Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gws_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N PHE 185.A O no hydrogen 2.766 N/A THR 6.A OG1 GLU 184.A OE2 no hydrogen 3.128 N/A ARG 7.A N THR 4.A OG1 no hydrogen 3.231 N/A PHE 8.A N THR 4.A O no hydrogen 3.053 N/A VAL 9.A N LEU 5.A O no hydrogen 2.973 N/A MET 10.A N THR 6.A O no hydrogen 3.459 N/A GLU 11.A N ARG 7.A O no hydrogen 3.230 N/A GLU 11.A N PHE 8.A O no hydrogen 3.101 N/A GLU 12.A N PHE 8.A O no hydrogen 3.072 N/A GLY 13.A N VAL 9.A O no hydrogen 2.937 N/A ARG 14.A N MET 10.A O no hydrogen 3.076 N/A LYS 15.A N GLU 11.A O no hydrogen 2.687 N/A ALA 16.A N GLU 12.A O no hydrogen 2.944 N/A ARG 17.A N ARG 14.A O no hydrogen 3.287 N/A GLY 18.A N GLY 13.A O no hydrogen 3.037 N/A GLN 24.A N GLY 20.A O no hydrogen 3.212 N/A LEU 25.A N GLU 21.A O no hydrogen 3.086 N/A LEU 26.A N MET 22.A O no hydrogen 3.015 N/A ASN 27.A N THR 23.A O no hydrogen 2.905 N/A ASN 27.A ND2 GLN 24.A OE1 no hydrogen 3.105 N/A SER 28.A N GLN 24.A O no hydrogen 2.931 N/A SER 28.A OG GLN 24.A O no hydrogen 2.665 N/A LEU 29.A N LEU 25.A O no hydrogen 3.014 N/A CYS 30.A N LEU 26.A O no hydrogen 2.838 N/A CYS 30.A SG LEU 26.A O no hydrogen 2.826 N/A THR 31.A N ASN 27.A O no hydrogen 2.945 N/A THR 31.A OG1 ASN 27.A O no hydrogen 3.334 N/A ALA 32.A N SER 28.A O no hydrogen 2.751 N/A VAL 33.A N LEU 29.A O no hydrogen 2.878 N/A LYS 34.A N CYS 30.A O no hydrogen 3.117 N/A LYS 34.A N THR 31.A O no hydrogen 3.137 N/A LYS 34.A NZ GLY 183.A O no hydrogen 3.311 N/A ALA 35.A N THR 31.A O no hydrogen 3.148 N/A ILE 36.A N ALA 32.A O no hydrogen 3.013 N/A HIS 37.A N VAL 33.A O no hydrogen 2.983 N/A ARG 38.A N LYS 34.A O no hydrogen 3.246 N/A ALA 39.A N ALA 35.A O no hydrogen 3.124 N/A VAL 40.A N ILE 36.A O no hydrogen 2.809 N/A VAL 40.A N HIS 37.A O no hydrogen 2.891 N/A ARG 41.A N HIS 37.A O no hydrogen 2.916 N/A ARG 41.A NH1 GLY 160.A O no hydrogen 3.015 N/A ARG 41.A NH2 GLY 160.A O no hydrogen 2.677 N/A ARG 41.A NH2 THR 163.A OG1 no hydrogen 3.158 N/A LYS 42.A N ALA 39.A O no hydrogen 3.419 N/A ALA 43.A N ARG 38.A O no hydrogen 3.212 N/A ILE 45.A N LYS 42.A O no hydrogen 3.108 N/A HIS 47.A N GLY 44.A O no hydrogen 3.131 N/A LEU 48.A N ILE 45.A O no hydrogen 2.778 N/A TYR 49.A N ALA 46.A O no hydrogen 3.360 N/A ILE 51.A N ALA 46.A O no hydrogen 3.225 N/A GLY 53.A N GLY 50.A O no hydrogen 3.214 N/A LYS 63.A NZ ASP 71.A OD2 no hydrogen 2.722 N/A VAL 67.A N ASP 66.A OD1 no hydrogen 3.137 N/A LEU 68.A N LYS 64.A O no hydrogen 3.129 N/A SER 69.A N LEU 65.A O no hydrogen 3.023 N/A SER 69.A OG LEU 65.A O no hydrogen 2.828 N/A ASN 70.A N ASP 66.A O no hydrogen 3.045 N/A ASN 70.A ND2 ASP 91.A OD1 no hydrogen 3.105 N/A ASP 71.A N VAL 67.A O no hydrogen 3.207 N/A LEU 72.A N LEU 68.A O no hydrogen 2.938 N/A VAL 73.A N SER 69.A O no hydrogen 3.041 N/A ILE 74.A N ASN 70.A O no hydrogen 2.850 N/A ASN 75.A N ASP 71.A O no hydrogen 2.990 N/A ASN 75.A ND2 ASP 71.A O no hydrogen 2.941 N/A VAL 76.A N LEU 72.A O no hydrogen 2.819 N/A LEU 77.A N VAL 73.A O no hydrogen 2.856 N/A LYS 78.A N ILE 74.A O no hydrogen 2.858 N/A SER 79.A N ASN 75.A O no hydrogen 2.983 N/A SER 79.A OG ASN 75.A O no hydrogen 3.125 N/A SER 80.A N LEU 77.A O no hydrogen 2.762 N/A SER 80.A OG LEU 77.A O no hydrogen 2.424 N/A PHE 81.A N LYS 78.A O no hydrogen 3.257 N/A ALA 82.A N SER 80.A OG no hydrogen 3.213 N/A CYS 84.A N TYR 105.A O no hydrogen 2.704 N/A CYS 84.A SG TYR 105.A O no hydrogen 3.471 N/A LEU 86.A N ILE 95.A O no hydrogen 2.973 N/A VAL 87.A N VAL 107.A O no hydrogen 2.779 N/A SER 88.A OG ASN 70.A OD1 no hydrogen 2.701 N/A GLU 89.A N PHE 109.A O no hydrogen 3.429 N/A GLU 90.A N SER 88.A OG no hydrogen 2.923 N/A ASP 91.A N SER 88.A O no hydrogen 2.781 N/A ILE 95.A N LEU 86.A O no hydrogen 2.938 N/A VAL 97.A N CYS 84.A O no hydrogen 3.051 N/A LYS 101.A N GLU 98.A O no hydrogen 2.937 N/A LYS 101.A NZ GLU 98.A OE1 no hydrogen 3.131 N/A ARG 102.A N PRO 99.A O no hydrogen 3.034 N/A ARG 102.A NE VAL 97.A O no hydrogen 3.061 N/A ARG 102.A NH1 GLU 138.A OE2 no hydrogen 2.963 N/A GLY 103.A N THR 83.A O no hydrogen 2.712 N/A LYS 104.A N GLU 21.A OE1 no hydrogen 3.162 N/A LYS 104.A NZ GLU 21.A OE1 no hydrogen 2.862 N/A TYR 105.A N ALA 82.A O no hydrogen 2.868 N/A VAL 106.A N TYR 131.A O no hydrogen 3.025 N/A VAL 107.A N VAL 85.A O no hydrogen 3.034 N/A CYS 108.A N GLY 129.A O no hydrogen 2.953 N/A PHE 109.A N VAL 87.A O no hydrogen 2.993 N/A ASP 110.A N ILE 127.A O no hydrogen 2.868 N/A ASP 113.A N GLY 125.A O no hydrogen 2.840 N/A ASN 117.A N GLY 114.A O no hydrogen 2.733 N/A ASN 117.A ND2 VAL 237.A O no hydrogen 2.959 N/A ASN 117.A ND2 SER 239.A OG no hydrogen 2.652 N/A ILE 118.A N SER 115.A O no hydrogen 3.246 N/A CYS 120.A SG ASN 117.A O no hydrogen 3.262 N/A CYS 120.A SG ASN 117.A OD1 no hydrogen 3.467 N/A LEU 121.A N ILE 118.A O no hydrogen 3.127 N/A VAL 122.A N ASN 117.A O no hydrogen 3.155 N/A GLY 125.A N ASP 113.A O no hydrogen 3.024 N/A THR 126.A N ALA 157.A O no hydrogen 2.832 N/A THR 126.A OG1 PRO 111.A O no hydrogen 2.818 N/A THR 126.A OG1 TYR 159.A OH no hydrogen 2.735 N/A ILE 127.A N ASP 110.A O no hydrogen 3.181 N/A PHE 128.A N GLY 155.A O no hydrogen 2.858 N/A GLY 129.A N CYS 108.A O no hydrogen 2.798 N/A ILE 130.A N ALA 153.A O no hydrogen 2.727 N/A TYR 131.A N VAL 106.A O no hydrogen 2.881 N/A TYR 131.A OH ASN 274.A OD1 no hydrogen 3.343 N/A LYS 133.A N LYS 104.A O no hydrogen 2.856 N/A LYS 133.A NZ SER 135.A O no hydrogen 3.139 N/A LYS 133.A NZ ASP 137.A O no hydrogen 2.363 N/A SER 135.A OG ASP 137.A OD1 no hydrogen 2.590 N/A SER 140.A N ASP 143.A OD1 no hydrogen 3.121 N/A LYS 142.A NZ ASP 137.A OD1 no hydrogen 2.933 N/A ASP 143.A N SER 140.A O no hydrogen 2.890 N/A ALA 144.A N GLU 141.A O no hydrogen 3.118 N/A LEU 145.A N LYS 142.A O no hydrogen 3.183 N/A GLN 146.A N ALA 144.A O no hydrogen 3.049 N/A ARG 149.A N LEU 295.A O no hydrogen 3.219 N/A ARG 149.A NE ASP 296.A OD2 no hydrogen 3.154 N/A ARG 149.A NH1 GLU 281.A OE2 no hydrogen 2.656 N/A ARG 149.A NH2 ASP 296.A OD2 no hydrogen 3.291 N/A ASN 150.A N PRO 147.A O no hydrogen 2.893 N/A LEU 151.A N GLY 148.A O no hydrogen 2.894 N/A VAL 152.A N ILE 130.A O no hydrogen 2.801 N/A ALA 154.A N ALA 168.A O no hydrogen 2.981 N/A GLY 155.A N PHE 128.A O no hydrogen 3.100 N/A TYR 156.A N VAL 166.A O no hydrogen 3.048 N/A TYR 156.A OH HIS 245.A ND1 no hydrogen 2.728 N/A ALA 157.A N THR 126.A O no hydrogen 2.756 N/A LEU 158.A N MET 164.A O no hydrogen 2.601 N/A TYR 159.A N ILE 124.A O no hydrogen 2.797 N/A TYR 159.A OH THR 126.A OG1 no hydrogen 2.735 N/A GLY 160.A N ALA 162.A O no hydrogen 2.998 N/A THR 163.A OG1 HIS 37.A ND1 no hydrogen 2.407 N/A MET 164.A N LEU 158.A O no hydrogen 2.985 N/A LEU 165.A N PHE 176.A O no hydrogen 2.947 N/A VAL 166.A N TYR 156.A O no hydrogen 2.683 N/A LEU 167.A N ASN 174.A O no hydrogen 3.095 N/A ALA 168.A N ALA 154.A O no hydrogen 2.913 N/A MET 169.A N GLY 172.A O no hydrogen 3.211 N/A GLY 172.A N MET 169.A O no hydrogen 2.963 N/A ASN 174.A N LEU 167.A O no hydrogen 2.996 N/A CYS 175.A N ASP 189.A O no hydrogen 3.071 N/A PHE 176.A N LEU 165.A O no hydrogen 2.892 N/A MET 177.A N ILE 186.A O no hydrogen 2.819 N/A TYR 178.A N THR 163.A O no hydrogen 2.811 N/A ASP 179.A N GLU 184.A O no hydrogen 2.771 N/A ALA 181.A N ASP 179.A OD1 no hydrogen 2.795 N/A ILE 182.A N ASP 179.A O no hydrogen 3.222 N/A GLU 184.A N ASP 179.A O no hydrogen 3.229 N/A ILE 186.A N MET 177.A O no hydrogen 2.612 N/A LEU 187.A N VAL 3.A O no hydrogen 2.787 N/A VAL 188.A N CYS 175.A O no hydrogen 3.092 N/A ASP 189.A N CYS 175.A O no hydrogen 3.304 N/A ASP 191.A N ASN 174.A OD1 no hydrogen 2.797 N/A VAL 192.A N VAL 173.A O no hydrogen 2.689 N/A ILE 194.A N ALA 283.A O no hydrogen 2.879 N/A GLY 198.A N ASP 315.A OD1 no hydrogen 2.741 N/A TYR 201.A N GLY 233.A O no hydrogen 2.988 N/A TYR 201.A OH GLU 205.A OE2 no hydrogen 2.475 N/A SER 202.A N ILE 253.A O no hydrogen 2.819 N/A SER 202.A OG ARG 235.A O no hydrogen 2.745 N/A GLY 206.A N ASN 204.A OD1 no hydrogen 2.810 N/A TYR 207.A N ASN 204.A O no hydrogen 3.445 N/A ALA 208.A N GLU 205.A O no hydrogen 3.325 N/A GLU 210.A N TYR 207.A O no hydrogen 2.662 N/A ALA 214.A N ASP 212.A OD2 no hydrogen 3.018 N/A ILE 215.A N ASP 212.A OD2 no hydrogen 2.879 N/A THR 216.A N ASP 212.A O no hydrogen 3.157 N/A THR 216.A OG1 ASP 212.A O no hydrogen 3.058 N/A GLU 217.A N PRO 213.A O no hydrogen 2.849 N/A TYR 218.A N ALA 214.A O no hydrogen 2.692 N/A ILE 219.A N ILE 215.A O no hydrogen 2.886 N/A GLN 220.A N THR 216.A O no hydrogen 3.133 N/A ARG 221.A N GLU 217.A O no hydrogen 2.991 N/A ARG 221.A NH1 GLU 318.A OE2 no hydrogen 2.929 N/A ARG 221.A NH2 GLU 217.A OE2 no hydrogen 2.914 N/A LYS 222.A N TYR 218.A O no hydrogen 3.154 N/A LYS 223.A N ILE 219.A O no hydrogen 3.280 N/A LYS 223.A NZ GLU 205.A OE1 no hydrogen 2.729 N/A PHE 224.A N GLN 220.A O no hydrogen 2.796 N/A ASN 228.A N PRO 225.A O no hydrogen 3.144 N/A SER 229.A N ASP 227.A OD1 no hydrogen 3.389 N/A SER 229.A OG ASP 227.A OD1 no hydrogen 2.654 N/A TYR 232.A N LYS 222.A O no hydrogen 2.926 N/A TYR 232.A OH ASP 315.A OD2 no hydrogen 2.473 N/A GLY 233.A N SER 199.A O no hydrogen 2.939 N/A ARG 235.A NH1 ALA 234.A O no hydrogen 2.874 N/A VAL 237.A N ASP 243.A OD1 no hydrogen 2.680 N/A GLY 238.A N ASP 243.A OD2 no hydrogen 3.122 N/A SER 239.A OG SER 123.A O no hydrogen 2.596 N/A VAL 241.A N ASP 113.A OD1 no hydrogen 3.218 N/A ASP 243.A N SER 239.A O no hydrogen 2.892 N/A VAL 244.A N MET 240.A O no hydrogen 2.756 N/A HIS 245.A N VAL 241.A O no hydrogen 3.055 N/A HIS 245.A ND1 TYR 156.A OH no hydrogen 2.728 N/A ARG 246.A N ALA 242.A O no hydrogen 3.142 N/A ARG 246.A NH2 ASP 243.A OD1 no hydrogen 2.552 N/A THR 247.A N ASP 243.A O no hydrogen 3.121 N/A THR 247.A OG1 ASP 243.A O no hydrogen 2.739 N/A LEU 248.A N VAL 244.A O no hydrogen 2.854 N/A VAL 249.A N HIS 245.A O no hydrogen 2.907 N/A TYR 250.A N ARG 246.A O no hydrogen 2.765 N/A GLY 251.A N THR 247.A O no hydrogen 2.607 N/A GLY 252.A N SER 312.A OG no hydrogen 2.597 N/A ILE 253.A N ILE 200.A O no hydrogen 2.864 N/A PHE 254.A N LEU 310.A O no hydrogen 2.872 N/A MET 255.A N SER 202.A O no hydrogen 2.635 N/A TYR 256.A N ILE 308.A O no hydrogen 2.828 N/A ASN 259.A N SER 262.A O no hydrogen 3.142 N/A LYS 260.A N GLU 210.A O no hydrogen 3.274 N/A LYS 261.A NZ GLU 210.A OE1 no hydrogen 3.523 N/A SER 262.A N ASN 259.A O no hydrogen 2.211 N/A GLY 265.A N SER 262.A O no hydrogen 2.946 N/A ARG 268.A N GLU 272.A OE2 no hydrogen 2.797 N/A ARG 268.A NH1 HIS 303.A O no hydrogen 2.213 N/A LEU 269.A N GLN 304.A O no hydrogen 3.082 N/A TYR 271.A OH HIS 303.A ND1 no hydrogen 2.583 N/A GLU 272.A N ARG 268.A O no hydrogen 3.029 N/A CYS 273.A N ARG 268.A O no hydrogen 2.535 N/A CYS 273.A SG ALA 306.A O no hydrogen 3.817 N/A ASN 274.A N LEU 269.A O no hydrogen 2.505 N/A ALA 277.A N CYS 273.A O no hydrogen 3.219 N/A TYR 278.A N ASN 274.A O no hydrogen 2.974 N/A VAL 279.A N PRO 275.A O no hydrogen 2.907 N/A MET 280.A N MET 276.A O no hydrogen 2.808 N/A GLU 281.A N ALA 277.A O no hydrogen 2.918 N/A LYS 282.A N TYR 278.A O no hydrogen 3.051 N/A LYS 282.A NZ VAL 170.A O no hydrogen 3.424 N/A ALA 283.A N MET 280.A O no hydrogen 3.275 N/A GLY 284.A N GLU 281.A O no hydrogen 3.150 N/A GLY 285.A N MET 280.A O no hydrogen 2.665 N/A LEU 286.A N GLY 311.A O no hydrogen 3.168 N/A THR 288.A N ILE 309.A O no hydrogen 2.914 N/A THR 288.A OG1 GLU 292.A O no hydrogen 2.780 N/A THR 289.A N GLU 292.A O no hydrogen 2.691 N/A THR 289.A OG1 GLU 292.A OE1 no hydrogen 3.513 N/A GLY 290.A N THR 288.A OG1 no hydrogen 2.812 N/A LYS 291.A N THR 289.A OG1 no hydrogen 3.157 N/A VAL 294.A N ALA 287.A O no hydrogen 3.122 N/A ASP 296.A N ALA 293.A O no hydrogen 3.059 N/A ILE 297.A N VAL 294.A O no hydrogen 3.108 N/A THR 300.A N GLN 304.A OE1 no hydrogen 3.019 N/A THR 300.A OG1 GLN 304.A OE1 no hydrogen 3.467 N/A HIS 303.A N ASP 301.A OD2 no hydrogen 3.153 N/A HIS 303.A ND1 TYR 271.A OH no hydrogen 2.583 N/A HIS 303.A NE2 ASP 91.A O no hydrogen 2.977 N/A HIS 303.A NE2 LYS 92.A O no hydrogen 3.053 N/A GLN 304.A N ASP 301.A O no hydrogen 2.955 N/A ARG 305.A NH1 LYS 266.A O no hydrogen 2.795 N/A ALA 306.A N LEU 267.A O no hydrogen 3.090 N/A ILE 308.A N TYR 256.A O no hydrogen 3.041 N/A ILE 309.A N THR 288.A O no hydrogen 2.737 N/A LEU 310.A N PHE 254.A O no hydrogen 3.164 N/A GLY 311.A N LEU 286.A O no hydrogen 3.071 N/A SER 312.A N GLY 252.A O no hydrogen 2.728 N/A SER 312.A OG LYS 195.A O no hydrogen 3.125 N/A SER 312.A OG GLY 252.A O no hydrogen 3.046 N/A GLU 314.A N LYS 196.A O no hydrogen 2.843 N/A VAL 316.A N SER 312.A O no hydrogen 2.995 N/A THR 317.A N PRO 313.A O no hydrogen 2.960 N/A THR 317.A OG1 PRO 313.A O no hydrogen 2.932 N/A GLU 318.A N GLU 314.A O no hydrogen 2.942 N/A LEU 320.A N VAL 316.A O no hydrogen 2.892 N/A GLU 321.A N THR 317.A O no hydrogen 2.999 N/A ILE 322.A N GLU 318.A O no hydrogen 3.318 N/A TYR 323.A N LEU 319.A O no hydrogen 3.035 N/A TYR 323.A OH ASP 212.A OD1 no hydrogen 3.128 N/A GLN 324.A N LEU 320.A O no hydrogen 3.053 N/A GLN 324.A NE2 LEU 320.A O no hydrogen 3.520 N/A LYS 325.A N GLU 321.A O no hydrogen 3.138 N/A LYS 325.A NZ GLU 217.A OE1 no hydrogen 2.784 N/A LYS 325.A NZ GLU 217.A OE2 no hydrogen 2.892 N/A HIS 326.A N TYR 323.A O no hydrogen 2.898 N/A HIS 326.A NE2 GLU 217.A OE1 no hydrogen 3.063 N/A ALA 327.A N GLN 324.A O no hydrogen 2.872 N/A