Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3t1p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N ASN 1.A O no hydrogen 3.363 N/A ASN 6.A ND2 ASN 58.A O no hydrogen 2.825 N/A LEU 7.A N ILE 3.A O no hydrogen 3.375 N/A ALA 8.A N THR 4.A O no hydrogen 2.935 N/A GLU 9.A N PRO 5.A O no hydrogen 3.051 N/A PHE 10.A N ASN 6.A O no hydrogen 2.790 N/A ALA 11.A N LEU 7.A O no hydrogen 2.704 N/A PHE 12.A N ALA 8.A O no hydrogen 2.867 N/A SER 13.A N GLU 9.A O no hydrogen 2.477 N/A LEU 14.A N PHE 10.A O no hydrogen 2.693 N/A TYR 15.A N ALA 11.A O no hydrogen 2.818 N/A TYR 15.A OH GLU 241.A OE2 no hydrogen 3.002 N/A ARG 16.A N PHE 12.A O no hydrogen 2.848 N/A GLN 17.A N SER 13.A O no hydrogen 3.253 N/A LEU 18.A N TYR 15.A O no hydrogen 2.708 N/A ALA 19.A N TYR 15.A O no hydrogen 3.127 N/A HIS 20.A N ARG 16.A O no hydrogen 2.743 N/A HIS 20.A ND1 HIS 20.A O no hydrogen 2.707 N/A GLN 21.A N LEU 18.A O no hydrogen 3.314 N/A SER 22.A N LEU 18.A O no hydrogen 3.164 N/A SER 22.A OG THR 25.A OG1 no hydrogen 2.949 N/A THR 25.A N ASN 23.A O no hydrogen 2.813 N/A THR 25.A OG1 SER 22.A O no hydrogen 2.875 N/A PHE 28.A N TYR 274.A OH no hydrogen 3.229 N/A SER 30.A N HIS 311.A NE2 no hydrogen 3.284 N/A SER 33.A N SER 30.A OG no hydrogen 2.766 N/A ILE 34.A N SER 30.A O no hydrogen 3.282 N/A ALA 35.A N PRO 31.A O no hydrogen 3.073 N/A THR 36.A N VAL 32.A O no hydrogen 2.873 N/A THR 36.A OG1 VAL 32.A O no hydrogen 2.980 N/A ALA 37.A N SER 33.A O no hydrogen 3.130 N/A PHE 38.A N ILE 34.A O no hydrogen 3.133 N/A PHE 38.A N ALA 35.A O no hydrogen 3.046 N/A ALA 39.A N ALA 35.A O no hydrogen 2.682 N/A MET 40.A N THR 36.A O no hydrogen 2.660 N/A LEU 41.A N ALA 37.A O no hydrogen 2.765 N/A SER 42.A N PHE 38.A O no hydrogen 2.567 N/A SER 42.A OG ALA 39.A O no hydrogen 2.667 N/A GLY 44.A N LEU 41.A O no hydrogen 2.984 N/A THR 45.A N SER 42.A O no hydrogen 3.259 N/A THR 45.A OG1 SER 42.A O no hydrogen 2.736 N/A THR 45.A OG1 HIS 50.A ND1 no hydrogen 3.201 N/A THR 49.A OG1 GLY 292.A O no hydrogen 3.356 N/A HIS 50.A N LYS 46.A O no hydrogen 3.144 N/A HIS 50.A ND1 SER 42.A O no hydrogen 2.854 N/A HIS 50.A ND1 THR 45.A OG1 no hydrogen 3.201 N/A ASP 51.A N ALA 47.A O no hydrogen 3.007 N/A GLU 52.A N ASP 48.A O no hydrogen 3.318 N/A GLU 55.A N ASP 51.A O no hydrogen 3.187 N/A GLY 56.A N ILE 53.A O no hydrogen 2.508 N/A LEU 57.A N ILE 53.A O no hydrogen 2.715 N/A PHE 59.A N LEU 54.A O no hydrogen 2.740 N/A ILE 64.A N ASN 60.A O no hydrogen 3.075 N/A ILE 69.A N GLU 66.A O no hydrogen 3.233 N/A HIS 70.A N GLU 66.A O no hydrogen 3.237 N/A HIS 70.A ND1 TYR 115.A OH no hydrogen 2.804 N/A HIS 70.A NE2 GLU 66.A OE1 no hydrogen 2.932 N/A GLU 71.A N ALA 67.A O no hydrogen 3.197 N/A PHE 73.A N ILE 69.A O no hydrogen 3.133 N/A GLN 74.A N HIS 70.A O no hydrogen 3.061 N/A GLU 75.A N GLU 71.A O no hydrogen 2.847 N/A LEU 76.A N GLY 72.A O no hydrogen 2.910 N/A LEU 77.A N PHE 73.A O no hydrogen 2.899 N/A ARG 78.A N GLN 74.A O no hydrogen 3.063 N/A THR 79.A N GLU 75.A O no hydrogen 2.904 N/A THR 79.A OG1 GLU 75.A O no hydrogen 2.673 N/A THR 79.A OG1 LEU 76.A O no hydrogen 3.026 N/A LEU 80.A N LEU 76.A O no hydrogen 3.129 N/A LEU 80.A N LEU 77.A O no hydrogen 3.097 N/A ASN 81.A N ARG 78.A O no hydrogen 2.724 N/A GLN 82.A N THR 79.A O no hydrogen 3.390 N/A ASP 84.A N ASN 224.A OD1 no hydrogen 3.022 N/A GLN 86.A N ASP 84.A OD1 no hydrogen 2.239 N/A LEU 87.A N ASP 84.A O no hydrogen 3.385 N/A GLN 88.A N LYS 168.A O no hydrogen 3.022 N/A THR 90.A N PHE 166.A O no hydrogen 3.283 N/A THR 91.A N ASN 81.A OD1 no hydrogen 3.236 N/A THR 91.A OG1 ASN 93.A OD1 no hydrogen 3.371 N/A THR 91.A OG1 TYR 164.A O no hydrogen 3.450 N/A GLY 92.A N TYR 164.A O no hydrogen 3.315 N/A ASN 93.A ND2 TYR 115.A O no hydrogen 2.698 N/A LEU 95.A N GLU 118.A O no hydrogen 2.659 N/A PHE 96.A N ALA 160.A O no hydrogen 3.181 N/A LEU 97.A N PHE 120.A O no hydrogen 2.643 N/A SER 98.A OG VAL 158.A O no hydrogen 3.115 N/A GLU 99.A N VAL 122.A O no hydrogen 3.137 N/A VAL 104.A N VAL 298.A O no hydrogen 2.747 N/A LEU 108.A N VAL 104.A O no hydrogen 3.184 N/A GLU 109.A N ASP 105.A O no hydrogen 2.682 N/A ASP 110.A N LYS 106.A O no hydrogen 3.093 N/A VAL 111.A N PHE 107.A O no hydrogen 3.171 N/A LYS 112.A N GLU 109.A O no hydrogen 3.061 N/A LYS 113.A N GLU 109.A O no hydrogen 2.855 N/A LEU 114.A N ASP 110.A O no hydrogen 2.809 N/A TYR 115.A OH HIS 70.A ND1 no hydrogen 2.804 N/A SER 117.A N VAL 111.A O no hydrogen 2.888 N/A SER 117.A OG ASN 93.A O no hydrogen 2.905 N/A PHE 120.A N LEU 95.A O no hydrogen 3.059 N/A VAL 122.A N LEU 97.A O no hydrogen 2.570 N/A THR 127.A OG1 LEU 153.A O no hydrogen 2.646 N/A GLU 129.A N ASP 126.A O no hydrogen 3.204 N/A ALA 130.A N ASP 126.A O no hydrogen 2.940 N/A LYS 131.A N THR 127.A O no hydrogen 2.780 N/A GLN 133.A N GLU 129.A O no hydrogen 3.088 N/A ILE 134.A N ALA 130.A O no hydrogen 3.176 N/A ASN 135.A N LYS 131.A O no hydrogen 2.864 N/A ASN 135.A ND2 VAL 150.A O no hydrogen 3.344 N/A ASP 136.A N LYS 132.A O no hydrogen 2.615 N/A TYR 137.A N GLN 133.A O no hydrogen 3.387 N/A VAL 138.A N ILE 134.A O no hydrogen 3.131 N/A GLU 139.A N ASN 135.A O no hydrogen 3.029 N/A GLY 141.A N TYR 137.A O no hydrogen 3.337 N/A THR 142.A N VAL 138.A O no hydrogen 2.760 N/A THR 142.A OG1 VAL 138.A O no hydrogen 2.746 N/A THR 142.A OG1 ILE 146.A O no hydrogen 3.037 N/A GLN 143.A N LYS 140.A O no hydrogen 2.652 N/A LYS 145.A N THR 142.A O no hydrogen 2.984 N/A ILE 146.A N THR 142.A OG1 no hydrogen 3.153 N/A VAL 150.A N ASN 135.A OD1 no hydrogen 3.256 N/A ASP 156.A N ASP 154.A OD1 no hydrogen 2.763 N/A THR 157.A N ASP 154.A O no hydrogen 3.151 N/A VAL 158.A N ALA 332.A O no hydrogen 2.977 N/A ALA 160.A N PHE 96.A O no hydrogen 3.080 N/A LEU 161.A N LEU 330.A O no hydrogen 3.075 N/A VAL 162.A N GLY 94.A O no hydrogen 2.903 N/A TYR 164.A N GLY 92.A O no hydrogen 2.957 N/A ILE 165.A N GLY 326.A O no hydrogen 2.923 N/A PHE 166.A N THR 90.A O no hydrogen 3.111 N/A PHE 167.A N ALA 324.A O no hydrogen 2.770 N/A LYS 168.A N GLN 88.A O no hydrogen 3.181 N/A GLY 169.A N THR 322.A O no hydrogen 3.179 N/A TRP 171.A N LYS 320.A O no hydrogen 2.529 N/A TRP 171.A NE1 ASP 318.A O no hydrogen 2.745 N/A GLU 172.A N LYS 220.A O no hydrogen 2.818 N/A PHE 175.A N GLU 319.A O no hydrogen 3.127 N/A ASP 179.A N GLU 176.A O no hydrogen 3.015 N/A THR 180.A OG1 GLU 319.A OE2 no hydrogen 2.458 N/A GLU 181.A N MET 197.A O no hydrogen 2.837 N/A GLU 183.A N VAL 195.A O no hydrogen 2.920 N/A PHE 185.A N VAL 193.A O no hydrogen 2.630 N/A VAL 187.A N THR 191.A O no hydrogen 2.818 N/A VAL 193.A N PHE 185.A O no hydrogen 2.941 N/A LYS 194.A NZ ASP 184.A OD2 no hydrogen 2.686 N/A VAL 195.A N GLU 183.A O no hydrogen 2.976 N/A MET 198.A N LEU 265.A O no hydrogen 3.048 N/A ARG 200.A N LEU 263.A O no hydrogen 3.149 N/A GLY 202.A N ALA 261.A O no hydrogen 3.089 N/A PHE 204.A N ARG 259.A O no hydrogen 2.667 N/A ASN 205.A ND2 ASN 255.A O no hydrogen 2.668 N/A GLN 207.A N VAL 216.A O no hydrogen 3.373 N/A HIS 208.A NE2 ASP 233.A OD1 no hydrogen 2.788 N/A HIS 208.A NE2 ASP 233.A OD2 no hydrogen 2.889 N/A SER 209.A N SER 214.A O no hydrogen 3.182 N/A LEU 212.A N SER 209.A OG no hydrogen 3.352 N/A SER 214.A OG LEU 212.A O no hydrogen 2.891 N/A TRP 215.A N LEU 231.A O no hydrogen 2.691 N/A VAL 216.A N GLN 207.A O no hydrogen 2.721 N/A LEU 217.A N PHE 229.A O no hydrogen 3.226 N/A LEU 218.A N ASN 205.A O no hydrogen 2.988 N/A MET 219.A N ALA 227.A O no hydrogen 2.902 N/A LYS 220.A NZ GLY 223.A O no hydrogen 3.212 N/A TYR 221.A N ALA 225.A O no hydrogen 2.898 N/A TYR 221.A OH THR 322.A OG1 no hydrogen 2.600 N/A LEU 222.A N LYS 170.A O no hydrogen 2.599 N/A ALA 227.A N MET 219.A O no hydrogen 3.281 N/A PHE 229.A N LEU 217.A O no hydrogen 2.820 N/A LEU 231.A N TRP 215.A O no hydrogen 2.937 N/A ASP 233.A N SER 213.A O no hydrogen 2.848 N/A LYS 236.A N ASP 233.A O no hydrogen 2.967 N/A LYS 236.A NZ SER 213.A OG no hydrogen 3.225 N/A GLN 238.A N GLN 238.A OE1 no hydrogen 2.597 N/A HIS 239.A NE2 LYS 211.A O no hydrogen 2.905 N/A LEU 240.A N LYS 236.A O no hydrogen 2.546 N/A GLU 241.A N LEU 237.A O no hydrogen 2.858 N/A ASN 242.A N GLN 238.A O no hydrogen 2.966 N/A GLU 243.A N LEU 240.A O no hydrogen 2.805 N/A HIS 246.A N GLU 9.A OE2 no hydrogen 2.828 N/A ILE 248.A N THR 245.A OG1 no hydrogen 3.058 N/A ILE 249.A N THR 245.A O no hydrogen 3.000 N/A THR 250.A N HIS 246.A O no hydrogen 2.802 N/A THR 250.A OG1 HIS 246.A O no hydrogen 3.097 N/A LYS 251.A N ASP 247.A O no hydrogen 2.827 N/A PHE 252.A N ILE 248.A O no hydrogen 3.208 N/A LEU 253.A N ILE 249.A O no hydrogen 2.971 N/A GLU 254.A N LYS 251.A O no hydrogen 3.368 N/A ASN 255.A N LYS 251.A O no hydrogen 3.418 N/A ARG 259.A N PHE 204.A O no hydrogen 3.158 N/A ALA 261.A N GLY 202.A O no hydrogen 2.863 N/A LEU 263.A N ARG 200.A O no hydrogen 3.076 N/A LEU 265.A N MET 198.A O no hydrogen 2.838 N/A LYS 267.A N PRO 196.A O no hydrogen 2.624 N/A LYS 267.A NZ GLU 319.A OE1 no hydrogen 3.263 N/A LYS 267.A NZ GLU 319.A OE2 no hydrogen 3.181 N/A LEU 268.A N ILE 317.A O no hydrogen 3.160 N/A CYS 269.A SG LEU 268.A O no hydrogen 3.357 N/A ILE 270.A N LEU 315.A O no hydrogen 2.896 N/A GLY 272.A N ALA 313.A O no hydrogen 2.710 N/A TYR 274.A N HIS 311.A O no hydrogen 2.787 N/A TYR 274.A OH PHE 28.A O no hydrogen 3.397 N/A LEU 276.A N ALA 309.A O no hydrogen 2.829 N/A LEU 280.A N LEU 276.A O no hydrogen 2.650 N/A GLY 281.A N LYS 277.A O no hydrogen 2.761 N/A GLN 282.A N SER 278.A O no hydrogen 3.242 N/A GLN 282.A N VAL 279.A O no hydrogen 2.876 N/A LEU 283.A N LEU 280.A O no hydrogen 2.334 N/A GLY 284.A N GLY 281.A O no hydrogen 2.923 N/A THR 286.A N GLU 52.A OE2 no hydrogen 3.444 N/A THR 286.A OG1 GLU 52.A OE1 no hydrogen 3.364 N/A LYS 287.A N GLU 52.A OE2 no hydrogen 2.876 N/A PHE 289.A N THR 286.A O no hydrogen 3.415 N/A SER 290.A N LYS 287.A O no hydrogen 2.895 N/A SER 290.A OG LYS 287.A O no hydrogen 2.408 N/A GLY 292.A N SER 290.A OG no hydrogen 3.395 N/A LEU 295.A N ALA 293.A O no hydrogen 3.231 N/A SER 296.A OG ASP 294.A OD2 no hydrogen 2.806 N/A VAL 298.A N LEU 295.A O no hydrogen 3.200 N/A THR 299.A OG1 LYS 102.A O no hydrogen 1.519 N/A LYS 305.A N ILE 333.A O no hydrogen 3.241 N/A LYS 305.A NZ ASN 291.A OD1 no hydrogen 2.908 N/A LYS 305.A NZ GLU 340.A OE2 no hydrogen 3.193 N/A LEU 306.A N VAL 288.A O no hydrogen 3.239 N/A SER 307.A N GLU 331.A O no hydrogen 2.464 N/A SER 307.A OG GLU 331.A OE2 no hydrogen 3.245 N/A LYS 308.A NZ GLU 152.A O no hydrogen 2.800 N/A VAL 310.A N PHE 329.A O no hydrogen 2.852 N/A HIS 311.A N TYR 274.A O no hydrogen 2.912 N/A LYS 312.A N ALA 327.A O no hydrogen 3.035 N/A ALA 313.A N GLY 272.A O no hydrogen 2.740 N/A VAL 314.A N ALA 325.A O no hydrogen 3.130 N/A LEU 315.A N ILE 270.A O no hydrogen 2.774 N/A CYS 316.A N GLU 323.A O no hydrogen 2.737 N/A CYS 316.A SG LEU 315.A O no hydrogen 2.973 N/A ILE 317.A N LEU 268.A O no hydrogen 2.841 N/A ASP 318.A N GLY 321.A O no hydrogen 3.144 N/A GLU 319.A N GLU 319.A OE1 no hydrogen 2.722 N/A GLY 321.A N ASP 318.A OD1 no hydrogen 3.030 N/A THR 322.A N GLY 169.A O no hydrogen 2.913 N/A THR 322.A OG1 TYR 221.A OH no hydrogen 2.600 N/A GLU 323.A N CYS 316.A O no hydrogen 2.863 N/A ALA 324.A N PHE 167.A O no hydrogen 3.083 N/A ALA 325.A N VAL 314.A O no hydrogen 3.256 N/A GLY 326.A N ILE 165.A O no hydrogen 3.178 N/A MET 328.A N ASN 163.A O no hydrogen 2.965 N/A LEU 330.A N LEU 161.A O no hydrogen 2.925 N/A GLU 331.A N LYS 308.A O no hydrogen 3.127 N/A PHE 347.A N VAL 365.A O no hydrogen 3.076 N/A PHE 349.A N GLY 363.A O no hydrogen 3.034 N/A MET 351.A N PHE 361.A O no hydrogen 2.950 N/A GLU 353.A N SER 358.A O no hydrogen 2.956 N/A ASN 355.A N GLU 353.A OE1 no hydrogen 2.792 N/A THR 356.A N GLU 353.A O no hydrogen 3.156 N/A THR 356.A N GLU 353.A OE2 no hydrogen 2.477 N/A THR 356.A OG1 GLU 353.A OE2 no hydrogen 2.468 N/A THR 356.A OG1 SER 358.A OG no hydrogen 3.413 N/A LYS 357.A N GLU 353.A O no hydrogen 2.579 N/A SER 358.A OG THR 356.A OG1 no hydrogen 3.413 N/A LEU 360.A N MET 351.A O no hydrogen 2.610 N/A GLY 363.A N PHE 349.A O no hydrogen 2.896 N/A VAL 365.A N PHE 347.A O no hydrogen 2.984 N/A THR 369.A N ASN 367.A OD1 no hydrogen 2.226 N/A