Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6kws_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N GLN 27.A O no hydrogen 2.734 N/A ILE 5.A N VAL 77.A O no hydrogen 3.020 N/A VAL 6.A N ILE 29.A O no hydrogen 2.883 N/A SER 7.A N LEU 79.A O no hydrogen 3.101 N/A SER 7.A OG HIS 80.A ND1 no hydrogen 2.947 N/A GLY 8.A N THR 31.A OG1 no hydrogen 3.182 N/A ALA 9.A N THR 31.A O no hydrogen 2.970 N/A GLY 11.A N GLY 8.A O no hydrogen 2.996 N/A GLN 15.A N GLY 11.A O no hydrogen 2.967 N/A GLN 15.A NE2 THR 10.A O no hydrogen 3.011 N/A GLN 15.A NE2 GLU 203.A OE2 no hydrogen 3.463 N/A HIS 16.A NE2 PRO 197.A O no hydrogen 2.878 N/A VAL 17.A N ILE 13.A O no hydrogen 3.026 N/A VAL 18.A N ALA 14.A O no hydrogen 2.762 N/A LYS 19.A N GLN 15.A O no hydrogen 2.937 N/A LYS 19.A NZ SER 199.A O no hydrogen 3.134 N/A GLN 20.A N HIS 16.A O no hydrogen 2.943 N/A GLN 20.A NE2 ARG 238.A O no hydrogen 3.199 N/A LEU 21.A N VAL 17.A O no hydrogen 2.678 N/A LEU 22.A N VAL 18.A O no hydrogen 2.794 N/A ALA 23.A N LYS 19.A O no hydrogen 3.172 N/A LYS 24.A N LEU 21.A O no hydrogen 3.054 N/A LYS 24.A NZ GLU 249.A OE1 no hydrogen 3.521 N/A ASN 25.A N LEU 22.A O no hydrogen 3.007 N/A TYR 26.A N LEU 21.A O no hydrogen 3.404 N/A TYR 26.A OH GLU 249.A OE2 no hydrogen 2.247 N/A GLN 27.A N ILE 2.A O no hydrogen 3.077 N/A VAL 28.A N ASN 50.A O no hydrogen 2.848 N/A ILE 29.A N VAL 4.A O no hydrogen 2.849 N/A GLY 30.A N SER 52.A O no hydrogen 2.876 N/A THR 31.A N VAL 6.A O no hydrogen 2.720 N/A VAL 32.A N GLU 54.A O no hydrogen 3.055 N/A ARG 33.A NH2 THR 10.A OG1 no hydrogen 2.224 N/A LYS 37.A N SER 34.A OG no hydrogen 3.364 N/A GLY 38.A N SER 34.A O no hydrogen 3.088 N/A ASP 39.A N THR 35.A O no hydrogen 2.702 N/A HIS 40.A N ALA 36.A O no hydrogen 2.878 N/A HIS 40.A NE2 GLU 203.A OE1 no hydrogen 2.975 N/A LEU 41.A N LYS 37.A O no hydrogen 3.039 N/A LEU 42.A N GLY 38.A O no hydrogen 2.979 N/A LYS 43.A N ASP 39.A O no hydrogen 3.031 N/A LEU 44.A N HIS 40.A O no hydrogen 3.016 N/A PHE 45.A N LEU 41.A O no hydrogen 3.421 N/A ASN 46.A N LYS 43.A O no hydrogen 2.843 N/A ASN 47.A N LEU 42.A O no hydrogen 2.655 N/A SER 52.A N VAL 28.A O no hydrogen 3.118 N/A TYR 53.A OH ASP 39.A OD1 no hydrogen 2.941 N/A GLU 54.A N GLY 30.A O no hydrogen 2.877 N/A VAL 56.A N VAL 32.A O no hydrogen 2.861 N/A GLY 60.A N ASP 58.A OD1 no hydrogen 3.016 N/A THR 61.A OG1 ASP 58.A O no hydrogen 3.008 N/A ALA 64.A N THR 61.A O no hydrogen 3.226 N/A ASP 66.A N GLY 63.A O no hydrogen 3.173 N/A LEU 69.A N PHE 65.A O no hydrogen 3.075 N/A GLN 70.A N ASP 66.A O no hydrogen 2.743 N/A LYS 71.A N LYS 67.A O no hydrogen 2.987 N/A HIS 72.A N VAL 68.A O no hydrogen 3.221 N/A HIS 72.A ND1 GLU 74.A OE1 no hydrogen 3.286 N/A HIS 72.A NE2 GLU 54.A OE1 no hydrogen 2.874 N/A GLU 74.A N GLU 74.A OE2 no hydrogen 2.551 N/A ALA 75.A N HIS 72.A O no hydrogen 3.120 N/A LYS 76.A N THR 3.A O no hydrogen 3.176 N/A PHE 78.A N LYS 117.A O no hydrogen 2.975 N/A LEU 79.A N ILE 5.A O no hydrogen 2.758 N/A HIS 80.A N VAL 119.A O no hydrogen 2.638 N/A HIS 80.A ND1 SER 7.A OG no hydrogen 2.947 N/A LEU 81.A N SER 7.A OG no hydrogen 3.013 N/A ALA 82.A N SER 7.A OG no hydrogen 3.238 N/A THR 87.A N GLU 92.A OE1 no hydrogen 2.703 N/A GLU 90.A N ASP 88.A OD2 no hydrogen 2.572 N/A GLU 92.A N ASP 88.A O no hydrogen 3.083 N/A LEU 93.A N VAL 89.A O no hydrogen 3.048 N/A LEU 94.A N VAL 89.A O no hydrogen 3.184 N/A LEU 95.A N GLU 90.A O no hydrogen 3.141 N/A ALA 97.A N LEU 93.A O no hydrogen 3.183 N/A VAL 98.A N LEU 94.A O no hydrogen 2.945 N/A ASP 99.A N LEU 95.A O no hydrogen 2.606 N/A GLY 100.A N PRO 96.A O no hydrogen 2.751 N/A THR 101.A N ALA 97.A O no hydrogen 3.130 N/A THR 101.A OG1 ALA 97.A O no hydrogen 2.530 N/A LYS 102.A N VAL 98.A O no hydrogen 3.145 N/A ASN 103.A N ASP 99.A O no hydrogen 2.883 N/A ASN 103.A ND2 GLY 60.A O no hydrogen 2.657 N/A VAL 104.A N GLY 100.A O no hydrogen 3.008 N/A LEU 105.A N THR 101.A O no hydrogen 3.160 N/A GLN 106.A N LYS 102.A O no hydrogen 2.766 N/A GLN 106.A NE2 ASN 110.A OD1 no hydrogen 3.405 N/A ALA 107.A N ASN 103.A O no hydrogen 3.002 N/A ILE 108.A N VAL 104.A O no hydrogen 3.124 N/A TYR 109.A N LEU 105.A O no hydrogen 2.754 N/A TYR 109.A OH ASP 180.A O no hydrogen 2.215 N/A ASN 110.A N GLN 106.A O no hydrogen 2.866 N/A PHE 111.A N ALA 107.A O no hydrogen 2.895 N/A GLY 112.A N ILE 108.A O no hydrogen 2.838 N/A ILE 115.A N GLY 112.A O no hydrogen 3.060 N/A GLU 116.A N LYS 76.A O no hydrogen 2.784 N/A LYS 117.A N LYS 76.A O no hydrogen 3.277 N/A LYS 117.A NZ PHE 248.A O no hydrogen 3.258 N/A VAL 118.A N SER 185.A O no hydrogen 3.143 N/A VAL 119.A N PHE 78.A O no hydrogen 2.985 N/A ILE 120.A N SER 187.A O no hydrogen 3.053 N/A THR 121.A N HIS 80.A O no hydrogen 3.163 N/A THR 121.A OG1 HIS 80.A O no hydrogen 3.378 N/A THR 121.A OG1 HIS 244.A NE2 no hydrogen 2.856 N/A SER 122.A N ILE 189.A O no hydrogen 2.718 N/A SER 122.A OG GLU 169.A OE2 no hydrogen 2.813 N/A SER 122.A OG ASN 190.A OD1 no hydrogen 3.304 N/A TYR 124.A N PRO 191.A O no hydrogen 2.853 N/A TYR 124.A OH GLU 133.A OE2 no hydrogen 2.383 N/A ALA 125.A N SER 123.A OG no hydrogen 2.757 N/A ALA 126.A N SER 123.A O no hydrogen 2.828 N/A ILE 127.A N TYR 124.A O no hydrogen 2.755 N/A SER 128.A N TYR 124.A O no hydrogen 3.103 N/A THR 129.A OG1 TRP 145.A O no hydrogen 3.173 N/A LYS 132.A NZ ILE 139.A O no hydrogen 3.312 N/A LYS 132.A NZ ASP 144.A OD2 no hydrogen 3.110 N/A GLU 133.A N THR 129.A O no hydrogen 2.937 N/A ALA 134.A N ALA 130.A O no hydrogen 3.215 N/A ASP 135.A N LYS 132.A O no hydrogen 2.944 N/A LYS 136.A NZ ASN 137.A OD1 no hydrogen 2.803 N/A ASN 137.A N ASP 135.A OD1 no hydrogen 2.985 N/A ALA 138.A N ASP 135.A O no hydrogen 2.892 N/A ILE 140.A N THR 303.A O no hydrogen 2.869 N/A THR 141.A N ASP 144.A OD1 no hydrogen 3.092 N/A THR 141.A OG1 ASP 144.A OD1 no hydrogen 3.329 N/A GLU 142.A N GLU 142.A OE2 no hydrogen 2.736 N/A LYS 143.A N THR 141.A OG1 no hydrogen 3.295 N/A ASP 144.A N THR 141.A O no hydrogen 3.084 N/A ASN 146.A N ALA 126.A O no hydrogen 2.880 N/A ASN 146.A ND2 ALA 125.A O no hydrogen 2.932 N/A GLU 147.A N THR 129.A OG1 no hydrogen 2.858 N/A ILE 148.A N ASN 146.A OD1 no hydrogen 3.075 N/A TRP 150.A NE1 GLU 90.A OE2 no hydrogen 3.173 N/A ASP 152.A N SER 149.A OG no hydrogen 2.817 N/A ALA 153.A N SER 149.A O no hydrogen 2.887 N/A ALA 153.A N TRP 150.A O no hydrogen 3.195 N/A LEU 154.A N GLN 151.A O no hydrogen 3.236 N/A LEU 155.A N ASP 152.A O no hydrogen 3.237 N/A ASN 159.A N ASN 156.A OD1 no hydrogen 2.711 N/A ASN 159.A ND2 ASP 152.A O no hydrogen 3.262 N/A GLY 160.A N ASN 156.A O no hydrogen 2.791 N/A TYR 161.A N PRO 157.A O no hydrogen 3.017 N/A ARG 162.A N VAL 158.A O no hydrogen 3.026 N/A ARG 162.A NH1 SER 128.A O no hydrogen 3.071 N/A ARG 162.A NH2 SER 128.A O no hydrogen 3.326 N/A ARG 162.A NH2 SER 128.A OG no hydrogen 2.870 N/A GLY 163.A N ASN 159.A O no hydrogen 2.757 N/A SER 164.A N GLY 160.A O no hydrogen 2.875 N/A SER 164.A OG GLY 160.A O no hydrogen 3.138 N/A SER 164.A OG TYR 161.A O no hydrogen 2.585 N/A LYS 165.A N TYR 161.A O no hydrogen 3.131 N/A LYS 166.A N ARG 162.A O no hydrogen 3.064 N/A LYS 166.A NZ ASN 146.A O no hydrogen 2.704 N/A LYS 166.A NZ ILE 148.A O no hydrogen 2.936 N/A PHE 167.A N GLY 163.A O no hydrogen 2.785 N/A ALA 168.A N SER 164.A O no hydrogen 2.898 N/A GLU 169.A N LYS 165.A O no hydrogen 3.074 N/A LYS 170.A N LYS 166.A O no hydrogen 2.811 N/A ALA 171.A N PHE 167.A O no hydrogen 2.886 N/A ALA 172.A N ALA 168.A O no hydrogen 3.262 N/A TRP 173.A N GLU 169.A O no hydrogen 3.205 N/A TRP 173.A NE1 GLU 169.A OE1 no hydrogen 2.858 N/A ASP 174.A N LYS 170.A O no hydrogen 2.978 N/A PHE 175.A N ALA 171.A O no hydrogen 2.945 N/A ILE 176.A N ALA 172.A O no hydrogen 3.249 N/A LYS 177.A N TRP 173.A O no hydrogen 2.943 N/A SER 178.A N ASP 174.A O no hydrogen 2.759 N/A ASN 179.A N PHE 175.A O no hydrogen 2.930 N/A ASP 180.A N ASP 180.A OD1 no hydrogen 2.355 N/A LYS 183.A NZ ASN 113.A O no hydrogen 3.485 N/A SER 185.A N GLU 116.A O no hydrogen 3.062 N/A SER 185.A OG GLU 116.A O no hydrogen 3.325 N/A SER 187.A N VAL 118.A O no hydrogen 2.849 N/A SER 187.A OG ALA 253.A O no hydrogen 2.464 N/A THR 188.A N GLN 256.A O no hydrogen 3.023 N/A ILE 189.A N ILE 120.A O no hydrogen 3.065 N/A ASN 190.A N ILE 258.A O no hydrogen 2.778 N/A ASN 190.A ND2 ILE 258.A O no hydrogen 3.274 N/A SER 192.A N LEU 260.A O no hydrogen 3.042 N/A SER 192.A OG LEU 260.A O no hydrogen 3.233 N/A SER 192.A OG ASN 261.A OD1 no hydrogen 2.535 N/A PHE 193.A N GLY 233.A O no hydrogen 3.063 N/A PHE 195.A N VAL 235.A O no hydrogen 3.015 N/A GLN 198.A N GLN 330.A OE1 no hydrogen 2.830 N/A GLU 203.A N PHE 200.A O no hydrogen 3.253 N/A ILE 204.A N GLY 201.A O no hydrogen 3.355 N/A SER 207.A OG GLU 213.A OE1 no hydrogen 3.460 N/A LEU 208.A N GLU 213.A OE1 no hydrogen 3.096 N/A SER 212.A N THR 210.A OG1 no hydrogen 2.888 N/A SER 212.A OG GLY 196.A O no hydrogen 3.118 N/A GLU 213.A N THR 210.A O no hydrogen 3.455 N/A ILE 214.A N SER 211.A O no hydrogen 3.241 N/A ASN 216.A N SER 212.A O no hydrogen 2.824 N/A ASN 216.A ND2 GLN 206.A O no hydrogen 3.114 N/A ASN 216.A ND2 GLU 213.A OE1 no hydrogen 3.150 N/A SER 217.A N GLU 213.A O no hydrogen 2.576 N/A SER 217.A OG ILE 214.A O no hydrogen 2.895 N/A LYS 220.A N SER 217.A O no hydrogen 3.311 N/A LYS 220.A NZ GLU 213.A OE2 no hydrogen 3.186 N/A LEU 221.A N ILE 218.A O no hydrogen 3.110 N/A LYS 222.A N ASP 225.A OD1 no hydrogen 2.774 N/A ASP 225.A N LYS 222.A O no hydrogen 2.845 N/A SER 230.A OG ALA 229.A O no hydrogen 2.793 N/A GLY 232.A N PHE 265.A O no hydrogen 3.093 N/A TRP 234.A N GLY 263.A O no hydrogen 2.978 N/A VAL 235.A N PHE 193.A O no hydrogen 2.960 N/A VAL 237.A N PHE 195.A O no hydrogen 2.690 N/A ARG 238.A N ASP 236.A OD1 no hydrogen 2.790 N/A ARG 238.A NE ASP 236.A OD1 no hydrogen 2.815 N/A ARG 238.A NH1 ASP 326.A OD2 no hydrogen 3.065 N/A ARG 238.A NH2 ASP 236.A OD1 no hydrogen 3.528 N/A ARG 238.A NH2 ASP 236.A OD2 no hydrogen 2.927 N/A ARG 238.A NH2 ASP 326.A OD2 no hydrogen 2.880 N/A VAL 240.A N ASP 236.A O no hydrogen 3.164 N/A ALA 241.A N VAL 237.A O no hydrogen 2.850 N/A LYS 242.A N ARG 238.A O no hydrogen 2.931 N/A ALA 243.A N ASP 239.A O no hydrogen 2.898 N/A HIS 244.A N VAL 240.A O no hydrogen 3.056 N/A HIS 244.A ND1 VAL 240.A O no hydrogen 3.024 N/A HIS 244.A NE2 THR 121.A OG1 no hydrogen 2.856 N/A ILE 245.A N LYS 242.A O no hydrogen 2.916 N/A ILE 246.A N LYS 242.A O no hydrogen 2.918 N/A ALA 247.A N ALA 243.A O no hydrogen 2.791 N/A PHE 248.A N ILE 245.A O no hydrogen 3.277 N/A GLU 249.A N ILE 245.A O no hydrogen 3.171 N/A ASN 250.A N ILE 246.A O no hydrogen 3.012 N/A ASN 250.A ND2 LEU 312.A O no hydrogen 3.096 N/A ASP 252.A N ASN 250.A OD1 no hydrogen 2.814 N/A ALA 253.A N ASN 250.A O no hydrogen 3.354 N/A LYS 254.A N GLU 251.A O no hydrogen 3.202 N/A GLN 256.A N ALA 253.A O no hydrogen 3.189 N/A GLN 256.A NE2 LYS 254.A O no hydrogen 3.372 N/A ARG 257.A NE GLU 169.A OE1 no hydrogen 2.718 N/A ARG 257.A NH1 GLU 142.A O no hydrogen 2.778 N/A ARG 257.A NH1 ASP 144.A O no hydrogen 2.988 N/A ARG 257.A NH2 ALA 126.A O no hydrogen 3.273 N/A ARG 257.A NH2 GLU 169.A OE2 no hydrogen 3.069 N/A ILE 258.A N THR 188.A O no hydrogen 2.737 N/A LEU 259.A N SER 309.A OG no hydrogen 2.786 N/A LEU 260.A N ASN 190.A O no hydrogen 2.978 N/A ASN 261.A ND2 GLY 263.A O no hydrogen 3.335 N/A SER 262.A N TRP 234.A O no hydrogen 2.847 N/A SER 262.A OG TYR 318.A O no hydrogen 2.994 N/A ARG 264.A NH1 GLU 133.A OE1 no hydrogen 2.729 N/A ARG 264.A NH2 GLU 133.A OE1 no hydrogen 3.458 N/A ARG 264.A NH2 GLU 133.A OE2 no hydrogen 2.965 N/A ARG 264.A NH2 ALA 302.A O no hydrogen 2.831 N/A PHE 265.A N GLY 232.A O no hydrogen 2.915 N/A THR 266.A N SER 269.A OG no hydrogen 3.090 N/A SER 267.A N SER 230.A O no hydrogen 2.964 N/A SER 267.A OG PRO 228.A O no hydrogen 3.227 N/A GLN 268.A N THR 266.A OG1 no hydrogen 3.110 N/A GLN 268.A NE2 GLN 268.A O no hydrogen 3.505 N/A GLN 268.A NE2 ASP 272.A OD1 no hydrogen 2.746 N/A GLN 268.A NE2 VAL 287.A O no hydrogen 3.082 N/A SER 269.A OG ASP 293.A OD1 no hydrogen 2.839 N/A LEU 270.A N THR 266.A O no hydrogen 3.414 N/A VAL 271.A N SER 267.A O no hydrogen 2.971 N/A ASP 272.A N GLN 268.A O no hydrogen 2.935 N/A ILE 273.A N SER 269.A O no hydrogen 3.167 N/A ILE 274.A N LEU 270.A O no hydrogen 2.961 N/A ASN 275.A N VAL 271.A O no hydrogen 2.791 N/A ASN 275.A ND2 VAL 271.A O no hydrogen 3.587 N/A ASN 275.A ND2 PRO 286.A O no hydrogen 2.727 N/A ASP 276.A N ASP 272.A O no hydrogen 3.042 N/A LYS 277.A N ILE 274.A O no hydrogen 3.181 N/A PHE 278.A N ILE 274.A O no hydrogen 3.015 N/A LEU 281.A N PHE 278.A O no hydrogen 2.830 N/A LYS 282.A N PHE 278.A O no hydrogen 2.995 N/A LYS 282.A N PRO 279.A O no hydrogen 3.254 N/A LYS 284.A N LEU 281.A O no hydrogen 2.845 N/A GLU 289.A N GLN 268.A OE1 no hydrogen 3.198 N/A GLY 291.A N ASP 272.A OD2 no hydrogen 3.074 N/A SER 292.A N GLU 289.A O no hydrogen 3.107 N/A SER 292.A OG GLU 289.A O no hydrogen 3.365 N/A LYS 294.A N GLY 291.A O no hydrogen 3.257 N/A LYS 294.A NZ ASP 293.A OD1 no hydrogen 3.119 N/A VAL 296.A N SER 292.A O no hydrogen 3.290 N/A ILE 297.A N ASP 293.A O no hydrogen 2.800 N/A ALA 298.A N LYS 294.A O no hydrogen 2.989 N/A GLU 299.A N SER 295.A O no hydrogen 2.844 N/A SER 300.A OG VAL 296.A O no hydrogen 2.803 N/A ALA 302.A N GLU 133.A O no hydrogen 2.819 N/A THR 303.A N ALA 138.A O no hydrogen 2.989 N/A ASP 305.A N ILE 140.A O no hydrogen 2.675 N/A THR 307.A N ASP 305.A OD1 no hydrogen 3.334 N/A THR 307.A OG1 ASP 305.A OD1 no hydrogen 2.354 N/A LYS 308.A NZ GLN 256.A OE1 no hydrogen 3.006 N/A SER 309.A N GLU 142.A OE1 no hydrogen 2.989 N/A SER 309.A OG GLU 142.A OE1 no hydrogen 2.569 N/A ARG 310.A N ASP 306.A O no hydrogen 2.790 N/A ARG 310.A NE ASP 306.A OD1 no hydrogen 3.240 N/A ARG 310.A NH2 ASP 306.A OD1 no hydrogen 3.545 N/A GLU 311.A N THR 307.A O no hydrogen 2.807 N/A LEU 312.A N LYS 308.A O no hydrogen 2.837 N/A LEU 313.A N SER 309.A O no hydrogen 3.063 N/A GLY 314.A N ARG 310.A O no hydrogen 2.896 N/A TYR 318.A N ASP 239.A OD2 no hydrogen 2.894 N/A ASN 319.A N GLN 322.A OE1 no hydrogen 3.041 N/A GLN 322.A N ASN 319.A OD1 no hydrogen 2.886 N/A SER 323.A N ASN 319.A O no hydrogen 2.953 N/A SER 323.A OG ASP 236.A OD2 no hydrogen 2.658 N/A VAL 324.A N LEU 320.A O no hydrogen 2.729 N/A TYR 325.A N GLU 321.A O no hydrogen 2.853 N/A ASP 326.A N GLN 322.A O no hydrogen 2.779 N/A THR 327.A N SER 323.A O no hydrogen 3.104 N/A THR 327.A OG1 SER 323.A O no hydrogen 2.607 N/A VAL 328.A N VAL 324.A O no hydrogen 2.889 N/A GLU 329.A N TYR 325.A O no hydrogen 2.803 N/A GLN 330.A N ASP 326.A O no hydrogen 3.327 N/A GLN 330.A NE2 GLN 198.A O no hydrogen 2.607 N/A ILE 331.A N THR 327.A O no hydrogen 3.067 N/A VAL 332.A N VAL 328.A O no hydrogen 2.778 N/A ASN 333.A N GLU 329.A O no hydrogen 2.952 N/A ALA 334.A N GLN 330.A O no hydrogen 2.954 N/A HIS 335.A N ILE 331.A O no hydrogen 3.164 N/A LYS 336.A N ASN 333.A O no hydrogen 3.063 N/A