Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1k39_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 7.A NZ GLU 31.A OE1 no hydrogen 3.258 N/A LYS 7.A NZ ASP 34.A OD1 no hydrogen 3.102 N/A LYS 7.A NZ ASP 34.A OD2 no hydrogen 2.718 N/A SER 9.A N HIS 20.A O no hydrogen 2.801 N/A ARG 11.A N ILE 18.A O no hydrogen 3.046 N/A ARG 11.A NH1 GLU 13.A OE2 no hydrogen 2.533 N/A ARG 11.A NH2 GLN 57.A OE1 no hydrogen 3.570 N/A GLU 13.A N PHE 16.A O no hydrogen 2.814 N/A PHE 16.A N GLU 13.A O no hydrogen 2.852 N/A PHE 17.A N PHE 53.A O no hydrogen 2.724 N/A ILE 18.A N ARG 11.A O no hydrogen 2.764 N/A ILE 19.A N ILE 55.A O no hydrogen 2.757 N/A HIS 20.A N SER 9.A O no hydrogen 2.740 N/A HIS 20.A ND1 LEU 21.A O no hydrogen 3.063 N/A LEU 21.A N GLN 57.A O no hydrogen 2.607 N/A ILE 22.A N LYS 7.A O no hydrogen 2.942 N/A ASN 23.A N ASN 28.A OD1 no hydrogen 3.009 N/A LEU 27.A N PRO 24.A O no hydrogen 2.611 N/A ASN 28.A N ASN 23.A O no hydrogen 2.630 N/A ASN 28.A ND2 SER 59.A OG no hydrogen 2.857 N/A LEU 30.A N GLY 66.A O no hydrogen 2.811 N/A GLU 31.A N ASP 34.A OD2 no hydrogen 2.888 N/A TYR 35.A N GLU 31.A O no hydrogen 3.126 N/A TYR 35.A OH SER 124.A OG no hydrogen 3.167 N/A ILE 36.A N GLY 32.A O no hydrogen 3.046 N/A TYR 37.A N GLU 33.A O no hydrogen 2.756 N/A TYR 37.A OH ARG 3.A O no hydrogen 2.524 N/A LEU 38.A N ASP 34.A O no hydrogen 2.797 N/A GLY 39.A N TYR 35.A O no hydrogen 3.023 N/A GLU 40.A N ILE 36.A O no hydrogen 2.731 N/A LEU 41.A N TYR 37.A O no hydrogen 2.839 N/A LEU 42.A N LEU 38.A O no hydrogen 2.952 N/A GLU 43.A N GLY 39.A O no hydrogen 3.121 N/A LEU 44.A N GLU 40.A O no hydrogen 3.091 N/A ALA 45.A N LEU 41.A O no hydrogen 2.884 N/A ASP 46.A N LEU 42.A O no hydrogen 2.872 N/A ARG 47.A N GLU 43.A O no hydrogen 2.898 N/A ARG 47.A N LEU 44.A O no hydrogen 3.228 N/A ASN 48.A N LEU 44.A O no hydrogen 3.168 N/A ASN 48.A N ALA 45.A O no hydrogen 3.299 N/A ASP 50.A N ASN 48.A OD1 no hydrogen 2.689 N/A VAL 51.A N ASN 48.A O no hydrogen 3.184 N/A TYR 52.A N PRO 15.A O no hydrogen 2.777 N/A PHE 53.A N PRO 15.A O no hydrogen 3.145 N/A THR 54.A N VAL 111.A O no hydrogen 2.889 N/A ILE 55.A N PHE 17.A O no hydrogen 2.701 N/A ILE 56.A N ILE 113.A O no hydrogen 2.819 N/A GLN 57.A N ILE 19.A O no hydrogen 2.634 N/A GLN 57.A NE2 ASN 207.A O no hydrogen 2.670 N/A SER 58.A OG PHE 62.A O no hydrogen 3.498 N/A SER 58.A OG PHE 63.A O no hydrogen 2.713 N/A SER 59.A N SER 58.A OG no hydrogen 2.576 N/A SER 59.A OG LEU 21.A O no hydrogen 2.715 N/A PHE 63.A N PRO 119.A O no hydrogen 2.690 N/A SER 64.A N PRO 119.A O no hydrogen 3.465 N/A SER 64.A OG ASN 28.A O no hydrogen 2.709 N/A SER 64.A OG SER 124.A OG no hydrogen 2.544 N/A SER 65.A N LEU 27.A O no hydrogen 3.301 N/A SER 65.A OG LEU 27.A O no hydrogen 3.538 N/A GLY 66.A N SER 64.A OG no hydrogen 3.144 N/A ASP 68.A N LEU 30.A O no hydrogen 3.032 N/A LYS 70.A N ASP 68.A OD1 no hydrogen 3.122 N/A ILE 72.A N ASP 68.A O no hydrogen 3.119 N/A ALA 73.A N PHE 69.A O no hydrogen 2.962 N/A LYS 74.A N LYS 70.A O no hydrogen 3.083 N/A ALA 75.A N ILE 72.A O no hydrogen 3.265 N/A THR 80.A OG1 GLN 76.A O no hydrogen 3.405 N/A SER 88.A N SER 85.A OG no hydrogen 2.919 N/A LYS 89.A N SER 85.A O no hydrogen 2.969 N/A LYS 89.A NZ GLU 86.A OE1 no hydrogen 3.041 N/A LYS 89.A NZ GLU 86.A OE2 no hydrogen 2.964 N/A TRP 90.A N GLU 86.A O no hydrogen 2.773 N/A VAL 91.A N THR 87.A O no hydrogen 3.091 N/A SER 92.A N SER 88.A O no hydrogen 3.067 N/A ASN 93.A N LYS 89.A O no hydrogen 2.929 N/A PHE 94.A N TRP 90.A O no hydrogen 2.807 N/A VAL 95.A N TRP 90.A O no hydrogen 2.932 N/A ALA 96.A N VAL 91.A O no hydrogen 2.944 N/A ASN 98.A N PHE 94.A O no hydrogen 3.064 N/A ASN 98.A ND2 GLU 155.A OE1 no hydrogen 3.181 N/A VAL 99.A N VAL 95.A O no hydrogen 2.986 N/A TYR 100.A N ALA 96.A O no hydrogen 3.049 N/A VAL 101.A N ARG 97.A O no hydrogen 3.052 N/A THR 102.A N ASN 98.A O no hydrogen 3.238 N/A THR 102.A OG1 ASN 98.A O no hydrogen 2.886 N/A ASP 103.A N VAL 99.A O no hydrogen 2.796 N/A ALA 104.A N TYR 100.A O no hydrogen 2.863 N/A PHE 105.A N VAL 101.A O no hydrogen 2.966 N/A ILE 106.A N THR 102.A O no hydrogen 2.921 N/A LYS 107.A N ASP 103.A O no hydrogen 2.932 N/A LYS 107.A NZ ASP 103.A OD1 no hydrogen 3.492 N/A LYS 107.A NZ ASP 103.A OD2 no hydrogen 2.882 N/A HIS 108.A N PHE 105.A O no hydrogen 3.293 N/A HIS 108.A ND1 LYS 110.A O no hydrogen 3.098 N/A SER 109.A N ASP 46.A OD2 no hydrogen 2.769 N/A SER 109.A OG ASP 46.A OD2 no hydrogen 2.416 N/A LYS 110.A NZ ASP 46.A O no hydrogen 3.193 N/A LYS 110.A NZ ASN 48.A O no hydrogen 2.644 N/A LYS 110.A NZ VAL 51.A O no hydrogen 3.002 N/A VAL 111.A N TYR 52.A O no hydrogen 3.303 N/A LEU 112.A N ASP 132.A OD2 no hydrogen 2.627 N/A ILE 113.A N THR 54.A O no hydrogen 2.990 N/A CYS 114.A N ILE 133.A O no hydrogen 2.723 N/A CYS 115.A N ILE 56.A O no hydrogen 3.016 N/A LEU 116.A N TYR 135.A O no hydrogen 2.864 N/A ASN 117.A ND2 GLY 60.A O no hydrogen 3.178 N/A ASN 117.A ND2 PHE 62.A O no hydrogen 2.682 N/A ALA 120.A N TYR 142.A O no hydrogen 2.982 N/A ILE 121.A N SER 64.A O no hydrogen 2.979 N/A GLY 122.A N LEU 144.A O no hydrogen 3.013 N/A SER 124.A OG TYR 35.A OH no hydrogen 3.167 N/A SER 124.A OG SER 64.A OG no hydrogen 2.544 N/A ALA 125.A N ILE 121.A O no hydrogen 3.034 N/A ALA 126.A N GLY 122.A O no hydrogen 2.869 N/A LEU 127.A N LEU 123.A O no hydrogen 2.891 N/A VAL 128.A N SER 124.A O no hydrogen 2.765 N/A ALA 129.A N ALA 125.A O no hydrogen 3.034 N/A LEU 130.A N LEU 127.A O no hydrogen 2.768 N/A CYS 131.A N VAL 128.A O no hydrogen 3.043 N/A CYS 131.A SG LEU 127.A O no hydrogen 3.345 N/A CYS 131.A SG VAL 128.A O no hydrogen 3.291 N/A ASP 132.A N LEU 112.A O no hydrogen 2.886 N/A ILE 133.A N LEU 112.A O no hydrogen 3.059 N/A TYR 135.A N CYS 114.A O no hydrogen 3.029 N/A SER 136.A N LYS 194.A O no hydrogen 2.994 N/A ILE 137.A N LEU 116.A O no hydrogen 2.802 N/A ASN 138.A ND2 MET 198.A O no hydrogen 2.926 N/A ASN 138.A ND2 SER 200.A OG no hydrogen 2.777 N/A LYS 140.A N ASN 138.A OD1 no hydrogen 3.206 N/A LEU 143.A N PHE 181.A O no hydrogen 3.032 N/A LEU 144.A N ALA 120.A O no hydrogen 3.148 N/A TYR 145.A OH ALA 125.A O no hydrogen 2.796 N/A PHE 147.A N TYR 145.A O no hydrogen 2.890 N/A ASN 149.A N PRO 146.A O no hydrogen 3.203 N/A LEU 150.A N PRO 146.A O no hydrogen 3.093 N/A LEU 150.A N PHE 147.A O no hydrogen 3.094 N/A LEU 152.A N PHE 147.A O no hydrogen 2.952 N/A THR 154.A OG1 THR 159.A OG1 no hydrogen 2.574 N/A GLY 157.A N GLU 248.A OE1 no hydrogen 2.652 N/A THR 158.A N GLU 155.A O no hydrogen 3.179 N/A THR 158.A OG1 GLU 155.A O no hydrogen 2.726 N/A THR 159.A N GLU 248.A OE2 no hydrogen 3.043 N/A THR 159.A OG1 THR 154.A OG1 no hydrogen 2.574 N/A THR 159.A OG1 GLU 248.A OE2 no hydrogen 2.636 N/A VAL 160.A N GLY 157.A O no hydrogen 3.032 N/A SER 161.A N GLY 157.A O no hydrogen 2.687 N/A SER 161.A OG GLY 157.A O no hydrogen 3.113 N/A LEU 162.A N THR 158.A O no hydrogen 2.940 N/A LEU 164.A N VAL 160.A O no hydrogen 3.080 N/A LYS 165.A N SER 161.A O no hydrogen 2.721 N/A LYS 165.A N LEU 162.A O no hydrogen 3.052 N/A LYS 165.A NZ ALA 129.A O no hydrogen 3.150 N/A PHE 166.A N LEU 162.A O no hydrogen 2.701 N/A GLY 167.A N PRO 163.A O no hydrogen 2.867 N/A THR 171.A N GLY 167.A O no hydrogen 3.102 N/A THR 171.A OG1 GLY 167.A O no hydrogen 3.186 N/A TYR 172.A N THR 168.A O no hydrogen 3.058 N/A GLU 173.A N ASN 169.A O no hydrogen 3.282 N/A CYS 174.A N THR 170.A O no hydrogen 3.213 N/A CYS 174.A SG LYS 179.A O no hydrogen 3.662 N/A CYS 174.A SG PRO 180.A O no hydrogen 3.454 N/A LEU 175.A N THR 171.A O no hydrogen 2.763 N/A MET 176.A N TYR 172.A O no hydrogen 2.808 N/A PHE 177.A N CYS 174.A O no hydrogen 3.267 N/A LYS 179.A N CYS 174.A O no hydrogen 3.017 N/A LYS 179.A NZ GLU 173.A OE2 no hydrogen 2.780 N/A PHE 181.A N LEU 143.A O no hydrogen 2.644 N/A ILE 185.A N LYS 182.A O no hydrogen 2.894 N/A MET 186.A N LYS 182.A O no hydrogen 3.164 N/A CYS 187.A N TYR 183.A O no hydrogen 2.946 N/A CYS 187.A SG TYR 183.A OH no hydrogen 3.515 N/A GLU 188.A N ASP 184.A O no hydrogen 3.083 N/A ASN 189.A N ILE 185.A O no hydrogen 3.200 N/A ASN 189.A N MET 186.A O no hydrogen 3.172 N/A ASN 189.A ND2 ILE 185.A O no hydrogen 3.212 N/A GLY 190.A N CYS 187.A O no hydrogen 2.790 N/A PHE 191.A N MET 186.A O no hydrogen 2.840 N/A SER 193.A N VAL 134.A O no hydrogen 2.837 N/A LYS 194.A NZ GLU 213.A OE2 no hydrogen 2.742 N/A ASN 195.A ND2 SER 136.A O no hydrogen 3.053 N/A ASN 195.A ND2 SER 136.A OG no hydrogen 2.671 N/A PHE 196.A N SER 136.A O no hydrogen 2.887 N/A ASN 197.A N ASN 195.A OD1 no hydrogen 3.199 N/A MET 198.A N ILE 137.A O no hydrogen 2.976 N/A SER 201.A OG ASN 202.A OD1 no hydrogen 2.777 N/A ASN 202.A N PRO 199.A O no hydrogen 2.935 N/A ALA 203.A N SER 201.A O no hydrogen 2.804 N/A PHE 206.A N ASN 202.A O no hydrogen 3.092 N/A ASN 207.A N ALA 203.A O no hydrogen 2.751 N/A ASN 207.A ND2 SER 58.A O no hydrogen 2.768 N/A ALA 208.A N GLU 204.A O no hydrogen 3.281 N/A LYS 209.A N ALA 205.A O no hydrogen 3.389 N/A VAL 210.A N PHE 206.A O no hydrogen 3.173 N/A LEU 211.A N ASN 207.A O no hydrogen 3.524 N/A GLU 212.A N ALA 208.A O no hydrogen 2.688 N/A GLU 213.A N LYS 209.A O no hydrogen 2.694 N/A LEU 214.A N VAL 210.A O no hydrogen 2.876 N/A ARG 215.A N LEU 211.A O no hydrogen 3.179 N/A GLU 216.A N GLU 213.A O no hydrogen 3.187 N/A LYS 217.A N GLU 213.A O no hydrogen 2.997 N/A LYS 217.A NZ TYR 135.A OH no hydrogen 3.024 N/A VAL 218.A N LEU 214.A O no hydrogen 2.909 N/A SER 225.A N TYR 222.A O no hydrogen 2.783 N/A CYS 226.A N LEU 223.A O no hydrogen 2.797 N/A LEU 227.A N LEU 223.A O no hydrogen 3.361 N/A GLY 228.A N PRO 224.A O no hydrogen 2.780 N/A MET 229.A N SER 225.A O no hydrogen 2.864 N/A LYS 230.A N CYS 226.A O no hydrogen 2.843 N/A LYS 230.A NZ HIS 108.A O no hydrogen 3.092 N/A LYS 230.A NZ LYS 110.A O no hydrogen 2.590 N/A LYS 230.A NZ ASP 132.A OD1 no hydrogen 3.547 N/A LYS 230.A NZ ASP 132.A OD2 no hydrogen 2.819 N/A LYS 231.A N LEU 227.A O no hydrogen 2.952 N/A LEU 233.A N MET 229.A O no hydrogen 2.801 N/A LYS 234.A N LYS 230.A O no hydrogen 2.701 N/A LYS 234.A NZ ILE 106.A O no hydrogen 2.601 N/A LYS 234.A NZ HIS 108.A O no hydrogen 3.066 N/A SER 235.A N LEU 232.A O no hydrogen 2.982 N/A SER 235.A OG LEU 232.A O no hydrogen 2.720 N/A ASN 236.A N LEU 233.A O no hydrogen 3.470 N/A HIS 237.A N LYS 234.A O no hydrogen 3.338 N/A ILE 238.A N LYS 234.A O no hydrogen 3.198 N/A PHE 241.A N HIS 237.A O no hydrogen 2.910 N/A ASN 242.A N ILE 238.A O no hydrogen 2.793 N/A LYS 243.A N ASP 239.A O no hydrogen 2.757 N/A ALA 244.A N ALA 240.A O no hydrogen 2.780 N/A ASN 245.A N PHE 241.A O no hydrogen 2.684 N/A ASN 245.A ND2 VAL 99.A O no hydrogen 3.157 N/A SER 246.A N ASN 242.A O no hydrogen 3.435 N/A VAL 247.A N LYS 243.A O no hydrogen 3.320 N/A GLU 248.A N ALA 244.A O no hydrogen 2.760 N/A VAL 249.A N ASN 245.A O no hydrogen 2.996 N/A ASN 250.A N VAL 247.A O no hydrogen 3.193 N/A ASN 250.A ND2 SER 246.A O no hydrogen 2.983 N/A GLU 251.A N VAL 247.A O no hydrogen 2.937 N/A SER 252.A N GLU 248.A O no hydrogen 2.998 N/A LYS 254.A NZ GLU 251.A OE2 no hydrogen 3.476 N/A TYR 255.A N SER 252.A O no hydrogen 2.750 N/A TRP 256.A N SER 252.A O no hydrogen 3.441 N/A VAL 257.A N LEU 253.A O no hydrogen 3.221 N/A ASP 258.A N LYS 254.A O no hydrogen 3.010 N/A GLY 259.A N TYR 255.A O no hydrogen 3.187 N/A GLU 260.A N ASP 258.A OD2 no hydrogen 2.919 N/A LYS 263.A N GLY 259.A O no hydrogen 3.416 N/A ARG 264.A N GLU 260.A O no hydrogen 2.937 N/A ARG 264.A NE GLU 260.A OE2 no hydrogen 2.687 N/A ARG 264.A NH1 ASN 149.A O no hydrogen 2.990 N/A PHE 265.A N PRO 261.A O no hydrogen 2.554 N/A ARG 266.A N LEU 262.A O no hydrogen 3.087 N/A GLN 267.A N ARG 264.A O no hydrogen 2.994 N/A