Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N GLY 302.A O no hydrogen 3.268 N/A LYS 8.A N ASP 6.A OD1 no hydrogen 3.050 N/A ASN 9.A N ASP 6.A OD1 no hydrogen 3.468 N/A ASN 9.A N ASP 6.A OD2 no hydrogen 2.998 N/A GLN 10.A NE2 GLU 248.A OE1 no hydrogen 3.384 N/A GLN 10.A NE2 GLU 248.A OE2 no hydrogen 2.984 N/A GLN 11.A N LEU 7.A O no hydrogen 2.945 N/A GLN 11.A NE2 TYR 190.A OH no hydrogen 3.314 N/A ALA 12.A N LYS 8.A O no hydrogen 2.948 N/A ARG 13.A N ASN 9.A O no hydrogen 3.341 N/A ILE 14.A N GLN 10.A O no hydrogen 3.297 N/A ILE 14.A N GLN 11.A O no hydrogen 3.080 N/A LYS 15.A NZ ASP 19.A OD1 no hydrogen 3.501 N/A LYS 15.A NZ ASP 19.A OD2 no hydrogen 2.588 N/A ILE 18.A N ILE 14.A O no hydrogen 2.934 N/A ASP 19.A N LYS 15.A O no hydrogen 2.862 N/A ALA 20.A N ASP 16.A O no hydrogen 3.000 N/A GLY 21.A N LYS 17.A O no hydrogen 2.951 N/A ILE 22.A N ILE 18.A O no hydrogen 2.847 N/A GLN 23.A N ASP 19.A O no hydrogen 2.881 N/A ARG 24.A N ALA 20.A O no hydrogen 2.893 N/A VAL 25.A N GLY 21.A O no hydrogen 3.287 N/A LEU 26.A N ILE 22.A O no hydrogen 3.076 N/A ARG 27.A N GLN 23.A O no hydrogen 2.930 N/A HIS 28.A N ARG 24.A O no hydrogen 2.928 N/A HIS 28.A NE2 GLU 36.A OE1 no hydrogen 2.950 N/A GLY 29.A N VAL 25.A O no hydrogen 2.935 N/A GLN 30.A N HIS 28.A ND1 no hydrogen 2.931 N/A GLN 30.A NE2 HIS 28.A O no hydrogen 2.969 N/A GLY 34.A N THR 232.A OG1 no hydrogen 2.852 N/A GLU 36.A N GLU 36.A OE1 no hydrogen 2.698 N/A VAL 37.A N GLY 34.A O no hydrogen 2.936 N/A GLU 39.A N PRO 35.A O no hydrogen 3.005 N/A LEU 40.A N GLU 36.A O no hydrogen 2.894 N/A GLU 41.A N VAL 37.A O no hydrogen 3.050 N/A ASP 42.A N THR 38.A O no hydrogen 3.096 N/A ARG 43.A N GLU 39.A O no hydrogen 3.063 N/A ARG 43.A NE GLU 39.A OE1 no hydrogen 2.964 N/A ARG 43.A NH2 GLU 39.A OE1 no hydrogen 3.409 N/A LEU 44.A N LEU 40.A O no hydrogen 2.743 N/A ALA 45.A N GLU 41.A O no hydrogen 2.995 N/A ASP 46.A N ASP 42.A O no hydrogen 2.934 N/A PHE 47.A N ARG 43.A O no hydrogen 2.870 N/A VAL 48.A N LEU 44.A O no hydrogen 2.957 N/A GLY 49.A N ALA 45.A O no hydrogen 2.755 N/A LYS 51.A N ASN 199.A OD1 no hydrogen 2.887 N/A LYS 51.A NZ ASP 201.A OD2 no hydrogen 3.042 N/A TYR 52.A N THR 198.A O no hydrogen 2.925 N/A TYR 52.A OH ASP 201.A OD2 no hydrogen 2.655 N/A ILE 54.A N ILE 196.A O no hydrogen 2.801 N/A SER 55.A N GLU 41.A OE2 no hydrogen 2.890 N/A SER 55.A OG GLU 41.A OE2 no hydrogen 2.589 N/A CYS 56.A N GLY 194.A O no hydrogen 2.884 N/A CYS 56.A SG ASN 58.A O no hydrogen 3.724 N/A ALA 57.A N SER 228.A OG no hydrogen 2.972 N/A ASN 58.A ND2 ASP 61.A OD1 no hydrogen 3.207 N/A ASP 61.A N ASN 58.A OD1 no hydrogen 2.785 N/A ALA 62.A N ASN 58.A O no hydrogen 2.883 N/A LEU 63.A N GLY 59.A O no hydrogen 3.180 N/A GLN 64.A N THR 60.A O no hydrogen 3.072 N/A ILE 65.A N ASP 61.A O no hydrogen 2.852 N/A VAL 66.A N ALA 62.A O no hydrogen 3.144 N/A GLN 67.A N LEU 63.A O no hydrogen 3.288 N/A GLN 67.A NE2 LEU 63.A O no hydrogen 3.253 N/A MET 68.A N GLN 64.A O no hydrogen 2.928 N/A ALA 69.A N ILE 65.A O no hydrogen 3.036 N/A LEU 70.A N VAL 66.A O no hydrogen 3.129 N/A GLY 71.A N MET 68.A O no hydrogen 3.084 N/A VAL 72.A N GLN 67.A O no hydrogen 2.848 N/A GLY 73.A N ASP 76.A OD2 no hydrogen 2.852 N/A ASP 76.A N GLY 73.A O no hydrogen 2.960 N/A GLU 77.A N ARG 123.A O no hydrogen 2.911 N/A VAL 78.A N LYS 98.A O no hydrogen 3.072 N/A ILE 79.A N ALA 126.A O no hydrogen 3.084 N/A THR 80.A N VAL 100.A O no hydrogen 2.968 N/A THR 80.A OG1 PRO 81.A O no hydrogen 3.231 N/A GLY 82.A N VAL 102.A O no hydrogen 3.063 N/A THR 84.A OG1 THR 88.A OG1 no hydrogen 3.305 N/A THR 88.A N TYR 85.A O no hydrogen 3.314 N/A THR 88.A OG1 THR 84.A OG1 no hydrogen 3.305 N/A THR 88.A OG1 TYR 85.A O no hydrogen 3.331 N/A THR 88.A OG1 ASP 156.A OD2 no hydrogen 2.854 N/A ALA 89.A N VAL 86.A O no hydrogen 3.133 N/A GLU 90.A N VAL 86.A O no hydrogen 2.864 N/A THR 91.A N ALA 87.A O no hydrogen 3.301 N/A THR 91.A OG1 ALA 87.A O no hydrogen 3.232 N/A ALA 93.A N ALA 89.A O no hydrogen 3.064 N/A LEU 94.A N GLU 90.A O no hydrogen 2.884 N/A LEU 95.A N THR 91.A O no hydrogen 3.157 N/A GLY 96.A N ALA 93.A O no hydrogen 2.900 N/A ALA 97.A N VAL 92.A O no hydrogen 3.082 N/A LYS 98.A N ASP 76.A O no hydrogen 2.958 N/A VAL 100.A N VAL 78.A O no hydrogen 2.869 N/A TYR 101.A OH VAL 319.A O no hydrogen 2.784 N/A VAL 102.A N THR 80.A O no hydrogen 3.159 N/A ASP 105.A N ASN 110.A O no hydrogen 2.721 N/A ARG 107.A N ASP 105.A OD2 no hydrogen 2.776 N/A THR 108.A N ASP 105.A OD2 no hydrogen 3.335 N/A TYR 109.A N ASP 105.A O no hydrogen 3.039 N/A ASN 110.A N THR 108.A OG1 no hydrogen 3.284 N/A ASN 110.A ND2 GLN 135.A O no hydrogen 3.040 N/A ASP 112.A N ASP 103.A O no hydrogen 3.262 N/A GLN 114.A N ASP 112.A OD1 no hydrogen 2.932 N/A LEU 115.A N ASP 112.A O no hydrogen 3.036 N/A LEU 116.A N PRO 113.A O no hydrogen 3.258 N/A ALA 119.A N LEU 116.A O no hydrogen 2.983 N/A ILE 120.A N GLU 117.A O no hydrogen 3.025 N/A THR 121.A N THR 124.A OG1 no hydrogen 2.892 N/A THR 121.A OG1 GLU 77.A OE1 no hydrogen 2.618 N/A ARG 123.A N THR 121.A OG1 no hydrogen 3.096 N/A ARG 123.A NH2 GLY 75.A O no hydrogen 3.148 N/A THR 124.A N THR 121.A O no hydrogen 3.043 N/A THR 124.A OG1 THR 121.A O no hydrogen 3.201 N/A LYS 125.A N GLU 77.A O no hydrogen 2.792 N/A LYS 125.A NZ GLY 71.A O no hydrogen 3.296 N/A LYS 125.A NZ ASP 76.A OD1 no hydrogen 3.186 N/A LYS 125.A NZ ASP 76.A OD2 no hydrogen 2.841 N/A ILE 127.A N PRO 152.A O no hydrogen 3.040 N/A ILE 128.A N ILE 79.A O no hydrogen 2.714 N/A SER 131.A N ASP 156.A O no hydrogen 3.128 N/A SER 131.A OG GLU 155.A OE2 no hydrogen 2.737 N/A LEU 132.A N ASN 110.A OD1 no hydrogen 2.883 N/A TYR 133.A N GLN 159.A OE1 no hydrogen 2.749 N/A TYR 133.A OH HIS 308.A O no hydrogen 2.600 N/A GLN 135.A N LEU 132.A O no hydrogen 3.132 N/A GLN 135.A NE2 PHE 272.A O no hydrogen 3.020 N/A ASP 140.A N TYR 165.A OH no hydrogen 2.966 N/A ILE 142.A N ASP 138.A O no hydrogen 3.062 N/A ASN 143.A N PHE 139.A O no hydrogen 2.634 N/A ASN 143.A ND2 LEU 173.A O no hydrogen 2.934 N/A ALA 144.A N ASP 140.A O no hydrogen 3.153 N/A ILE 145.A N ALA 141.A O no hydrogen 3.293 N/A ALA 146.A N ILE 142.A O no hydrogen 2.990 N/A SER 147.A N ASN 143.A O no hydrogen 2.931 N/A SER 147.A OG ALA 144.A O no hydrogen 2.753 N/A LYS 148.A N ILE 145.A O no hydrogen 3.230 N/A LYS 148.A NZ GLU 117.A OE1 no hydrogen 3.082 N/A TYR 149.A N ALA 146.A O no hydrogen 3.003 N/A TYR 149.A OH GLU 117.A OE1 no hydrogen 2.694 N/A ILE 151.A N ALA 146.A O no hydrogen 3.201 N/A VAL 153.A N THR 175.A OG1 no hydrogen 3.038 N/A ILE 154.A N ILE 127.A O no hydrogen 2.912 N/A GLU 155.A N VAL 176.A O no hydrogen 2.917 N/A ASP 156.A N PRO 129.A O no hydrogen 2.884 N/A ALA 157.A N CYS 178.A O no hydrogen 2.683 N/A ALA 158.A N ASP 156.A OD1 no hydrogen 3.336 N/A SER 160.A N ALA 157.A O no hydrogen 3.098 N/A SER 160.A OG SER 170.A OG no hydrogen 2.843 N/A ALA 163.A N SER 160.A O no hydrogen 2.902 N/A SER 164.A N ILE 278.A O no hydrogen 3.034 N/A TYR 165.A N LYS 168.A O no hydrogen 2.701 N/A TYR 165.A OH ASP 138.A OD1 no hydrogen 2.559 N/A LYS 166.A N ASN 276.A O no hydrogen 2.848 N/A LYS 166.A NZ ASP 140.A OD2 no hydrogen 2.803 N/A LYS 166.A NZ TYR 165.A OH no hydrogen 3.266 N/A LYS 168.A N TYR 165.A O no hydrogen 2.878 N/A ARG 169.A NH1 GLY 162.A O no hydrogen 2.861 N/A ARG 169.A NH1 GLU 246.A OE2 no hydrogen 2.652 N/A ARG 169.A NH2 GLU 246.A OE2 no hydrogen 2.610 N/A SER 170.A N ALA 163.A O no hydrogen 2.807 N/A SER 170.A OG GLU 155.A OE2 no hydrogen 2.513 N/A SER 170.A OG SER 160.A O no hydrogen 3.354 N/A SER 170.A OG SER 160.A OG no hydrogen 2.843 N/A CYS 171.A N GLU 155.A OE1 no hydrogen 2.724 N/A ASN 172.A N ARG 169.A O no hydrogen 2.976 N/A SER 174.A OG VAL 153.A O no hydrogen 3.484 N/A SER 174.A OG VAL 176.A O no hydrogen 3.002 N/A THR 175.A OG1 VAL 153.A O no hydrogen 3.538 N/A VAL 176.A N VAL 153.A O no hydrogen 3.367 N/A ALA 177.A N PHE 197.A O no hydrogen 2.852 N/A CYS 178.A N GLU 155.A O no hydrogen 2.878 N/A THR 179.A N ALA 195.A O no hydrogen 2.922 N/A THR 179.A OG1 ALA 157.A O no hydrogen 2.837 N/A PHE 181.A N GLY 193.A O no hydrogen 2.643 N/A PHE 182.A N SER 180.A OG no hydrogen 2.998 N/A LYS 185.A N PHE 182.A O no hydrogen 2.858 N/A CYS 189.A N PHE 181.A O no hydrogen 2.720 N/A CYS 189.A SG PHE 181.A O no hydrogen 3.467 N/A CYS 189.A SG GLY 191.A O no hydrogen 3.255 N/A CYS 189.A SG GLN 234.A OE1 no hydrogen 3.215 N/A TYR 190.A N GLN 234.A OE1 no hydrogen 2.775 N/A GLY 194.A N CYS 56.A O no hydrogen 3.149 N/A ALA 195.A N THR 179.A O no hydrogen 3.167 N/A ILE 196.A N ILE 54.A O no hydrogen 2.839 N/A PHE 197.A N ALA 177.A O no hydrogen 2.842 N/A THR 198.A N TYR 52.A O no hydrogen 3.098 N/A THR 198.A OG1 THR 175.A O no hydrogen 2.794 N/A ASN 199.A ND2 ASN 172.A OD1 no hydrogen 2.857 N/A ASP 200.A N THR 198.A OG1 no hydrogen 3.130 N/A LEU 203.A N ASP 200.A OD1 no hydrogen 3.053 N/A ALA 204.A N ASP 200.A O no hydrogen 2.912 N/A THR 205.A N ASP 201.A O no hydrogen 3.350 N/A THR 205.A N GLU 202.A O no hydrogen 3.182 N/A THR 205.A OG1 ASP 201.A O no hydrogen 3.347 N/A ALA 206.A N GLU 202.A O no hydrogen 3.174 N/A ILE 207.A N LEU 203.A O no hydrogen 2.765 N/A ARG 208.A N ALA 204.A O no hydrogen 3.114 N/A ARG 208.A NH2 GLU 41.A OE1 no hydrogen 2.978 N/A GLN 209.A N THR 205.A O no hydrogen 3.090 N/A ILE 210.A N ALA 206.A O no hydrogen 2.989 N/A ALA 211.A N ILE 207.A O no hydrogen 3.016 N/A ARG 212.A N GLN 209.A O no hydrogen 2.873 N/A ARG 212.A NH1 SER 55.A O no hydrogen 3.321 N/A ARG 212.A NH1 ALA 211.A O no hydrogen 3.319 N/A ARG 212.A NH2 SER 55.A O no hydrogen 3.007 N/A HIS 213.A N VAL 226.A O no hydrogen 2.853 N/A GLN 215.A N ARG 212.A O no hydrogen 2.829 N/A ASP 216.A N HIS 220.A O no hydrogen 3.387 N/A HIS 220.A N ARG 217.A O no hydrogen 3.023 N/A HIS 220.A ND1 ASP 216.A OD2 no hydrogen 2.830 N/A HIS 221.A ND1 HIS 213.A O no hydrogen 2.679 N/A ILE 222.A N GLY 214.A O no hydrogen 3.013 N/A ARG 223.A NE GLN 209.A OE1 no hydrogen 3.147 N/A VAL 226.A N ILE 210.A O no hydrogen 2.796 N/A SER 228.A N ALA 211.A O no hydrogen 3.249 N/A SER 228.A OG ASP 61.A OD2 no hydrogen 2.795 N/A THR 232.A N TYR 31.A O no hydrogen 3.333 N/A THR 232.A OG1 GLN 30.A O no hydrogen 2.799 N/A GLN 234.A NE2 TYR 190.A O no hydrogen 3.125 N/A ALA 235.A N ASP 231.A O no hydrogen 3.172 N/A ALA 236.A N THR 232.A O no hydrogen 3.009 N/A ILE 237.A N LEU 233.A O no hydrogen 3.133 N/A LEU 238.A N GLN 234.A O no hydrogen 2.833 N/A LEU 239.A N ALA 235.A O no hydrogen 3.155 N/A LYS 241.A NZ GLN 10.A OE1 no hydrogen 2.652 N/A LYS 241.A NZ GLY 188.A O no hydrogen 2.768 N/A LEU 242.A N LEU 238.A O no hydrogen 2.744 N/A GLU 243.A N LEU 239.A O no hydrogen 3.078 N/A PHE 245.A N LEU 242.A O no hydrogen 3.091 N/A GLU 248.A N ILE 244.A O no hydrogen 3.053 N/A ILE 249.A N PHE 245.A O no hydrogen 2.868 N/A ALA 250.A N GLU 246.A O no hydrogen 3.191 N/A LEU 251.A N GLU 247.A O no hydrogen 3.094 N/A ARG 252.A N GLU 248.A O no hydrogen 2.863 N/A ARG 252.A NH1 VAL 280.A O no hydrogen 3.132 N/A GLN 253.A N ILE 249.A O no hydrogen 3.115 N/A GLN 253.A NE2 ILE 249.A O no hydrogen 3.201 N/A GLN 253.A NE2 SER 279.A O no hydrogen 2.627 N/A LYS 254.A N ALA 250.A O no hydrogen 3.232 N/A VAL 255.A N LEU 251.A O no hydrogen 2.983 N/A ALA 256.A N ARG 252.A O no hydrogen 2.981 N/A ALA 257.A N GLN 253.A O no hydrogen 2.943 N/A GLU 258.A N LYS 254.A O no hydrogen 3.064 N/A TYR 259.A N VAL 255.A O no hydrogen 2.980 N/A TYR 259.A OH PRO 340.A O no hydrogen 2.597 N/A ASP 260.A N ALA 256.A O no hydrogen 2.778 N/A LEU 261.A N ALA 257.A O no hydrogen 3.089 N/A SER 262.A N GLU 258.A O no hydrogen 3.149 N/A SER 262.A OG GLU 258.A O no hydrogen 3.111 N/A LEU 263.A N TYR 259.A O no hydrogen 2.880 N/A LYS 264.A N ASP 260.A O no hydrogen 2.998 N/A GLN 265.A N LEU 261.A O no hydrogen 3.486 N/A GLY 267.A N LYS 264.A O no hydrogen 2.943 N/A ILE 268.A N LEU 263.A O no hydrogen 2.669 N/A GLU 274.A N GLN 135.A OE1 no hydrogen 2.891 N/A ASN 277.A N GLU 274.A O no hydrogen 2.864 N/A ASN 277.A ND2 GLN 135.A OE1 no hydrogen 2.990 N/A ASN 277.A ND2 CYS 136.A O no hydrogen 3.432 N/A ILE 278.A N SER 164.A O no hydrogen 2.903 N/A VAL 280.A N GLY 134.A O no hydrogen 3.054 N/A TYR 281.A N SER 279.A OG no hydrogen 2.951 N/A GLN 283.A N TYR 133.A O no hydrogen 3.412 N/A TYR 284.A OH ASP 260.A OD1 no hydrogen 2.497 N/A THR 285.A OG1 SER 338.A OG no hydrogen 3.071 N/A VAL 286.A N MET 337.A O no hydrogen 2.955 N/A ARG 287.A NH1 GLN 335.A OE1 no hydrogen 3.142 N/A ARG 287.A NH2 PRO 106.A O no hydrogen 2.947 N/A MET 288.A N GLN 335.A O no hydrogen 2.818 N/A ARG 291.A NH1 ALA 333.A O no hydrogen 3.073 N/A ARG 291.A NH1 VAL 336.A O no hydrogen 2.800 N/A ARG 291.A NH2 ALA 333.A O no hydrogen 3.104 N/A SER 293.A N ASN 290.A O no hydrogen 3.206 N/A GLN 295.A N ARG 291.A O no hydrogen 2.751 N/A GLN 295.A NE2 THR 305.A OG1 no hydrogen 2.695 N/A SER 297.A N SER 293.A O no hydrogen 3.172 N/A LEU 298.A N VAL 294.A O no hydrogen 2.805 N/A LYS 299.A N GLN 295.A O no hydrogen 2.927 N/A ALA 300.A N ALA 296.A O no hydrogen 3.079 N/A GLY 302.A N LYS 299.A O no hydrogen 2.840 N/A VAL 303.A N LEU 298.A O no hydrogen 2.787 N/A ALA 306.A N SER 338.A O no hydrogen 3.161 N/A LEU 313.A N GLY 82.A O no hydrogen 2.811 N/A ASN 314.A ND2 ASP 330.A OD1 no hydrogen 2.916 N/A LYS 315.A N PRO 312.A O no hydrogen 3.019 N/A GLN 316.A N LEU 313.A O no hydrogen 3.088 N/A GLN 316.A NE2 ILE 311.A O no hydrogen 3.310 N/A VAL 319.A N GLN 316.A O no hydrogen 3.054 N/A ASP 321.A N ASN 314.A O no hydrogen 2.859 N/A LYS 323.A N ASP 321.A OD2 no hydrogen 3.339 N/A ALA 324.A N ASP 321.A O no hydrogen 3.313 N/A VAL 328.A N ASP 103.A OD2 no hydrogen 2.933 N/A GLY 329.A N ASP 103.A OD1 no hydrogen 2.848 N/A ASP 330.A N LEU 326.A O no hydrogen 2.996 N/A LYS 331.A N PRO 327.A O no hydrogen 2.996 N/A ALA 332.A N VAL 328.A O no hydrogen 2.889 N/A ALA 333.A N GLY 329.A O no hydrogen 3.042 N/A THR 334.A N LYS 331.A O no hydrogen 2.916 N/A THR 334.A OG1 LYS 331.A O no hydrogen 2.638 N/A GLN 335.A N ALA 332.A O no hydrogen 2.928 N/A VAL 336.A N ALA 332.A O no hydrogen 2.908 N/A MET 337.A N VAL 286.A O no hydrogen 2.842 N/A SER 338.A N ALA 306.A O no hydrogen 2.829 N/A SER 338.A OG THR 285.A OG1 no hydrogen 3.071 N/A LEU 339.A N TYR 284.A O no hydrogen 2.964 N/A MET 341.A N PHE 4.A O no hydrogen 3.064 N/A TYR 344.A OH GLU 248.A OE2 no hydrogen 2.611 N/A LEU 345.A N HIS 342.A O no hydrogen 3.452 N/A SER 349.A N ASP 346.A OD2 no hydrogen 2.721 N/A SER 349.A OG ASP 346.A OD2 no hydrogen 2.518 N/A ILE 350.A N ASP 346.A O no hydrogen 3.139 N/A LYS 351.A N THR 347.A O no hydrogen 2.909 N/A ILE 352.A N ALA 348.A O no hydrogen 3.124 N/A ILE 353.A N SER 349.A O no hydrogen 2.887 N/A CYS 354.A N ILE 350.A O no hydrogen 3.278 N/A CYS 354.A SG ILE 350.A O no hydrogen 3.412 N/A THR 358.A OG1 ALA 355.A O no hydrogen 3.316 N/A