Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4w9x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NH2 VAL 1.A O no hydrogen 3.417 N/A PHE 6.A N VAL 13.A O no hydrogen 2.996 N/A VAL 8.A N HIS 11.A O no hydrogen 2.849 N/A ARG 10.A N ASP 75.A OD2 no hydrogen 2.938 N/A ARG 10.A NE ASP 75.A OD2 no hydrogen 3.023 N/A ARG 10.A NH2 LEU 74.A O no hydrogen 2.853 N/A HIS 11.A N VAL 8.A O no hydrogen 2.971 N/A HIS 11.A ND1 ASP 75.A OD2 no hydrogen 2.942 N/A VAL 13.A N PHE 6.A O no hydrogen 2.942 N/A THR 14.A N ARG 31.A O no hydrogen 2.787 N/A LEU 15.A N ARG 4.A O no hydrogen 2.825 N/A GLU 16.A N LEU 29.A O no hydrogen 2.906 N/A GLU 17.A N LEU 29.A O no hydrogen 3.308 N/A LEU 19.A N VAL 27.A O no hydrogen 2.683 N/A ALA 20.A N VAL 27.A O no hydrogen 3.052 N/A GLY 22.A N SER 25.A O no hydrogen 2.741 N/A THR 26.A N ARG 42.A O no hydrogen 3.145 N/A VAL 27.A N ALA 20.A O no hydrogen 2.699 N/A PHE 28.A N LEU 40.A O no hydrogen 2.750 N/A LEU 29.A N GLU 17.A O no hydrogen 2.813 N/A VAL 30.A N CYS 38.A O no hydrogen 2.833 N/A ARG 31.A N THR 14.A O no hydrogen 2.898 N/A ARG 31.A NE GLU 16.A OE1 no hydrogen 3.208 N/A THR 32.A N ILE 36.A O no hydrogen 2.909 N/A GLY 35.A N THR 32.A O no hydrogen 2.710 N/A ILE 36.A N THR 32.A OG1 no hydrogen 3.116 N/A CYS 38.A N VAL 30.A O no hydrogen 2.903 N/A CYS 38.A SG ILE 36.A O no hydrogen 3.833 N/A ALA 39.A N MET 89.A O no hydrogen 2.919 N/A LEU 40.A N PHE 28.A O no hydrogen 2.751 N/A LYS 41.A N ILE 87.A O no hydrogen 2.890 N/A LYS 41.A NZ GLU 57.A OE2 no hydrogen 2.450 N/A LYS 41.A NZ ASP 156.A OD1 no hydrogen 3.318 N/A ARG 42.A N THR 26.A O no hydrogen 3.029 N/A MET 43.A N VAL 85.A O no hydrogen 2.685 N/A VAL 45.A N TRP 83.A O no hydrogen 2.813 N/A ASN 47.A ND2 ASN 46.A OD1 no hydrogen 3.000 N/A ASP 50.A N ASN 47.A OD1 no hydrogen 2.872 N/A LEU 51.A N ASN 47.A O no hydrogen 3.008 N/A ASN 52.A N MET 48.A O no hydrogen 2.808 N/A ASN 52.A ND2 MET 48.A O no hydrogen 2.832 N/A VAL 53.A N PRO 49.A O no hydrogen 3.154 N/A CYS 54.A N ASP 50.A O no hydrogen 3.161 N/A CYS 54.A SG ASP 50.A O no hydrogen 3.450 N/A LYS 55.A N LEU 51.A O no hydrogen 2.809 N/A ARG 56.A N ASN 52.A O no hydrogen 3.020 N/A GLU 57.A N VAL 53.A O no hydrogen 3.074 N/A ILE 58.A N CYS 54.A O no hydrogen 3.164 N/A THR 59.A N LYS 55.A O no hydrogen 3.037 N/A THR 59.A OG1 LYS 55.A O no hydrogen 2.832 N/A ILE 60.A N ARG 56.A O no hydrogen 2.830 N/A MET 61.A N GLU 57.A O no hydrogen 3.099 N/A LYS 62.A N ILE 58.A O no hydrogen 2.890 N/A GLU 63.A N THR 59.A O no hydrogen 2.885 N/A LEU 64.A N ILE 60.A O no hydrogen 2.820 N/A SER 65.A N MET 61.A O no hydrogen 3.004 N/A SER 65.A OG MET 61.A O no hydrogen 2.850 N/A HIS 67.A N LEU 64.A O no hydrogen 3.180 N/A LYS 68.A NZ ASN 69.A OD1 no hydrogen 2.870 N/A LYS 68.A NZ GLU 122.A OE1 no hydrogen 3.126 N/A LYS 68.A NZ GLU 122.A OE2 no hydrogen 3.270 N/A ASN 69.A N HIS 67.A ND1 no hydrogen 2.996 N/A ASN 69.A ND2 TYR 152.A O no hydrogen 2.936 N/A ILE 70.A N HIS 67.A O no hydrogen 3.151 N/A VAL 71.A N LEU 154.A O no hydrogen 3.057 N/A GLY 72.A N GLU 90.A OE1 no hydrogen 3.382 N/A LEU 74.A N LEU 88.A O no hydrogen 2.881 N/A ASP 75.A N LEU 88.A O no hydrogen 3.194 N/A CYS 76.A N ASP 75.A OD1 no hydrogen 3.170 N/A CYS 76.A SG TYR 73.A OH no hydrogen 3.270 N/A ALA 77.A N LEU 86.A O no hydrogen 2.907 N/A ASN 79.A N GLU 84.A O no hydrogen 2.902 N/A ASN 79.A ND2 GLU 84.A OE2 no hydrogen 3.040 N/A TRP 83.A N VAL 45.A O no hydrogen 2.490 N/A GLU 84.A N ASN 79.A O no hydrogen 2.661 N/A VAL 85.A N MET 43.A O no hydrogen 2.657 N/A LEU 86.A N ALA 77.A O no hydrogen 2.967 N/A ILE 87.A N LYS 41.A O no hydrogen 2.903 N/A LEU 88.A N ASP 75.A O no hydrogen 2.736 N/A MET 89.A N ALA 39.A O no hydrogen 2.732 N/A GLU 90.A N GLY 72.A O no hydrogen 2.882 N/A ARG 93.A N ASP 148.A OD1 no hydrogen 3.260 N/A GLY 95.A N CYS 92.A O no hydrogen 2.955 N/A VAL 97.A N ILE 144.A O no hydrogen 2.896 N/A ASN 99.A N GLN 96.A O no hydrogen 3.138 N/A ASN 99.A ND2 ALA 94.A O no hydrogen 3.670 N/A GLN 100.A NE2 ALA 94.A O no hydrogen 3.612 N/A MET 101.A N VAL 97.A O no hydrogen 3.064 N/A ASN 102.A N VAL 98.A O no hydrogen 3.000 N/A LYS 103.A N ASN 99.A O no hydrogen 3.045 N/A LYS 104.A N GLN 100.A O no hydrogen 3.098 N/A THR 109.A N GLU 112.A OE1 no hydrogen 2.999 N/A GLU 112.A N THR 109.A OG1 no hydrogen 3.198 N/A VAL 113.A N THR 109.A O no hydrogen 2.962 N/A LEU 114.A N GLU 110.A O no hydrogen 2.971 N/A GLN 115.A N PRO 111.A O no hydrogen 2.974 N/A GLN 115.A NE2 GLN 115.A O no hydrogen 3.074 N/A ILE 116.A N GLU 112.A O no hydrogen 2.998 N/A PHE 117.A N VAL 113.A O no hydrogen 2.898 N/A CYS 118.A N LEU 114.A O no hydrogen 2.811 N/A CYS 118.A SG LEU 114.A O no hydrogen 3.260 N/A ASP 119.A N GLN 115.A O no hydrogen 3.095 N/A THR 120.A N ILE 116.A O no hydrogen 2.989 N/A THR 120.A OG1 ILE 116.A O no hydrogen 2.860 N/A CYS 121.A N PHE 117.A O no hydrogen 2.869 N/A CYS 121.A SG PHE 117.A O no hydrogen 3.378 N/A GLU 122.A N CYS 118.A O no hydrogen 3.060 N/A ALA 123.A N ASP 119.A O no hydrogen 3.032 N/A VAL 124.A N THR 120.A O no hydrogen 2.837 N/A ALA 125.A N CYS 121.A O no hydrogen 2.888 N/A ARG 126.A N GLU 122.A O no hydrogen 3.020 N/A ARG 126.A NH1 ARG 126.A O no hydrogen 2.895 N/A LEU 127.A N ALA 123.A O no hydrogen 3.325 N/A HIS 128.A N VAL 124.A O no hydrogen 2.862 N/A HIS 128.A NE2 ASP 206.A OD2 no hydrogen 2.837 N/A GLN 129.A N ALA 125.A O no hydrogen 2.945 N/A GLN 129.A NE2 SER 284.A O no hydrogen 2.879 N/A CYS 130.A SG ARG 126.A O no hydrogen 3.337 N/A CYS 130.A SG LEU 127.A O no hydrogen 3.483 N/A ILE 134.A N LEU 127.A O no hydrogen 2.933 N/A ILE 135.A N THR 161.A O no hydrogen 2.762 N/A HIS 136.A N ASP 206.A OD2 no hydrogen 2.816 N/A ARG 137.A N ASP 206.A OD1 no hydrogen 2.972 N/A ARG 137.A NE SER 159.A O no hydrogen 2.749 N/A ARG 137.A NH2 SER 159.A O no hydrogen 3.099 N/A ASP 138.A N HIS 136.A ND1 no hydrogen 3.088 N/A LYS 140.A NZ ASP 138.A OD2 no hydrogen 2.951 N/A LYS 140.A NZ ASN 143.A OD1 no hydrogen 2.991 N/A VAL 141.A N TYR 187.A OH no hydrogen 3.268 N/A GLU 142.A N GLU 142.A OE1 no hydrogen 2.898 N/A ASN 143.A N LYS 140.A O no hydrogen 3.038 N/A ASN 143.A ND2 CYS 155.A O no hydrogen 3.170 N/A ILE 144.A N VAL 141.A O no hydrogen 3.194 N/A LEU 145.A N VAL 153.A O no hydrogen 2.868 N/A LEU 146.A N GLY 95.A O no hydrogen 3.108 N/A ASN 147.A N ASN 151.A O no hydrogen 2.885 N/A GLY 150.A N ASN 147.A O no hydrogen 2.755 N/A ASN 151.A N ASN 147.A OD1 no hydrogen 2.791 N/A TYR 152.A N ASP 119.A OD2 no hydrogen 2.908 N/A VAL 153.A N LEU 145.A O no hydrogen 2.753 N/A LEU 154.A N ASN 69.A O no hydrogen 2.894 N/A CYS 155.A N ASN 143.A O no hydrogen 2.883 N/A CYS 155.A SG ASN 143.A O no hydrogen 3.466 N/A GLY 158.A N ASP 156.A OD1 no hydrogen 3.024 N/A SER 159.A OG TYR 182.A O no hydrogen 2.710 N/A ALA 160.A N PHE 157.A O no hydrogen 3.118 N/A THR 161.A N ILE 135.A O no hydrogen 2.908 N/A LYS 163.A N THR 161.A OG1 no hydrogen 3.041 N/A ASN 166.A N ASP 170.A OD2 no hydrogen 2.694 N/A GLN 168.A N ASN 166.A OD1 no hydrogen 2.862 N/A GLN 168.A NE2 LEU 195.A O no hydrogen 3.148 N/A LYS 169.A N ASN 166.A O no hydrogen 3.160 N/A ASP 170.A N ASN 166.A O no hydrogen 2.737 N/A GLY 171.A N PRO 167.A O no hydrogen 2.940 N/A VAL 175.A N GLY 171.A O no hydrogen 3.090 N/A GLU 176.A N VAL 172.A O no hydrogen 2.776 N/A GLU 177.A N ASN 173.A O no hydrogen 3.135 N/A GLU 178.A N VAL 174.A O no hydrogen 3.104 N/A ILE 179.A N VAL 175.A O no hydrogen 3.122 N/A LYS 180.A N GLU 176.A O no hydrogen 3.129 N/A LYS 181.A N GLU 177.A O no hydrogen 3.112 N/A TYR 182.A N GLU 178.A O no hydrogen 2.880 N/A THR 183.A N ILE 179.A O no hydrogen 2.989 N/A THR 183.A OG1 ILE 179.A O no hydrogen 2.490 N/A THR 184.A OG1 ASP 138.A OD1 no hydrogen 2.631 N/A SER 186.A OG GLY 225.A O no hydrogen 2.783 N/A TYR 187.A N THR 184.A O no hydrogen 3.153 N/A ARG 188.A N LEU 185.A O no hydrogen 3.004 N/A ARG 188.A NE THR 183.A OG1 no hydrogen 2.620 N/A ARG 188.A NH2 ILE 179.A O no hydrogen 3.552 N/A ARG 188.A NH2 THR 183.A O no hydrogen 3.072 N/A ARG 188.A NH2 THR 183.A OG1 no hydrogen 3.387 N/A GLU 191.A N GLU 191.A OE1 no hydrogen 2.951 N/A MET 192.A N ALA 189.A O no hydrogen 2.936 N/A ILE 193.A N PRO 190.A O no hydrogen 2.870 N/A ASN 194.A N PRO 190.A O no hydrogen 2.851 N/A TYR 196.A N ASN 194.A OD1 no hydrogen 3.020 N/A LYS 199.A NZ ASP 259.A OD1 no hydrogen 2.753 N/A ILE 201.A N LEU 165.A O no hydrogen 2.829 N/A LYS 204.A N THR 202.A OG1 no hydrogen 3.167 N/A LYS 204.A NZ PRO 260.A O no hydrogen 2.968 N/A LYS 204.A NZ ARG 263.A O no hydrogen 2.743 N/A ALA 205.A N THR 202.A O no hydrogen 3.043 N/A ASP 206.A N THR 203.A O no hydrogen 3.014 N/A TRP 208.A N LYS 204.A O no hydrogen 3.315 N/A ALA 209.A N ALA 205.A O no hydrogen 3.276 N/A LEU 210.A N ASP 206.A O no hydrogen 2.874 N/A GLY 211.A N ILE 207.A O no hydrogen 3.070 N/A CYS 212.A N TRP 208.A O no hydrogen 3.136 N/A CYS 212.A SG SER 186.A O no hydrogen 3.780 N/A CYS 212.A SG TRP 208.A O no hydrogen 3.717 N/A LEU 213.A N ALA 209.A O no hydrogen 2.783 N/A LEU 214.A N LEU 210.A O no hydrogen 3.037 N/A TYR 215.A N GLY 211.A O no hydrogen 3.095 N/A TYR 215.A OH THR 237.A O no hydrogen 3.034 N/A LYS 216.A N CYS 212.A O no hydrogen 2.854 N/A LEU 217.A N LEU 213.A O no hydrogen 2.864 N/A CYS 218.A N LEU 214.A O no hydrogen 3.102 N/A CYS 218.A N TYR 215.A O no hydrogen 3.196 N/A CYS 218.A SG LEU 214.A O no hydrogen 3.493 N/A PHE 219.A N TYR 215.A O no hydrogen 2.874 N/A PHE 220.A N LYS 216.A O no hydrogen 2.771 N/A GLY 225.A N LEU 222.A O no hydrogen 3.434 N/A SER 227.A N PHE 224.A O no hydrogen 2.983 N/A GLN 228.A N GLN 228.A OE1 no hydrogen 2.869 N/A ALA 230.A N SER 227.A OG no hydrogen 2.997 N/A ILE 231.A N SER 227.A O no hydrogen 3.025 N/A CYS 232.A N GLN 228.A O no hydrogen 3.047 N/A CYS 232.A SG GLN 228.A O no hydrogen 3.394 N/A ASP 233.A N VAL 229.A O no hydrogen 3.090 N/A GLY 234.A N ILE 231.A O no hydrogen 2.914 N/A ASN 235.A N ALA 230.A O no hydrogen 2.895 N/A THR 237.A OG1 ILE 238.A O no hydrogen 3.478 N/A SER 242.A N PRO 239.A O no hydrogen 3.132 N/A SER 242.A OG HIS 249.A NE2 no hydrogen 2.673 N/A TYR 244.A N SER 242.A OG no hydrogen 3.112 N/A TYR 244.A OH PHE 108.A O no hydrogen 2.801 N/A SER 245.A N GLU 110.A OE1 no hydrogen 2.767 N/A SER 245.A OG GLU 110.A OE1 no hydrogen 3.433 N/A SER 245.A OG GLU 110.A OE2 no hydrogen 2.635 N/A ILE 248.A N SER 245.A OG no hydrogen 3.353 N/A HIS 249.A N SER 245.A O no hydrogen 3.220 N/A HIS 249.A NE2 SER 242.A OG no hydrogen 2.673 N/A CYS 250.A N ARG 246.A O no hydrogen 2.814 N/A CYS 250.A SG ARG 246.A O no hydrogen 3.244 N/A LEU 251.A N ASN 247.A O no hydrogen 2.985 N/A ILE 252.A N ILE 248.A O no hydrogen 3.039 N/A ARG 253.A N HIS 249.A O no hydrogen 3.100 N/A ARG 253.A NH1 ARG 253.A O no hydrogen 2.949 N/A ARG 253.A NH1 GLU 257.A OE1 no hydrogen 2.906 N/A PHE 254.A N CYS 250.A O no hydrogen 2.821 N/A MET 255.A N LEU 251.A O no hydrogen 3.312 N/A LEU 256.A N ILE 252.A O no hydrogen 3.142 N/A GLU 257.A N MET 255.A O no hydrogen 2.896 N/A GLU 261.A N ASP 259.A OD1 no hydrogen 3.082 N/A HIS 262.A N ASP 259.A O no hydrogen 2.867 N/A HIS 262.A ND1 ASP 259.A OD2 no hydrogen 3.041 N/A ARG 263.A N PRO 260.A O no hydrogen 3.077 N/A ARG 263.A NE GLU 257.A O no hydrogen 2.865 N/A ARG 263.A NH1 GLU 191.A OE1 no hydrogen 3.505 N/A ARG 263.A NH1 GLU 191.A OE2 no hydrogen 2.775 N/A ARG 263.A NH1 LYS 204.A O no hydrogen 2.708 N/A ARG 263.A NH2 GLU 191.A OE1 no hydrogen 2.841 N/A ARG 263.A NH2 GLU 257.A O no hydrogen 3.017 N/A ARG 263.A NH2 PRO 258.A O no hydrogen 3.015 N/A ASP 265.A N GLN 268.A OE1 no hydrogen 2.798 N/A GLN 268.A N ASP 265.A OD1 no hydrogen 3.033 N/A GLN 268.A NE2 SER 290.A O no hydrogen 2.799 N/A VAL 269.A N ASP 265.A O no hydrogen 3.184 N/A SER 270.A N ILE 266.A O no hydrogen 2.917 N/A SER 270.A OG ILE 266.A O no hydrogen 2.734 N/A TYR 271.A N PHE 267.A O no hydrogen 2.817 N/A ALA 273.A N VAL 269.A O no hydrogen 3.035 N/A PHE 274.A N SER 270.A O no hydrogen 2.856 N/A LYS 275.A N TYR 271.A O no hydrogen 3.089 N/A PHE 276.A N PHE 272.A O no hydrogen 2.749 N/A ALA 277.A N ALA 273.A O no hydrogen 3.066 N/A ALA 277.A N PHE 274.A O no hydrogen 3.058 N/A ALA 278.A N LYS 275.A O no hydrogen 2.893 N/A ALA 279.A N PHE 274.A O no hydrogen 2.936 N/A CYS 281.A SG VAL 283.A O no hydrogen 3.668 N/A ASN 285.A ND2 SER 289.A O no hydrogen 2.800 N/A ASN 287.A ND2 ASP 265.A OD2 no hydrogen 2.851 N/A ASN 288.A N ASN 285.A O no hydrogen 2.963 N/A SER 289.A N ASN 285.A OD1 no hydrogen 2.872 N/A SER 289.A OG ASP 265.A OD2 no hydrogen 2.488 N/A SER 293.A OG LEU 295.A O no hydrogen 2.847 N/A