogen 3.058 N/A PHE 380.A N GLU 377.A O no hydrogen 3.133 N/A ASN 381.A N LEU 288.A O no hydrogen 2.662 N/A ASN 381.A ND2 PRO 286.A O no hydrogen 3.278 N/A LYS 382.A NZ PRO 378.A O no hydrogen 3.395 N/A LYS 382.A NZ PHE 380.A O no hydrogen 3.218 N/A LYS 382.A NZ ASP 390.A OD1 no hydrogen 3.144 N/A LEU 383.A N MET 389.A O no hydrogen 3.087 N/A LEU 385.A N ARG 387.A O no hydrogen 3.262 N/A MET 389.A N LEU 383.A O no hydrogen 2.723 N/A ILE 391.A N ASN 381.A O no hydrogen 3.087 N/A