Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4e79_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 GLN 3.A O no hydrogen 2.750 N/A TYR 4.A N PHE 25.A O no hydrogen 3.067 N/A ARG 5.A N GLU 8.A OE2 no hydrogen 3.159 N/A ARG 5.A NE ASP 7.A OD1 no hydrogen 2.959 N/A ARG 5.A NH1 ASP 7.A OD2 no hydrogen 2.899 N/A LEU 6.A N LEU 23.A O no hydrogen 2.758 N/A ASP 7.A N GLY 21.A O no hydrogen 2.921 N/A LEU 9.A N ARG 5.A O no hydrogen 3.193 N/A ALA 10.A N LEU 6.A O no hydrogen 3.013 N/A HIS 11.A N ASP 7.A O no hydrogen 3.005 N/A LEU 12.A N GLU 8.A O no hydrogen 2.902 N/A LYS 14.A N HIS 11.A O no hydrogen 2.898 N/A GLY 15.A N ALA 10.A O no hydrogen 2.767 N/A GLU 16.A N ILE 77.A O no hydrogen 2.823 N/A ILE 18.A N PHE 75.A O no hydrogen 3.064 N/A SER 22.A N GLU 20.A OE2 no hydrogen 3.003 N/A SER 22.A OG GLU 20.A OE2 no hydrogen 2.841 N/A LEU 23.A N GLU 20.A O no hydrogen 3.190 N/A PHE 25.A N TYR 4.A O no hydrogen 2.913 N/A SER 26.A N ASN 37.A O no hydrogen 2.965 N/A SER 26.A OG ASN 37.A O no hydrogen 3.383 N/A ALA 29.A N LEU 39.A O no hydrogen 3.114 N/A ASN 33.A N SER 30.A OG no hydrogen 3.361 N/A ALA 34.A N SER 30.A O no hydrogen 2.858 N/A HIS 38.A N GLU 35.A O no hydrogen 2.737 N/A LEU 39.A N ASN 27.A O no hydrogen 3.115 N/A THR 40.A N ALA 58.A O no hydrogen 3.069 N/A THR 40.A OG1 ALA 29.A O no hydrogen 2.737 N/A PHE 41.A N THR 40.A OG1 no hydrogen 2.768 N/A VAL 42.A N ILE 60.A O no hydrogen 3.096 N/A HIS 47.A N GLY 44.A O no hydrogen 3.220 N/A LEU 48.A N GLU 45.A O no hydrogen 3.434 N/A GLN 50.A NE2 GLU 32.A OE2 no hydrogen 2.432 N/A ALA 51.A N HIS 47.A O no hydrogen 3.056 N/A LYS 52.A N LEU 48.A O no hydrogen 2.887 N/A LYS 52.A NZ HIS 68.A O no hydrogen 2.821 N/A VAL 53.A N GLN 50.A O no hydrogen 3.065 N/A SER 54.A N ALA 51.A O no hydrogen 2.929 N/A SER 54.A OG LEU 31.A O no hydrogen 3.163 N/A ALA 56.A N SER 54.A OG no hydrogen 3.070 N/A GLY 57.A N HIS 38.A O no hydrogen 3.044 N/A ALA 58.A N HIS 38.A O no hydrogen 3.441 N/A TYR 59.A N ASN 74.A O no hydrogen 2.767 N/A TYR 59.A OH ALA 56.A O no hydrogen 2.914 N/A ILE 60.A N THR 40.A O no hydrogen 2.877 N/A VAL 61.A N ILE 76.A O no hydrogen 2.991 N/A THR 62.A OG1 VAL 78.A O no hydrogen 3.322 N/A LYS 66.A N THR 62.A O no hydrogen 2.841 N/A GLU 67.A N ALA 64.A O no hydrogen 3.014 N/A HIS 68.A N LEU 65.A O no hydrogen 3.073 N/A LEU 69.A N LYS 66.A O no hydrogen 3.059 N/A LYS 72.A N LEU 69.A O no hydrogen 2.981 N/A LYS 72.A NZ ALA 51.A O no hydrogen 2.677 N/A LYS 72.A NZ LYS 52.A O no hydrogen 3.012 N/A LYS 72.A NZ SER 54.A O no hydrogen 3.188 N/A LYS 72.A NZ TYR 59.A OH no hydrogen 3.186 N/A ASN 74.A ND2 GLY 57.A O no hydrogen 3.151 N/A PHE 75.A N ILE 18.A O no hydrogen 2.817 N/A ILE 76.A N TYR 59.A O no hydrogen 2.920 N/A ILE 77.A N GLU 16.A O no hydrogen 2.702 N/A VAL 78.A N VAL 61.A O no hydrogen 3.149 N/A ALA 84.A N ASN 80.A O no hydrogen 3.168 N/A PHE 85.A N PRO 81.A O no hydrogen 2.854 N/A ALA 86.A N TYR 82.A O no hydrogen 2.735 N/A ILE 87.A N LEU 83.A O no hydrogen 2.793 N/A LEU 88.A N ALA 84.A O no hydrogen 3.050 N/A THR 89.A N PHE 85.A O no hydrogen 2.897 N/A THR 89.A OG1 ALA 86.A O no hydrogen 2.701 N/A VAL 91.A N LEU 88.A O no hydrogen 2.982 N/A PHE 92.A N THR 89.A O no hydrogen 3.180 N/A THR 99.A OG1 GLU 115.A O no hydrogen 2.895 N/A THR 99.A OG1 ALA 117.A O no hydrogen 3.309 N/A GLY 100.A N ALA 117.A O no hydrogen 3.074 N/A GLU 102.A N ILE 119.A O no hydrogen 2.997 N/A THR 104.A OG1 HIS 121.A ND1 no hydrogen 2.808 N/A ALA 105.A N GLU 102.A O no hydrogen 3.203 N/A ARG 106.A N VAL 123.A O no hydrogen 3.016 N/A HIS 108.A N ILE 125.A O no hydrogen 3.251 N/A HIS 108.A ND1 SER 110.A OG no hydrogen 2.887 N/A SER 110.A N HIS 108.A ND1 no hydrogen 3.062 N/A SER 110.A OG HIS 108.A ND1 no hydrogen 2.887 N/A ALA 111.A N HIS 108.A O no hydrogen 2.936 N/A VAL 112.A N CYS 129.A O no hydrogen 2.827 N/A SER 114.A N VAL 131.A O no hydrogen 2.988 N/A SER 114.A OG THR 116.A OG1 no hydrogen 2.987 N/A SER 114.A OG ASP 133.A OD1 no hydrogen 2.412 N/A GLU 115.A N GLU 115.A OE1 no hydrogen 2.699 N/A THR 116.A N SER 114.A OG no hydrogen 3.329 N/A THR 116.A OG1 SER 114.A OG no hydrogen 2.987 N/A ALA 117.A N SER 114.A O no hydrogen 3.040 N/A TYR 118.A N THR 135.A O no hydrogen 2.734 N/A TYR 118.A OH GLU 102.A OE1 no hydrogen 2.488 N/A ILE 119.A N GLY 100.A O no hydrogen 3.084 N/A GLY 120.A N ILE 137.A O no hydrogen 2.709 N/A HIS 121.A ND1 THR 104.A OG1 no hydrogen 2.808 N/A TYR 122.A N THR 104.A OG1 no hydrogen 2.711 N/A VAL 124.A N THR 141.A O no hydrogen 3.136 N/A ILE 125.A N ARG 106.A O no hydrogen 3.221 N/A GLY 126.A N LEU 143.A O no hydrogen 2.716 N/A GLU 127.A N ASP 145.A OD1 no hydrogen 2.563 N/A ASN 128.A N SER 110.A OG no hydrogen 2.674 N/A CYS 129.A SG GLY 126.A O no hydrogen 3.357 N/A CYS 129.A SG GLU 127.A O no hydrogen 4.010 N/A CYS 129.A SG LEU 143.A O no hydrogen 3.857 N/A CYS 129.A SG ASP 144.A O no hydrogen 3.060 N/A VAL 130.A N VAL 147.A O no hydrogen 3.374 N/A VAL 131.A N VAL 112.A O no hydrogen 2.727 N/A GLY 132.A N VAL 149.A O no hydrogen 2.887 N/A ASN 134.A N THR 116.A OG1 no hydrogen 2.876 N/A THR 135.A N GLY 132.A O no hydrogen 3.337 N/A THR 135.A OG1 GLY 132.A O no hydrogen 3.491 N/A THR 135.A OG1 GLY 150.A O no hydrogen 2.878 N/A VAL 136.A N CYS 153.A O no hydrogen 3.026 N/A ILE 137.A N TYR 118.A O no hydrogen 2.777 N/A GLN 138.A N ILE 155.A O no hydrogen 2.828 N/A SER 139.A OG HIS 140.A ND1 no hydrogen 2.704 N/A HIS 140.A N HIS 121.A O no hydrogen 2.713 N/A HIS 140.A ND1 SER 139.A OG no hydrogen 2.704 N/A THR 141.A OG1 ASP 156.A O no hydrogen 2.412 N/A LYS 142.A N VAL 159.A O no hydrogen 2.881 N/A LEU 143.A N VAL 124.A O no hydrogen 2.679 N/A ASP 144.A N ILE 161.A O no hydrogen 3.084 N/A ASN 146.A N GLU 127.A O no hydrogen 2.894 N/A VAL 147.A N ASP 144.A O no hydrogen 3.370 N/A GLU 148.A N SER 165.A O no hydrogen 2.935 N/A VAL 149.A N VAL 130.A O no hydrogen 2.903 N/A GLY 150.A N LEU 167.A O no hydrogen 2.793 N/A LYS 151.A N ASP 169.A OD1 no hydrogen 2.683 N/A ASP 152.A N ASP 133.A O no hydrogen 2.832 N/A CYS 153.A N THR 135.A OG1 no hydrogen 3.056 N/A CYS 153.A SG LYS 151.A O no hydrogen 3.606 N/A CYS 153.A SG ARG 168.A O no hydrogen 3.038 N/A PHE 154.A N VAL 171.A O no hydrogen 2.759 N/A ILE 155.A N VAL 136.A O no hydrogen 2.857 N/A ASP 156.A N ILE 173.A O no hydrogen 3.051 N/A SER 157.A N ASP 156.A OD2 no hydrogen 2.805 N/A SER 157.A OG SER 139.A O no hydrogen 3.018 N/A VAL 159.A N THR 141.A OG1 no hydrogen 3.140 N/A THR 160.A N THR 177.A O no hydrogen 3.085 N/A ILE 161.A N LYS 142.A O no hydrogen 3.086 N/A THR 162.A N ILE 179.A O no hydrogen 2.774 N/A THR 162.A OG1 ASP 144.A OD2 no hydrogen 3.058 N/A GLY 163.A N THR 162.A OG1 no hydrogen 2.641 N/A SER 165.A N THR 162.A O no hydrogen 3.182 N/A SER 165.A OG THR 162.A O no hydrogen 2.967 N/A LYS 166.A N VAL 202.A O no hydrogen 2.921 N/A LYS 166.A NZ ASN 146.A O no hydrogen 2.693 N/A LYS 166.A NZ SER 164.A O no hydrogen 3.088 N/A LEU 167.A N GLU 148.A O no hydrogen 2.623 N/A ARG 168.A N ILE 204.A O no hydrogen 2.931 N/A ASP 169.A N ASN 206.A OD1 no hydrogen 3.287 N/A ARG 170.A N LYS 151.A O no hydrogen 2.661 N/A ARG 170.A NE ASP 207.A OD2 no hydrogen 2.396 N/A ARG 170.A NH2 ASP 207.A OD1 no hydrogen 3.229 N/A ARG 172.A N VAL 208.A O no hydrogen 2.788 N/A ILE 173.A N PHE 154.A O no hydrogen 2.875 N/A HIS 174.A N ILE 210.A O no hydrogen 2.891 N/A SER 175.A OG SER 157.A O no hydrogen 3.057 N/A SER 176.A N SER 157.A O no hydrogen 2.999 N/A SER 176.A OG ASN 213.A OD1 no hydrogen 2.936 N/A THR 177.A OG1 HIS 174.A O no hydrogen 3.253 N/A THR 177.A OG1 GLY 211.A O no hydrogen 2.537 N/A VAL 178.A N CYS 214.A O no hydrogen 2.846 N/A ILE 179.A N THR 160.A O no hydrogen 2.631 N/A GLY 180.A N ILE 216.A O no hydrogen 2.753 N/A GLY 185.A N GLY 183.A O no hydrogen 3.194 N/A ALA 187.A N HIS 194.A O no hydrogen 2.796 N/A TYR 189.A N LYS 192.A O no hydrogen 3.018 N/A LYS 192.A N TYR 189.A O no hydrogen 2.912 N/A HIS 194.A N ALA 187.A O no hydrogen 2.837 N/A ARG 195.A NE GLU 182.A OE2 no hydrogen 2.570 N/A ARG 195.A NH2 GLU 182.A OE1 no hydrogen 2.757 N/A ARG 195.A NH2 GLU 182.A OE2 no hydrogen 3.224 N/A ILE 196.A N GLY 185.A O no hydrogen 2.983 N/A GLN 198.A NE2 ILE 196.A O no hydrogen 2.816 N/A LEU 199.A N ALA 220.A O no hydrogen 2.808 N/A GLY 200.A N GLY 219.A O no hydrogen 2.931 N/A SER 201.A N ASN 223.A OD1 no hydrogen 2.895 N/A SER 201.A OG GLY 163.A O no hydrogen 2.482 N/A LEU 203.A N THR 224.A O no hydrogen 2.942 N/A ILE 204.A N LYS 166.A O no hydrogen 2.930 N/A GLY 205.A N LEU 226.A O no hydrogen 2.895 N/A ASN 206.A N ASP 228.A OD1 no hydrogen 3.004 N/A ASN 206.A ND2 ASP 228.A OD2 no hydrogen 3.102 N/A ASP 207.A N ASP 169.A O no hydrogen 2.900 N/A ARG 209.A N VAL 230.A O no hydrogen 3.105 N/A ARG 209.A NH2 ILE 232.A O no hydrogen 3.297 N/A ARG 209.A NH2 ASP 233.A OD1 no hydrogen 3.381 N/A ILE 210.A N ARG 172.A O no hydrogen 2.690 N/A GLY 211.A N ILE 232.A O no hydrogen 3.020 N/A SER 212.A N ASN 234.A OD1 no hydrogen 2.629 N/A ASN 213.A N SER 175.A O no hydrogen 3.134 N/A CYS 214.A N THR 177.A OG1 no hydrogen 3.079 N/A CYS 214.A SG GLY 211.A O no hydrogen 3.438 N/A CYS 214.A SG SER 212.A O no hydrogen 3.712 N/A CYS 214.A SG ASP 233.A O no hydrogen 3.063 N/A SER 215.A N VAL 236.A O no hydrogen 3.053 N/A ILE 216.A N VAL 178.A O no hydrogen 3.004 N/A ASP 217.A N ILE 238.A O no hydrogen 2.963 N/A ARG 218.A N GLY 181.A O no hydrogen 2.887 N/A ARG 218.A NE GLN 198.A O no hydrogen 2.900 N/A ARG 218.A NH1 GLY 180.A O no hydrogen 2.764 N/A ARG 218.A NH2 GLN 198.A O no hydrogen 3.543 N/A GLY 219.A N SER 201.A O no hydrogen 3.239 N/A ALA 220.A N ASN 241.A OD1 no hydrogen 2.856 N/A THR 224.A N SER 201.A O no hydrogen 3.122 N/A THR 224.A OG1 ASP 217.A O no hydrogen 2.662 N/A THR 224.A OG1 ALA 239.A O no hydrogen 3.554 N/A ILE 225.A N VAL 242.A O no hydrogen 3.049 N/A LEU 226.A N LEU 203.A O no hydrogen 2.966 N/A GLU 227.A N ILE 244.A O no hydrogen 3.024 N/A GLY 229.A N ASN 206.A O no hydrogen 2.786 N/A VAL 230.A N GLU 227.A O no hydrogen 3.422 N/A ILE 231.A N THR 248.A O no hydrogen 3.079 N/A ILE 232.A N ARG 209.A O no hydrogen 2.851 N/A ASP 233.A N ILE 250.A O no hydrogen 2.824 N/A ASN 234.A N ASP 233.A OD1 no hydrogen 2.568 N/A LEU 235.A N SER 212.A O no hydrogen 2.941 N/A GLN 237.A N CYS 254.A O no hydrogen 2.954 N/A GLN 237.A NE2 ASP 217.A OD2 no hydrogen 3.275 N/A ILE 238.A N SER 215.A O no hydrogen 2.964 N/A ALA 239.A N ILE 256.A O no hydrogen 2.944 N/A ASN 241.A N THR 224.A OG1 no hydrogen 2.907 N/A VAL 242.A N ALA 239.A O no hydrogen 3.364 N/A HIS 243.A N THR 260.A O no hydrogen 3.009 N/A HIS 243.A NE2 GLU 227.A OE2 no hydrogen 3.066 N/A ILE 244.A N ILE 225.A O no hydrogen 2.950 N/A GLY 245.A N ILE 262.A O no hydrogen 2.641 N/A ASN 247.A N ASP 228.A O no hydrogen 3.137 N/A THR 248.A OG1 GLY 245.A O no hydrogen 3.417 N/A THR 248.A OG1 GLY 263.A O no hydrogen 2.714 N/A ALA 249.A N CYS 266.A O no hydrogen 2.806 N/A ILE 250.A N ILE 231.A O no hydrogen 2.766 N/A ALA 251.A N LEU 268.A O no hydrogen 3.015 N/A LYS 253.A N ASN 234.A O no hydrogen 3.019 N/A CYS 254.A SG ALA 251.A O no hydrogen 3.349 N/A CYS 254.A SG ALA 269.A O no hydrogen 3.025 N/A GLY 255.A N CYS 272.A O no hydrogen 3.043 N/A ILE 256.A N GLN 237.A O no hydrogen 2.758 N/A ALA 257.A N VAL 274.A O no hydrogen 2.923 N/A SER 259.A N HIS 240.A O no hydrogen 2.864 N/A THR 260.A OG1 ALA 275.A O no hydrogen 2.731 N/A LYS 261.A N LEU 278.A O no hydrogen 2.909 N/A ILE 262.A N HIS 243.A O no hydrogen 2.601 N/A GLY 263.A N ILE 280.A O no hydrogen 2.852 N/A LYS 264.A N ASP 282.A OD1 no hydrogen 3.007 N/A ASN 265.A N SER 246.A O no hydrogen 2.844 N/A CYS 266.A N THR 248.A OG1 no hydrogen 2.791 N/A CYS 266.A SG GLY 263.A O no hydrogen 3.850 N/A CYS 266.A SG LYS 264.A O no hydrogen 3.656 N/A CYS 266.A SG ALA 281.A O no hydrogen 3.169 N/A ILE 267.A N VAL 284.A O no hydrogen 2.756 N/A LEU 268.A N ALA 249.A O no hydrogen 3.030 N/A ALA 269.A N LEU 286.A O no hydrogen 2.835 N/A ALA 271.A N ALA 252.A O no hydrogen 2.874 N/A CYS 272.A SG ALA 269.A O no hydrogen 3.300 N/A CYS 272.A SG THR 287.A O no hydrogen 3.290 N/A GLY 273.A N SER 290.A O no hydrogen 2.777 N/A VAL 274.A N GLY 255.A O no hydrogen 3.000 N/A ALA 275.A N VAL 292.A O no hydrogen 2.883 N/A HIS 277.A N GLY 258.A O no hydrogen 3.232 N/A LEU 278.A N THR 260.A OG1 no hydrogen 2.904 N/A SER 279.A N ASN 295.A OD1 no hydrogen 2.781 N/A ILE 280.A N LYS 261.A O no hydrogen 2.868 N/A ALA 281.A N ILE 296.A O no hydrogen 2.993 N/A ASN 283.A N LYS 264.A O no hydrogen 2.889 N/A THR 285.A N GLY 300.A O no hydrogen 2.796 N/A LEU 286.A N ILE 267.A O no hydrogen 2.738 N/A THR 287.A N TYR 302.A O no hydrogen 3.185 N/A THR 287.A OG1 SER 290.A OG no hydrogen 3.251 N/A THR 287.A OG1 TYR 302.A O no hydrogen 3.179 N/A THR 287.A OG1 SER 303.A OG no hydrogen 2.352 N/A MET 289.A N GLY 270.A O no hydrogen 2.860 N/A SER 290.A N THR 287.A O no hydrogen 3.246 N/A SER 290.A OG THR 287.A O no hydrogen 2.533 N/A MET 291.A N SER 304.A OG no hydrogen 2.974 N/A VAL 292.A N GLY 273.A O no hydrogen 2.771 N/A ILE 296.A N SER 279.A O no hydrogen 3.007 N/A SER 297.A OG GLU 298.A OE1 no hydrogen 2.459 N/A GLY 300.A N ASN 283.A O no hydrogen 2.994 N/A TYR 302.A N THR 285.A O no hydrogen 2.759 N/A TYR 302.A OH GLU 298.A O no hydrogen 2.956 N/A SER 303.A OG THR 287.A OG1 no hydrogen 2.352 N/A THR 306.A OG1 GLY 307.A O no hydrogen 2.791 N/A ASN 312.A N GLU 310.A OE2 no hydrogen 2.784 N/A HIS 313.A N GLU 310.A OE1 no hydrogen 2.724 N/A TRP 314.A N GLU 310.A O no hydrogen 2.783 N/A LYS 315.A N ASN 311.A O no hydrogen 3.000 N/A LYS 315.A NZ ASN 311.A OD1 no hydrogen 3.336 N/A LYS 316.A N ASN 312.A O no hydrogen 3.258 N/A THR 317.A N HIS 313.A O no hydrogen 3.038 N/A THR 317.A OG1 HIS 313.A O no hydrogen 2.648 N/A ILE 318.A N TRP 314.A O no hydrogen 2.974 N/A VAL 319.A N LYS 315.A O no hydrogen 3.066 N/A ARG 320.A N LYS 316.A O no hydrogen 3.144 N/A LEU 321.A N THR 317.A O no hydrogen 2.796 N/A ARG 322.A N ILE 318.A O no hydrogen 3.013 N/A GLN 323.A N ARG 320.A O no hydrogen 3.061 N/A LEU 324.A N ARG 320.A O no hydrogen 3.060 N/A LEU 324.A N LEU 321.A O no hydrogen 3.070 N/A ASP 326.A N GLN 323.A O no hydrogen 2.801 N/A LEU 329.A N VAL 327.A O no hydrogen 2.704 N/A GLN 331.A N PRO 328.A O no hydrogen 2.783 N/A THR 333.A OG1 THR 330.A O no hydrogen 3.460 N/A ARG 335.A N GLN 331.A O no hydrogen 3.100 N/A LEU 336.A N ILE 332.A O no hydrogen 3.014 N/A ASP 337.A N THR 333.A O no hydrogen 3.022 N/A HIS 338.A N LYS 334.A O no hydrogen 3.093 N/A ILE 339.A N ARG 335.A O no hydrogen 2.961 N/A GLN 340.A N LEU 336.A O no hydrogen 2.830 N/A ALA 341.A N ASP 337.A O no hydrogen 3.082 N/A GLN 342.A N HIS 338.A O no hydrogen 3.282 N/A GLN 342.A N ILE 339.A O no hydrogen 3.043 N/A ILE 343.A N ILE 339.A O no hydrogen 3.216 N/A ILE 343.A N GLN 340.A O no hydrogen 3.285 N/A GLU 344.A N GLN 340.A O no hydrogen 2.876 N/A