Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kck_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N TYR 25.A OH no hydrogen 2.885 N/A HIS 7.A N GLU 4.A O no hydrogen 3.147 N/A LEU 8.A N GLU 5.A O no hydrogen 3.161 N/A LYS 9.A N ARG 24.A O no hydrogen 2.972 N/A LYS 9.A NZ ASP 26.A OD2 no hydrogen 2.780 N/A LYS 9.A NZ ASN 31.A OD1 no hydrogen 3.224 N/A LEU 11.A N MET 22.A O no hydrogen 2.958 N/A GLN 12.A N MET 22.A O no hydrogen 3.240 N/A GLN 12.A NE2 GLN 13.A O no hydrogen 3.477 N/A LEU 14.A N VAL 20.A O no hydrogen 2.735 N/A GLY 15.A N VAL 20.A O no hydrogen 3.330 N/A GLY 17.A N GLY 18.A O no hydrogen 2.707 N/A SER 19.A N LYS 40.A O no hydrogen 3.011 N/A VAL 20.A N GLY 15.A O no hydrogen 2.781 N/A GLU 21.A N VAL 38.A O no hydrogen 2.895 N/A MET 22.A N GLN 12.A O no hydrogen 2.678 N/A CYS 23.A N VAL 36.A O no hydrogen 2.771 N/A ARG 24.A N LYS 9.A O no hydrogen 2.887 N/A ARG 24.A NH1 GLY 33.A O no hydrogen 2.851 N/A TYR 25.A N GLU 34.A O no hydrogen 2.628 N/A ASP 26.A N HIS 7.A O no hydrogen 2.932 N/A GLN 29.A N ASP 26.A O no hydrogen 3.103 N/A ASN 31.A N ASP 26.A OD2 no hydrogen 2.834 N/A THR 32.A N ASP 30.A OD1 no hydrogen 3.235 N/A THR 32.A OG1 ASP 30.A OD1 no hydrogen 2.658 N/A THR 32.A OG1 ASP 30.A OD2 no hydrogen 3.397 N/A GLY 33.A N ASP 26.A OD1 no hydrogen 3.207 N/A VAL 36.A N CYS 23.A O no hydrogen 2.705 N/A ALA 37.A N MET 86.A O no hydrogen 3.013 N/A VAL 38.A N GLU 21.A O no hydrogen 2.774 N/A LYS 39.A N LEU 84.A O no hydrogen 2.925 N/A LYS 39.A NZ GLU 55.A OE1 no hydrogen 2.926 N/A LYS 40.A N SER 19.A O no hydrogen 3.151 N/A LEU 49.A N THR 45.A O no hydrogen 3.057 N/A ARG 50.A N GLU 46.A O no hydrogen 3.044 N/A ASP 51.A N GLU 47.A O no hydrogen 3.077 N/A PHE 52.A N HIS 48.A O no hydrogen 2.913 N/A GLU 53.A N LEU 49.A O no hydrogen 2.842 N/A ARG 54.A N ARG 50.A O no hydrogen 3.167 N/A GLU 55.A N ASP 51.A O no hydrogen 2.874 N/A ILE 56.A N PHE 52.A O no hydrogen 2.818 N/A GLU 57.A N GLU 53.A O no hydrogen 3.099 N/A ILE 58.A N ARG 54.A O no hydrogen 2.927 N/A LEU 59.A N GLU 55.A O no hydrogen 3.042 N/A LYS 60.A N ILE 56.A O no hydrogen 3.026 N/A LYS 60.A NZ GLU 57.A OE1 no hydrogen 3.385 N/A LYS 60.A NZ TYR 70.A OH no hydrogen 3.444 N/A SER 61.A N GLU 57.A O no hydrogen 3.116 N/A SER 61.A N ILE 58.A O no hydrogen 3.126 N/A SER 61.A OG ILE 58.A O no hydrogen 2.804 N/A SER 61.A OG TYR 129.A OH no hydrogen 2.621 N/A LEU 62.A N LEU 59.A O no hydrogen 3.153 N/A GLN 63.A N TYR 123.A OH no hydrogen 3.245 N/A ASN 66.A N HIS 64.A ND1 no hydrogen 3.135 N/A ASN 66.A ND2 VAL 147.A O no hydrogen 3.308 N/A ILE 67.A N HIS 64.A O no hydrogen 3.223 N/A VAL 68.A N ILE 149.A O no hydrogen 3.027 N/A LYS 69.A N GLU 87.A OE2 no hydrogen 2.890 N/A LYS 71.A N ILE 85.A O no hydrogen 2.906 N/A LYS 71.A NZ GLU 34.A OE1 no hydrogen 2.684 N/A LYS 71.A NZ GLU 34.A OE2 no hydrogen 3.136 N/A GLY 72.A N ILE 85.A O no hydrogen 3.199 N/A CYS 74.A N LYS 83.A O no hydrogen 2.920 N/A CYS 74.A SG TYR 75.A O no hydrogen 3.807 N/A SER 76.A OG ALA 77.A O no hydrogen 2.978 N/A ARG 79.A N ALA 77.A O no hydrogen 2.867 N/A ARG 79.A NH1 SER 44.A OG no hydrogen 2.558 N/A LYS 83.A N CYS 74.A O no hydrogen 3.044 N/A LEU 84.A N LYS 39.A O no hydrogen 2.806 N/A ILE 85.A N GLY 72.A O no hydrogen 2.711 N/A MET 86.A N ALA 37.A O no hydrogen 2.883 N/A GLU 87.A N LYS 69.A O no hydrogen 3.186 N/A TYR 91.A N VAL 141.A O no hydrogen 3.355 N/A GLY 92.A N LEU 89.A O no hydrogen 3.339 N/A SER 93.A OG.A ARG 137.A O no hydrogen 3.327 N/A LEU 94.A N ILE 139.A O no hydrogen 2.751 N/A ARG 95.A N THR 136.A O no hydrogen 3.330 N/A ASP 96.A N SER 93.A OG.B no hydrogen 2.673 N/A TYR 97.A N SER 93.A O no hydrogen 2.786 N/A LEU 98.A N LEU 94.A O no hydrogen 2.814 N/A GLN 99.A N ARG 95.A O no hydrogen 3.006 N/A LYS 100.A N ASP 96.A O no hydrogen 3.228 N/A HIS 101.A N TYR 97.A O no hydrogen 3.253 N/A LYS 102.A NZ TYR 205.A O no hydrogen 3.122 N/A ARG 104.A N HIS 101.A O no hydrogen 3.004 N/A ARG 104.A NH1 LYS 100.A O no hydrogen 3.535 N/A ARG 104.A NH2 LYS 100.A O no hydrogen 2.789 N/A ILE 105.A N LYS 102.A O no hydrogen 3.100 N/A LYS 109.A N ASP 106.A OD2 no hydrogen 3.145 N/A LYS 109.A NZ GLN 112.A OE1 no hydrogen 2.869 N/A LYS 109.A NZ GLU 144.A O no hydrogen 3.232 N/A LEU 110.A N ASP 106.A O no hydrogen 3.048 N/A LEU 111.A N HIS 107.A O no hydrogen 3.009 N/A LEU 111.A N ILE 108.A O no hydrogen 3.238 N/A GLN 112.A N ILE 108.A O no hydrogen 3.081 N/A TYR 113.A N LYS 109.A O no hydrogen 3.148 N/A TYR 113.A OH GLU 144.A O no hydrogen 2.350 N/A THR 114.A N LEU 110.A O no hydrogen 3.002 N/A THR 114.A OG1 LEU 110.A O no hydrogen 2.747 N/A SER 115.A N LEU 111.A O no hydrogen 2.830 N/A SER 115.A OG ASP 279.A OD1 no hydrogen 2.584 N/A GLN 116.A N GLN 112.A O no hydrogen 3.149 N/A GLN 116.A NE2 ASN 145.A O no hydrogen 2.971 N/A ILE 117.A N TYR 113.A O no hydrogen 2.810 N/A CYS 118.A N THR 114.A O no hydrogen 3.017 N/A CYS 118.A SG THR 114.A O no hydrogen 3.544 N/A LYS 119.A N SER 115.A O no hydrogen 2.880 N/A LYS 119.A NZ ASP 279.A OD2 no hydrogen 3.100 N/A GLY 120.A N GLN 116.A O no hydrogen 3.023 N/A MET 121.A N ILE 117.A O no hydrogen 2.959 N/A GLU 122.A N CYS 118.A O no hydrogen 2.864 N/A TYR 123.A N LYS 119.A O no hydrogen 3.117 N/A LEU 124.A N GLY 120.A O no hydrogen 3.018 N/A GLY 125.A N MET 121.A O no hydrogen 2.807 N/A THR 126.A N GLU 122.A O no hydrogen 3.126 N/A THR 126.A N TYR 123.A O no hydrogen 3.037 N/A THR 126.A OG1 TYR 123.A O no hydrogen 2.746 N/A LYS 127.A N LEU 124.A O no hydrogen 3.291 N/A ARG 128.A N GLY 125.A O no hydrogen 2.901 N/A ARG 128.A NH1 GLU 163.A OE1 no hydrogen 3.013 N/A ARG 128.A NH1 GLU 163.A OE2 no hydrogen 3.411 N/A ARG 128.A NH2 PRO 159.A O no hydrogen 2.680 N/A ARG 128.A NH2 LYS 162.A O no hydrogen 3.015 N/A TYR 129.A N LEU 124.A O no hydrogen 3.277 N/A TYR 129.A OH SER 61.A OG no hydrogen 2.621 N/A ILE 130.A N LYS 156.A O no hydrogen 2.715 N/A HIS 131.A N ASP 191.A OD2 no hydrogen 2.836 N/A HIS 131.A NE2 GLY 150.A O no hydrogen 2.783 N/A ARG 132.A N ASP 191.A OD1 no hydrogen 2.690 N/A ARG 132.A NH2 LEU 154.A O no hydrogen 3.094 N/A ASP 133.A N HIS 131.A ND1 no hydrogen 3.021 N/A THR 136.A N GLU 201.A OE2 no hydrogen 3.042 N/A THR 136.A OG1 GLU 201.A OE1 no hydrogen 2.625 N/A ASN 138.A N ALA 135.A O no hydrogen 2.965 N/A ASN 138.A ND2 ASP 133.A O no hydrogen 2.736 N/A ILE 139.A N THR 136.A O no hydrogen 3.202 N/A LEU 140.A N LYS 148.A O no hydrogen 2.918 N/A VAL 141.A N GLY 92.A O no hydrogen 2.579 N/A GLU 142.A N ARG 146.A O no hydrogen 2.797 N/A ASN 143.A N ARG 146.A O no hydrogen 3.401 N/A ASN 145.A N ASN 143.A OD1 no hydrogen 2.546 N/A ARG 146.A N ASN 143.A O no hydrogen 3.239 N/A ARG 146.A NE GLU 142.A OE2 no hydrogen 3.062 N/A ARG 146.A NH1 GLU 142.A OE2 no hydrogen 3.354 N/A VAL 147.A N GLN 116.A OE1 no hydrogen 3.053 N/A LYS 148.A N LEU 140.A O no hydrogen 2.792 N/A LYS 148.A NZ GLU 87.A OE1 no hydrogen 3.117 N/A LYS 148.A NZ GLU 87.A OE2 no hydrogen 2.490 N/A ILE 149.A N ASN 66.A O no hydrogen 2.984 N/A GLY 150.A N ASN 138.A O no hydrogen 3.024 N/A THR 155.A N PHE 152.A O no hydrogen 3.044 N/A THR 155.A OG1 PHE 152.A O no hydrogen 3.334 N/A LYS 156.A N ILE 130.A O no hydrogen 2.853 N/A LEU 158.A N ARG 128.A O no hydrogen 2.981 N/A ASP 161.A N ASP 161.A OD2 no hydrogen 2.434 N/A LYS 162.A N PRO 159.A O no hydrogen 3.457 N/A VAL 165.A N SER 184.A O no hydrogen 2.957 N/A SER 171.A OG GLY 169.A O no hydrogen 3.371 N/A TRP 175.A N PRO 172.A O no hydrogen 2.968 N/A TRP 175.A NE1 GLU 201.A OE2 no hydrogen 2.827 N/A TYR 176.A N ILE 173.A O no hydrogen 3.163 N/A GLU 179.A N GLU 179.A OE1 no hydrogen 2.998 N/A SER 180.A N ALA 177.A O no hydrogen 2.905 N/A SER 180.A OG LYS 185.A O no hydrogen 2.775 N/A LEU 181.A N ALA 177.A O no hydrogen 3.041 N/A THR 182.A N PRO 178.A O no hydrogen 2.716 N/A THR 182.A OG1 PRO 178.A O no hydrogen 3.222 N/A GLU 183.A N GLU 179.A O no hydrogen 2.833 N/A SER 184.A N SER 180.A O no hydrogen 2.936 N/A SER 184.A OG VAL 165.A O no hydrogen 2.956 N/A LYS 185.A N GLU 179.A O no hydrogen 3.311 N/A SER 187.A N SER 190.A OG no hydrogen 2.721 N/A SER 190.A OG SER 187.A O no hydrogen 2.834 N/A ASP 191.A N SER 187.A O no hydrogen 3.027 N/A VAL 192.A N VAL 188.A O no hydrogen 2.870 N/A TRP 193.A N ALA 189.A O no hydrogen 2.933 N/A SER 194.A N SER 190.A O no hydrogen 3.067 N/A SER 194.A OG TRP 175.A O no hydrogen 2.767 N/A SER 194.A OG SER 190.A O no hydrogen 3.395 N/A PHE 195.A N ASP 191.A O no hydrogen 2.821 N/A GLY 196.A N VAL 192.A O no hydrogen 2.961 N/A VAL 197.A N TRP 193.A O no hydrogen 3.313 N/A VAL 198.A N SER 194.A O no hydrogen 2.908 N/A LEU 199.A N PHE 195.A O no hydrogen 3.000 N/A TYR 200.A N GLY 196.A O no hydrogen 3.106 N/A TYR 200.A OH LYS 210.A O no hydrogen 2.715 N/A GLU 201.A N VAL 197.A O no hydrogen 2.844 N/A LEU 202.A N VAL 198.A O no hydrogen 2.916 N/A PHE 203.A N LEU 199.A O no hydrogen 3.062 N/A THR 204.A N TYR 200.A O no hydrogen 2.922 N/A THR 204.A N GLU 201.A O no hydrogen 3.330 N/A THR 204.A OG1 TYR 200.A O no hydrogen 3.390 N/A THR 204.A OG1 GLU 201.A O no hydrogen 2.766 N/A TYR 205.A N LEU 202.A O no hydrogen 3.129 N/A TYR 205.A OH ILE 105.A O no hydrogen 2.823 N/A ILE 206.A N GLU 201.A O no hydrogen 3.423 N/A GLU 207.A N THR 204.A O no hydrogen 3.054 N/A LYS 210.A N GLU 207.A O no hydrogen 2.896 N/A SER 211.A N LYS 208.A O no hydrogen 3.111 N/A SER 211.A OG LYS 208.A O no hydrogen 3.458 N/A ALA 214.A N SER 211.A OG no hydrogen 3.384 N/A GLU 215.A N SER 211.A O no hydrogen 3.075 N/A PHE 216.A N PRO 212.A O no hydrogen 2.994 N/A MET 217.A N PRO 213.A O no hydrogen 2.852 N/A ARG 218.A N ALA 214.A O no hydrogen 2.968 N/A ARG 218.A NH2 GLU 215.A OE1 no hydrogen 3.017 N/A MET 219.A N GLU 215.A O no hydrogen 2.788 N/A ILE 220.A N PHE 216.A O no hydrogen 2.685 N/A GLY 221.A N ARG 218.A O no hydrogen 3.325 N/A LYS 224.A N GLY 221.A O no hydrogen 3.217 N/A LYS 224.A NZ ILE 220.A O no hydrogen 2.887 N/A LYS 224.A NZ ASP 223.A OD1 no hydrogen 3.417 N/A LYS 224.A NZ ASP 223.A OD2 no hydrogen 3.172 N/A MET 228.A N GLN 225.A O no hydrogen 3.213 N/A ILE 229.A N GLY 226.A O no hydrogen 2.938 N/A PHE 231.A N GLN 227.A O no hydrogen 3.177 N/A HIS 232.A N MET 228.A O no hydrogen 3.071 N/A LEU 233.A N ILE 229.A O no hydrogen 2.783 N/A ILE 234.A N VAL 230.A O no hydrogen 2.968 N/A GLU 235.A N PHE 231.A O no hydrogen 3.409 N/A LEU 236.A N HIS 232.A O no hydrogen 2.903 N/A LEU 237.A N LEU 233.A O no hydrogen 2.913 N/A LYS 238.A N ILE 234.A O no hydrogen 2.863 N/A LYS 238.A NZ GLU 235.A OE1 no hydrogen 3.316 N/A LYS 238.A NZ GLU 235.A OE2 no hydrogen 3.116 N/A ASN 239.A N GLU 235.A O no hydrogen 3.107 N/A ASN 239.A N LEU 236.A O no hydrogen 3.044 N/A ASN 240.A N LEU 237.A O no hydrogen 3.121 N/A GLY 241.A N LEU 236.A O no hydrogen 2.951 N/A ARG 242.A NE TRP 261.A O no hydrogen 2.789 N/A ARG 242.A NH1 LEU 237.A O no hydrogen 3.409 N/A ARG 242.A NH1 GLY 241.A O no hydrogen 2.772 N/A ARG 242.A NH2 TRP 261.A O no hydrogen 2.622 N/A CYS 249.A N PRO 246.A O no hydrogen 2.958 N/A CYS 249.A SG PRO 250.A O no hydrogen 3.395 N/A GLU 252.A N GLU 252.A OE1 no hydrogen 2.732 N/A ILE 253.A N PRO 250.A O no hydrogen 3.119 N/A TYR 254.A N PRO 250.A O no hydrogen 3.272 N/A TYR 254.A OH LEU 243.A O no hydrogen 3.324 N/A MET 255.A N ASP 251.A O no hydrogen 3.063 N/A MET 257.A N ILE 253.A O no hydrogen 3.213 N/A THR 258.A N TYR 254.A O no hydrogen 3.043 N/A THR 258.A OG1 MET 255.A O no hydrogen 2.696 N/A GLU 259.A N MET 255.A O no hydrogen 2.921 N/A CYS 260.A N ILE 256.A O no hydrogen 2.759 N/A CYS 260.A SG ILE 256.A O no hydrogen 3.275 N/A TRP 261.A N MET 257.A O no hydrogen 2.963 N/A ASN 263.A ND2 LEU 237.A O no hydrogen 3.651 N/A ASN 264.A N ASN 262.A OD1 no hydrogen 3.040 N/A GLN 267.A N ASN 264.A O no hydrogen 2.919 N/A ARG 268.A N VAL 265.A O no hydrogen 3.132 N/A ARG 268.A NE ASN 262.A O no hydrogen 2.905 N/A ARG 268.A NH1 GLU 179.A OE2 no hydrogen 2.892 N/A ARG 268.A NH2 GLU 179.A OE1 no hydrogen 2.910 N/A ARG 268.A NH2 ASN 262.A O no hydrogen 2.997 N/A ASP 273.A N SER 270.A OG no hydrogen 3.047 N/A LEU 274.A N SER 270.A O no hydrogen 3.025 N/A ALA 275.A N PHE 271.A O no hydrogen 3.006 N/A LEU 276.A N ARG 272.A O no hydrogen 3.182 N/A ARG 277.A N ASP 273.A O no hydrogen 2.791 N/A ARG 277.A NH1 GLU 259.A OE2 no hydrogen 2.788 N/A ARG 277.A NH2 GLU 259.A OE2 no hydrogen 2.680 N/A VAL 278.A N LEU 274.A O no hydrogen 2.858 N/A ASP 279.A N ALA 275.A O no hydrogen 2.899 N/A GLN 280.A N LEU 276.A O no hydrogen 3.039 N/A GLN 280.A NE2 GLN 280.A O no hydrogen 3.315 N/A ILE 281.A N ARG 277.A O no hydrogen 2.925 N/A ARG 282.A N VAL 278.A O no hydrogen 3.035 N/A ARG 282.A NH1 ASP 279.A OD1 no hydrogen 2.940 N/A ASP 283.A N ASP 279.A O no hydrogen 2.942 N/A ASN 284.A N GLN 280.A O no hydrogen 3.051 N/A MET 285.A N ILE 281.A O no hydrogen 3.186 N/A