Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wkr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 11.A N LEU 9.A O no hydrogen 2.550 N/A ILE 18.A N GLY 322.A O no hydrogen 3.048 N/A ASN 19.A ND2 GLN 24.A OE1 no hydrogen 3.047 N/A LEU 20.A N GLY 324.A O no hydrogen 2.833 N/A ASN 21.A N ASN 19.A OD1 no hydrogen 3.250 N/A ILE 23.A N ASN 21.A OD1 no hydrogen 3.223 N/A GLN 24.A N ASN 21.A O no hydrogen 3.114 N/A ARG 25.A NE TYR 339.A O no hydrogen 2.601 N/A ARG 25.A NH1 ASN 19.A O no hydrogen 2.621 N/A ARG 25.A NH2 TYR 339.A O no hydrogen 2.662 N/A LYS 34.A N PRO 30.A O no hydrogen 3.173 N/A LYS 35.A N LYS 31.A O no hydrogen 3.398 N/A ALA 36.A N GLU 32.A O no hydrogen 3.263 N/A VAL 37.A N ALA 33.A O no hydrogen 2.596 N/A TYR 38.A N LYS 34.A O no hydrogen 3.242 N/A GLU 39.A N LYS 35.A O no hydrogen 3.171 N/A TYR 40.A N ALA 36.A O no hydrogen 3.016 N/A PHE 48.A N PRO 44.A O no hydrogen 2.895 N/A LEU 49.A N ILE 45.A O no hydrogen 3.046 N/A ASP 51.A N ASP 47.A O no hydrogen 3.244 N/A ILE 52.A N PHE 48.A O no hydrogen 2.865 N/A ALA 53.A N GLU 50.A O no hydrogen 3.249 N/A LYS 54.A N GLU 50.A O no hydrogen 3.129 N/A LYS 54.A NZ GLU 50.A O no hydrogen 3.246 N/A PHE 55.A N ASP 51.A O no hydrogen 2.836 N/A ASN 57.A N LYS 54.A O no hydrogen 3.452 N/A ASN 57.A ND2 ASN 185.A OD1 no hydrogen 2.569 N/A MET 58.A N ALA 53.A O no hydrogen 2.731 N/A CYS 60.A N PHE 212.A O no hydrogen 2.859 N/A CYS 60.A SG GLU 214.A OE1 no hydrogen 3.541 N/A ARG 62.A N LEU 210.A O no hydrogen 2.704 N/A ARG 62.A NH1 ALA 61.A O no hydrogen 3.563 N/A THR 64.A N GLY 208.A O no hydrogen 3.100 N/A THR 64.A OG1 GLY 66.A O no hydrogen 3.074 N/A ARG 68.A NH2 TYR 93.A OH no hydrogen 2.351 N/A GLY 70.A N GLY 66.A O no hydrogen 3.356 N/A LYS 71.A N ALA 67.A O no hydrogen 3.299 N/A LYS 71.A NZ THR 94.A OG1 no hydrogen 2.795 N/A LYS 71.A NZ SER 95.A OG no hydrogen 2.641 N/A PHE 72.A N GLU 69.A O no hydrogen 2.836 N/A ILE 73.A N GLU 69.A O no hydrogen 2.976 N/A HIS 76.A N PHE 72.A O no hydrogen 3.049 N/A ILE 78.A N VAL 74.A O no hydrogen 3.288 N/A ASP 83.A N LYS 80.A O no hydrogen 3.206 N/A TYR 84.A N ASN 138.A O no hydrogen 3.003 N/A VAL 85.A N ASN 105.A O no hydrogen 2.791 N/A VAL 86.A N LEU 141.A O no hydrogen 3.238 N/A LEU 87.A N ALA 107.A O no hydrogen 2.939 N/A LYS 89.A NZ GLU 108.A OE1 no hydrogen 2.481 N/A ASN 90.A ND2 TYR 118.A O no hydrogen 2.936 N/A HIS 92.A ND1 THR 94.A OG1 no hydrogen 2.831 N/A THR 94.A OG1 HIS 92.A ND1 no hydrogen 2.831 N/A SER 95.A N HIS 92.A O no hydrogen 3.069 N/A TYR 96.A N TYR 93.A O no hydrogen 3.308 N/A TYR 96.A OH GLU 108.A OE2 no hydrogen 3.289 N/A VAL 97.A N TYR 93.A O no hydrogen 3.361 N/A ALA 98.A N THR 94.A O no hydrogen 3.194 N/A GLU 100.A N TYR 96.A O no hydrogen 3.302 N/A ARG 101.A N VAL 97.A O no hydrogen 2.768 N/A ALA 102.A N ALA 98.A O no hydrogen 3.350 N/A LYS 103.A N GLU 100.A O no hydrogen 3.187 N/A LEU 104.A N ALA 99.A O no hydrogen 2.612 N/A ASN 105.A N ASP 83.A O no hydrogen 2.917 N/A ASN 105.A ND2 GLY 82.A O no hydrogen 2.604 N/A ALA 107.A N VAL 85.A O no hydrogen 3.204 N/A VAL 109.A N LEU 87.A O no hydrogen 2.787 N/A TYR 111.A OH ASN 90.A OD1 no hydrogen 2.972 N/A GLU 112.A N LYS 119.A O no hydrogen 2.582 N/A TYR 115.A OH GLU 296.A OE1 no hydrogen 2.439 N/A THR 117.A OG1 GLU 113.A OE1 no hydrogen 3.154 N/A THR 117.A OG1 GLU 113.A OE2 no hydrogen 2.956 N/A TYR 118.A N GLU 114.A O no hydrogen 2.576 N/A ASN 121.A N GLY 110.A O no hydrogen 3.302 N/A GLU 123.A N GLU 123.A OE1 no hydrogen 2.733 N/A GLY 124.A N ASN 121.A O no hydrogen 2.899 N/A TYR 125.A N LEU 122.A O no hydrogen 3.297 N/A TYR 125.A OH LEU 143.A O no hydrogen 2.866 N/A LYS 126.A NZ ASP 130.A OD1 no hydrogen 3.547 N/A LYS 126.A NZ ASP 130.A OD2 no hydrogen 3.012 N/A VAL 128.A N GLY 124.A O no hydrogen 3.057 N/A ILE 129.A N TYR 125.A O no hydrogen 3.299 N/A ASP 130.A N LYS 126.A O no hydrogen 3.382 N/A ASN 131.A N GLU 127.A O no hydrogen 3.124 N/A LEU 132.A N ILE 129.A O no hydrogen 3.202 N/A GLU 133.A N ILE 129.A O no hydrogen 2.989 N/A ASP 134.A N ASP 130.A O no hydrogen 3.097 N/A LYS 135.A NZ ASN 131.A O no hydrogen 2.851 N/A GLY 136.A N GLU 133.A O no hydrogen 3.250 N/A GLY 140.A N TYR 84.A O no hydrogen 3.110 N/A ILE 142.A N PRO 170.A O no hydrogen 2.997 N/A LEU 143.A N VAL 86.A O no hydrogen 2.974 N/A LEU 144.A N LEU 172.A O no hydrogen 3.060 N/A THR 145.A N ASP 88.A OD1 no hydrogen 2.805 N/A THR 145.A OG1 ASP 88.A OD1 no hydrogen 3.124 N/A THR 145.A OG1 ASP 88.A OD2 no hydrogen 2.526 N/A HIS 146.A N ASN 174.A O no hydrogen 2.978 N/A GLU 150.A N ASP 148.A OD2 no hydrogen 3.256 N/A TYR 151.A N ASP 148.A OD2 no hydrogen 2.737 N/A GLY 152.A N ASP 148.A OD2 no hydrogen 3.193 N/A ASN 153.A N ASP 148.A OD1 no hydrogen 2.829 N/A ASN 153.A ND2 THR 117.A O no hydrogen 3.022 N/A ASN 153.A ND2 TYR 118.A O no hydrogen 3.432 N/A ASN 155.A N HIS 146.A O no hydrogen 3.058 N/A LYS 158.A N ASP 156.A OD1 no hydrogen 3.325 N/A LYS 159.A N ASP 156.A O no hydrogen 3.195 N/A GLY 161.A N ALA 157.A O no hydrogen 2.940 N/A LYS 162.A N LYS 158.A O no hydrogen 3.099 N/A ILE 163.A N LYS 159.A O no hydrogen 3.282 N/A ALA 164.A N VAL 160.A O no hydrogen 2.948 N/A LYS 165.A N GLY 161.A O no hydrogen 3.112 N/A LYS 165.A N LYS 162.A O no hydrogen 3.002 N/A GLU 166.A N LYS 162.A O no hydrogen 2.905 N/A LYS 167.A N ILE 163.A O no hydrogen 3.186 N/A LYS 167.A NZ ASP 130.A OD1 no hydrogen 3.553 N/A GLY 168.A N ALA 164.A O no hydrogen 3.212 N/A PHE 171.A N ASP 192.A OD2 no hydrogen 3.360 N/A LEU 172.A N ILE 142.A O no hydrogen 2.852 N/A LEU 173.A N PHE 193.A O no hydrogen 2.679 N/A ASN 174.A N LEU 144.A O no hydrogen 2.944 N/A CYS 175.A N VAL 195.A O no hydrogen 2.805 N/A CYS 175.A SG HIS 146.A ND1 no hydrogen 3.730 N/A CYS 175.A SG LEU 173.A O no hydrogen 3.733 N/A VAL 179.A N CYS 175.A O no hydrogen 3.194 N/A ARG 181.A N THR 178.A O no hydrogen 3.193 N/A ARG 181.A NE SER 200.A OG no hydrogen 3.090 N/A MET 182.A N THR 178.A O no hydrogen 3.196 N/A GLY 186.A N LEU 56.A O no hydrogen 2.839 N/A LYS 187.A NZ ASN 57.A O no hydrogen 3.401 N/A LYS 187.A NZ ASP 59.A OD1 no hydrogen 2.732 N/A GLU 188.A N ASN 185.A OD1 no hydrogen 3.354 N/A LYS 190.A N LYS 187.A O no hydrogen 3.288 N/A ALA 191.A N GLY 186.A O no hydrogen 3.066 N/A ASP 192.A N PHE 171.A O no hydrogen 3.057 N/A PHE 193.A N PHE 171.A O no hydrogen 2.861 N/A ILE 194.A N ALA 211.A O no hydrogen 2.772 N/A VAL 195.A N LEU 173.A O no hydrogen 3.182 N/A ALA 196.A N ILE 209.A O no hydrogen 2.897 N/A GLY 198.A N CYS 207.A O no hydrogen 2.673 N/A SER 200.A OG ALA 176.A O no hydrogen 2.539 N/A ALA 202.A N GLY 26.A O no hydrogen 2.724 N/A ALA 203.A N GLY 198.A O no hydrogen 2.839 N/A SER 204.A N THR 246.A OG1 no hydrogen 3.365 N/A CYS 207.A N HIS 199.A ND1 no hydrogen 3.097 N/A ILE 209.A N ALA 196.A O no hydrogen 2.731 N/A LEU 210.A N ARG 62.A O no hydrogen 2.789 N/A ALA 211.A N ILE 194.A O no hydrogen 2.698 N/A PHE 212.A N CYS 60.A O no hydrogen 3.146 N/A SER 213.A N ASP 192.A O no hydrogen 3.260 N/A GLU 214.A N ASP 59.A OD2 no hydrogen 2.707 N/A ILE 220.A N PHE 216.A O no hydrogen 3.192 N/A THR 221.A N SER 217.A O no hydrogen 3.211 N/A THR 221.A OG1 SER 217.A O no hydrogen 2.327 N/A THR 223.A OG1 SER 224.A O no hydrogen 3.501 N/A THR 223.A OG1 LYS 230.A O no hydrogen 3.269 N/A SER 224.A N LYS 230.A O no hydrogen 3.233 N/A SER 224.A OG PHE 227.A O no hydrogen 2.407 N/A SER 224.A OG LYS 230.A O no hydrogen 3.384 N/A PHE 227.A N SER 224.A OG no hydrogen 3.294 N/A ILE 232.A N LYS 222.A O no hydrogen 2.992 N/A LEU 235.A N ILE 232.A O no hydrogen 2.984 N/A CYS 237.A SG VAL 229.A O no hydrogen 3.206 N/A SER 239.A N THR 238.A OG1 no hydrogen 2.599 N/A THR 246.A N LEU 242.A O no hydrogen 3.335 N/A THR 246.A OG1 PRO 243.A O no hydrogen 2.386 N/A LEU 247.A N PRO 243.A O no hydrogen 3.068 N/A MET 248.A N ILE 244.A O no hydrogen 3.285 N/A ALA 249.A N VAL 245.A O no hydrogen 3.158 N/A SER 250.A N THR 246.A O no hydrogen 2.984 N/A SER 250.A OG ALA 202.A O no hydrogen 3.046 N/A SER 250.A OG THR 246.A O no hydrogen 2.759 N/A VAL 254.A N SER 250.A O no hydrogen 2.814 N/A VAL 255.A N PHE 251.A O no hydrogen 2.906 N/A GLU 256.A N HIS 253.A O no hydrogen 3.237 N/A ARG 257.A N VAL 254.A O no hydrogen 3.032 N/A ARG 257.A NE GLY 180.A O no hydrogen 3.074 N/A ARG 257.A NH2 GLY 26.A O no hydrogen 2.855 N/A ARG 257.A NH2 SER 200.A O no hydrogen 2.793 N/A VAL 258.A N VAL 254.A O no hydrogen 3.054 N/A GLU 264.A N TRP 261.A O no hydrogen 3.005 N/A LEU 265.A N ASP 262.A O no hydrogen 3.261 N/A LYS 266.A N ASP 262.A O no hydrogen 3.184 N/A LYS 267.A NZ LEU 341.A O no hydrogen 2.692 N/A THR 268.A OG1 GLU 264.A O no hydrogen 2.981 N/A ARG 269.A N LEU 265.A O no hydrogen 2.865 N/A ARG 269.A NE LYS 288.A O no hydrogen 3.138 N/A ARG 269.A NH2 LYS 288.A O no hydrogen 3.354 N/A TYR 270.A N LYS 266.A O no hydrogen 3.111 N/A VAL 271.A N LYS 267.A O no hydrogen 3.107 N/A VAL 272.A N THR 268.A O no hydrogen 2.923 N/A ASP 273.A N ARG 269.A O no hydrogen 3.013 N/A GLU 274.A N TYR 270.A O no hydrogen 3.029 N/A LEU 275.A N VAL 271.A O no hydrogen 3.075 N/A GLU 276.A N VAL 272.A O no hydrogen 3.129 N/A LYS 277.A NZ GLU 274.A OE2 no hydrogen 3.500 N/A PHE 280.A N LEU 275.A O no hydrogen 3.333 N/A LYS 281.A N GLU 296.A O no hydrogen 3.127 N/A LYS 281.A NZ TYR 115.A OH no hydrogen 3.316 N/A GLN 282.A NE2 LEU 283.A O no hydrogen 3.500 N/A GLN 282.A NE2 GLY 284.A O no hydrogen 3.483 N/A GLN 282.A NE2 ILE 285.A O no hydrogen 3.313 N/A LEU 283.A N LYS 294.A O no hydrogen 3.015 N/A GLY 284.A N PRO 116.A O no hydrogen 2.568 N/A ILE 285.A N ASN 153.A OD1 no hydrogen 2.792 N/A LYS 286.A NZ GLN 282.A O no hydrogen 3.196 N/A LYS 288.A NZ TYR 151.A O no hydrogen 2.889 N/A LYS 288.A NZ LEU 292.A O no hydrogen 3.257 N/A HIS 290.A NE2 TYR 177.A O no hydrogen 2.699 N/A LEU 292.A N HIS 290.A ND1 no hydrogen 3.272 N/A ILE 293.A N MET 336.A O no hydrogen 3.106 N/A LYS 294.A NZ GLU 150.A OE2 no hydrogen 3.423 N/A PHE 295.A N ILE 334.A O no hydrogen 2.931 N/A GLU 296.A N LYS 281.A O no hydrogen 2.676 N/A THR 297.A N LYS 332.A O no hydrogen 3.456 N/A THR 297.A OG1 THR 297.A O no hydrogen 2.574 N/A THR 297.A OG1 THR 331.A O no hydrogen 2.383 N/A GLU 302.A N PRO 298.A O no hydrogen 3.170 N/A ILE 303.A N VAL 299.A O no hydrogen 3.206 N/A ALA 304.A N LEU 300.A O no hydrogen 3.225 N/A LYS 305.A N ASP 301.A O no hydrogen 3.271 N/A LYS 305.A N GLU 302.A O no hydrogen 3.156 N/A LYS 306.A N GLU 302.A O no hydrogen 3.499 N/A ARG 309.A NH2 GLU 317.A OE2 no hydrogen 2.556 N/A PHE 312.A N ARG 309.A O no hydrogen 3.270 N/A PHE 313.A N ARG 310.A O no hydrogen 3.207 N/A ASP 316.A N PHE 312.A O no hydrogen 3.348 N/A GLU 317.A N PHE 313.A O no hydrogen 3.101 N/A LEU 318.A N PHE 314.A O no hydrogen 3.155 N/A LYS 319.A N TYR 315.A O no hydrogen 3.112 N/A LYS 320.A N ASP 316.A O no hydrogen 3.043 N/A ARG 321.A N LEU 318.A O no hydrogen 3.223 N/A ARG 321.A NH1 GLU 355.A OE1 no hydrogen 3.026 N/A ARG 321.A NH2 GLU 355.A OE1 no hydrogen 3.128 N/A GLY 322.A N LYS 319.A O no hydrogen 3.345 N/A ILE 323.A N LEU 318.A O no hydrogen 2.680 N/A GLY 324.A N ILE 18.A O no hydrogen 2.959 N/A GLY 329.A N GLY 311.A O no hydrogen 3.230 N/A VAL 330.A N ARG 327.A O no hydrogen 3.498 N/A THR 331.A OG1 ASP 301.A OD1 no hydrogen 2.896 N/A ILE 334.A N PHE 295.A O no hydrogen 3.173 N/A LYS 335.A NZ GLY 149.A O no hydrogen 3.101 N/A LYS 335.A NZ GLU 150.A OE2 no hydrogen 3.037 N/A MET 336.A N ILE 293.A O no hydrogen 3.073 N/A SER 337.A N LEU 20.A O no hydrogen 3.008 N/A SER 337.A OG ASP 291.A O no hydrogen 3.483 N/A SER 337.A OG ASP 291.A OD1 no hydrogen 3.011 N/A GLY 340.A N GLU 264.A OE1 no hydrogen 3.338 N/A LEU 341.A N VAL 338.A O no hydrogen 3.382 N/A GLN 345.A N GLU 342.A O no hydrogen 2.783 N/A VAL 346.A N GLU 342.A O no hydrogen 2.874 N/A GLU 347.A N TRP 343.A O no hydrogen 2.925 N/A TYR 348.A N GLU 344.A O no hydrogen 3.196 N/A TYR 348.A OH ARG 321.A O no hydrogen 2.581 N/A VAL 349.A N GLN 345.A O no hydrogen 3.140 N/A VAL 350.A N VAL 346.A O no hydrogen 3.260 N/A ASN 351.A N GLU 347.A O no hydrogen 3.003 N/A ALA 352.A N TYR 348.A O no hydrogen 3.023 N/A ILE 353.A N VAL 349.A O no hydrogen 3.092 N/A LYS 354.A N VAL 350.A O no hydrogen 3.013 N/A LYS 354.A NZ GLU 274.A OE2 no hydrogen 3.079 N/A GLU 355.A N ASN 351.A O no hydrogen 3.152 N/A ILE 356.A N ALA 352.A O no hydrogen 2.838 N/A VAL 357.A N ILE 353.A O no hydrogen 3.167 N/A GLU 358.A N LYS 354.A O no hydrogen 3.214 N/A SER 359.A N GLU 355.A O no hydrogen 2.921 N/A CYS 360.A N ILE 356.A O no hydrogen 3.048 N/A CYS 360.A SG ILE 356.A O no hydrogen 3.190 N/A LYS 361.A N GLU 358.A O no hydrogen 3.275 N/A