Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3si1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N TRP 2.A O no hydrogen 2.118 N/A GLU 5.A N TRP 2.A O no hydrogen 2.567 N/A LYS 6.A NZ ASN 7.A OD1 no hydrogen 3.565 N/A ASN 7.A N GLN 4.A O no hydrogen 3.472 N/A HIS 8.A N GLU 5.A O no hydrogen 2.795 N/A HIS 9.A NE2 TYR 320.A O no hydrogen 2.619 N/A GLN 10.A NE2 HIS 8.A O no hydrogen 2.457 N/A ALA 12.A N GLU 319.A O no hydrogen 3.221 N/A SER 18.A N ASN 15.A OD1 no hydrogen 2.918 N/A SER 18.A OG ASN 15.A OD1 no hydrogen 3.006 N/A LEU 19.A N ASN 15.A O no hydrogen 2.624 N/A GLN 20.A N SER 16.A O no hydrogen 2.433 N/A GLN 21.A N SER 17.A O no hydrogen 3.358 N/A ALA 23.A N GLN 20.A O no hydrogen 2.806 N/A THR 26.A OG1 GLY 25.A O no hydrogen 2.915 N/A MET 31.A N SER 27.A O no hydrogen 2.989 N/A TRP 32.A N ILE 28.A O no hydrogen 3.231 N/A GLN 33.A N SER 29.A O no hydrogen 3.332 N/A ASN 34.A N GLU 30.A O no hydrogen 3.083 N/A ASN 34.A N MET 31.A O no hydrogen 3.257 N/A ASN 34.A ND2 GLU 30.A O no hydrogen 2.786 N/A ASP 35.A N MET 31.A O no hydrogen 3.109 N/A LEU 36.A N MET 31.A O no hydrogen 3.213 N/A ARG 37.A N TRP 32.A O no hydrogen 3.045 N/A ARG 37.A NE GLU 298.A OE2 no hydrogen 2.687 N/A ARG 37.A NH2 GLU 298.A OE1 no hydrogen 2.969 N/A ARG 37.A NH2 GLU 298.A OE2 no hydrogen 2.888 N/A LEU 39.A N LEU 36.A O no hydrogen 2.966 N/A LEU 40.A N ARG 37.A O no hydrogen 2.607 N/A ARG 43.A NH1 VAL 121.A O no hydrogen 1.977 N/A ARG 43.A NH1 GLY 122.A O no hydrogen 3.132 N/A ARG 43.A NH2 GLY 122.A O no hydrogen 2.836 N/A TYR 44.A N SER 109.A OG no hydrogen 2.776 N/A SER 47.A OG GLU 42.A O no hydrogen 3.150 N/A GLY 49.A N SER 47.A OG no hydrogen 2.655 N/A SER 50.A OG ARG 43.A O no hydrogen 3.175 N/A TYR 51.A N GLY 49.A O no hydrogen 2.397 N/A SER 52.A N PRO 48.A O no hydrogen 3.350 N/A ALA 53.A N GLY 49.A O no hydrogen 3.113 N/A GLN 55.A N TYR 51.A O no hydrogen 2.810 N/A HIS 56.A N SER 52.A O no hydrogen 3.285 N/A ILE 57.A N ALA 53.A O no hydrogen 3.316 N/A MET 58.A N ARG 54.A O no hydrogen 3.331 N/A ARG 60.A N ILE 57.A O no hydrogen 2.156 N/A GLN 62.A N MET 58.A O no hydrogen 3.194 N/A ARG 63.A N GLN 59.A O no hydrogen 2.714 N/A LEU 64.A N ILE 61.A O no hydrogen 2.480 N/A GLN 65.A NE2 GLN 65.A O no hydrogen 2.740 N/A VAL 69.A N THR 92.A O no hydrogen 2.805 N/A GLU 71.A N ILE 90.A O no hydrogen 3.300 N/A THR 74.A OG1 PHE 86.A O no hydrogen 3.339 N/A THR 74.A OG1 SER 87.A OG no hydrogen 2.243 N/A PHE 75.A N PHE 86.A O no hydrogen 2.960 N/A SER 77.A N ARG 84.A O no hydrogen 3.021 N/A ARG 78.A N SER 77.A OG no hydrogen 2.595 N/A THR 79.A N GLY 82.A O no hydrogen 2.636 N/A THR 79.A OG1 GLY 82.A O no hydrogen 2.667 N/A TYR 81.A N THR 79.A OG1 no hydrogen 3.058 N/A GLY 82.A N THR 79.A O no hydrogen 2.587 N/A ARG 84.A NH1 TYR 81.A O no hydrogen 2.636 N/A SER 85.A OG PHE 75.A O no hydrogen 2.988 N/A PHE 86.A N PHE 75.A O no hydrogen 2.655 N/A SER 87.A N ASP 161.A OD2 no hydrogen 2.816 N/A SER 87.A OG THR 74.A OG1 no hydrogen 2.243 N/A ILE 89.A N PHE 159.A O no hydrogen 2.904 N/A ILE 90.A N GLU 71.A O no hydrogen 2.857 N/A THR 92.A OG1 ILE 90.A O no hydrogen 3.421 N/A LEU 93.A N LEU 155.A O no hydrogen 2.941 N/A ARG 99.A NE ASP 204.A OD1 no hydrogen 3.206 N/A ARG 99.A NE ASP 204.A OD2 no hydrogen 3.422 N/A HIS 100.A N GLY 202.A O no hydrogen 2.638 N/A HIS 100.A NE2 ASN 94.A O no hydrogen 2.922 N/A LEU 101.A N SER 154.A O no hydrogen 2.704 N/A LEU 103.A N ARG 156.A O no hydrogen 3.163 N/A ALA 104.A N VAL 207.A O no hydrogen 3.219 N/A TYR 107.A N PHE 160.A O no hydrogen 2.580 N/A TYR 107.A OH SER 87.A O no hydrogen 2.800 N/A SER 109.A OG LYS 110.A O no hydrogen 3.197 N/A LYS 110.A NZ ALA 165.A O no hydrogen 2.561 N/A ARG 114.A NH1 GLU 42.A OE2 no hydrogen 3.146 N/A ALA 123.A N ASP 296.A O no hydrogen 2.837 N/A THR 124.A OG1 ASP 296.A OD1 no hydrogen 3.002 N/A THR 124.A OG1 ASP 296.A OD2 no hydrogen 3.257 N/A SER 126.A OG THR 124.A O no hydrogen 2.100 N/A SER 126.A OG ASP 210.A OD1 no hydrogen 2.659 N/A ALA 127.A N ALA 123.A O no hydrogen 3.014 N/A VAL 128.A N ALA 123.A O no hydrogen 2.931 N/A CYS 130.A SG HIS 106.A O no hydrogen 3.820 N/A CYS 130.A SG SER 126.A O no hydrogen 3.762 N/A ALA 131.A N ALA 127.A O no hydrogen 2.768 N/A MET 132.A N VAL 128.A O no hydrogen 3.226 N/A MET 132.A N PRO 129.A O no hydrogen 2.563 N/A LEU 134.A N CYS 130.A O no hydrogen 2.733 N/A GLU 135.A N ALA 131.A O no hydrogen 2.926 N/A LEU 136.A N MET 132.A O no hydrogen 2.295 N/A ALA 137.A N LEU 134.A O no hydrogen 3.426 N/A ARG 138.A N LEU 134.A O no hydrogen 3.208 N/A ARG 138.A NE GLU 135.A OE1 no hydrogen 2.953 N/A ARG 138.A NE GLU 135.A OE2 no hydrogen 3.223 N/A ARG 138.A NH2 GLU 135.A OE1 no hydrogen 3.092 N/A ARG 138.A NH2 GLU 135.A OE2 no hydrogen 2.645 N/A ALA 139.A N GLU 135.A O no hydrogen 2.697 N/A LEU 144.A N ASP 141.A O no hydrogen 2.677 N/A HIS 145.A N ASP 141.A O no hydrogen 3.234 N/A SER 146.A N LYS 142.A O no hydrogen 2.567 N/A SER 146.A OG LYS 142.A O no hydrogen 3.337 N/A SER 146.A OG LYS 143.A O no hydrogen 2.925 N/A SER 146.A OG SER 146.A O no hydrogen 2.636 N/A ASP 149.A N LEU 147.A O no hydrogen 3.157 N/A SER 154.A N ARG 99.A O no hydrogen 3.072 N/A SER 154.A OG LEU 93.A O no hydrogen 3.433 N/A ARG 156.A N LEU 101.A O no hydrogen 2.874 N/A LEU 157.A N SER 91.A O no hydrogen 2.976 N/A ILE 158.A N LEU 103.A O no hydrogen 3.091 N/A PHE 159.A N ILE 89.A O no hydrogen 3.031 N/A PHE 160.A N CYS 105.A O no hydrogen 2.976 N/A ASP 161.A N ASN 88.A OD1 no hydrogen 3.005 N/A GLY 162.A N ASP 108.A OD2 no hydrogen 2.908 N/A GLU 163.A N ASP 108.A OD2 no hydrogen 2.852 N/A PHE 166.A N ASP 173.A OD1 no hydrogen 3.277 N/A HIS 168.A N ASP 173.A OD2 no hydrogen 3.271 N/A SER 170.A N ASP 173.A O no hydrogen 3.319 N/A GLN 172.A N SER 170.A OG no hydrogen 2.780 N/A ASP 173.A N SER 170.A OG no hydrogen 2.431 N/A SER 174.A OG SER 170.A O no hydrogen 2.747 N/A LEU 175.A N GLU 163.A O no hydrogen 3.274 N/A TYR 176.A OH ARG 78.A O no hydrogen 3.429 N/A TYR 176.A OH ASP 173.A OD1 no hydrogen 2.399 N/A SER 178.A OG LEU 175.A O no hydrogen 2.670 N/A SER 178.A OG ASP 268.A OD1 no hydrogen 2.833 N/A HIS 180.A N TYR 176.A O no hydrogen 3.305 N/A LEU 181.A N GLY 177.A O no hydrogen 3.024 N/A LEU 181.A N SER 178.A O no hydrogen 2.755 N/A ALA 182.A N SER 178.A O no hydrogen 3.184 N/A LYS 184.A N LEU 181.A O no hydrogen 3.052 N/A LYS 184.A NZ ASP 73.A OD1 no hydrogen 3.197 N/A MET 185.A N LEU 181.A O no hydrogen 2.455 N/A ALA 186.A N ALA 182.A O no hydrogen 2.540 N/A SER 187.A N GLN 183.A O no hydrogen 3.396 N/A SER 187.A OG GLN 183.A O no hydrogen 3.010 N/A SER 188.A N LYS 184.A O no hydrogen 3.351 N/A SER 188.A OG LYS 184.A O no hydrogen 3.154 N/A SER 194.A N PRO 191.A O no hydrogen 2.697 N/A SER 194.A OG THR 197.A OG1 no hydrogen 3.368 N/A THR 197.A N SER 194.A O no hydrogen 3.375 N/A THR 197.A OG1 HIS 190.A O no hydrogen 2.949 N/A GLN 199.A N MET 185.A O no hydrogen 3.085 N/A GLN 199.A N SER 188.A O no hydrogen 2.668 N/A LEU 200.A N ASN 198.A OD1 no hydrogen 2.431 N/A ASP 204.A N HIS 100.A O no hydrogen 2.753 N/A VAL 207.A N VAL 102.A O no hydrogen 3.361 N/A LEU 208.A N LEU 280.A O no hydrogen 3.251 N/A ASP 210.A N LEU 282.A O no hydrogen 3.054 N/A THR 218.A OG1 SER 285.A O no hydrogen 2.770 N/A PHE 219.A N TYR 255.A O no hydrogen 2.714 N/A ASN 221.A ND2 ASN 258.A OD1 no hydrogen 3.070 N/A LYS 225.A NZ GLY 276.A O no hydrogen 2.887 N/A THR 226.A N PHE 223.A O no hydrogen 2.725 N/A THR 226.A OG1 PHE 223.A O no hydrogen 2.939 N/A THR 226.A OG1 VAL 279.A O no hydrogen 3.166 N/A THR 227.A N PRO 224.A O no hydrogen 3.058 N/A PHE 230.A N THR 226.A O no hydrogen 2.867 N/A ASN 231.A N THR 227.A O no hydrogen 2.650 N/A ARG 232.A N TRP 229.A O no hydrogen 2.151 N/A LEU 233.A N PHE 230.A O no hydrogen 2.689 N/A GLN 234.A N PHE 230.A O no hydrogen 2.893 N/A ALA 235.A N ASN 231.A O no hydrogen 2.868 N/A ILE 236.A N ARG 232.A O no hydrogen 2.518 N/A GLU 237.A N LEU 233.A O no hydrogen 3.419 N/A LYS 238.A N ALA 235.A O no hydrogen 3.141 N/A LYS 238.A NZ GLU 242.A OE2 no hydrogen 2.293 N/A GLU 239.A N ALA 235.A O no hydrogen 3.294 N/A GLU 242.A N LYS 238.A O no hydrogen 3.146 N/A GLY 244.A N LEU 240.A O no hydrogen 3.018 N/A GLY 244.A N TYR 241.A O no hydrogen 2.773 N/A LEU 245.A N LEU 240.A O no hydrogen 3.388 N/A LYS 247.A N ASN 308.A OD1 no hydrogen 3.252 N/A HIS 249.A NE2 GLU 237.A OE2 no hydrogen 2.791 N/A TYR 261.A N PHE 259.A O no hydrogen 2.900 N/A ILE 265.A N ASN 263.A O no hydrogen 3.007 N/A ASP 268.A N ASP 267.A OD1 no hydrogen 2.637 N/A PHE 272.A N HIS 269.A O no hydrogen 2.786 N/A LYS 275.A N PHE 272.A O no hydrogen 2.476 N/A LEU 280.A N LEU 206.A O no hydrogen 2.780 N/A LEU 282.A N LEU 208.A O no hydrogen 3.331 N/A SER 285.A N THR 218.A O no hydrogen 2.739 N/A TRP 291.A N PRO 288.A O no hydrogen 2.831 N/A TRP 291.A NE1 ASP 125.A OD2 no hydrogen 2.659 N/A THR 293.A N VAL 290.A O no hydrogen 2.870 N/A THR 293.A OG1 VAL 290.A O no hydrogen 2.807 N/A ASP 296.A N THR 293.A O no hydrogen 3.261 N/A ASN 297.A ND2 GLU 299.A OE1 no hydrogen 2.675 N/A SER 304.A OG ASP 248.A OD1 no hydrogen 2.236 N/A THR 305.A OG1 ALA 214.A O no hydrogen 3.316 N/A THR 305.A OG1 HIS 302.A O no hydrogen 2.616 N/A ASN 308.A N SER 304.A O no hydrogen 3.199 N/A ASN 308.A ND2 THR 305.A O no hydrogen 3.396 N/A LEU 309.A N THR 305.A O no hydrogen 2.931 N/A ASN 310.A N ASP 307.A O no hydrogen 1.831 N/A LYS 311.A N ASP 307.A O no hydrogen 3.034 N/A LYS 311.A NZ ALA 23.A O no hydrogen 2.767 N/A LYS 311.A NZ ASP 307.A OD1 no hydrogen 3.346 N/A GLN 314.A N LYS 311.A O no hydrogen 2.437 N/A GLN 314.A NE2 THR 26.A OG1 no hydrogen 3.286 N/A GLN 314.A NE2 ASN 310.A O no hydrogen 2.533 N/A VAL 315.A N ILE 312.A O no hydrogen 3.044 N/A PHE 316.A N ILE 312.A O no hydrogen 3.065 N/A LEU 321.A N VAL 317.A O no hydrogen 3.356 N/A HIS 322.A NE2 GLN 10.A O no hydrogen 2.939 N/A LEU 323.A N LEU 321.A O no hydrogen 2.162 N/A