Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kl8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 HIS 14.A NE2 no hydrogen 3.222 N/A ASP 4.A N VAL 13.A O no hydrogen 3.126 N/A LYS 6.A N ARG 11.A O no hydrogen 3.354 N/A LYS 6.A NZ ASP 4.A OD2 no hydrogen 3.076 N/A GLU 7.A N GLU 7.A OE1 no hydrogen 2.634 N/A ARG 10.A N ALA 23.A O no hydrogen 3.240 N/A ARG 11.A N GLU 7.A O no hydrogen 3.005 N/A ARG 11.A NE GLU 7.A OE1 no hydrogen 3.390 N/A ARG 11.A NH2 GLU 7.A OE1 no hydrogen 3.253 N/A VAL 13.A N ASP 4.A O no hydrogen 3.194 N/A HIS 14.A ND1 THR 17.A OG1 no hydrogen 2.841 N/A THR 17.A N HIS 14.A ND1 no hydrogen 3.277 N/A THR 17.A OG1 HIS 14.A ND1 no hydrogen 2.841 N/A PHE 21.A N CYS 12.A O no hydrogen 2.783 N/A ALA 22.A N PHE 71.A O no hydrogen 3.009 N/A ALA 23.A N ARG 10.A O no hydrogen 2.864 N/A LYS 24.A N LEU 69.A O no hydrogen 2.889 N/A ILE 26.A N HIS 67.A O no hydrogen 2.879 N/A THR 28.A OG1 SER 65.A O no hydrogen 2.590 N/A SER 32.A OG ASP 35.A OD2 no hydrogen 3.291 N/A PHE 36.A N SER 32.A O no hydrogen 2.769 N/A GLN 37.A N ALA 33.A O no hydrogen 3.183 N/A LYS 38.A N ASP 35.A O no hydrogen 3.226 N/A LEU 39.A N PHE 36.A O no hydrogen 2.910 N/A GLU 40.A N PHE 36.A O no hydrogen 2.940 N/A ARG 41.A NH1 ALA 142.A O no hydrogen 2.858 N/A ARG 41.A NH2 GLY 140.A O no hydrogen 3.320 N/A GLU 42.A N LYS 38.A O no hydrogen 3.245 N/A ALA 43.A N LEU 39.A O no hydrogen 2.768 N/A ARG 44.A N GLU 40.A O no hydrogen 3.134 N/A ILE 45.A N ARG 41.A O no hydrogen 3.422 N/A CYS 46.A SG GLU 42.A O no hydrogen 3.447 N/A ARG 47.A N ARG 44.A O no hydrogen 3.213 N/A LYS 48.A N ILE 45.A O no hydrogen 2.732 N/A LYS 48.A NZ GLU 144.A OE1 no hydrogen 2.777 N/A LEU 49.A N CYS 46.A O no hydrogen 3.356 N/A GLN 50.A N TYR 107.A OH no hydrogen 3.208 N/A GLN 50.A NE2 ARG 47.A O no hydrogen 3.579 N/A GLN 50.A NE2 LEU 57.A O no hydrogen 2.954 N/A ASN 53.A N HIS 51.A ND1 no hydrogen 3.046 N/A ASN 53.A ND2 VAL 134.A O no hydrogen 3.447 N/A ILE 54.A N HIS 51.A O no hydrogen 2.760 N/A VAL 55.A N LEU 136.A O no hydrogen 3.164 N/A ARG 56.A N ASP 72.A OD1 no hydrogen 3.414 N/A HIS 58.A N VAL 70.A O no hydrogen 2.793 N/A HIS 58.A NE2 ASP 72.A OD2 no hydrogen 2.628 N/A SER 60.A N ASP 59.A OD1 no hydrogen 2.688 N/A SER 60.A OG HIS 67.A NE2 no hydrogen 3.087 N/A ILE 61.A N TYR 68.A O no hydrogen 2.917 N/A GLN 62.A NE2 GLU 64.A O no hydrogen 3.355 N/A GLU 63.A N PHE 66.A O no hydrogen 3.178 N/A HIS 67.A N ILE 26.A O no hydrogen 2.894 N/A HIS 67.A ND1 GLN 62.A OE1 no hydrogen 2.587 N/A HIS 67.A NE2 SER 60.A OG no hydrogen 3.087 N/A TYR 68.A N ILE 61.A O no hydrogen 2.792 N/A LEU 69.A N LYS 24.A O no hydrogen 2.855 N/A VAL 70.A N ASP 59.A O no hydrogen 2.886 N/A PHE 71.A N ALA 22.A O no hydrogen 2.634 N/A ASP 72.A N ARG 56.A O no hydrogen 3.004 N/A THR 75.A OG1 ALA 126.A O no hydrogen 3.246 N/A LEU 79.A N LEU 123.A O no hydrogen 2.660 N/A ASP 82.A N GLU 78.A O no hydrogen 3.309 N/A ILE 83.A N PHE 80.A O no hydrogen 2.962 N/A VAL 84.A N PHE 80.A O no hydrogen 3.083 N/A ALA 85.A N GLU 81.A O no hydrogen 2.784 N/A ARG 86.A N ASP 82.A O no hydrogen 3.224 N/A ARG 86.A NE ASP 82.A OD2 no hydrogen 2.703 N/A TYR 89.A N LEU 187.A O no hydrogen 2.809 N/A ASP 93.A N SER 90.A OG no hydrogen 3.247 N/A ALA 94.A N SER 90.A O no hydrogen 2.709 N/A SER 95.A N GLU 91.A O no hydrogen 2.532 N/A SER 95.A OG TRP 251.A O no hydrogen 3.025 N/A HIS 96.A N ALA 92.A O no hydrogen 2.817 N/A CYS 97.A N ASP 93.A O no hydrogen 2.807 N/A ILE 98.A N ALA 94.A O no hydrogen 2.864 N/A GLN 99.A N SER 95.A O no hydrogen 3.021 N/A GLN 100.A N HIS 96.A O no hydrogen 3.248 N/A GLN 100.A NE2 HIS 96.A NE2 no hydrogen 2.855 N/A GLN 100.A NE2 ALA 132.A O no hydrogen 3.360 N/A ILE 101.A N CYS 97.A O no hydrogen 3.415 N/A LEU 102.A N ILE 98.A O no hydrogen 2.736 N/A GLU 103.A N GLN 99.A O no hydrogen 3.093 N/A SER 104.A N GLN 100.A O no hydrogen 3.118 N/A SER 104.A OG ILE 101.A O no hydrogen 2.857 N/A ILE 105.A N ILE 101.A O no hydrogen 2.831 N/A ALA 106.A N LEU 102.A O no hydrogen 2.689 N/A TYR 107.A N GLU 103.A O no hydrogen 3.124 N/A CYS 108.A N SER 104.A O no hydrogen 2.890 N/A CYS 108.A SG SER 104.A O no hydrogen 3.653 N/A HIS 109.A N ILE 105.A O no hydrogen 2.840 N/A HIS 109.A ND1 ILE 113.A O no hydrogen 3.083 N/A SER 110.A N ALA 106.A O no hydrogen 2.822 N/A SER 110.A OG ALA 106.A O no hydrogen 3.212 N/A SER 110.A OG TYR 107.A O no hydrogen 2.999 N/A ASN 111.A N CYS 108.A O no hydrogen 3.120 N/A ASN 111.A ND2 TYR 107.A O no hydrogen 2.978 N/A ASN 111.A ND2 SER 110.A OG no hydrogen 3.238 N/A GLY 112.A N HIS 109.A O no hydrogen 2.737 N/A ILE 113.A N CYS 108.A O no hydrogen 2.854 N/A VAL 114.A N ILE 143.A O no hydrogen 3.075 N/A HIS 115.A N ASP 176.A OD1 no hydrogen 2.855 N/A HIS 115.A NE2 ALA 137.A O no hydrogen 3.041 N/A ARG 116.A N ASP 176.A OD2 no hydrogen 2.930 N/A ARG 116.A NE LEU 141.A O no hydrogen 2.821 N/A ARG 116.A NH2 LEU 141.A O no hydrogen 3.148 N/A ASN 117.A ND2 ASP 138.A OD2 no hydrogen 2.927 N/A LYS 119.A NZ ASN 117.A OD1 no hydrogen 3.234 N/A LYS 119.A NZ THR 157.A OG1 no hydrogen 2.650 N/A ASN 122.A N LYS 119.A O no hydrogen 3.039 N/A ASN 122.A ND2 ASN 117.A O no hydrogen 2.987 N/A ASN 122.A ND2 ASP 138.A OD2 no hydrogen 3.262 N/A LEU 123.A N PRO 120.A O no hydrogen 2.982 N/A LEU 124.A N LYS 135.A O no hydrogen 2.813 N/A LEU 125.A N GLY 77.A O no hydrogen 2.989 N/A ALA 126.A N ALA 133.A O no hydrogen 2.852 N/A ALA 129.A N SER 127.A OG no hydrogen 2.768 N/A LYS 130.A NZ ASP 93.A OD1 no hydrogen 3.366 N/A VAL 134.A N GLN 100.A OE1 no hydrogen 2.870 N/A LYS 135.A N LEU 124.A O no hydrogen 2.628 N/A LYS 135.A NZ PRO 52.A O no hydrogen 2.708 N/A LYS 135.A NZ ASP 72.A OD1 no hydrogen 3.025 N/A LEU 136.A N ASN 53.A O no hydrogen 2.728 N/A ALA 137.A N ASN 122.A O no hydrogen 3.082 N/A GLY 140.A N ASP 138.A OD1 no hydrogen 3.325 N/A ALA 142.A N PHE 139.A O no hydrogen 2.903 N/A ILE 143.A N VAL 114.A O no hydrogen 3.108 N/A VAL 145.A N GLY 112.A O no hydrogen 2.761 N/A SER 148.A OG ASP 147.A OD1 no hydrogen 3.343 N/A ALA 150.A N TYR 171.A O no hydrogen 3.458 N/A GLY 153.A N TRP 151.A O no hydrogen 2.720 N/A THR 157.A OG1 ASN 117.A OD1 no hydrogen 2.761 N/A TYR 160.A N THR 157.A O no hydrogen 3.033 N/A GLU 164.A N GLU 164.A OE2 no hydrogen 2.658 N/A VAL 165.A N SER 162.A O no hydrogen 3.111 N/A LEU 166.A N SER 162.A O no hydrogen 3.259 N/A LEU 166.A N PRO 163.A O no hydrogen 2.839 N/A LYS 167.A N PRO 163.A O no hydrogen 2.944 N/A LYS 168.A N VAL 165.A O no hydrogen 3.295 N/A ASP 169.A N GLU 164.A O no hydrogen 2.925 N/A TYR 171.A N ALA 150.A O no hydrogen 2.702 N/A TYR 171.A OH GLY 153.A O no hydrogen 2.815 N/A LYS 173.A NZ HIS 109.A O no hydrogen 3.403 N/A VAL 175.A N SER 172.A O no hydrogen 3.208 N/A ASP 176.A N LYS 173.A O no hydrogen 2.976 N/A TRP 178.A N PRO 174.A O no hydrogen 3.153 N/A ALA 179.A N VAL 175.A O no hydrogen 3.403 N/A CYS 180.A N ASP 176.A O no hydrogen 2.934 N/A CYS 180.A SG ASP 176.A O no hydrogen 3.794 N/A GLY 181.A N ILE 177.A O no hydrogen 3.217 N/A VAL 182.A N TRP 178.A O no hydrogen 3.255 N/A ILE 183.A N ALA 179.A O no hydrogen 2.985 N/A LEU 184.A N CYS 180.A O no hydrogen 2.705 N/A TYR 185.A N GLY 181.A O no hydrogen 2.901 N/A TYR 185.A OH ASP 212.A O no hydrogen 2.908 N/A ILE 186.A N VAL 182.A O no hydrogen 2.895 N/A LEU 187.A N ILE 183.A O no hydrogen 2.904 N/A LEU 188.A N LEU 184.A O no hydrogen 3.497 N/A VAL 189.A N ILE 186.A O no hydrogen 2.860 N/A GLY 190.A N ILE 186.A O no hydrogen 2.379 N/A TYR 191.A OH GLU 217.A OE2 no hydrogen 3.051 N/A TRP 195.A N GLN 205.A OE1 no hydrogen 3.306 N/A ASP 198.A N ASP 196.A OD1 no hydrogen 2.800 N/A GLN 199.A NE2 TYR 203.A OH no hydrogen 2.956 N/A LEU 202.A N ASP 198.A O no hydrogen 2.993 N/A TYR 203.A N GLN 199.A O no hydrogen 3.042 N/A ALA 204.A N HIS 200.A O no hydrogen 3.051 N/A GLN 205.A N ARG 201.A O no hydrogen 3.270 N/A GLN 205.A NE2 ALA 210.A O no hydrogen 3.120 N/A ILE 206.A N LEU 202.A O no hydrogen 2.928 N/A LYS 207.A N TYR 203.A O no hydrogen 2.872 N/A ALA 208.A N ALA 204.A O no hydrogen 2.902 N/A GLY 209.A N GLN 205.A O no hydrogen 3.097 N/A GLY 209.A N ILE 206.A O no hydrogen 2.712 N/A ALA 210.A N GLN 205.A O no hydrogen 2.909 N/A TYR 211.A N GLY 209.A O no hydrogen 3.226 N/A TYR 211.A OH ASP 230.A OD1 no hydrogen 3.038 N/A TYR 213.A OH ASP 230.A OD1 no hydrogen 2.616 N/A SER 215.A OG ASP 219.A OD1 no hydrogen 2.482 N/A GLU 217.A N GLU 217.A OE1 no hydrogen 2.832 N/A TRP 218.A N PRO 214.A O no hydrogen 3.175 N/A TRP 218.A NE1 TYR 191.A OH no hydrogen 2.894 N/A ASP 219.A N PRO 216.A O no hydrogen 2.729 N/A THR 220.A OG1 GLU 217.A O no hydrogen 3.534 N/A VAL 221.A N TRP 218.A O no hydrogen 3.251 N/A THR 222.A N GLU 91.A OE2 no hydrogen 3.023 N/A THR 222.A OG1 GLU 91.A OE1 no hydrogen 2.797 N/A GLU 224.A N GLU 224.A OE1 no hydrogen 2.549 N/A ALA 225.A N THR 222.A O no hydrogen 2.774 N/A LYS 226.A N THR 222.A O no hydrogen 3.348 N/A LYS 226.A NZ TRP 218.A O no hydrogen 3.132 N/A SER 227.A N PRO 223.A O no hydrogen 2.734 N/A LEU 228.A N GLU 224.A O no hydrogen 3.361 N/A ILE 229.A N ALA 225.A O no hydrogen 3.198 N/A ASP 230.A N LYS 226.A O no hydrogen 2.724 N/A SER 231.A N SER 227.A O no hydrogen 3.104 N/A SER 231.A OG LEU 228.A O no hydrogen 3.176 N/A MET 232.A N ILE 229.A O no hydrogen 2.650 N/A LEU 233.A N ILE 229.A O no hydrogen 2.729 N/A THR 234.A OG1 ASP 230.A O no hydrogen 3.310 N/A LYS 239.A N ASN 236.A O no hydrogen 2.901 N/A ARG 240.A N PRO 237.A O no hydrogen 2.988 N/A ARG 240.A NE THR 234.A O no hydrogen 2.828 N/A ARG 240.A NH1 GLU 164.A OE1 no hydrogen 2.612 N/A ARG 240.A NH1 PRO 174.A O no hydrogen 2.892 N/A ARG 240.A NH2 GLU 164.A OE1 no hydrogen 3.471 N/A ARG 240.A NH2 GLU 164.A OE2 no hydrogen 2.884 N/A ARG 240.A NH2 THR 234.A O no hydrogen 3.097 N/A ILE 241.A N SER 231.A O no hydrogen 3.147 N/A THR 242.A N GLN 245.A OE1 no hydrogen 3.248 N/A GLN 245.A N THR 242.A O no hydrogen 3.269 N/A ALA 246.A N THR 242.A O no hydrogen 3.022 N/A LEU 247.A N ALA 243.A O no hydrogen 3.126 N/A LYS 248.A N GLN 245.A O no hydrogen 3.055 N/A VAL 249.A N ALA 246.A O no hydrogen 3.316 N/A TRP 251.A NE1 GLU 91.A OE1 no hydrogen 3.033 N/A ILE 252.A N VAL 249.A O no hydrogen 2.757 N/A CYS 253.A N VAL 249.A O no hydrogen 2.689 N/A CYS 253.A SG LEU 247.A O no hydrogen 3.295 N/A