Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4w9r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N ILE 20.A O no hydrogen 3.021 N/A GLU 5.A N ILE 18.A O no hydrogen 2.849 N/A PHE 7.A N GLN 16.A O no hydrogen 2.772 N/A SER 9.A N ARG 14.A O no hydrogen 3.089 N/A SER 9.A OG GLU 96.A OE1 no hydrogen 2.728 N/A ARG 11.A N GLU 96.A OE2 no hydrogen 3.310 N/A ARG 11.A NE GLU 91.A OE1 no hydrogen 3.411 N/A ARG 11.A NH1 GLU 96.A OE2 no hydrogen 3.270 N/A LEU 12.A N SER 9.A OG no hydrogen 3.128 N/A GLN 16.A N PHE 7.A O no hydrogen 2.816 N/A GLN 16.A NE2 LYS 17.A O no hydrogen 3.193 N/A GLN 16.A NE2 TYR 66.A O no hydrogen 3.087 N/A ILE 18.A N GLU 5.A O no hydrogen 2.983 N/A GLY 19.A N GLY 64.A O no hydrogen 3.003 N/A ILE 20.A N ILE 3.A O no hydrogen 2.916 N/A TYR 21.A N VAL 62.A O no hydrogen 2.759 N/A TYR 26.A OH ASP 28.A OD1 no hydrogen 2.699 N/A THR 27.A N TYR 32.A OH no hydrogen 2.935 N/A ARG 29.A N THR 27.A OG1 no hydrogen 3.115 N/A TYR 32.A N PRO 106.A O no hydrogen 2.915 N/A TYR 32.A OH THR 27.A O no hydrogen 2.635 N/A LEU 34.A N LEU 110.A O no hydrogen 3.135 N/A ILE 35.A N ILE 61.A O no hydrogen 3.042 N/A VAL 36.A N GLY 112.A O no hydrogen 2.706 N/A VAL 37.A N VAL 63.A O no hydrogen 2.784 N/A LEU 38.A N ILE 114.A O no hydrogen 3.015 N/A ASN 39.A ND2 SER 116.A O no hydrogen 3.421 N/A GLU 41.A N GLU 41.A OE1 no hydrogen 2.869 N/A THR 42.A N ASN 39.A O no hydrogen 2.889 N/A THR 42.A OG1 ASN 39.A O no hydrogen 3.098 N/A VAL 46.A N LEU 43.A O no hydrogen 3.141 N/A SER 48.A N GLU 44.A O no hydrogen 2.919 N/A SER 48.A OG GLU 44.A O no hydrogen 3.065 N/A SER 48.A OG PRO 45.A O no hydrogen 2.819 N/A ARG 50.A N VAL 47.A O no hydrogen 3.117 N/A ARG 50.A NH1 GLU 24.A OE1.A no hydrogen 3.317 N/A TYR 51.A N SER 48.A O no hydrogen 2.954 N/A TYR 52.A OH ALA 215.A O no hydrogen 2.759 N/A GLU 53.A N VAL 49.A O no hydrogen 3.043 N/A GLN 54.A N ARG 50.A O no hydrogen 3.001 N/A PHE 55.A N TYR 51.A O no hydrogen 3.396 N/A GLY 56.A N GLU 53.A O no hydrogen 3.027 N/A GLU 57.A N TYR 52.A O no hydrogen 2.865 N/A LYS 59.A NZ GLU 24.A O.A no hydrogen 3.559 N/A LYS 59.A NZ LYS 25.A O.A no hydrogen 2.869 N/A LYS 59.A NZ LYS 25.A O.B no hydrogen 2.850 N/A CYS 60.A SG PRO 58.A O no hydrogen 3.418 N/A ILE 61.A N PRO 33.A O no hydrogen 3.079 N/A VAL 62.A N TYR 21.A O no hydrogen 3.346 N/A VAL 63.A N ILE 35.A O no hydrogen 2.931 N/A GLY 64.A N GLY 19.A O no hydrogen 3.041 N/A VAL 65.A N VAL 37.A O no hydrogen 2.913 N/A TYR 66.A N LYS 17.A O no hydrogen 2.972 N/A GLU 67.A N GLU 41.A OE1 no hydrogen 2.669 N/A LYS 69.A N ASP 72.A OD2 no hydrogen 3.185 N/A GLU 71.A N GLU 71.A OE1 no hydrogen 2.639 N/A ASP 72.A N LYS 69.A O no hydrogen 3.085 N/A THR 74.A OG1 GLN 70.A O no hydrogen 2.530 N/A GLY 80.A N VAL 76.A O no hydrogen 3.150 N/A ARG 81.A NH2 GLU 149.A OE2 no hydrogen 3.306 N/A ILE 83.A N SER 86.A OG no hydrogen 2.600 N/A GLU 85.A N GLU 85.A OE1 no hydrogen 2.865 N/A SER 86.A N ILE 83.A O no hydrogen 3.201 N/A SER 86.A OG ILE 83.A O no hydrogen 2.665 N/A ARG 88.A N ASN 84.A O no hydrogen 2.755 N/A PHE 89.A N GLU 85.A O no hydrogen 3.207 N/A PHE 90.A N SER 86.A O no hydrogen 3.174 N/A GLU 91.A N ALA 87.A O no hydrogen 3.027 N/A PHE 92.A N PHE 89.A O no hydrogen 3.046 N/A VAL 93.A N PHE 89.A O no hydrogen 3.397 N/A SER 94.A OG THR 133.A OG1 no hydrogen 3.152 N/A ALA 95.A N GLU 91.A O no hydrogen 2.830 N/A GLU 96.A N PHE 92.A O no hydrogen 3.089 N/A LEU 97.A N PHE 92.A O no hydrogen 2.990 N/A VAL 98.A N VAL 93.A O no hydrogen 2.996 N/A TYR 100.A N GLU 96.A O no hydrogen 2.951 N/A TYR 100.A OH GLU 5.A OE2 no hydrogen 2.700 N/A ILE 101.A N LEU 97.A O no hydrogen 3.077 N/A GLN 102.A N VAL 98.A O no hydrogen 2.966 N/A GLY 103.A N PRO 99.A O no hydrogen 3.048 N/A GLY 103.A N TYR 100.A O no hydrogen 3.284 N/A LYS 104.A N TYR 100.A O no hydrogen 3.292 N/A LYS 104.A N ILE 101.A O no hydrogen 3.071 N/A TYR 105.A N ILE 101.A O no hydrogen 2.924 N/A ALA 108.A N TYR 32.A O no hydrogen 2.619 N/A LYS 111.A N ASN 135.A OD1 no hydrogen 3.365 N/A LYS 111.A NZ ASP 109.A O no hydrogen 3.505 N/A LYS 111.A NZ THR 133.A O no hydrogen 2.813 N/A GLY 112.A N LEU 34.A O no hydrogen 2.819 N/A ILE 114.A N VAL 36.A O no hydrogen 2.643 N/A ALA 115.A N VAL 137.A O no hydrogen 3.300 N/A SER 116.A N ASN 39.A OD1 no hydrogen 2.425 N/A SER 116.A OG GLU 117.A OE2 no hydrogen 2.703 N/A GLU 117.A N LEU 139.A O no hydrogen 3.247 N/A GLU 118.A N GLU 118.A OE1 no hydrogen 2.805 N/A GLY 120.A N SER 116.A O no hydrogen 3.060 N/A PHE 121.A N GLU 117.A O no hydrogen 3.305 N/A PHE 121.A N GLU 118.A O no hydrogen 3.110 N/A LEU 122.A N GLU 118.A O no hydrogen 2.974 N/A ALA 123.A N ALA 119.A O no hydrogen 2.936 N/A ASN 124.A N PHE 121.A O no hydrogen 3.139 N/A TYR 125.A N LEU 122.A O no hydrogen 3.096 N/A TYR 125.A OH GLY 80.A O no hydrogen 2.565 N/A TYR 126.A N ALA 123.A O no hydrogen 3.390 N/A TYR 126.A OH PHE 90.A O no hydrogen 2.700 N/A THR 133.A OG1 SER 94.A OG no hydrogen 3.152 N/A ASN 135.A N LYS 111.A O no hydrogen 2.621 N/A VAL 137.A N VAL 113.A O no hydrogen 3.082 N/A SER 138.A N TYR 165.A O no hydrogen 2.618 N/A SER 138.A OG GLY 120.A O no hydrogen 2.784 N/A LEU 139.A N ALA 115.A O no hydrogen 3.028 N/A ASN 140.A N ALA 166.A O no hydrogen 2.806 N/A ASN 140.A ND2 GLU 117.A OE1 no hydrogen 2.936 N/A VAL 142.A N GLU 117.A O no hydrogen 3.116 N/A ARG 146.A NE GLU 77.A OE2 no hydrogen 3.392 N/A ARG 146.A NH1 GLU 77.A O no hydrogen 2.567 N/A ARG 146.A NH1 VAL 79.A O no hydrogen 3.228 N/A SER 151.A N GLY 147.A O no hydrogen 3.116 N/A SER 151.A OG SER 187.A OG no hydrogen 3.231 N/A HIS 152.A N GLU 148.A O no hydrogen 3.145 N/A LEU 154.A N PHE 150.A O no hydrogen 3.043 N/A ALA 155.A N SER 151.A O no hydrogen 3.180 N/A ALA 156.A N HIS 152.A O no hydrogen 2.841 N/A GLY 157.A N ALA 153.A O no hydrogen 3.084 N/A VAL 158.A N SER 193.A OG no hydrogen 2.875 N/A ASN 160.A ND2 LYS 255.A O no hydrogen 3.094 N/A ARG 161.A NH2 CYS 220.A O no hydrogen 3.264 N/A LEU 162.A N SER 193.A O no hydrogen 2.938 N/A PHE 163.A N ASN 135.A O no hydrogen 2.833 N/A TYR 164.A N GLU 195.A O no hydrogen 2.951 N/A TYR 164.A OH ASN 124.A OD1 no hydrogen 2.626 N/A TYR 165.A N ILE 136.A O no hydrogen 2.822 N/A TYR 165.A OH GLN 216.A OE1 no hydrogen 2.881 N/A THR 167.A N VAL 199.A O no hydrogen 3.390 N/A VAL 170.A N SER 204.A O no hydrogen 3.414 N/A ASN 172.A N ASP 169.A O no hydrogen 3.343 N/A ASN 172.A ND2 ASN 140.A OD1 no hydrogen 2.640 N/A ASN 172.A ND2 ALA 168.A O no hydrogen 2.964 N/A LYS 173.A NZ ASP 177.A OD2 no hydrogen 2.800 N/A TYR 176.A N ASN 172.A O no hydrogen 2.808 N/A TYR 176.A OH ASP 200.A OD1 no hydrogen 3.211 N/A TYR 176.A OH ASP 200.A OD2 no hydrogen 2.941 N/A ASP 177.A N LYS 173.A O no hydrogen 3.357 N/A ALA 179.A N VAL 175.A O no hydrogen 3.011 N/A ILE 180.A N TYR 176.A O no hydrogen 2.990 N/A GLN 181.A N ASP 177.A O no hydrogen 3.054 N/A PHE 182.A N LYS 178.A O no hydrogen 2.970 N/A GLU 183.A N ALA 179.A O no hydrogen 2.985 N/A ARG 184.A N ILE 180.A O no hydrogen 3.047 N/A ALA 185.A N GLN 181.A O no hydrogen 3.265 N/A SER 187.A OG SER 151.A OG no hydrogen 3.231 N/A SER 187.A OG ALA 185.A O no hydrogen 2.878 N/A ALA 188.A N SER 151.A OG no hydrogen 3.243 N/A HIS 191.A N LEU 154.A O no hydrogen 3.070 N/A HIS 191.A ND1 SER 193.A OG no hydrogen 2.593 N/A SER 193.A N HIS 191.A ND1 no hydrogen 3.291 N/A SER 193.A OG VAL 158.A O no hydrogen 3.169 N/A SER 193.A OG HIS 191.A ND1 no hydrogen 2.593 N/A VAL 194.A N HIS 191.A O no hydrogen 3.120 N/A GLU 195.A N LEU 162.A O no hydrogen 2.782 N/A TYR 196.A OH GLU 183.A OE1 no hydrogen 3.007 N/A HIS 197.A N TYR 164.A O no hydrogen 2.856 N/A HIS 197.A NE2 GLU 195.A OE2 no hydrogen 3.006 N/A PHE 201.A N THR 167.A O no hydrogen 2.835 N/A GLY 203.A N ASP 169.A OD1 no hydrogen 2.852 N/A SER 204.A OG SER 205.A O no hydrogen 3.151 N/A ALA 209.A N SER 205.A O no hydrogen 3.087 N/A LYS 210.A N VAL 206.A O no hydrogen 3.012 N/A LYS 210.A NZ GLU 117.A OE1 no hydrogen 3.253 N/A LYS 210.A NZ GLU 117.A OE2 no hydrogen 3.255 N/A LEU 211.A N ASN 207.A O no hydrogen 3.440 N/A GLN 212.A N ALA 208.A O no hydrogen 3.323 N/A GLN 212.A NE2 ALA 208.A O no hydrogen 3.268 N/A GLY 213.A N ALA 209.A O no hydrogen 2.775 N/A ILE 214.A N LYS 210.A O no hydrogen 3.077 N/A ALA 215.A N LEU 211.A O no hydrogen 3.204 N/A GLN 216.A N GLN 212.A O no hydrogen 2.995 N/A ALA 217.A N GLY 213.A O no hydrogen 2.854 N/A LEU 218.A N ILE 214.A O no hydrogen 3.011 N/A ASP 219.A N ALA 215.A O no hydrogen 3.149 N/A PHE 221.A N LEU 218.A O no hydrogen 3.267 N/A TYR 224.A N PHE 221.A O no hydrogen 2.836 N/A LYS 225.A N ASP 222.A O no hydrogen 3.078 N/A LYS 225.A NZ ASP 219.A OD1 no hydrogen 2.632 N/A LYS 225.A NZ ASP 222.A OD1 no hydrogen 3.073 N/A ILE 227.A N ASP 267.A OD1 no hydrogen 2.959 N/A PHE 232.A N GLY 228.A O no hydrogen 2.841 N/A LYS 233.A N GLY 229.A O no hydrogen 2.936 N/A THR 234.A N LYS 230.A O no hydrogen 3.001 N/A THR 234.A OG1 LYS 230.A O no hydrogen 2.877 N/A GLN 235.A N GLU 231.A O no hydrogen 2.795 N/A THR 237.A OG1 THR 234.A O no hydrogen 2.349 N/A TYR 243.A N SER 282.A OG no hydrogen 3.238 N/A GLU 244.A N GLU 244.A OE1 no hydrogen 2.732 N/A TYR 245.A N ILE 242.A O no hydrogen 3.225 N/A TYR 245.A OH GLU 231.A OE2 no hydrogen 2.763 N/A GLU 247.A N TYR 243.A O no hydrogen 2.939 N/A ASN 248.A N GLU 244.A O no hydrogen 2.831 N/A LYS 249.A N TYR 245.A O no hydrogen 3.223 N/A LYS 249.A NZ ILE 223.A O no hydrogen 2.449 N/A LYS 249.A NZ LYS 225.A O no hydrogen 2.710 N/A TYR 250.A N LEU 246.A O no hydrogen 3.370 N/A TYR 250.A OH ASP 267.A OD2 no hydrogen 2.703 N/A ASN 251.A N GLU 247.A O no hydrogen 2.901 N/A THR 252.A N ASN 248.A O no hydrogen 2.906 N/A THR 252.A OG1 ASN 248.A O no hydrogen 2.649 N/A ILE 253.A N LYS 249.A O no hydrogen 2.934 N/A TYR 254.A N TYR 250.A O no hydrogen 3.145 N/A LYS 255.A N ASN 251.A O no hydrogen 2.860 N/A LYS 255.A NZ ASN 160.A OD1 no hydrogen 3.324 N/A GLN 256.A N THR 252.A O no hydrogen 2.812 N/A LEU 257.A N ILE 253.A O no hydrogen 2.894 N/A LYS 261.A NZ TYR 224.A O no hydrogen 2.643 N/A ILE 264.A N TYR 250.A OH no hydrogen 3.296 N/A VAL 268.A N ILE 264.A O no hydrogen 3.154 N/A THR 270.A N ASP 267.A O no hydrogen 2.997 N/A THR 270.A OG1 ASP 267.A O no hydrogen 2.773 N/A TYR 271.A N VAL 268.A O no hydrogen 2.784 N/A TYR 271.A OH GLU 306.A OE1 no hydrogen 2.712 N/A TYR 271.A OH GLU 306.A OE2 no hydrogen 3.241 N/A ALA 273.A N ALA 269.A O no hydrogen 2.986 N/A ILE 274.A N THR 270.A O no hydrogen 2.960 N/A ASN 275.A N TYR 271.A O no hydrogen 3.126 N/A SER 276.A N THR 272.A O no hydrogen 3.032 N/A SER 276.A OG THR 272.A O no hydrogen 3.071 N/A SER 277.A N ALA 273.A O no hydrogen 3.059 N/A SER 277.A OG LEU 238.A O no hydrogen 3.163 N/A SER 277.A OG GLU 239.A O no hydrogen 2.686 N/A GLN 278.A N ASN 275.A O no hydrogen 3.247 N/A GLN 278.A NE2 ASN 275.A O no hydrogen 3.334 N/A ASP 279.A N ILE 274.A O no hydrogen 3.108 N/A GLU 281.A N ASP 279.A OD1 no hydrogen 3.298 N/A SER 282.A OG ASP 279.A OD2 no hydrogen 2.442 N/A LYS 284.A N TRP 280.A O no hydrogen 3.219 N/A LYS 285.A NZ GLU 244.A OE2 no hydrogen 2.568 N/A LEU 286.A N SER 282.A O no hydrogen 2.777 N/A ALA 287.A N LEU 283.A O no hydrogen 3.059 N/A LYS 288.A N LYS 284.A O no hydrogen 3.329 N/A TYR 289.A N LYS 285.A O no hydrogen 3.016 N/A VAL 290.A N LEU 286.A O no hydrogen 3.041 N/A GLU 291.A N ALA 287.A O no hydrogen 3.243 N/A SER 292.A N LYS 288.A O no hydrogen 3.058 N/A SER 292.A OG LYS 288.A O no hydrogen 3.066 N/A SER 292.A OG TYR 289.A O no hydrogen 2.549 N/A ASN 293.A N TYR 289.A O no hydrogen 2.937 N/A ASN 293.A ND2 TYR 289.A O no hydrogen 2.922 N/A TYR 295.A N VAL 290.A O no hydrogen 3.077 N/A TYR 295.A OH PRO 263.A O no hydrogen 2.759 N/A THR 298.A N TYR 295.A O no hydrogen 2.930 N/A THR 298.A OG1 TYR 295.A O no hydrogen 2.713 N/A ALA 299.A N PRO 328.A O no hydrogen 2.920 N/A ASN 301.A ND2 GLU 327.A OE1.B no hydrogen 3.109 N/A PHE 302.A N ALA 299.A O no hydrogen 3.038 N/A LEU 304.A N PRO 300.A O no hydrogen 3.099 N/A ALA 305.A N ASN 301.A O no hydrogen 2.705 N/A GLU 306.A N PHE 302.A O no hydrogen 3.034 N/A TYR 307.A N PHE 303.A O no hydrogen 3.044 N/A TYR 308.A N LEU 304.A O no hydrogen 3.119 N/A GLU 309.A N ALA 305.A O no hydrogen 3.167 N/A LYS 310.A N GLU 306.A O no hydrogen 3.003 N/A ILE 311.A N TYR 307.A O no hydrogen 2.983 N/A GLY 312.A N TYR 308.A O no hydrogen 3.095 N/A ASP 313.A N TYR 308.A O no hydrogen 2.874 N/A LYS 315.A N ASP 313.A OD1 no hydrogen 2.892 N/A LYS 316.A N ASP 313.A OD1 no hydrogen 3.134 N/A LEU 318.A N ASP 314.A O no hydrogen 3.207 N/A LYS 319.A N LYS 315.A O no hydrogen 3.297 N/A THR 320.A N LYS 316.A O no hydrogen 2.818 N/A THR 320.A OG1 LYS 316.A O no hydrogen 2.462 N/A TYR 321.A N ALA 317.A O no hydrogen 2.915 N/A TYR 321.A OH GLU 309.A OE1 no hydrogen 3.400 N/A GLN 322.A N LEU 318.A O no hydrogen 3.100 N/A LYS 323.A N LYS 319.A O no hydrogen 3.299 N/A ALA 324.A N THR 320.A O no hydrogen 2.969 N/A TYR 325.A N TYR 321.A O no hydrogen 3.046 N/A THR 326.A N LYS 323.A O no hydrogen 3.372 N/A THR 326.A OG1 LYS 323.A O no hydrogen 2.625 N/A ILE 330.A N ILE 333.A O no hydrogen 3.047 N/A ILE 333.A N ILE 330.A O no hydrogen 2.948 N/A LEU 337.A N THR 334.A OG1 no hydrogen 3.282 N/A ILE 338.A N THR 334.A O no hydrogen 2.950 N/A ASN 339.A N GLY 335.A O no hydrogen 2.783 N/A GLU 340.A N ASP 336.A O no hydrogen 3.075 N/A ARG 341.A N LEU 337.A O no hydrogen 3.126 N/A ARG 341.A NH1 GLU 306.A OE2 no hydrogen 2.986 N/A ARG 341.A NH1 TYR 321.A OH no hydrogen 2.783 N/A ARG 341.A NH2 GLU 306.A OE2 no hydrogen 3.521 N/A ILE 342.A N ILE 338.A O no hydrogen 2.896 N/A THR 343.A N ASN 339.A O no hydrogen 3.074 N/A THR 343.A OG1 ASN 339.A O no hydrogen 3.199 N/A THR 343.A OG1 GLU 340.A O no hydrogen 3.123 N/A HIS 344.A N GLU 340.A O no hydrogen 3.352 N/A LEU 345.A N ARG 341.A O no hydrogen 3.280 N/A LEU 345.A N ILE 342.A O no hydrogen 3.013 N/A GLN 346.A N ILE 342.A O no hydrogen 2.927 N/A ALA 347.A N THR 343.A O no hydrogen 3.079 N/A THR 348.A OG1 LEU 345.A O no hydrogen 3.203 N/A