Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kbu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A N ASN 1.A OD1 no hydrogen 2.675 N/A ASN 1.A N GLN 4.A OE1 no hydrogen 2.634 N/A GLN 5.A N ASN 1.A O no hydrogen 3.450 N/A TYR 6.A N GLU 2.A O no hydrogen 2.931 N/A TYR 6.A OH GLN 82.A OE1 no hydrogen 2.516 N/A TYR 7.A N ALA 3.A O no hydrogen 3.053 N/A LEU 8.A N GLN 4.A O no hydrogen 3.111 N/A ASP 9.A N GLN 5.A O no hydrogen 2.891 N/A ALA 10.A N TYR 6.A O no hydrogen 2.824 N/A ASP 11.A N TYR 7.A O no hydrogen 2.922 N/A GLU 12.A N LEU 8.A O no hydrogen 3.057 N/A ALA 13.A N ASP 9.A O no hydrogen 3.145 N/A GLU 14.A N ALA 10.A O no hydrogen 2.938 N/A ALA 15.A N ASP 11.A O no hydrogen 2.865 N/A TRP 16.A N GLU 12.A O no hydrogen 2.899 N/A ILE 17.A N ALA 13.A O no hydrogen 2.793 N/A GLY 18.A N GLU 14.A O no hydrogen 2.851 N/A GLU 19.A N ALA 15.A O no hydrogen 3.131 N/A GLN 20.A N TRP 16.A O no hydrogen 3.091 N/A GLU 21.A N ILE 17.A O no hydrogen 3.001 N/A LEU 22.A N GLY 18.A O no hydrogen 2.981 N/A TYR 23.A N GLU 19.A O no hydrogen 2.933 N/A VAL 24.A N GLU 19.A O no hydrogen 3.033 N/A ILE 25.A N GLN 20.A O no hydrogen 2.922 N/A SER 26.A OG GLU 28.A OE1 no hydrogen 3.229 N/A GLU 28.A N SER 26.A OG no hydrogen 3.317 N/A GLY 35.A N ASP 32.A OD1 no hydrogen 2.605 N/A ALA 36.A N ASP 32.A O no hydrogen 3.109 N/A ILE 37.A N GLU 33.A O no hydrogen 2.979 N/A VAL 38.A N GLU 34.A O no hydrogen 3.165 N/A MET 39.A N GLY 35.A O no hydrogen 3.026 N/A LEU 40.A N ALA 36.A O no hydrogen 2.823 N/A LYS 41.A N ILE 37.A O no hydrogen 3.006 N/A ARG 42.A N VAL 38.A O no hydrogen 3.149 N/A HIS 43.A N MET 39.A O no hydrogen 2.905 N/A HIS 43.A NE2 ALA 96.A O no hydrogen 2.831 N/A LEU 44.A N LEU 40.A O no hydrogen 2.826 N/A ARG 45.A N LYS 41.A O no hydrogen 3.259 N/A GLN 46.A N ARG 42.A O no hydrogen 3.135 N/A GLN 46.A NE2 VAL 24.A O no hydrogen 3.485 N/A GLN 47.A N HIS 43.A O no hydrogen 2.858 N/A ARG 48.A N LEU 44.A O no hydrogen 2.857 N/A ALA 49.A N ARG 45.A O no hydrogen 2.989 N/A VAL 50.A N GLN 46.A O no hydrogen 3.052 N/A GLU 51.A N GLN 47.A O no hydrogen 3.052 N/A ASP 52.A N ARG 48.A O no hydrogen 3.061 N/A TYR 53.A N ALA 49.A O no hydrogen 3.200 N/A TYR 53.A N VAL 50.A O no hydrogen 3.211 N/A GLY 54.A N GLU 51.A O no hydrogen 2.978 N/A ARG 55.A N ASP 52.A O no hydrogen 3.083 N/A ILE 57.A N TYR 53.A O no hydrogen 3.252 N/A LYS 58.A N GLY 54.A O no hydrogen 3.116 N/A GLN 59.A N ARG 55.A O no hydrogen 2.950 N/A LEU 60.A N ASN 56.A O no hydrogen 2.836 N/A ALA 61.A N ILE 57.A O no hydrogen 2.961 N/A SER 62.A N LYS 58.A O no hydrogen 2.854 N/A ARG 63.A N GLN 59.A O no hydrogen 2.964 N/A ARG 63.A NH1 ASP 9.A OD2 no hydrogen 2.792 N/A ARG 63.A NH2 ASP 9.A OD2 no hydrogen 2.643 N/A ALA 64.A N LEU 60.A O no hydrogen 2.881 N/A GLN 65.A N ALA 61.A O no hydrogen 2.912 N/A GLY 66.A N SER 62.A O no hydrogen 3.038 N/A LEU 67.A N ARG 63.A O no hydrogen 2.974 N/A LEU 68.A N ALA 64.A O no hydrogen 2.872 N/A SER 69.A N GLN 65.A O no hydrogen 2.877 N/A SER 69.A OG GLN 65.A O no hydrogen 3.371 N/A SER 69.A OG GLY 66.A O no hydrogen 3.259 N/A ALA 70.A N GLY 66.A O no hydrogen 2.891 N/A GLY 71.A N LEU 68.A O no hydrogen 2.911 N/A HIS 72.A N LEU 67.A O no hydrogen 3.391 N/A GLU 74.A N HIS 72.A ND1 no hydrogen 2.947 N/A GLY 75.A N HIS 72.A O no hydrogen 2.985 N/A ILE 78.A N GLU 74.A O no hydrogen 2.799 N/A ILE 79.A N GLY 75.A O no hydrogen 2.990 N/A ARG 80.A N GLU 76.A O no hydrogen 3.217 N/A LEU 81.A N GLN 77.A O no hydrogen 3.084 N/A GLN 82.A N ILE 78.A O no hydrogen 2.972 N/A GLN 82.A NE2 ILE 57.A O no hydrogen 3.416 N/A GLN 82.A NE2 ASP 86.A OD1 no hydrogen 3.417 N/A GLY 83.A N ILE 79.A O no hydrogen 2.825 N/A GLN 84.A N ARG 80.A O no hydrogen 3.144 N/A VAL 85.A N LEU 81.A O no hydrogen 3.033 N/A ASP 86.A N GLN 82.A O no hydrogen 2.856 N/A LYS 87.A N GLY 83.A O no hydrogen 3.025 N/A HIS 88.A N GLN 84.A O no hydrogen 2.986 N/A HIS 88.A ND1 GLU 14.A OE1 no hydrogen 2.654 N/A HIS 88.A ND1 GLU 14.A OE2 no hydrogen 2.865 N/A TYR 89.A N VAL 85.A O no hydrogen 2.876 N/A TYR 89.A OH VAL 50.A O no hydrogen 2.525 N/A ALA 90.A N ASP 86.A O no hydrogen 2.940 N/A GLY 91.A N LYS 87.A O no hydrogen 2.951 N/A LEU 92.A N HIS 88.A O no hydrogen 3.062 N/A LYS 93.A N TYR 89.A O no hydrogen 2.963 N/A LYS 93.A NZ GLU 51.A OE1 no hydrogen 3.293 N/A ASP 94.A N ALA 90.A O no hydrogen 2.962 N/A VAL 95.A N GLY 91.A O no hydrogen 2.907 N/A ALA 96.A N LEU 92.A O no hydrogen 2.980 N/A CYS 97.A N LYS 93.A O no hydrogen 3.147 N/A CYS 97.A SG LYS 93.A O no hydrogen 3.349 N/A GLU 98.A N ASP 94.A O no hydrogen 3.047 N/A ARG 99.A N VAL 95.A O no hydrogen 3.097 N/A ARG 99.A NH1 GLU 28.A O no hydrogen 2.578 N/A ARG 99.A NH2 GLU 28.A O no hydrogen 3.282 N/A LYS 100.A N ALA 96.A O no hydrogen 3.151 N/A ARG 101.A N CYS 97.A O no hydrogen 2.775 N/A ARG 101.A NE GLU 98.A OE2 no hydrogen 2.890 N/A ARG 101.A NH2 GLU 98.A OE2 no hydrogen 2.825 N/A LYS 102.A N GLU 98.A O no hydrogen 2.858 N/A LEU 103.A N ARG 99.A O no hydrogen 2.843 N/A GLU 104.A N LYS 100.A O no hydrogen 2.971 N/A ASN 105.A N ARG 101.A O no hydrogen 3.046 N/A MET 106.A N LYS 102.A O no hydrogen 2.922 N/A TYR 107.A N LEU 103.A O no hydrogen 2.924 N/A HIS 108.A N GLU 104.A O no hydrogen 2.743 N/A LEU 109.A N ASN 105.A O no hydrogen 2.847 N/A PHE 110.A N MET 106.A O no hydrogen 3.170 N/A GLN 111.A N TYR 107.A O no hydrogen 2.954 N/A LEU 112.A N HIS 108.A O no hydrogen 2.941 N/A LYS 113.A N LEU 109.A O no hydrogen 2.903 N/A LYS 113.A NZ ASP 117.A OD2 no hydrogen 3.385 N/A ARG 114.A N PHE 110.A O no hydrogen 3.090 N/A ARG 114.A N GLN 111.A O no hydrogen 2.989 N/A ARG 114.A NE GLU 33.A OE1 no hydrogen 2.734 N/A ARG 114.A NH1 GLU 33.A OE1 no hydrogen 3.021 N/A ARG 114.A NH1 GLU 33.A OE2 no hydrogen 2.736 N/A GLU 115.A N GLN 111.A O no hydrogen 3.014 N/A THR 116.A N LEU 112.A O no hydrogen 2.864 N/A THR 116.A OG1 LEU 112.A O no hydrogen 3.243 N/A ASP 117.A N LYS 113.A O no hydrogen 2.973 N/A ASP 118.A N ARG 114.A O no hydrogen 3.049 N/A LEU 119.A N GLU 115.A O no hydrogen 3.038 N/A GLU 120.A N THR 116.A O no hydrogen 2.839 N/A GLN 121.A N ASP 117.A O no hydrogen 2.806 N/A GLN 121.A NE2 GLN 121.A O no hydrogen 3.501 N/A TRP 122.A N ASP 118.A O no hydrogen 2.878 N/A ILE 123.A N LEU 119.A O no hydrogen 3.065 N/A SER 124.A N GLU 120.A O no hydrogen 2.990 N/A SER 124.A OG GLU 120.A O no hydrogen 3.342 N/A GLU 125.A N GLN 121.A O no hydrogen 3.056 N/A LYS 126.A N TRP 122.A O no hydrogen 2.988 N/A GLU 127.A N ILE 123.A O no hydrogen 2.896 N/A LEU 128.A N SER 124.A O no hydrogen 3.143 N/A VAL 129.A N GLU 125.A O no hydrogen 3.327 N/A ALA 130.A N LYS 126.A O no hydrogen 3.012 N/A SER 131.A N GLU 127.A O no hydrogen 2.787 N/A SER 131.A N LEU 128.A O no hydrogen 3.204 N/A SER 131.A OG LEU 128.A O no hydrogen 3.291 N/A SER 132.A N VAL 129.A O no hydrogen 3.328 N/A GLY 136.A N GLU 134.A OE2 no hydrogen 3.103 N/A GLN 137.A N HIS 141.A ND1 no hydrogen 3.184 N/A HIS 141.A N ASP 138.A OD1 no hydrogen 2.997 N/A VAL 142.A N ASP 138.A O no hydrogen 2.925 N/A THR 143.A N PHE 139.A O no hydrogen 2.908 N/A THR 143.A OG1 PHE 139.A O no hydrogen 2.849 N/A LEU 144.A N ASP 140.A O no hydrogen 3.288 N/A LEU 145.A N HIS 141.A O no hydrogen 2.707 N/A ARG 146.A N VAL 142.A O no hydrogen 2.747 N/A ARG 146.A NH2 ASP 147.A OD1 no hydrogen 2.858 N/A ASP 147.A N THR 143.A O no hydrogen 3.032 N/A LYS 148.A N LEU 144.A O no hydrogen 2.758 N/A PHE 149.A N LEU 145.A O no hydrogen 2.975 N/A ARG 150.A N ARG 146.A O no hydrogen 2.930 N/A ASP 151.A N ASP 147.A O no hydrogen 3.170 N/A PHE 152.A N LYS 148.A O no hydrogen 2.863 N/A ALA 153.A N PHE 149.A O no hydrogen 2.766 N/A ARG 154.A N ARG 150.A O no hydrogen 3.077 N/A GLU 155.A N ASP 151.A O no hydrogen 3.129 N/A THR 156.A N PHE 152.A O no hydrogen 2.966 N/A THR 156.A OG1 PHE 152.A O no hydrogen 2.613 N/A GLY 157.A N ALA 153.A O no hydrogen 2.949 N/A ALA 158.A N ARG 154.A O no hydrogen 2.810 N/A ILE 159.A N GLU 155.A O no hydrogen 2.924 N/A GLY 160.A N THR 156.A O no hydrogen 2.930 N/A GLN 161.A N GLY 157.A O no hydrogen 2.883 N/A GLN 161.A NE2 ASP 165.A OD1 no hydrogen 3.325 N/A GLU 162.A N ALA 158.A O no hydrogen 3.339 N/A ARG 163.A N ILE 159.A O no hydrogen 3.098 N/A VAL 164.A N GLY 160.A O no hydrogen 2.822 N/A ASP 165.A N GLN 161.A O no hydrogen 2.968 N/A ASN 166.A N GLU 162.A O no hydrogen 3.027 N/A VAL 167.A N ARG 163.A O no hydrogen 3.173 N/A ASN 168.A N VAL 164.A O no hydrogen 2.749 N/A ASN 168.A ND2 VAL 164.A O no hydrogen 2.987 N/A ASN 168.A ND2 ASN 193.A OD1 no hydrogen 3.012 N/A ALA 169.A N ASP 165.A O no hydrogen 2.729 N/A PHE 170.A N ASN 166.A O no hydrogen 2.855 N/A ILE 171.A N VAL 167.A O no hydrogen 2.853 N/A GLU 172.A N ASN 168.A O no hydrogen 2.954 N/A ARG 173.A N ALA 169.A O no hydrogen 2.854 N/A LEU 174.A N PHE 170.A O no hydrogen 3.115 N/A ILE 175.A N ILE 171.A O no hydrogen 3.004 N/A ASP 176.A N GLU 172.A O no hydrogen 2.743 N/A ALA 177.A N ARG 173.A O no hydrogen 2.989 N/A GLY 178.A N LEU 174.A O no hydrogen 3.127 N/A GLY 178.A N ILE 175.A O no hydrogen 2.969 N/A SER 180.A OG GLU 181.A OE2 no hydrogen 3.081 N/A GLU 181.A N HIS 179.A ND1 no hydrogen 2.826 N/A ALA 182.A N HIS 179.A O no hydrogen 2.981 N/A ILE 185.A N GLU 181.A O no hydrogen 2.915 N/A ALA 186.A N ALA 182.A O no hydrogen 2.804 N/A GLU 187.A N ALA 183.A O no hydrogen 3.086 N/A TRP 188.A N THR 184.A O no hydrogen 2.945 N/A LYS 189.A N ILE 185.A O no hydrogen 2.970 N/A LYS 189.A NZ GLU 172.A OE2 no hydrogen 2.610 N/A ASP 190.A N ALA 186.A O no hydrogen 2.940 N/A GLY 191.A N GLU 187.A O no hydrogen 3.016 N/A LEU 192.A N TRP 188.A O no hydrogen 2.882 N/A ASN 193.A N LYS 189.A O no hydrogen 2.806 N/A ASN 193.A ND2 ASN 168.A OD1 no hydrogen 2.880 N/A ASN 193.A ND2 LYS 189.A O no hydrogen 3.097 N/A GLU 194.A N ASP 190.A O no hydrogen 2.898 N/A MET 195.A N GLY 191.A O no hydrogen 3.012 N/A TRP 196.A N LEU 192.A O no hydrogen 3.066 N/A TRP 196.A NE1 GLN 161.A OE1 no hydrogen 2.645 N/A ALA 197.A N ASN 193.A O no hydrogen 2.967 N/A ASP 198.A N GLU 194.A O no hydrogen 2.830 N/A LEU 199.A N MET 195.A O no hydrogen 2.833 N/A LEU 200.A N TRP 196.A O no hydrogen 2.849 N/A GLU 201.A N ALA 197.A O no hydrogen 3.206 N/A LEU 202.A N ASP 198.A O no hydrogen 2.912 N/A ILE 203.A N LEU 199.A O no hydrogen 2.882 N/A ASP 204.A N LEU 200.A O no hydrogen 2.885 N/A THR 205.A N GLU 201.A O no hydrogen 2.731 N/A THR 205.A OG1 GLU 201.A O no hydrogen 3.465 N/A THR 205.A OG1 LEU 202.A O no hydrogen 3.217 N/A ARG 206.A N LEU 202.A O no hydrogen 3.189 N/A ARG 206.A NH1 GLU 134.A O no hydrogen 2.976 N/A ARG 206.A NH2 GLU 134.A O no hydrogen 3.113 N/A MET 207.A N ILE 203.A O no hydrogen 3.081 N/A GLN 208.A N ASP 204.A O no hydrogen 3.054 N/A LEU 209.A N THR 205.A O no hydrogen 2.769 N/A LEU 210.A N ARG 206.A O no hydrogen 2.887 N/A ALA 211.A N MET 207.A O no hydrogen 2.775 N/A ALA 212.A N GLN 208.A O no hydrogen 3.106 N/A SER 213.A N LEU 209.A O no hydrogen 3.116 N/A SER 213.A OG MET 135.A O no hydrogen 2.720 N/A TYR 214.A N LEU 210.A O no hydrogen 2.796 N/A ASP 215.A N ALA 211.A O no hydrogen 3.012 N/A LEU 216.A N ALA 212.A O no hydrogen 3.057 N/A HIS 217.A N SER 213.A O no hydrogen 3.004 N/A ARG 218.A N TYR 214.A O no hydrogen 2.705 N/A TYR 219.A N ASP 215.A O no hydrogen 2.776 N/A TYR 219.A OH ILE 270.A O no hydrogen 2.811 N/A PHE 220.A N LEU 216.A O no hydrogen 3.129 N/A TYR 221.A N HIS 217.A O no hydrogen 2.805 N/A THR 222.A N ARG 218.A O no hydrogen 2.901 N/A THR 222.A OG1 ARG 218.A O no hydrogen 2.836 N/A GLY 223.A N TYR 219.A O no hydrogen 2.892 N/A ALA 224.A N PHE 220.A O no hydrogen 3.314 N/A GLU 225.A N TYR 221.A O no hydrogen 3.190 N/A ILE 226.A N THR 222.A O no hydrogen 2.823 N/A LEU 227.A N GLY 223.A O no hydrogen 2.841 N/A GLY 228.A N ALA 224.A O no hydrogen 3.105 N/A LEU 229.A N GLU 225.A O no hydrogen 2.978 N/A ILE 230.A N ILE 226.A O no hydrogen 2.916 N/A ASP 231.A N LEU 227.A O no hydrogen 3.030 N/A GLU 232.A N GLY 228.A O no hydrogen 2.947 N/A LYS 233.A N LEU 229.A O no hydrogen 3.118 N/A LYS 233.A NZ GLU 236.A OE2 no hydrogen 2.818 N/A HIS 234.A N ILE 230.A O no hydrogen 3.055 N/A ARG 235.A N ASP 231.A O no hydrogen 2.878 N/A ARG 235.A NE ASP 231.A OD2 no hydrogen 3.361 N/A GLU 236.A N LYS 233.A O no hydrogen 3.160 N/A VAL 241.A N PHE 237.A O no hydrogen 2.933 N/A HIS 242.A N GLU 238.A O no hydrogen 3.008 N/A LEU 243.A N ARG 239.A O no hydrogen 3.067 N/A LEU 244.A N ASP 240.A O no hydrogen 3.124 N/A GLY 245.A N VAL 241.A O no hydrogen 2.973 N/A VAL 246.A N HIS 242.A O no hydrogen 3.028 N/A GLN 247.A N LEU 243.A O no hydrogen 3.314 N/A VAL 248.A N LEU 244.A O no hydrogen 2.914 N/A GLN 249.A N GLY 245.A O no hydrogen 3.054 N/A GLN 250.A N VAL 246.A O no hydrogen 2.909 N/A PHE 251.A N GLN 247.A O no hydrogen 2.852 N/A GLN 252.A N VAL 248.A O no hydrogen 2.872 N/A GLN 252.A NE2 SER 278.A OG no hydrogen 3.121 N/A ASP 253.A N GLN 249.A O no hydrogen 3.183 N/A VAL 254.A N GLN 250.A O no hydrogen 3.229 N/A ALA 255.A N PHE 251.A O no hydrogen 3.016 N/A THR 256.A N GLN 252.A O no hydrogen 3.053 N/A THR 256.A OG1 GLN 252.A O no hydrogen 3.485 N/A ARG 257.A N ASP 253.A O no hydrogen 3.039 N/A ARG 257.A NH1 ASP 215.A OD2 no hydrogen 3.203 N/A LEU 258.A N VAL 254.A O no hydrogen 2.912 N/A GLN 259.A N ALA 255.A O no hydrogen 3.129 N/A THR 260.A N THR 256.A O no hydrogen 3.411 N/A ALA 261.A N LEU 258.A O no hydrogen 2.769 N/A TYR 262.A N LEU 258.A O no hydrogen 3.200 N/A TYR 262.A N GLN 259.A O no hydrogen 3.251 N/A GLU 268.A N GLY 264.A O no hydrogen 3.173 N/A ALA 269.A N GLU 265.A O no hydrogen 3.078 N/A ILE 270.A N LYS 266.A O no hydrogen 3.021 N/A GLN 271.A N ALA 267.A O no hydrogen 3.100 N/A ASN 272.A N GLU 268.A O no hydrogen 2.863 N/A LYS 273.A N ALA 269.A O no hydrogen 2.935 N/A GLU 274.A N ILE 270.A O no hydrogen 3.136 N/A GLN 275.A N GLN 271.A O no hydrogen 2.946 N/A GLU 276.A N ASN 272.A O no hydrogen 2.922 N/A VAL 277.A N LYS 273.A O no hydrogen 2.986 N/A SER 278.A N GLU 274.A O no hydrogen 2.910 N/A SER 278.A OG GLU 274.A O no hydrogen 3.226 N/A SER 278.A OG GLU 274.A OE2 no hydrogen 2.844 N/A ALA 279.A N GLN 275.A O no hydrogen 2.981 N/A ALA 280.A N GLU 276.A O no hydrogen 2.976 N/A TRP 281.A N VAL 277.A O no hydrogen 3.049 N/A GLN 282.A N SER 278.A O no hydrogen 2.850 N/A ALA 283.A N ALA 279.A O no hydrogen 3.138 N/A LEU 284.A N ALA 280.A O no hydrogen 3.151 N/A LEU 285.A N TRP 281.A O no hydrogen 3.020 N/A