Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4a0a_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 7.A N SER 4.A O no hydrogen 3.264 N/A ILE 9.A N ILE 5.A O no hydrogen 3.367 N/A TYR 10.A N LEU 6.A O no hydrogen 3.120 N/A LYS 11.A N HIS 7.A O no hydrogen 2.661 N/A SER 12.A OG ILE 9.A O no hydrogen 2.858 N/A SER 13.A N TYR 10.A O no hydrogen 3.292 N/A SER 13.A OG TYR 10.A O no hydrogen 2.616 N/A LEU 14.A N LYS 11.A O no hydrogen 2.933 N/A GLY 15.A N SER 12.A O no hydrogen 3.155 N/A LEU 22.A N ILE 18.A O no hydrogen 3.221 N/A ARG 23.A N HIS 19.A O no hydrogen 3.352 N/A GLN 24.A N ALA 20.A O no hydrogen 3.222 N/A GLN 24.A NE2 GLN 21.A O no hydrogen 3.287 N/A CYS 25.A N GLN 21.A O no hydrogen 2.778 N/A CYS 25.A SG THR 3.A O no hydrogen 3.978 N/A LEU 26.A N ARG 23.A O no hydrogen 2.754 N/A PHE 30.A N GLN 27.A O no hydrogen 2.922 N/A ILE 31.A N GLN 27.A O no hydrogen 3.053 N/A ARG 32.A N GLU 28.A O no hydrogen 3.236 N/A SER 33.A N PRO 29.A O no hydrogen 3.135 N/A LEU 34.A N PHE 30.A O no hydrogen 2.915 N/A LEU 34.A N ILE 31.A O no hydrogen 3.166 N/A SER 36.A N SER 33.A O no hydrogen 3.161 N/A TYR 37.A N LEU 34.A O no hydrogen 3.161 N/A TYR 37.A OH ASP 339.A O no hydrogen 2.868 N/A LYS 38.A N ASN 353.A O no hydrogen 3.368 N/A SER 44.A OG ASN 348.A OD1 no hydrogen 3.242 N/A ARG 49.A NE THR 275.A OG1 no hydrogen 3.085 N/A VAL 50.A N GLY 346.A O no hydrogen 3.136 N/A THR 51.A N GLY 66.A O no hydrogen 3.308 N/A THR 51.A OG1 ILE 95.A O no hydrogen 2.687 N/A GLU 54.A N ALA 64.A O no hydrogen 3.000 N/A TRP 55.A NE1 LYS 333.A O no hydrogen 2.983 N/A HIS 56.A N THR 62.A O no hydrogen 2.899 N/A THR 58.A N HIS 56.A ND1 no hydrogen 3.372 N/A THR 61.A N HIS 59.A ND1 no hydrogen 3.432 N/A THR 61.A OG1 ASP 76.A OD1 no hydrogen 2.741 N/A THR 61.A OG1 ASP 76.A OD2 no hydrogen 3.348 N/A THR 62.A OG1 HIS 59.A ND1 no hydrogen 3.081 N/A THR 62.A OG1 ASP 76.A OD2 no hydrogen 3.478 N/A VAL 63.A N TRP 75.A O no hydrogen 3.047 N/A ALA 64.A N GLU 54.A O no hydrogen 3.034 N/A VAL 65.A N ILE 73.A O no hydrogen 3.259 N/A GLY 66.A N SER 52.A O no hydrogen 2.758 N/A SER 67.A OG ASP 71.A O no hydrogen 3.411 N/A LYS 68.A N ARG 49.A O no hydrogen 2.715 N/A GLY 69.A N SER 67.A OG no hydrogen 3.244 N/A GLY 70.A N SER 67.A O no hydrogen 2.796 N/A ASP 71.A N SER 67.A OG no hydrogen 2.802 N/A ILE 72.A N ILE 86.A O no hydrogen 2.640 N/A ILE 73.A N VAL 65.A O no hydrogen 3.236 N/A LEU 74.A N SER 84.A O no hydrogen 3.154 N/A TRP 75.A N VAL 63.A O no hydrogen 3.010 N/A VAL 79.A N ASP 76.A OD1 no hydrogen 3.430 N/A GLN 80.A N ASP 76.A O no hydrogen 3.207 N/A ASN 81.A N GLN 80.A OE1 no hydrogen 3.028 N/A ILE 86.A N ILE 72.A O no hydrogen 2.673 N/A GLY 88.A N ASP 71.A OD1 no hydrogen 3.376 N/A ASP 93.A N GLY 90.A O no hydrogen 3.198 N/A ILE 95.A N SER 67.A O no hydrogen 3.405 N/A THR 96.A N SER 111.A O no hydrogen 2.602 N/A THR 96.A OG1 SER 111.A O no hydrogen 3.512 N/A THR 96.A OG1 TYR 140.A O no hydrogen 3.517 N/A GLY 97.A N SER 111.A O no hydrogen 3.344 N/A LYS 99.A N PHE 109.A O no hydrogen 3.226 N/A LYS 99.A NZ ASP 144.A OD1 no hydrogen 2.777 N/A ASN 101.A N GLN 107.A O no hydrogen 3.351 N/A ASN 101.A ND2 ASN 104.A O no hydrogen 3.438 N/A ASN 101.A ND2 GLN 107.A OE1 no hydrogen 3.110 N/A PHE 103.A N ASN 101.A OD1 no hydrogen 3.241 N/A ASN 104.A ND2 ASN 106.A OD1 no hydrogen 3.072 N/A GLN 107.A N GLN 107.A OE1 no hydrogen 3.210 N/A LEU 108.A N ARG 120.A O no hydrogen 2.878 N/A PHE 109.A N LYS 99.A O no hydrogen 3.028 N/A VAL 110.A N THR 118.A O no hydrogen 2.818 N/A SER 111.A N GLY 97.A O no hydrogen 2.794 N/A ILE 113.A N ALA 94.A O no hydrogen 2.897 N/A ALA 116.A N SER 112.A O no hydrogen 3.172 N/A THR 118.A N VAL 110.A O no hydrogen 2.920 N/A THR 118.A OG1 ALA 116.A O no hydrogen 2.692 N/A LEU 119.A N GLN 128.A O no hydrogen 2.883 N/A ARG 120.A N LEU 108.A O no hydrogen 2.618 N/A SER 123.A N ASP 121.A OD2 no hydrogen 3.110 N/A SER 123.A OG ASP 121.A OD2 no hydrogen 3.510 N/A GLY 124.A N ASP 121.A O no hydrogen 2.990 N/A ILE 127.A N LEU 119.A O no hydrogen 3.032 N/A THR 133.A OG1 TYR 138.A O no hydrogen 3.521 N/A TRP 139.A N SER 157.A OG no hydrogen 2.791 N/A CYS 141.A N GLY 155.A O no hydrogen 3.285 N/A CYS 141.A SG TRP 139.A O no hydrogen 3.968 N/A CYS 142.A SG VAL 181.A O no hydrogen 3.396 N/A ASP 144.A N ALA 153.A O no hydrogen 3.340 N/A SER 146.A N MET 151.A O no hydrogen 3.112 N/A MET 151.A N SER 146.A O no hydrogen 3.186 N/A LEU 152.A N LEU 164.A O no hydrogen 3.153 N/A ALA 153.A N ASP 144.A O no hydrogen 3.028 N/A THR 154.A N LEU 162.A O no hydrogen 2.953 N/A THR 154.A OG1 CYS 142.A O no hydrogen 3.036 N/A THR 154.A OG1 ALA 153.A O no hydrogen 2.924 N/A SER 157.A N TRP 139.A O no hydrogen 2.924 N/A SER 157.A OG TRP 139.A O no hydrogen 3.168 N/A THR 158.A OG1 ASP 156.A OD1 no hydrogen 2.624 N/A GLY 159.A N ASP 156.A OD1 no hydrogen 2.782 N/A ARG 160.A N ASP 156.A OD1 no hydrogen 2.713 N/A LEU 161.A N GLU 174.A O no hydrogen 3.193 N/A LEU 162.A N THR 154.A O no hydrogen 2.745 N/A LEU 163.A N PHE 172.A O no hydrogen 2.799 N/A LEU 164.A N LEU 152.A O no hydrogen 3.184 N/A LEU 166.A N GLN 150.A O no hydrogen 3.255 N/A GLY 168.A N GLY 165.A O no hydrogen 3.109 N/A HIS 169.A N ASP 167.A OD1 no hydrogen 2.898 N/A ILE 171.A N LEU 163.A O no hydrogen 2.961 N/A PHE 172.A N LEU 163.A O no hydrogen 2.727 N/A LEU 176.A N GLY 159.A O no hydrogen 3.188 N/A HIS 177.A N GLY 159.A O no hydrogen 3.279 N/A HIS 177.A ND1 ASP 200.A OD2 no hydrogen 2.695 N/A HIS 177.A NE2 THR 196.A OG1 no hydrogen 3.077 N/A VAL 181.A N ASP 156.A O no hydrogen 3.116 N/A THR 182.A OG1 SER 197.A O no hydrogen 2.605 N/A THR 182.A OG1 SER 197.A OG no hydrogen 3.156 N/A THR 182.A OG1 VAL 227.A O no hydrogen 2.734 N/A THR 182.A OG1 ASN 228.A O no hydrogen 3.242 N/A HIS 183.A N SER 197.A O no hydrogen 3.139 N/A GLU 185.A N ALA 195.A O no hydrogen 3.117 N/A PHE 186.A N ASP 144.A OD2 no hydrogen 2.694 N/A ASN 187.A ND2 SER 237.A O no hydrogen 2.918 N/A ARG 189.A N ASN 187.A OD1 no hydrogen 3.076 N/A ARG 189.A NH1 ASP 236.A O no hydrogen 2.669 N/A ARG 189.A NH2 ASP 236.A O no hydrogen 3.208 N/A CYS 190.A N ASN 187.A OD1 no hydrogen 2.979 N/A LEU 193.A N CYS 190.A O no hydrogen 2.747 N/A MET 194.A N TRP 206.A O no hydrogen 2.828 N/A THR 196.A N LYS 204.A O no hydrogen 2.821 N/A THR 196.A OG1 HIS 177.A NE2 no hydrogen 3.077 N/A THR 196.A OG1 LYS 204.A O no hydrogen 3.025 N/A SER 197.A N HIS 183.A O no hydrogen 3.039 N/A SER 197.A OG THR 182.A OG1 no hydrogen 3.156 N/A SER 198.A N THR 202.A O no hydrogen 3.317 N/A SER 198.A OG ALA 179.A O no hydrogen 2.838 N/A SER 198.A OG LYS 180.A O no hydrogen 2.445 N/A VAL 199.A N LYS 180.A O no hydrogen 3.384 N/A ASP 200.A N SER 198.A OG no hydrogen 3.314 N/A ALA 201.A N SER 198.A O no hydrogen 3.238 N/A THR 202.A N ASP 200.A OD1 no hydrogen 3.033 N/A THR 202.A OG1 ASP 200.A OD1 no hydrogen 2.971 N/A THR 202.A OG1 ASP 200.A OD2 no hydrogen 2.753 N/A VAL 203.A N MET 221.A O no hydrogen 3.226 N/A LYS 204.A N THR 196.A O no hydrogen 2.614 N/A LYS 204.A NZ LYS 214.A O no hydrogen 3.367 N/A LEU 205.A N ALA 219.A O no hydrogen 3.174 N/A TRP 206.A N MET 194.A O no hydrogen 3.187 N/A TRP 206.A NE1 THR 196.A OG1 no hydrogen 2.739 N/A LEU 208.A N TRP 192.A O no hydrogen 2.959 N/A ARG 209.A N ASP 207.A OD1 no hydrogen 3.246 N/A LYS 212.A N SER 216.A OG no hydrogen 3.414 N/A ASP 213.A N SER 216.A OG no hydrogen 3.085 N/A SER 216.A N ASP 213.A O no hydrogen 2.888 N/A SER 216.A OG ASP 213.A O no hydrogen 2.423 N/A ILE 218.A N LEU 205.A O no hydrogen 2.839 N/A ALA 219.A N LEU 205.A O no hydrogen 3.462 N/A MET 221.A N VAL 203.A O no hydrogen 3.235 N/A HIS 223.A N ALA 201.A O no hydrogen 2.690 N/A VAL 227.A N SER 198.A O no hydrogen 3.340 N/A ASN 228.A N THR 243.A O no hydrogen 3.104 N/A TYR 231.A N LEU 241.A O no hydrogen 2.974 N/A PHE 232.A N GLU 185.A OE1 no hydrogen 3.035 N/A ASN 233.A N LYS 239.A O no hydrogen 3.237 N/A ASN 233.A ND2 ASP 236.A OD1 no hydrogen 2.916 N/A ASN 233.A ND2 ASP 286.A OD1 no hydrogen 3.089 N/A THR 235.A OG1 ASP 286.A OD1 no hydrogen 2.956 N/A SER 237.A N ASN 233.A O no hydrogen 2.895 N/A THR 238.A N ASP 236.A OD1 no hydrogen 3.157 N/A THR 238.A OG1 ASP 236.A OD1 no hydrogen 2.712 N/A THR 238.A OG1 ASP 236.A OD2 no hydrogen 3.237 N/A LYS 239.A N ASN 233.A OD1 no hydrogen 2.787 N/A LEU 240.A N TYR 252.A O no hydrogen 2.799 N/A LEU 241.A N TYR 231.A O no hydrogen 2.718 N/A THR 242.A N ARG 250.A O no hydrogen 3.012 N/A THR 243.A N ALA 229.A O no hydrogen 3.322 N/A ASP 244.A N GLU 248.A O no hydrogen 2.968 N/A GLN 245.A NE2 ASN 228.A OD1 no hydrogen 3.060 N/A ARG 246.A N ASP 244.A OD2 no hydrogen 2.931 N/A ARG 246.A NH1 ASP 295.A OD2 no hydrogen 3.088 N/A ASN 247.A N ASP 244.A OD2 no hydrogen 3.261 N/A GLU 248.A N ASP 244.A OD1 no hydrogen 2.482 N/A ILE 249.A N ILE 264.A O no hydrogen 3.231 N/A ARG 250.A N THR 242.A O no hydrogen 2.874 N/A ARG 250.A NH1 PRO 222.A O no hydrogen 3.026 N/A ARG 250.A NH1 TYR 252.A OH no hydrogen 3.322 N/A ARG 250.A NH2 GLU 248.A OE2 no hydrogen 3.490 N/A VAL 251.A N GLN 262.A O no hydrogen 3.069 N/A TYR 252.A N LEU 240.A O no hydrogen 2.758 N/A SER 254.A N THR 238.A O no hydrogen 2.937 N/A ASP 256.A N SER 253.A O no hydrogen 3.221 N/A SER 258.A N ASP 256.A OD1 no hydrogen 3.253 N/A SER 258.A OG ASP 256.A OD1 no hydrogen 2.548 N/A LYS 259.A NZ ASP 256.A OD2 no hydrogen 2.947 N/A ASP 261.A N VAL 251.A O no hydrogen 2.737 N/A ILE 264.A N ILE 249.A O no hydrogen 3.222 N/A HIS 266.A ND1 HIS 268.A ND1 no hydrogen 3.014 N/A HIS 268.A N ARG 246.A O no hydrogen 2.956 N/A HIS 268.A ND1 HIS 266.A ND1 no hydrogen 3.014 N/A HIS 268.A ND1 HIS 266.A O no hydrogen 2.479 N/A HIS 268.A NE2 ASP 244.A O no hydrogen 2.809 N/A GLN 270.A NE2 LEU 274.A O no hydrogen 3.094 N/A THR 275.A OG1 VAL 50.A O no hydrogen 2.676 N/A ALA 279.A N THR 243.A OG1 no hydrogen 2.948 N/A THR 280.A N VAL 289.A O no hydrogen 2.882 N/A THR 280.A OG1 ASN 332.A O no hydrogen 2.700 N/A TRP 281.A NE1 TYR 231.A O no hydrogen 2.743 N/A HIS 282.A N LEU 287.A O no hydrogen 2.940 N/A HIS 282.A NE2 GLY 338.A O no hydrogen 2.824 N/A MET 284.A N HIS 282.A ND1 no hydrogen 3.066 N/A LEU 287.A N TYR 285.A O no hydrogen 2.905 N/A ILE 288.A N TYR 309.A O no hydrogen 2.762 N/A VAL 289.A N THR 280.A O no hydrogen 3.128 N/A ALA 290.A N ASP 307.A O no hydrogen 3.020 N/A ARG 292.A N THR 305.A O no hydrogen 2.959 N/A ARG 292.A NE ASP 307.A OD1 no hydrogen 3.506 N/A ARG 292.A NE ASP 307.A OD2 no hydrogen 2.651 N/A TYR 293.A N PRO 267.A O no hydrogen 2.869 N/A ARG 304.A NH1 ALA 326.A O no hydrogen 2.862 N/A THR 305.A N LYS 303.A O no hydrogen 2.943 N/A THR 305.A OG1 ASP 307.A OD1 no hydrogen 2.986 N/A ASP 307.A N ALA 290.A O no hydrogen 2.853 N/A ILE 308.A N HIS 318.A O no hydrogen 3.120 N/A TYR 309.A N ILE 288.A O no hydrogen 2.650 N/A TYR 309.A OH ASP 307.A OD2 no hydrogen 3.178 N/A ASP 310.A N GLY 315.A O no hydrogen 3.088 N/A ALA 311.A N ASP 286.A O no hydrogen 3.162 N/A ASN 312.A N ASP 310.A OD1 no hydrogen 3.112 N/A SER 313.A OG ASP 310.A O no hydrogen 3.465 N/A GLY 314.A N ASP 310.A O no hydrogen 2.691 N/A GLY 315.A N SER 313.A OG no hydrogen 2.882 N/A VAL 317.A N ILE 308.A O no hydrogen 3.084 N/A GLN 319.A NE2 THR 305.A OG1 no hydrogen 3.288 N/A LEU 320.A N ILE 306.A O no hydrogen 3.029 N/A ASN 324.A N ASP 322.A OD1 no hydrogen 2.851 N/A ASN 324.A ND2 ASP 322.A OD2 no hydrogen 3.549 N/A SER 330.A OG THR 275.A O no hydrogen 3.406 N/A LEU 331.A N GLY 344.A O no hydrogen 3.198 N/A LYS 333.A N ALA 342.A O no hydrogen 2.961 N/A LYS 333.A NZ LEU 53.A O no hydrogen 3.194 N/A SER 335.A N VAL 340.A O no hydrogen 2.968 N/A THR 337.A N SER 335.A OG no hydrogen 3.141 N/A LEU 341.A N TRP 352.A O no hydrogen 2.741 N/A ALA 342.A N LYS 333.A O no hydrogen 3.040 N/A SER 343.A N LEU 350.A O no hydrogen 2.948 N/A SER 343.A OG LEU 331.A O no hydrogen 3.103 N/A SER 343.A OG ASN 332.A OD1 no hydrogen 2.631 N/A GLY 344.A N LEU 331.A O no hydrogen 2.516 N/A MET 345.A N ASN 348.A O no hydrogen 2.978 N/A ASN 348.A N MET 345.A O no hydrogen 2.851 N/A ILE 349.A N ALA 43.A O no hydrogen 2.713 N/A LEU 350.A N SER 343.A O no hydrogen 2.699 N/A TRP 352.A N LEU 341.A O no hydrogen 2.589 N/A