Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a0b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 5.A N ASN 3.A OD1 no hydrogen 2.815 N/A ARG 7.A N LEU 4.A O no hydrogen 3.211 N/A PHE 8.A N LEU 4.A O no hydrogen 3.195 N/A CYS 9.A N TRP 5.A O no hydrogen 2.940 N/A CYS 9.A SG TRP 5.A O no hydrogen 3.618 N/A ASN 10.A N ARG 7.A O no hydrogen 2.448 N/A TRP 11.A N ARG 7.A O no hydrogen 2.914 N/A VAL 12.A N PHE 8.A O no hydrogen 2.927 N/A THR 13.A N ASN 10.A O no hydrogen 3.213 N/A THR 13.A OG1 CYS 9.A O no hydrogen 2.589 N/A THR 13.A OG1 ASN 10.A O no hydrogen 3.410 N/A SER 14.A N TRP 11.A O no hydrogen 3.453 N/A ASP 16.A N SER 14.A OG no hydrogen 3.244 N/A TYR 20.A OH GLU 123.A OE2 no hydrogen 2.572 N/A TRP 23.A N GLU 123.A OE2 no hydrogen 2.548 N/A PHE 24.A N GLU 123.A OE1 no hydrogen 3.128 N/A VAL 26.A N GLY 22.A O no hydrogen 3.051 N/A VAL 26.A N TRP 23.A O no hydrogen 2.556 N/A ILE 27.A N PHE 24.A O no hydrogen 2.895 N/A MET 28.A N PHE 24.A O no hydrogen 2.786 N/A ILE 29.A N GLY 25.A O no hydrogen 2.888 N/A THR 31.A OG1 ILE 27.A O no hydrogen 2.632 N/A LEU 32.A N MET 28.A O no hydrogen 2.612 N/A LEU 33.A N ILE 29.A O no hydrogen 2.860 N/A ALA 34.A N PRO 30.A O no hydrogen 3.293 N/A ALA 35.A N THR 31.A O no hydrogen 3.155 N/A THR 36.A N LEU 32.A O no hydrogen 3.073 N/A THR 36.A OG1 LEU 32.A O no hydrogen 2.624 N/A ILE 37.A N LEU 33.A O no hydrogen 3.203 N/A CYS 38.A N ALA 34.A O no hydrogen 3.126 N/A PHE 39.A N ALA 35.A O no hydrogen 2.848 N/A VAL 40.A N THR 36.A O no hydrogen 2.568 N/A ILE 41.A N ILE 37.A O no hydrogen 3.243 N/A ILE 41.A N CYS 38.A O no hydrogen 2.790 N/A ALA 42.A N CYS 38.A O no hydrogen 3.022 N/A ILE 44.A N ILE 41.A O no hydrogen 2.603 N/A ALA 45.A N ILE 41.A O no hydrogen 3.025 N/A ALA 46.A N SER 61.A OG no hydrogen 3.191 N/A ASP 50.A N TYR 98.A O no hydrogen 3.224 N/A GLU 56.A N ILE 54.A O no hydrogen 2.851 N/A SER 59.A OG ALA 46.A O no hydrogen 2.816 N/A LEU 62.A N ILE 44.A O no hydrogen 3.220 N/A LEU 63.A N ILE 44.A O no hydrogen 3.024 N/A THR 70.A OG1 GLY 65.A O no hydrogen 2.700 N/A THR 70.A OG1 ASN 67.A O no hydrogen 3.133 N/A GLY 71.A N THR 70.A OG1 no hydrogen 2.352 N/A VAL 73.A N LEU 165.A O no hydrogen 2.487 N/A SER 77.A OG ASP 50.A O no hydrogen 2.928 N/A SER 77.A OG ILE 51.A O no hydrogen 2.573 N/A SER 77.A OG ASP 52.A O no hydrogen 3.284 N/A LEU 82.A N SER 158.A OG no hydrogen 2.993 N/A TYR 85.A N GLN 104.A OE1 no hydrogen 2.719 N/A TYR 85.A OH GLU 95.A OE2 no hydrogen 3.177 N/A ALA 91.A N GLU 95.A OE2 no hydrogen 3.002 N/A SER 92.A OG ASP 94.A OD1 no hydrogen 3.560 N/A GLU 95.A N SER 92.A O no hydrogen 2.379 N/A GLU 95.A N SER 92.A OG no hydrogen 2.666 N/A TRP 96.A N SER 92.A O no hydrogen 2.850 N/A LEU 97.A N ASP 94.A O no hydrogen 3.351 N/A TYR 98.A N ASP 94.A O no hydrogen 3.107 N/A ASN 99.A N GLU 95.A O no hydrogen 3.201 N/A ASN 99.A ND2 GLU 95.A O no hydrogen 2.592 N/A GLY 100.A N LEU 97.A O no hydrogen 3.287 N/A TYR 103.A N GLY 100.A O no hydrogen 2.657 N/A TYR 103.A OH GLY 162.A O no hydrogen 2.336 N/A GLN 104.A NE2 HIS 83.A O no hydrogen 3.406 N/A ILE 106.A N PRO 102.A O no hydrogen 3.394 N/A ILE 107.A N TYR 103.A O no hydrogen 3.051 N/A PHE 108.A N GLN 104.A O no hydrogen 3.118 N/A HIS 109.A N LEU 105.A O no hydrogen 3.354 N/A HIS 109.A ND1 LEU 105.A O no hydrogen 2.549 N/A PHE 110.A N ILE 106.A O no hydrogen 2.817 N/A LEU 111.A N ILE 107.A O no hydrogen 2.698 N/A LEU 112.A N PHE 108.A O no hydrogen 2.866 N/A GLY 113.A N HIS 109.A O no hydrogen 2.639 N/A ALA 114.A N PHE 110.A O no hydrogen 3.145 N/A SER 115.A N LEU 111.A O no hydrogen 3.070 N/A SER 115.A OG LEU 111.A O no hydrogen 3.534 N/A CYS 116.A N LEU 112.A O no hydrogen 2.843 N/A CYS 116.A SG PHE 24.A O no hydrogen 3.555 N/A CYS 116.A SG LEU 112.A O no hydrogen 3.881 N/A TYR 117.A N GLY 113.A O no hydrogen 2.628 N/A MET 118.A N ALA 114.A O no hydrogen 2.693 N/A GLY 119.A N SER 115.A O no hydrogen 2.884 N/A ARG 120.A N CYS 116.A O no hydrogen 2.679 N/A ARG 120.A NH1 TYR 20.A O no hydrogen 2.522 N/A GLN 121.A N MET 118.A O no hydrogen 3.249 N/A TRP 122.A N GLY 119.A O no hydrogen 2.527 N/A SER 125.A OG PRO 132.A O no hydrogen 3.408 N/A TYR 126.A N TRP 122.A O no hydrogen 3.037 N/A ARG 127.A N GLU 123.A O no hydrogen 2.841 N/A ILE 134.A N PRO 132.A O no hydrogen 2.908 N/A ALA 137.A N ILE 134.A O no hydrogen 2.597 N/A TYR 138.A N CYS 135.A O no hydrogen 3.172 N/A SER 139.A N VAL 136.A O no hydrogen 2.959 N/A SER 139.A OG VAL 136.A O no hydrogen 2.450 N/A LEU 142.A N TYR 138.A O no hydrogen 3.287 N/A SER 144.A OG ALA 140.A O no hydrogen 2.912 N/A PHE 146.A N LEU 142.A O no hydrogen 3.043 N/A ALA 147.A N ALA 143.A O no hydrogen 2.683 N/A VAL 148.A N SER 144.A O no hydrogen 3.021 N/A PHE 149.A N PHE 146.A O no hydrogen 3.049 N/A LEU 150.A N PHE 146.A O no hydrogen 2.647 N/A ILE 151.A N PHE 146.A O no hydrogen 3.218 N/A TYR 152.A N ALA 147.A O no hydrogen 3.342 N/A TYR 152.A OH HIS 181.A NE2 no hydrogen 2.590 N/A ILE 154.A N LEU 150.A O no hydrogen 2.964 N/A GLY 155.A N ILE 151.A O no hydrogen 2.717 N/A GLN 156.A N TYR 152.A O no hydrogen 2.813 N/A GLN 156.A NE2 ALA 285.A O no hydrogen 3.292 N/A SER 160.A OG SER 76.A O no hydrogen 3.523 N/A SER 160.A OG ASN 78.A OD1 no hydrogen 2.465 N/A SER 168.A N ILE 69.A O no hydrogen 3.139 N/A SER 168.A OG ILE 69.A O no hydrogen 3.207 N/A THR 170.A N GLY 166.A O no hydrogen 3.146 N/A THR 170.A N ILE 167.A O no hydrogen 3.043 N/A THR 170.A OG1 GLY 166.A O no hydrogen 3.349 N/A ASN 172.A N SER 168.A O no hydrogen 3.009 N/A PHE 173.A N GLY 169.A O no hydrogen 2.652 N/A MET 174.A N THR 170.A O no hydrogen 2.673 N/A ILE 175.A N PHE 171.A O no hydrogen 2.693 N/A VAL 176.A N ASN 172.A O no hydrogen 2.968 N/A PHE 177.A N PHE 173.A O no hydrogen 3.276 N/A GLN 178.A N MET 174.A O no hydrogen 2.967 N/A GLN 178.A NE2 ASN 182.A OD1 no hydrogen 3.198 N/A GLN 178.A NE2 ASN 316.A OD1 no hydrogen 2.973 N/A ALA 179.A N ILE 175.A O no hydrogen 3.146 N/A ALA 179.A N VAL 176.A O no hydrogen 2.643 N/A GLU 180.A N PHE 177.A O no hydrogen 2.556 N/A HIS 181.A N PHE 177.A O no hydrogen 2.833 N/A ILE 183.A N HIS 181.A O no hydrogen 2.360 N/A MET 185.A N ASN 182.A O no hydrogen 3.096 N/A GLN 190.A N HIS 186.A O no hydrogen 3.253 N/A GLN 190.A NE2 PRO 187.A O no hydrogen 3.166 N/A GLY 192.A N HIS 189.A O no hydrogen 3.074 N/A VAL 193.A N HIS 189.A O no hydrogen 3.200 N/A ALA 194.A N GLN 190.A O no hydrogen 2.253 N/A VAL 196.A N GLY 192.A O no hydrogen 2.609 N/A PHE 197.A N VAL 193.A O no hydrogen 2.342 N/A GLY 198.A N GLY 195.A O no hydrogen 2.383 N/A GLY 199.A N GLY 195.A O no hydrogen 2.494 N/A ALA 200.A N VAL 196.A O no hydrogen 3.151 N/A PHE 202.A N GLY 198.A O no hydrogen 2.469 N/A CYS 203.A N GLY 199.A O no hydrogen 2.477 N/A MET 205.A N PHE 202.A O no hydrogen 2.579 N/A GLY 207.A N CYS 203.A O no hydrogen 3.315 N/A SER 208.A N ALA 204.A O no hydrogen 2.843 N/A LEU 209.A N MET 205.A O no hydrogen 2.573 N/A VAL 210.A N HIS 206.A O no hydrogen 3.155 N/A THR 211.A N GLY 207.A O no hydrogen 3.286 N/A THR 211.A OG1 GLY 207.A O no hydrogen 2.598 N/A SER 212.A N SER 208.A O no hydrogen 2.665 N/A SER 213.A N VAL 210.A O no hydrogen 2.904 N/A SER 213.A OG ASN 238.A O no hydrogen 3.039 N/A THR 218.A OG1 THR 221.A OG1 no hydrogen 3.110 N/A THR 221.A OG1 THR 218.A O no hydrogen 3.098 N/A THR 221.A OG1 THR 218.A OG1 no hydrogen 3.110 N/A ASN 225.A N SER 223.A OG no hydrogen 2.923 N/A GLY 227.A N ALA 224.A O no hydrogen 3.300 N/A LYS 229.A N GLN 232.A OE1 no hydrogen 2.924 N/A GLU 234.A N GLU 234.A OE1 no hydrogen 2.475 N/A THR 236.A OG1 GLY 227.A O no hydrogen 2.326 N/A ASN 238.A N SER 213.A O no hydrogen 3.285 N/A ALA 242.A N ASN 238.A O no hydrogen 3.114 N/A ALA 242.A N ILE 239.A O no hydrogen 2.650 N/A HIS 243.A N ILE 239.A O no hydrogen 3.017 N/A GLY 244.A N VAL 240.A O no hydrogen 2.918 N/A TYR 245.A N ALA 242.A O no hydrogen 2.851 N/A GLY 247.A N HIS 243.A O no hydrogen 2.694 N/A LEU 249.A N TYR 245.A O no hydrogen 2.687 N/A LEU 249.A N PHE 246.A O no hydrogen 3.050 N/A ILE 250.A N PHE 246.A O no hydrogen 3.093 N/A ALA 254.A N PHE 251.A O no hydrogen 3.294 N/A ASN 258.A N ASN 257.A OD1 no hydrogen 2.968 N/A ARG 260.A N ASN 258.A OD1 no hydrogen 2.811 N/A SER 261.A OG ASN 258.A O no hydrogen 2.590 N/A LEU 262.A N SER 259.A O no hydrogen 3.217 N/A HIS 263.A N SER 259.A O no hydrogen 3.308 N/A HIS 263.A ND1 SER 259.A O no hydrogen 3.028 N/A PHE 264.A N ARG 260.A O no hydrogen 3.469 N/A LEU 266.A N HIS 263.A O no hydrogen 3.058 N/A ALA 267.A N PHE 264.A O no hydrogen 2.548 N/A ALA 268.A N PHE 264.A O no hydrogen 3.046 N/A TRP 269.A N PHE 265.A O no hydrogen 3.035 N/A VAL 272.A N ALA 268.A O no hydrogen 3.346 N/A GLY 273.A N ARG 270.A O no hydrogen 2.897 N/A VAL 274.A N ARG 270.A O no hydrogen 3.079 N/A TRP 275.A N VAL 271.A O no hydrogen 3.103 N/A TRP 275.A NE1 SER 139.A OG no hydrogen 2.498 N/A ALA 277.A N GLY 273.A O no hydrogen 2.775 N/A ALA 278.A N VAL 274.A O no hydrogen 3.165 N/A LEU 279.A N TRP 275.A O no hydrogen 2.700 N/A GLY 280.A N PHE 276.A O no hydrogen 2.493 N/A ILE 281.A N ALA 277.A O no hydrogen 3.032 N/A SER 282.A N ALA 278.A O no hydrogen 3.305 N/A SER 282.A OG ALA 278.A O no hydrogen 3.030 N/A THR 283.A N GLY 280.A O no hydrogen 2.802 N/A MET 284.A N GLY 280.A O no hydrogen 2.926 N/A ALA 285.A N ILE 281.A O no hydrogen 3.032 N/A PHE 286.A N THR 283.A O no hydrogen 3.051 N/A ASN 287.A N MET 284.A O no hydrogen 2.701 N/A ASN 287.A ND2 GLN 156.A OE1 no hydrogen 3.507 N/A PHE 291.A N MET 185.A O no hydrogen 2.672 N/A ASN 294.A N ASN 292.A OD1 no hydrogen 3.107 N/A HIS 295.A N ASP 310.A OD1 no hydrogen 2.597 N/A LYS 301.A N ASP 299.A OD2 no hydrogen 3.187 N/A THR 307.A OG1 PHE 293.A O no hydrogen 3.524 N/A THR 307.A OG1 ASP 310.A OD1 no hydrogen 2.789 N/A ASP 310.A N THR 307.A O no hydrogen 2.587 N/A ILE 311.A N TRP 308.A O no hydrogen 2.569 N/A ASN 313.A N ASP 310.A O no hydrogen 2.780 N/A ARG 314.A N ILE 311.A O no hydrogen 2.546 N/A ALA 315.A N ILE 311.A O no hydrogen 3.442 N/A ASN 316.A N ASN 313.A O no hydrogen 3.020 N/A ASN 316.A ND2 ASN 182.A OD1 no hydrogen 3.599 N/A LEU 317.A N ASN 313.A O no hydrogen 2.577 N/A GLY 318.A N ARG 314.A O no hydrogen 2.570 N/A GLU 320.A N ASN 316.A O no hydrogen 2.506 N/A VAL 321.A N LEU 317.A O no hydrogen 2.882 N/A MET 322.A N GLY 318.A O no hydrogen 3.462 N/A HIS 323.A N MET 319.A O no hydrogen 3.042 N/A HIS 323.A ND1 GLU 320.A O no hydrogen 2.506 N/A HIS 323.A NE2 ASP 333.A OD1 no hydrogen 3.022 N/A ASN 326.A ND2 GLU 56.A OE2 no hydrogen 3.020 N/A HIS 328.A ND1 HIS 328.A O no hydrogen 3.140 N/A ALA 335.A N ASP 333.A OD2 no hydrogen 3.060 N/A