Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4a1n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ GLU 5.A OE2 no hydrogen 3.439 N/A GLU 5.A N LYS 1.A O no hydrogen 2.839 N/A GLN 6.A N VAL 3.A O no hydrogen 3.303 N/A GLY 8.A N GLU 5.A O no hydrogen 2.922 N/A GLU 15.A N GLU 15.A OE1 no hydrogen 2.939 N/A ARG 17.A N LEU 24.A O no hydrogen 2.717 N/A ARG 17.A NH1 ASN 61.A O no hydrogen 3.248 N/A TYR 19.A N HIS 22.A O no hydrogen 2.845 N/A THR 20.A N GLU 98.A OE1 no hydrogen 2.967 N/A THR 20.A OG1 GLU 98.A OE1 no hydrogen 2.613 N/A ASN 21.A ND2 HIS 39.A O no hydrogen 3.362 N/A ASN 21.A ND2 ASN 89.A OD1 no hydrogen 2.684 N/A ALA 23.A N LEU 37.A O no hydrogen 2.881 N/A LEU 24.A N ARG 17.A O no hydrogen 2.982 N/A SER 25.A N TRP 35.A O no hydrogen 3.243 N/A SER 25.A OG THR 14.A O no hydrogen 2.658 N/A TYR 26.A OH PHE 66.A O no hydrogen 2.650 N/A ASP 27.A N VAL 32.A O no hydrogen 2.921 N/A ALA 29.A N ASP 27.A OD1 no hydrogen 3.226 N/A LYS 30.A N ASP 27.A O no hydrogen 3.201 N/A LYS 30.A N ASP 27.A OD1 no hydrogen 3.264 N/A ARG 31.A N ASP 27.A O no hydrogen 2.850 N/A ARG 31.A NE ASP 162.A O no hydrogen 2.846 N/A ARG 31.A NH1 GLN 28.A O no hydrogen 3.055 N/A ARG 31.A NH2 ASP 162.A O no hydrogen 3.425 N/A ARG 34.A N SER 25.A O no hydrogen 2.733 N/A ARG 34.A NH1 SER 218.A O no hydrogen 2.672 N/A ARG 34.A NH2 SER 218.A O no hydrogen 2.709 N/A VAL 36.A N SER 138.A O no hydrogen 2.751 N/A LEU 37.A N ALA 23.A O no hydrogen 2.826 N/A GLU 38.A N VAL 136.A O no hydrogen 2.980 N/A HIS 39.A NE2 ASP 133.A OD1 no hydrogen 2.961 N/A ILE 40.A N VAL 134.A O no hydrogen 2.697 N/A SER 41.A OG SER 43.A OG no hydrogen 3.301 N/A SER 43.A OG SER 41.A OG no hydrogen 3.301 N/A LYS 44.A NZ ASN 21.A OD1 no hydrogen 2.987 N/A LYS 44.A NZ HIS 39.A ND1 no hydrogen 2.764 N/A ILE 45.A N SER 41.A O no hydrogen 3.431 N/A MET 46.A N SER 43.A O no hydrogen 3.206 N/A ALA 49.A N LYS 90.A O no hydrogen 3.087 N/A LYS 52.A N ASP 50.A OD1 no hydrogen 3.380 N/A HIS 53.A N ASP 50.A O no hydrogen 3.059 N/A CYS 54.A N ARG 51.A O no hydrogen 3.263 N/A LYS 57.A N PHE 100.A O no hydrogen 3.141 N/A ASN 61.A N ASP 59.A OD1 no hydrogen 2.855 N/A ASN 61.A ND2 ASP 59.A OD1 no hydrogen 2.853 N/A ILE 62.A N ASP 59.A O no hydrogen 3.008 N/A PHE 66.A N PRO 63.A O no hydrogen 2.935 N/A SER 67.A N PRO 64.A O no hydrogen 3.279 N/A SER 67.A OG ALA 68.A O no hydrogen 2.774 N/A PHE 69.A N ASP 72.A OD2 no hydrogen 2.745 N/A ASN 70.A ND2 PHE 56.A O no hydrogen 2.818 N/A ASP 72.A N PHE 69.A O no hydrogen 2.925 N/A TYR 73.A N ASN 70.A O no hydrogen 2.951 N/A VAL 74.A N ASN 70.A O no hydrogen 2.743 N/A SER 76.A N TYR 73.A O no hydrogen 3.070 N/A SER 76.A OG TYR 73.A O no hydrogen 2.534 N/A TRP 78.A N SER 76.A OG no hydrogen 2.928 N/A TRP 78.A NE1 GLN 157.A OE1 no hydrogen 2.826 N/A SER 79.A N GLN 108.A O no hydrogen 2.895 N/A SER 79.A OG GLN 108.A O no hydrogen 2.672 N/A ARG 80.A NH1 ASN 70.A OD1 no hydrogen 2.786 N/A GLY 81.A N VAL 106.A O no hydrogen 2.851 N/A MET 83.A N ASN 104.A O no hydrogen 3.030 N/A ALA 84.A N ASN 104.A OD1 no hydrogen 2.775 N/A ASN 88.A N PRO 85.A O no hydrogen 3.371 N/A ASN 88.A ND2 GLU 38.A OE1 no hydrogen 2.784 N/A ASN 89.A N ALA 86.A O no hydrogen 2.935 N/A ASN 89.A ND2 PRO 85.A O no hydrogen 2.989 N/A LYS 90.A NZ GLY 47.A O no hydrogen 2.824 N/A PHE 91.A N LYS 44.A O no hydrogen 3.140 N/A SER 92.A N ASN 89.A O no hydrogen 3.134 N/A ALA 95.A N SER 92.A OG no hydrogen 2.967 N/A MET 96.A N SER 92.A O no hydrogen 2.967 N/A ALA 97.A N SER 93.A O no hydrogen 2.871 N/A GLU 98.A N LYS 94.A O no hydrogen 3.022 N/A THR 99.A N MET 96.A O no hydrogen 3.153 N/A THR 99.A OG1 MET 96.A O no hydrogen 2.714 N/A PHE 100.A N ALA 97.A O no hydrogen 2.825 N/A TYR 101.A N GLU 98.A O no hydrogen 3.354 N/A LEU 102.A N LYS 57.A O no hydrogen 2.988 N/A SER 103.A OG ASP 59.A OD2 no hydrogen 2.676 N/A ASN 104.A N TYR 101.A O no hydrogen 2.944 N/A ASN 104.A ND2 ALA 84.A O no hydrogen 2.912 N/A ASN 104.A ND2 THR 99.A O no hydrogen 2.879 N/A ILE 105.A N LEU 102.A O no hydrogen 3.008 N/A VAL 106.A N GLY 81.A O no hydrogen 3.041 N/A GLN 108.A N SER 79.A O no hydrogen 2.924 N/A GLN 108.A NE2 ASN 112.A OD1 no hydrogen 2.963 N/A ASP 109.A N ASN 195.A OD1 no hydrogen 2.795 N/A ASP 111.A N ASP 109.A OD1 no hydrogen 2.953 N/A ASN 112.A N ASP 109.A OD1 no hydrogen 3.304 N/A ASN 112.A ND2 GLU 196.A O no hydrogen 2.844 N/A ASN 113.A N ASP 109.A O no hydrogen 2.847 N/A ASN 113.A ND2 SER 79.A OG no hydrogen 2.741 N/A ASN 113.A ND2 ARG 80.A O no hydrogen 3.612 N/A SER 114.A N PHE 110.A O no hydrogen 3.334 N/A SER 114.A OG PHE 110.A O no hydrogen 3.216 N/A GLY 115.A N ASP 111.A O no hydrogen 2.718 N/A TYR 116.A OH PRO 202.A O no hydrogen 2.745 N/A TRP 117.A N ASN 112.A O no hydrogen 2.927 N/A ASN 118.A ND2 SER 114.A O no hydrogen 3.181 N/A ARG 119.A N GLY 115.A O no hydrogen 3.114 N/A ILE 120.A N TYR 116.A O no hydrogen 2.956 N/A GLU 121.A N TRP 117.A O no hydrogen 2.920 N/A MET 122.A N ASN 118.A O no hydrogen 2.840 N/A TYR 123.A N ARG 119.A O no hydrogen 2.904 N/A TYR 123.A OH ASP 239.A OD2 no hydrogen 2.722 N/A CYS 124.A N ILE 120.A O no hydrogen 2.932 N/A CYS 124.A SG ILE 120.A O no hydrogen 3.494 N/A ARG 125.A N GLU 121.A O no hydrogen 3.021 N/A ARG 125.A NH1 ASN 88.A OD1 no hydrogen 2.829 N/A GLU 126.A N MET 122.A O no hydrogen 2.932 N/A LEU 127.A N TYR 123.A O no hydrogen 3.174 N/A THR 128.A N ARG 125.A O no hydrogen 3.199 N/A THR 128.A OG1 ARG 125.A O no hydrogen 2.493 N/A GLU 129.A N GLU 126.A O no hydrogen 2.841 N/A ARG 130.A N LEU 127.A O no hydrogen 3.119 N/A ARG 130.A NE ASP 239.A OD1 no hydrogen 2.626 N/A ARG 130.A NH1 GLU 126.A OE2 no hydrogen 2.911 N/A ARG 130.A NH2 GLU 126.A OE2 no hydrogen 3.225 N/A ARG 130.A NH2 ASP 239.A OD1 no hydrogen 3.032 N/A ARG 130.A NH2 ASP 239.A OD2 no hydrogen 2.898 N/A PHE 131.A N LEU 127.A O no hydrogen 2.792 N/A GLU 132.A N ARG 178.A O no hydrogen 2.934 N/A ASP 133.A N ARG 177.A O no hydrogen 3.298 N/A VAL 134.A N ILE 40.A O no hydrogen 3.063 N/A TRP 135.A N LEU 175.A O no hydrogen 2.660 N/A VAL 136.A N GLU 38.A O no hydrogen 2.925 N/A VAL 137.A N VAL 173.A O no hydrogen 2.901 N/A SER 138.A N VAL 36.A O no hydrogen 2.784 N/A GLY 139.A N TYR 171.A O no hydrogen 3.218 N/A LEU 141.A N HIS 169.A O no hydrogen 2.810 N/A LEU 143.A N SER 168.A OG no hydrogen 2.978 N/A GLN 145.A N ILE 153.A O no hydrogen 2.980 N/A ARG 147.A N LYS 151.A O no hydrogen 2.727 N/A ARG 147.A NE ASP 149.A OD1 no hydrogen 3.091 N/A ARG 147.A NH2 ASP 149.A OD1 no hydrogen 3.338 N/A ARG 147.A NH2 ASP 149.A OD2 no hydrogen 2.787 N/A GLY 150.A N ARG 147.A O no hydrogen 2.973 N/A LYS 151.A N ASP 149.A OD1 no hydrogen 3.163 N/A ILE 153.A N GLN 145.A O no hydrogen 3.002 N/A ILE 159.A N VAL 164.A O no hydrogen 2.803 N/A ASP 162.A N ASP 72.A OD1 no hydrogen 3.061 N/A ASN 163.A N GLY 160.A O no hydrogen 3.290 N/A VAL 164.A N ILE 159.A O no hydrogen 2.817 N/A ALA 165.A N LYS 30.A O no hydrogen 3.024 N/A VAL 166.A N GLN 157.A O no hydrogen 2.909 N/A SER 168.A N LEU 141.A O no hydrogen 2.768 N/A SER 168.A OG LEU 141.A O no hydrogen 3.083 N/A SER 168.A OG HIS 169.A ND1 no hydrogen 2.640 N/A HIS 169.A N LEU 141.A O no hydrogen 3.052 N/A HIS 169.A ND1 SER 168.A OG no hydrogen 2.640 N/A LEU 170.A N VAL 193.A O no hydrogen 2.864 N/A TYR 171.A N GLY 139.A O no hydrogen 2.883 N/A TYR 171.A OH ARG 34.A O no hydrogen 2.950 N/A LYS 172.A N PHE 191.A O no hydrogen 2.950 N/A LYS 172.A NZ SER 138.A OG no hydrogen 3.066 N/A VAL 173.A N VAL 137.A O no hydrogen 2.821 N/A ILE 174.A N GLY 189.A O no hydrogen 2.784 N/A LEU 175.A N TRP 135.A O no hydrogen 2.793 N/A ALA 176.A N ALA 187.A O no hydrogen 2.823 N/A ARG 177.A N ASP 133.A O no hydrogen 2.933 N/A ARG 177.A NH2 ASP 133.A OD2 no hydrogen 2.785 N/A ARG 178.A NH1 ARG 130.A O no hydrogen 2.821 N/A ARG 178.A NH2 VAL 238.A O no hydrogen 3.098 N/A SER 182.A OG SER 179.A O no hydrogen 3.357 N/A LEU 186.A N ASP 231.A O no hydrogen 2.689 N/A ALA 187.A N ALA 176.A O no hydrogen 2.951 N/A LEU 188.A N ARG 233.A O no hydrogen 2.929 N/A GLY 189.A N ILE 174.A O no hydrogen 2.982 N/A PHE 191.A N LYS 172.A O no hydrogen 2.904 N/A VAL 192.A N PHE 207.A O no hydrogen 3.000 N/A VAL 193.A N LEU 170.A O no hydrogen 2.910 N/A ASN 195.A N SER 168.A O no hydrogen 2.741 N/A ASN 195.A ND2 PRO 107.A O no hydrogen 3.010 N/A ASN 195.A ND2 PRO 167.A O no hydrogen 3.047 N/A GLU 196.A N PRO 194.A O no hydrogen 2.907 N/A GLN 203.A N GLU 206.A OE2 no hydrogen 3.004 N/A GLN 203.A NE2 GLN 201.A O no hydrogen 3.166 N/A GLU 206.A N GLN 203.A O no hydrogen 2.889 N/A PHE 207.A N LEU 204.A O no hydrogen 2.904 N/A GLN 208.A N THR 205.A O no hydrogen 3.224 N/A GLN 208.A NE2 ASN 234.A OD1 no hydrogen 2.901 N/A VAL 209.A N ALA 190.A O no hydrogen 2.928 N/A ASP 213.A N SER 210.A OG no hydrogen 3.079 N/A LEU 214.A N SER 210.A O no hydrogen 3.009 N/A GLU 215.A N LEU 211.A O no hydrogen 2.800 N/A LYS 216.A N GLN 212.A O no hydrogen 2.917 N/A LEU 217.A N ASP 213.A O no hydrogen 3.091 N/A SER 218.A N LEU 214.A O no hydrogen 2.829 N/A SER 218.A OG LEU 214.A O no hydrogen 2.872 N/A GLY 219.A N GLU 215.A O no hydrogen 2.743 N/A PHE 222.A N GLU 215.A OE2 no hydrogen 2.907 N/A LEU 226.A N PHE 223.A O no hydrogen 3.252 N/A ASP 227.A N ASP 231.A OD2 no hydrogen 2.877 N/A ARG 228.A NH1 GLU 215.A OE1 no hydrogen 2.868 N/A ARG 228.A NH1 GLU 215.A OE2 no hydrogen 3.426 N/A ARG 228.A NH2 GLU 215.A OE2 no hydrogen 2.992 N/A THR 229.A N ASP 227.A OD1 no hydrogen 3.084 N/A THR 229.A OG1 ASP 227.A OD1 no hydrogen 2.496 N/A SER 230.A N ASP 227.A O no hydrogen 3.055 N/A SER 230.A OG ASP 231.A OD1 no hydrogen 2.987 N/A ASP 231.A N ASP 227.A O no hydrogen 2.813 N/A ARG 233.A N LEU 186.A O no hydrogen 3.023 N/A ILE 235.A N LEU 188.A O no hydrogen 3.014 N/A CYS 236.A N ASN 234.A OD1 no hydrogen 3.225 N/A CYS 236.A SG GLN 208.A OE1 no hydrogen 3.249 N/A SER 237.A N ASN 234.A O no hydrogen 3.175 N/A VAL 238.A N ILE 235.A O no hydrogen 3.240 N/A CYS 241.A N ASP 239.A OD2 no hydrogen 3.211 N/A CYS 241.A SG TYR 123.A OH no hydrogen 3.393 N/A LYS 242.A NZ GLN 203.A OE1 no hydrogen 3.105 N/A ASP 245.A N GLU 248.A OE2 no hydrogen 3.097 N/A GLU 248.A N ASP 245.A OD1 no hydrogen 2.949 N/A PHE 249.A N ASP 245.A O no hydrogen 2.976 N/A THR 250.A N PHE 246.A O no hydrogen 2.946 N/A THR 250.A OG1 PHE 246.A O no hydrogen 2.733 N/A THR 250.A OG1 GLN 247.A O no hydrogen 3.221 N/A LEU 251.A N GLN 247.A O no hydrogen 3.112 N/A TYR 252.A N GLU 248.A O no hydrogen 3.084 N/A LEU 253.A N PHE 249.A O no hydrogen 3.040 N/A SER 254.A N THR 250.A O no hydrogen 3.048 N/A SER 254.A OG THR 250.A O no hydrogen 2.895 N/A THR 255.A N LEU 251.A O no hydrogen 2.950 N/A THR 255.A OG1 LEU 251.A O no hydrogen 2.547 N/A ARG 256.A N TYR 252.A O no hydrogen 3.313 N/A LYS 257.A N LEU 253.A O no hydrogen 2.957 N/A ILE 258.A N THR 255.A O no hydrogen 3.261 N/A ILE 268.A N ARG 264.A O no hydrogen 3.247 N/A MET 269.A N LEU 265.A O no hydrogen 3.433 N/A VAL 270.A N GLU 266.A O no hydrogen 3.104 N/A ASN 271.A N LYS 267.A O no hydrogen 3.220 N/A LEU 272.A N ILE 268.A O no hydrogen 3.189 N/A LYS 273.A N MET 269.A O no hydrogen 3.178 N/A ASN 274.A N VAL 270.A O no hydrogen 3.052 N/A GLU 275.A N LEU 272.A O no hydrogen 2.476 N/A PHE 282.A N ASP 279.A OD2 no hydrogen 2.991 N/A MET 283.A N ASP 280.A O no hydrogen 3.250 N/A SER 284.A N TYR 281.A O no hydrogen 3.104 N/A SER 284.A OG TYR 281.A O no hydrogen 2.684 N/A ARG 285.A N PHE 282.A O no hydrogen 3.278 N/A TYR 286.A N PHE 282.A O no hydrogen 3.023 N/A TYR 286.A OH LEU 265.A O no hydrogen 3.204 N/A