Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ckl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N ASN 141.A O no hydrogen 2.723 N/A ARG 4.A NH1 ASP 137.A O no hydrogen 2.729 N/A ARG 4.A NH1 GLN 143.A O no hydrogen 2.933 N/A ARG 4.A NH2 ASP 137.A O no hydrogen 2.974 N/A LYS 8.A N MET 15.A O no hydrogen 2.885 N/A VAL 10.A N TYR 13.A O no hydrogen 2.771 N/A HIS 11.A NE2 GLU 27.A OE2 no hydrogen 2.781 N/A TYR 13.A N VAL 10.A O no hydrogen 2.904 N/A TYR 13.A OH ASP 106.A OD1 no hydrogen 3.154 N/A TYR 13.A OH ASP 106.A OD2 no hydrogen 2.777 N/A MET 15.A N LYS 8.A O no hydrogen 2.726 N/A THR 16.A OG1 GLN 143.A OE1 no hydrogen 2.681 N/A PHE 19.A N THR 16.A O no hydrogen 2.982 N/A ALA 20.A N THR 16.A O no hydrogen 3.221 N/A ALA 20.A N CYS 17.A O no hydrogen 3.104 N/A GLU 24.A N GLU 24.A OE2 no hydrogen 2.853 N/A LYS 25.A N ASN 22.A O no hydrogen 3.191 N/A GLU 27.A N TRP 23.A O no hydrogen 3.111 N/A GLN 28.A N GLU 24.A O no hydrogen 3.061 N/A PHE 29.A N ILE 26.A O no hydrogen 3.036 N/A SER 31.A N SER 111.A OG.A no hydrogen 3.304 N/A SER 31.A N SER 111.A OG.B no hydrogen 3.104 N/A SER 31.A OG SER 111.A O.B no hydrogen 2.837 N/A SER 31.A OG SER 111.A OG.A no hydrogen 3.010 N/A SER 31.A OG SER 111.A OG.B no hydrogen 3.274 N/A SER 31.A OG ASN 115.A OD1 no hydrogen 2.743 N/A ARG 32.A N ASP 35.A OD2 no hydrogen 2.875 N/A ARG 32.A NH1 ASN 93.A O no hydrogen 3.199 N/A ARG 32.A NH2 ASN 93.A O no hydrogen 3.031 N/A ARG 32.A NH2 SER 95.A OG no hydrogen 2.740 N/A ASP 35.A N ARG 32.A O no hydrogen 3.036 N/A ILE 36.A N ARG 97.A O no hydrogen 2.776 N/A VAL 37.A N LYS 118.A O no hydrogen 3.059 N/A ILE 38.A N VAL 99.A O no hydrogen 2.658 N/A ALA 39.A N ILE 120.A O no hydrogen 2.812 N/A THR 40.A N THR 101.A O no hydrogen 3.152 N/A THR 40.A OG1 TYR 41.A O no hydrogen 3.335 N/A THR 40.A OG1 THR 46.A OG1 no hydrogen 2.573 N/A THR 40.A OG1 HIS 102.A ND1 no hydrogen 3.015 N/A TYR 41.A OH GLY 164.A O no hydrogen 2.658 N/A SER 44.A OG TYR 41.A O no hydrogen 2.828 N/A SER 44.A OG PRO 42.A O no hydrogen 3.555 N/A THR 46.A OG1 THR 40.A OG1 no hydrogen 2.573 N/A VAL 49.A N GLY 45.A O no hydrogen 2.974 N/A SER 50.A N THR 46.A O no hydrogen 2.795 N/A SER 50.A OG THR 46.A O no hydrogen 2.725 N/A GLU 51.A N THR 47.A O no hydrogen 3.150 N/A ILE 52.A N TRP 48.A O no hydrogen 3.244 N/A ILE 53.A N VAL 49.A O no hydrogen 2.991 N/A ASP 54.A N SER 50.A O no hydrogen 3.027 N/A MET 55.A N GLU 51.A O no hydrogen 2.969 N/A ILE 56.A N ILE 52.A O no hydrogen 2.963 N/A LEU 57.A N ILE 53.A O no hydrogen 2.881 N/A ASN 58.A N ASP 54.A O no hydrogen 3.006 N/A ASN 58.A N MET 55.A O no hydrogen 3.177 N/A ASN 58.A ND2 ASP 54.A O no hydrogen 2.933 N/A ASP 59.A N ILE 56.A O no hydrogen 2.839 N/A GLY 60.A N MET 55.A O no hydrogen 2.685 N/A ASP 61.A N ASN 58.A O no hydrogen 2.822 N/A LYS 64.A N ASP 61.A OD1 no hydrogen 3.290 N/A CYS 65.A N ASP 61.A O no hydrogen 3.226 N/A CYS 65.A SG ASP 54.A OD2 no hydrogen 3.419 N/A CYS 65.A SG ASP 61.A O no hydrogen 3.512 N/A LYS 66.A N ILE 62.A O no hydrogen 3.038 N/A LYS 66.A N GLU 63.A O no hydrogen 3.158 N/A ARG 67.A N LYS 64.A O no hydrogen 3.089 N/A ARG 67.A NH1 ASP 54.A OD1 no hydrogen 3.238 N/A ARG 67.A NH1 ASP 54.A OD2 no hydrogen 3.001 N/A ARG 67.A NH1 LYS 64.A O no hydrogen 3.103 N/A ARG 67.A NH2 ASP 54.A OD1 no hydrogen 2.892 N/A ILE 70.A N LEU 231.A O no hydrogen 2.714 N/A THR 71.A OG1 GLU 72.A OE1 no hydrogen 3.480 N/A THR 71.A OG1 GLU 72.A OE2 no hydrogen 2.650 N/A THR 71.A OG1 HIS 236.A NE2 no hydrogen 2.882 N/A GLU 72.A N PHE 69.A O no hydrogen 2.946 N/A LYS 73.A N PHE 69.A O no hydrogen 3.177 N/A LYS 73.A NZ GLU 51.A OE1 no hydrogen 2.629 N/A LYS 73.A NZ GLU 51.A OE2 no hydrogen 3.409 N/A LYS 73.A NZ ASP 54.A OD2 no hydrogen 2.658 N/A LYS 73.A NZ CYS 65.A O no hydrogen 2.905 N/A VAL 74.A N ILE 70.A O no hydrogen 2.832 N/A LEU 77.A N LYS 100.A O no hydrogen 2.846 N/A GLU 78.A N GLU 78.A OE1 no hydrogen 2.895 N/A MET 79.A N MET 76.A O no hydrogen 3.078 N/A THR 80.A OG1.A ALA 18.A O no hydrogen 3.095 N/A SER 85.A N GLU 88.A OE1 no hydrogen 3.126 N/A SER 85.A OG GLU 88.A OE1 no hydrogen 3.193 N/A GLY 86.A N MET 79.A O no hydrogen 2.917 N/A GLU 88.A N SER 85.A OG no hydrogen 3.052 N/A GLN 89.A N SER 85.A O no hydrogen 3.057 N/A GLN 89.A NE2 ASN 93.A OD1 no hydrogen 3.010 N/A LEU 90.A N GLY 86.A O no hydrogen 2.847 N/A GLU 91.A N ILE 87.A O no hydrogen 2.924 N/A LYS 92.A N GLN 89.A O no hydrogen 2.950 N/A LYS 92.A NZ GLN 89.A OE1 no hydrogen 2.489 N/A ASN 93.A N LEU 90.A O no hydrogen 3.134 N/A ASN 93.A ND2 GLU 72.A O no hydrogen 2.946 N/A ARG 97.A NE ASP 35.A OD1 no hydrogen 2.871 N/A ARG 97.A NH1 LEU 90.A O no hydrogen 3.019 N/A ARG 97.A NH2 HIS 30.A O no hydrogen 3.242 N/A ARG 97.A NH2 ASP 35.A OD1 no hydrogen 3.373 N/A ARG 97.A NH2 ASP 35.A OD2 no hydrogen 2.846 N/A VAL 99.A N ILE 36.A O no hydrogen 2.823 N/A LYS 100.A N PRO 75.A O no hydrogen 3.090 N/A THR 101.A N ILE 38.A O no hydrogen 2.913 N/A THR 101.A OG1 GLU 78.A OE1 no hydrogen 2.529 N/A THR 101.A OG1 GLU 78.A OE2 no hydrogen 3.476 N/A HIS 102.A N GLU 78.A OE2 no hydrogen 2.870 N/A HIS 102.A ND1 THR 40.A O no hydrogen 2.833 N/A LEU 103.A N THR 101.A OG1 no hydrogen 3.115 N/A THR 105.A OG1 ASP 106.A OD1 no hydrogen 3.561 N/A LEU 107.A N PRO 104.A O no hydrogen 2.900 N/A LEU 108.A N PRO 104.A O no hydrogen 3.274 N/A SER 111.A OG.A SER 31.A OG no hydrogen 3.010 N/A SER 111.A OG.A ASN 115.A OD1 no hydrogen 3.505 N/A SER 111.A OG.B PHE 29.A O no hydrogen 2.856 N/A SER 111.A OG.B SER 31.A OG no hydrogen 3.274 N/A PHE 112.A N PRO 109.A O no hydrogen 3.146 N/A TRP 113.A N LYS 110.A O no hydrogen 3.061 N/A GLU 114.A N LYS 110.A O no hydrogen 3.038 N/A ASN 115.A N SER 111.A O.A no hydrogen 2.707 N/A ASN 115.A N SER 111.A O.B no hydrogen 2.976 N/A ASN 116.A N TRP 113.A O no hydrogen 2.994 N/A CYS 117.A N PHE 112.A O no hydrogen 3.138 N/A CYS 117.A SG ARG 32.A O no hydrogen 3.215 N/A CYS 117.A SG PHE 112.A O no hydrogen 3.724 N/A LYS 118.A NZ PHE 204.A O no hydrogen 2.692 N/A LYS 118.A NZ GLU 206.A OE1 no hydrogen 2.774 N/A MET 119.A N PRO 181.A O no hydrogen 3.030 N/A ILE 120.A N VAL 37.A O no hydrogen 2.797 N/A TYR 121.A N LEU 183.A O no hydrogen 2.827 N/A TYR 121.A OH HIS 169.A ND1 no hydrogen 2.666 N/A LEU 122.A N ALA 39.A O no hydrogen 2.987 N/A ALA 123.A N LEU 185.A O no hydrogen 2.886 N/A ARG 124.A NH1 LYS 43.A O no hydrogen 3.012 N/A ARG 124.A NH2 THR 254.A O no hydrogen 3.091 N/A ASN 125.A N GLU 188.A OE2 no hydrogen 2.858 N/A ASN 125.A ND2 ASP 128.A OD2 no hydrogen 2.936 N/A ASN 125.A ND2 GLU 188.A OE2 no hydrogen 2.899 N/A ASN 125.A ND2 ARG 286.A O no hydrogen 3.182 N/A LYS 127.A NZ ASN 267.A OD1 no hydrogen 2.801 N/A LYS 127.A NZ ASP 271.A OD1 no hydrogen 2.836 N/A ASP 128.A N ASN 125.A OD1 no hydrogen 2.974 N/A VAL 129.A N ASN 125.A O no hydrogen 3.078 N/A SER 130.A N ALA 126.A O no hydrogen 3.003 N/A SER 130.A OG LYS 127.A O no hydrogen 2.658 N/A VAL 131.A N LYS 127.A O no hydrogen 3.227 N/A SER 132.A N ASP 128.A O no hydrogen 2.861 N/A TYR 133.A N VAL 129.A O no hydrogen 2.858 N/A TYR 133.A OH ALA 162.A O no hydrogen 2.749 N/A TYR 134.A N SER 130.A O no hydrogen 2.910 N/A TYR 134.A OH GLY 147.A O no hydrogen 3.338 N/A HIS 135.A N VAL 131.A O no hydrogen 3.170 N/A HIS 135.A ND1 VAL 131.A O no hydrogen 2.801 N/A PHE 136.A N SER 132.A O no hydrogen 2.968 N/A ASP 137.A N TYR 133.A O no hydrogen 2.978 N/A LEU 138.A N TYR 134.A O no hydrogen 3.378 N/A LEU 138.A N HIS 135.A O no hydrogen 3.217 N/A MET 139.A N PHE 136.A O no hydrogen 3.124 N/A ASN 140.A N PHE 136.A O no hydrogen 2.849 N/A ASN 141.A N VAL 241.A O no hydrogen 2.893 N/A ASN 141.A ND2 THR 240.A O no hydrogen 2.887 N/A LEU 142.A N ASN 140.A OD1 no hydrogen 3.012 N/A GLN 143.A N ASN 140.A O no hydrogen 3.108 N/A GLN 143.A NE2 ASP 137.A OD1 no hydrogen 2.873 N/A THR 148.A N GLU 151.A OE1 no hydrogen 2.968 N/A THR 148.A OG1 GLU 151.A OE1 no hydrogen 3.413 N/A TRP 149.A NE1 GLN 266.A OE1 no hydrogen 2.952 N/A GLU 151.A N THR 148.A OG1 no hydrogen 3.256 N/A TYR 152.A N THR 148.A O no hydrogen 2.996 N/A LEU 153.A N TRP 149.A O no hydrogen 2.933 N/A LYS 155.A N GLU 151.A O no hydrogen 3.287 N/A PHE 156.A N TYR 152.A O no hydrogen 2.793 N/A LEU 157.A N LEU 153.A O no hydrogen 2.864 N/A THR 158.A N GLU 154.A O no hydrogen 3.206 N/A THR 158.A OG1 GLU 154.A O no hydrogen 3.024 N/A THR 158.A OG1 LYS 155.A O no hydrogen 3.314 N/A GLY 159.A N PHE 156.A O no hydrogen 3.170 N/A LYS 160.A N LYS 155.A O no hydrogen 2.967 N/A TYR 163.A N PRO 14.A O no hydrogen 2.755 N/A TYR 163.A OH GLU 78.A OE2 no hydrogen 2.615 N/A GLY 164.A N VAL 161.A O no hydrogen 3.012 N/A HIS 169.A N SER 165.A O no hydrogen 3.025 N/A HIS 169.A ND1 TYR 121.A OH no hydrogen 2.666 N/A HIS 169.A NE2 HIS 102.A O no hydrogen 2.569 N/A VAL 170.A N TRP 166.A O no hydrogen 2.956 N/A LYS 171.A N PHE 167.A O no hydrogen 2.960 N/A LYS 171.A NZ GLU 277.A O no hydrogen 2.896 N/A ASN 172.A N THR 168.A O no hydrogen 2.814 N/A TRP 173.A N HIS 169.A O no hydrogen 3.053 N/A TRP 173.A NE1 LEU 103.A O no hydrogen 3.125 N/A TRP 174.A N VAL 170.A O no hydrogen 2.998 N/A LYS 175.A N LYS 171.A O no hydrogen 3.087 N/A LYS 176.A N TRP 173.A O no hydrogen 3.004 N/A LYS 176.A NZ HIS 180.A NE2 no hydrogen 3.566 N/A LYS 177.A N TRP 174.A O no hydrogen 3.237 N/A GLU 179.A N LYS 176.A O no hydrogen 3.369 N/A LEU 183.A N MET 119.A O no hydrogen 2.710 N/A LEU 185.A N TYR 121.A O no hydrogen 2.936 N/A TYR 187.A N ALA 123.A O no hydrogen 2.818 N/A MET 190.A N TYR 186.A O no hydrogen 3.154 N/A LYS 191.A N TYR 187.A O no hydrogen 2.924 N/A LYS 191.A NZ GLY 253.A O no hydrogen 2.703 N/A GLU 192.A N GLU 188.A O no hydrogen 2.960 N/A ASN 193.A N ASP 189.A O no hydrogen 2.748 N/A GLU 196.A N ASN 193.A OD1 no hydrogen 3.268 N/A GLU 197.A N ASN 193.A O no hydrogen 3.176 N/A ILE 198.A N PRO 194.A O no hydrogen 2.838 N/A LYS 199.A N LYS 195.A O no hydrogen 3.010 N/A LYS 200.A N GLU 196.A O no hydrogen 3.035 N/A LYS 200.A NZ GLU 197.A OE1 no hydrogen 3.496 N/A LYS 200.A NZ GLU 197.A OE2 no hydrogen 2.718 N/A ILE 201.A N GLU 197.A O no hydrogen 3.131 N/A ILE 202.A N ILE 198.A O no hydrogen 2.883 N/A ARG 203.A N LYS 199.A O no hydrogen 3.069 N/A PHE 204.A N LYS 200.A O no hydrogen 3.049 N/A LEU 205.A N ILE 201.A O no hydrogen 2.960 N/A GLU 206.A N ARG 203.A O no hydrogen 2.891 N/A LYS 207.A N ILE 202.A O no hydrogen 2.994 N/A LYS 207.A NZ ASP 59.A OD1 no hydrogen 2.458 N/A ILE 213.A N ASN 210.A OD1 no hydrogen 2.960 N/A LEU 214.A N ASN 210.A O no hydrogen 3.011 N/A ASP 215.A N ASP 211.A O no hydrogen 3.049 N/A ARG 216.A N GLU 212.A O no hydrogen 3.131 N/A ARG 216.A NH1 GLY 60.A O no hydrogen 3.013 N/A ILE 217.A N ILE 213.A O no hydrogen 2.842 N/A ILE 218.A N LEU 214.A O no hydrogen 2.974 N/A HIS 219.A N ASP 215.A O no hydrogen 2.956 N/A HIS 220.A N ARG 216.A O no hydrogen 2.830 N/A HIS 220.A NE2 GLU 51.A OE2 no hydrogen 2.715 N/A THR 221.A N ILE 217.A O no hydrogen 2.961 N/A THR 221.A OG1 ILE 217.A O no hydrogen 2.691 N/A SER 222.A N HIS 219.A O no hydrogen 3.382 N/A SER 222.A OG HIS 219.A O no hydrogen 2.848 N/A VAL 225.A N SER 222.A O no hydrogen 3.143 N/A MET 226.A N SER 222.A O no hydrogen 2.985 N/A LYS 227.A N PHE 223.A O no hydrogen 2.843 N/A LYS 227.A NZ ASP 228.A OD2 no hydrogen 3.213 N/A ASP 228.A N VAL 225.A O no hydrogen 3.203 N/A ASN 229.A N MET 226.A O no hydrogen 3.028 N/A LEU 231.A N ASN 229.A OD1 no hydrogen 2.911 N/A VAL 232.A N ASN 229.A O no hydrogen 3.164 N/A ASN 233.A N ASN 229.A O no hydrogen 3.046 N/A ASN 233.A ND2 LYS 227.A O no hydrogen 2.730 N/A THR 235.A N ASN 233.A OD1 no hydrogen 3.157 N/A THR 235.A OG1 ASN 233.A OD1 no hydrogen 2.608 N/A HIS 236.A NE2 THR 71.A OG1 no hydrogen 2.882 N/A VAL 241.A N PRO 238.A O no hydrogen 2.836 N/A MET 242.A N PRO 238.A O no hydrogen 3.036 N/A ASP 243.A N MET 139.A O no hydrogen 2.862 N/A HIS 244.A NE2 TYR 234.A O no hydrogen 2.686 N/A SER 245.A N ASP 243.A OD1 no hydrogen 3.130 N/A SER 245.A OG ASP 243.A OD1 no hydrogen 2.677 N/A SER 245.A OG ASP 243.A OD2 no hydrogen 3.260 N/A LYS 246.A N ASP 243.A O no hydrogen 3.205 N/A ARG 251.A NH1 ASP 257.A OD2 no hydrogen 2.899 N/A ARG 251.A NH2 ASP 257.A OD2 no hydrogen 2.981 N/A THR 254.A OG1 LYS 252.A O no hydrogen 3.250 N/A GLY 256.A N ASP 128.A OD2 no hydrogen 2.833 N/A TRP 258.A N ASP 128.A OD1 no hydrogen 2.806 N/A TRP 258.A NE1 THR 287.A O no hydrogen 2.785 N/A LYS 259.A N GLY 256.A O no hydrogen 3.060 N/A LYS 259.A NZ GLU 288.A OE2 no hydrogen 2.559 N/A ASN 260.A N ASP 257.A O no hydrogen 3.009 N/A ASN 260.A ND2 ASP 257.A O no hydrogen 3.233 N/A ASN 260.A ND2 ASP 257.A OD1 no hydrogen 3.081 N/A TYR 261.A N TRP 258.A O no hydrogen 3.077 N/A PHE 262.A N TRP 258.A O no hydrogen 3.057 N/A THR 263.A N GLN 266.A OE1 no hydrogen 3.187 N/A GLN 266.A N THR 263.A OG1 no hydrogen 3.175 N/A ASN 267.A N THR 263.A O no hydrogen 2.861 N/A GLU 268.A N VAL 264.A O no hydrogen 2.937 N/A LYS 269.A N ALA 265.A O no hydrogen 3.184 N/A PHE 270.A N GLN 266.A O no hydrogen 2.867 N/A ASP 271.A N ASN 267.A O no hydrogen 2.860 N/A ALA 272.A N GLU 268.A O no hydrogen 3.231 N/A ILE 273.A N LYS 269.A O no hydrogen 3.227 N/A TYR 274.A N PHE 270.A O no hydrogen 2.774 N/A GLU 275.A N ASP 271.A O no hydrogen 2.862 N/A THR 276.A N ALA 272.A O no hydrogen 3.220 N/A THR 276.A OG1 ALA 272.A O no hydrogen 3.264 N/A GLU 277.A N ILE 273.A O no hydrogen 2.984 N/A MET 278.A N TYR 274.A O no hydrogen 2.838 N/A SER 279.A N GLU 275.A O no hydrogen 2.927 N/A SER 279.A OG GLU 275.A O no hydrogen 2.937 N/A THR 281.A N MET 278.A O no hydrogen 3.138 N/A THR 281.A OG1 MET 278.A O no hydrogen 3.106 N/A LEU 283.A N THR 281.A OG1 no hydrogen 3.356 N/A ARG 286.A NH1 GLU 192.A OE1 no hydrogen 3.119 N/A ARG 286.A NH2 ASP 189.A OD1 no hydrogen 2.836 N/A ARG 286.A NH2 GLU 192.A OE1 no hydrogen 2.878 N/A