Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kke_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N ASP 57.A OD2 no hydrogen 3.078 N/A THR 1.A OG1 ARG 55.A O no hydrogen 3.195 N/A ILE 2.A N ASP 31.A O no hydrogen 2.842 N/A GLY 3.A N GLY 58.A O no hydrogen 2.836 N/A LEU 4.A N LEU 33.A O no hydrogen 2.753 N/A ILE 5.A N LEU 60.A O no hydrogen 2.793 N/A VAL 6.A N GLY 35.A O no hydrogen 2.755 N/A VAL 9.A N GLN 36.A OE1 no hydrogen 3.046 N/A ASN 10.A N ASP 8.A OD1 no hydrogen 2.521 N/A ASN 11.A N ASP 8.A O no hydrogen 3.229 N/A PHE 14.A N ASN 11.A O no hydrogen 3.056 N/A MET 17.A N VAL 13.A O no hydrogen 3.108 N/A PHE 18.A N PHE 14.A O no hydrogen 2.736 N/A SER 19.A N ALA 15.A O no hydrogen 3.070 N/A SER 19.A OG ALA 15.A O no hydrogen 3.423 N/A SER 19.A OG ASP 16.A O no hydrogen 2.781 N/A GLY 20.A N ASP 16.A O no hydrogen 3.137 N/A VAL 21.A N MET 17.A O no hydrogen 2.957 N/A GLN 22.A N PHE 18.A O no hydrogen 2.701 N/A MET 23.A N SER 19.A O no hydrogen 2.967 N/A ALA 24.A N GLY 20.A O no hydrogen 3.106 N/A ALA 25.A N VAL 21.A O no hydrogen 2.881 N/A SER 26.A N GLN 22.A O no hydrogen 2.792 N/A SER 26.A OG GLN 22.A O no hydrogen 3.045 N/A GLY 27.A N MET 23.A O no hydrogen 3.207 N/A HIS 28.A N ALA 25.A O no hydrogen 2.973 N/A SER 29.A N SER 26.A O no hydrogen 2.872 N/A THR 30.A N ALA 25.A O no hydrogen 2.950 N/A THR 30.A OG1 HIS 28.A O no hydrogen 3.349 N/A LEU 33.A N ILE 2.A O no hydrogen 2.872 N/A GLY 35.A N LEU 4.A O no hydrogen 2.841 N/A ILE 37.A N VAL 6.A O no hydrogen 3.039 N/A ASP 38.A N GLN 46.A OE1 no hydrogen 3.502 N/A GLY 43.A N ALA 39.A O no hydrogen 2.715 N/A THR 44.A N PRO 41.A O no hydrogen 2.977 N/A GLN 46.A N ARG 42.A O no hydrogen 2.935 N/A GLN 46.A NE2 ARG 42.A O no hydrogen 2.669 N/A LEU 47.A N GLY 43.A O no hydrogen 3.248 N/A SER 48.A N THR 44.A O no hydrogen 2.795 N/A SER 48.A OG THR 44.A O no hydrogen 3.233 N/A ARG 49.A N GLN 45.A O no hydrogen 2.804 N/A LEU 50.A N GLN 46.A O no hydrogen 2.663 N/A VAL 51.A N LEU 47.A O no hydrogen 2.679 N/A SER 52.A N SER 48.A O no hydrogen 2.841 N/A GLU 53.A N ARG 49.A O no hydrogen 2.851 N/A ASP 57.A N THR 1.A O no hydrogen 3.019 N/A VAL 59.A N PRO 80.A O no hydrogen 3.027 N/A LEU 60.A N GLY 3.A O no hydrogen 2.703 N/A LEU 61.A N VAL 82.A O no hydrogen 2.956 N/A GLN 62.A N ILE 5.A O no hydrogen 3.027 N/A GLN 62.A NE2 ASN 11.A OD1 no hydrogen 3.085 N/A ARG 63.A NE SER 86.A OG no hydrogen 2.995 N/A ARG 63.A NH1 PHE 67.A O no hydrogen 2.775 N/A ARG 63.A NH1 ASP 69.A OD1 no hydrogen 2.924 N/A ARG 63.A NH2 ASP 69.A OD1 no hydrogen 2.722 N/A ARG 63.A NH2 ASP 128.A OD1 no hydrogen 3.092 N/A ARG 64.A NE ASP 66.A OD1 no hydrogen 2.801 N/A ARG 64.A NH1 PRO 7.A O no hydrogen 3.499 N/A ARG 64.A NH1 ILE 37.A O no hydrogen 2.883 N/A ARG 64.A NH2 ASP 66.A OD2 no hydrogen 2.737 N/A PHE 67.A N ARG 64.A O no hydrogen 3.128 N/A MET 71.A N ASP 68.A OD1 no hydrogen 2.862 N/A LEU 72.A N ASP 68.A O no hydrogen 3.280 N/A ALA 73.A N ASP 69.A O no hydrogen 2.996 N/A ALA 74.A N ASP 70.A O no hydrogen 3.387 N/A LEU 76.A N LEU 72.A O no hydrogen 2.902 N/A VAL 79.A N LEU 76.A O no hydrogen 3.136 N/A VAL 82.A N VAL 59.A O no hydrogen 2.978 N/A THR 83.A N GLY 93.A O no hydrogen 2.938 N/A THR 83.A OG1 SER 86.A O no hydrogen 2.615 N/A THR 83.A OG1 GLY 93.A O no hydrogen 3.416 N/A ILE 84.A N LEU 61.A O no hydrogen 2.847 N/A ASN 85.A N VAL 95.A O no hydrogen 2.832 N/A SER 86.A OG ASP 128.A OD1 no hydrogen 2.578 N/A ARG 87.A N ASP 128.A OD2 no hydrogen 2.968 N/A ARG 91.A NH1 GLY 93.A O no hydrogen 2.751 N/A ARG 91.A NH2 ALA 81.A O no hydrogen 2.917 N/A GLY 93.A N ASP 258.A OD1 no hydrogen 2.936 N/A SER 94.A N THR 257.A O no hydrogen 2.935 N/A SER 94.A OG ASP 258.A OD1 no hydrogen 2.532 N/A VAL 95.A N THR 83.A O no hydrogen 2.835 N/A ILE 96.A N THR 259.A O no hydrogen 3.128 N/A ASP 99.A N LEU 97.A O no hydrogen 2.842 N/A GLY 102.A N ASP 98.A O no hydrogen 2.967 N/A GLY 103.A N ASP 99.A O no hydrogen 2.916 N/A GLY 104.A N GLN 100.A O no hydrogen 2.828 N/A ILE 105.A N LYS 101.A O no hydrogen 2.866 N/A ALA 106.A N GLY 102.A O no hydrogen 3.098 N/A THR 107.A N GLY 103.A O no hydrogen 3.032 N/A THR 107.A OG1 GLY 103.A O no hydrogen 2.788 N/A GLU 108.A N GLY 104.A O no hydrogen 2.755 N/A HIS 109.A N ILE 105.A O no hydrogen 3.111 N/A HIS 109.A NE2 THR 274.A OG1 no hydrogen 3.085 N/A LEU 110.A N ALA 106.A O no hydrogen 3.430 N/A ILE 111.A N THR 107.A O no hydrogen 3.019 N/A THR 112.A N GLU 108.A O no hydrogen 3.006 N/A THR 112.A OG1 GLU 108.A O no hydrogen 2.962 N/A LEU 113.A N HIS 109.A O no hydrogen 3.295 N/A GLY 114.A N ILE 111.A O no hydrogen 3.152 N/A HIS 115.A N LEU 110.A O no hydrogen 3.044 N/A HIS 115.A ND1 THR 183.A OG1 no hydrogen 2.697 N/A HIS 115.A NE2 ALA 275.A O no hydrogen 2.637 N/A ARG 117.A NE ASP 180.A O no hydrogen 3.126 N/A ARG 117.A NE GLY 181.A O no hydrogen 2.782 N/A ARG 117.A NH2 GLY 181.A O no hydrogen 2.761 N/A ALA 119.A N ALA 184.A O no hydrogen 2.838 N/A PHE 120.A N TRP 152.A O no hydrogen 2.793 N/A ILE 121.A N VAL 186.A O no hydrogen 2.907 N/A SER 122.A N VAL 154.A O no hydrogen 2.832 N/A SER 122.A OG GLY 123.A O no hydrogen 3.561 N/A SER 122.A OG ALA 130.A O no hydrogen 3.495 N/A THR 124.A OG1 GLU 65.A O no hydrogen 2.844 N/A HIS 127.A N THR 124.A O no hydrogen 3.328 N/A HIS 127.A N THR 124.A OG1 no hydrogen 3.244 N/A THR 129.A N HIS 127.A ND1 no hydrogen 3.332 N/A THR 129.A OG1 ASN 85.A O no hydrogen 2.596 N/A GLN 131.A N HIS 127.A O no hydrogen 3.238 N/A GLN 131.A NE2 ALA 125.A O no hydrogen 3.039 N/A ARG 132.A N ASP 128.A O no hydrogen 3.048 N/A ARG 132.A NE ASP 99.A OD1 no hydrogen 2.921 N/A ARG 132.A NH1 ASP 128.A OD2 no hydrogen 2.810 N/A ARG 132.A NH2 ASP 99.A OD1 no hydrogen 3.110 N/A ARG 132.A NH2 ASP 128.A OD2 no hydrogen 3.098 N/A ARG 133.A N THR 129.A O no hydrogen 3.134 N/A ARG 133.A NE ASP 99.A OD2 no hydrogen 2.933 N/A ARG 133.A NH1 ALA 188.A O no hydrogen 2.716 N/A ARG 133.A NH2 ASP 99.A OD2 no hydrogen 3.190 N/A LYS 134.A N ALA 130.A O no hydrogen 2.936 N/A LYS 134.A NZ GLN 131.A OE1 no hydrogen 2.841 N/A LYS 134.A NZ ASP 155.A OD1 no hydrogen 2.692 N/A GLU 135.A N GLN 131.A O no hydrogen 2.869 N/A GLY 136.A N ARG 132.A O no hydrogen 3.110 N/A TYR 137.A N ARG 133.A O no hydrogen 3.191 N/A TYR 137.A OH ILE 118.A O no hydrogen 2.525 N/A TYR 137.A OH SER 148.A OG no hydrogen 2.892 N/A LEU 138.A N LYS 134.A O no hydrogen 2.877 N/A GLU 139.A N GLU 135.A O no hydrogen 2.825 N/A THR 140.A N GLY 136.A O no hydrogen 2.998 N/A THR 140.A OG1 GLY 136.A O no hydrogen 2.743 N/A LEU 141.A N TYR 137.A O no hydrogen 3.024 N/A ALA 142.A N LEU 138.A O no hydrogen 3.072 N/A SER 143.A N GLU 139.A O no hydrogen 2.877 N/A SER 143.A OG GLU 139.A O no hydrogen 3.130 N/A ALA 144.A N THR 140.A O no hydrogen 3.206 N/A GLY 145.A N ALA 142.A O no hydrogen 2.897 N/A LEU 146.A N LEU 141.A O no hydrogen 2.874 N/A SER 148.A OG TYR 137.A OH no hydrogen 2.892 N/A SER 148.A OG GLU 149.A O no hydrogen 3.346 N/A GLU 149.A N SER 148.A OG no hydrogen 2.818 N/A TRP 152.A N GLU 149.A O no hydrogen 3.057 N/A VAL 153.A N ALA 150.A O no hydrogen 3.212 N/A VAL 154.A N PHE 120.A O no hydrogen 2.934 N/A ALA 156.A N SER 122.A O no hydrogen 3.178 N/A ALA 156.A N GLY 123.A O no hydrogen 3.090 N/A GLY 157.A N SER 122.A O no hydrogen 3.125 N/A TRP 158.A N GLU 65.A OE2 no hydrogen 3.010 N/A GLY 163.A N GLU 159.A O no hydrogen 3.047 N/A SER 164.A N ALA 160.A O no hydrogen 2.837 N/A SER 164.A OG ALA 160.A O no hydrogen 3.246 N/A SER 164.A OG GLY 195.A O no hydrogen 2.898 N/A SER 164.A OG THR 199.A OG1 no hydrogen 2.944 N/A ALA 165.A N ASP 161.A O no hydrogen 2.907 N/A ALA 166.A N ALA 162.A O no hydrogen 2.912 N/A LEU 167.A N GLY 163.A O no hydrogen 2.976 N/A ASN 168.A N SER 164.A O no hydrogen 3.073 N/A ASN 168.A ND2 SER 164.A O no hydrogen 3.634 N/A THR 169.A N ALA 165.A O no hydrogen 3.112 N/A THR 169.A OG1 ALA 165.A O no hydrogen 2.985 N/A LEU 170.A N ALA 166.A O no hydrogen 2.964 N/A TYR 171.A N LEU 167.A O no hydrogen 2.756 N/A ARG 172.A N ASN 168.A O no hydrogen 2.956 N/A GLY 173.A N THR 169.A O no hydrogen 2.952 N/A ALA 174.A N LEU 170.A O no hydrogen 2.684 N/A LEU 176.A N LEU 170.A O no hydrogen 3.252 N/A GLY 177.A N PRO 182.A O no hydrogen 3.125 N/A LYS 178.A N ASN 175.A O no hydrogen 2.840 N/A GLY 181.A N LYS 178.A O no hydrogen 3.256 N/A THR 183.A N ARG 117.A O no hydrogen 2.888 N/A THR 183.A OG1 HIS 115.A ND1 no hydrogen 2.697 N/A THR 183.A OG1 ARG 117.A O no hydrogen 3.482 N/A VAL 185.A N SER 212.A O no hydrogen 3.040 N/A VAL 186.A N ALA 119.A O no hydrogen 2.990 N/A VAL 187.A N VAL 214.A O no hydrogen 2.842 N/A ALA 188.A N ILE 121.A O no hydrogen 2.848 N/A ASN 191.A ND2 GLU 159.A OE1 no hydrogen 3.051 N/A ALA 192.A N TRP 158.A O no hydrogen 2.976 N/A ALA 193.A N SER 189.A O no hydrogen 3.171 N/A VAL 194.A N VAL 190.A O no hydrogen 2.941 N/A GLY 195.A N ASN 191.A O no hydrogen 3.032 N/A ALA 196.A N ALA 192.A O no hydrogen 2.823 N/A LEU 197.A N ALA 193.A O no hydrogen 2.949 N/A SER 198.A N VAL 194.A O no hydrogen 3.016 N/A SER 198.A OG VAL 194.A O no hydrogen 2.888 N/A THR 199.A N GLY 195.A O no hydrogen 3.047 N/A THR 199.A OG1 SER 164.A OG no hydrogen 2.944 N/A THR 199.A OG1 GLY 195.A O no hydrogen 3.042 N/A ALA 200.A N ALA 196.A O no hydrogen 2.882 N/A LEU 201.A N LEU 197.A O no hydrogen 2.934 N/A ARG 202.A N SER 198.A O no hydrogen 2.864 N/A LEU 203.A N THR 199.A O no hydrogen 2.869 N/A GLY 204.A N LEU 201.A O no hydrogen 2.913 N/A LEU 205.A N ALA 200.A O no hydrogen 3.026 N/A ARG 206.A N ASP 210.A OD1 no hydrogen 2.810 N/A ARG 206.A NE ASP 210.A OD1 no hydrogen 3.425 N/A ARG 206.A NE ASP 210.A OD2 no hydrogen 3.490 N/A ARG 206.A NH2 ASP 210.A OD2 no hydrogen 3.447 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.733 N/A ASP 210.A N ARG 206.A O no hydrogen 2.768 N/A LEU 211.A N ARG 206.A O no hydrogen 3.179 N/A SER 212.A N THR 183.A O no hydrogen 3.069 N/A SER 212.A OG HIS 115.A NE2 no hydrogen 3.423 N/A SER 212.A OG THR 273.A O no hydrogen 3.566 N/A SER 212.A OG ALA 275.A O no hydrogen 3.002 N/A ILE 213.A N THR 273.A O no hydrogen 2.724 N/A VAL 214.A N VAL 185.A O no hydrogen 3.164 N/A GLY 215.A N THR 230.A O no hydrogen 2.987 N/A ILE 216.A N VAL 187.A O no hydrogen 3.022 N/A ASN 217.A N VAL 232.A O no hydrogen 2.753 N/A THR 218.A OG1 THR 231.A OG1 no hydrogen 2.718 N/A THR 219.A N SER 222.A OG no hydrogen 3.215 N/A SER 222.A N THR 219.A OG1 no hydrogen 3.393 N/A SER 222.A OG THR 219.A O no hydrogen 2.895 N/A ASP 223.A N THR 219.A O no hydrogen 3.163 N/A THR 224.A N VAL 221.A O no hydrogen 3.206 N/A THR 224.A OG1 TRP 220.A O no hydrogen 2.456 N/A VAL 225.A N VAL 221.A O no hydrogen 3.127 N/A ALA 228.A N GLU 272.A OE1 no hydrogen 2.889 N/A LEU 229.A N SER 222.A O no hydrogen 2.922 N/A THR 230.A N THR 273.A OG1 no hydrogen 2.892 N/A THR 230.A OG1 THR 274.A OG1 no hydrogen 2.976 N/A THR 231.A N LEU 269.A O no hydrogen 3.087 N/A THR 231.A OG1 THR 218.A OG1 no hydrogen 2.718 N/A VAL 232.A N GLY 215.A O no hydrogen 2.997 N/A ARG 233.A N GLU 267.A O no hydrogen 2.799 N/A ARG 238.A NH1 GLU 241.A OE1 no hydrogen 2.974 N/A LEU 239.A N PRO 235.A O no hydrogen 3.036 N/A GLY 240.A N LEU 236.A O no hydrogen 3.148 N/A GLU 241.A N GLN 237.A O no hydrogen 3.101 N/A VAL 242.A N ARG 238.A O no hydrogen 2.899 N/A ALA 243.A N LEU 239.A O no hydrogen 3.109 N/A ALA 244.A N GLY 240.A O no hydrogen 3.045 N/A ASP 245.A N GLU 241.A O no hydrogen 2.982 N/A VAL 246.A N VAL 242.A O no hydrogen 2.771 N/A LEU 247.A N ALA 243.A O no hydrogen 3.004 N/A MET 248.A N ALA 244.A O no hydrogen 2.893 N/A GLU 249.A N ASP 245.A O no hydrogen 2.846 N/A HIS 250.A N VAL 246.A O no hydrogen 2.997 N/A HIS 250.A ND1 ARG 254.A O no hydrogen 2.770 N/A LEU 251.A N LEU 247.A O no hydrogen 2.981 N/A LEU 251.A N MET 248.A O no hydrogen 3.058 N/A GLY 252.A N MET 248.A O no hydrogen 3.030 N/A GLY 253.A N HIS 250.A O no hydrogen 3.154 N/A ARG 254.A N GLU 249.A O no hydrogen 2.980 N/A THR 259.A N SER 94.A O no hydrogen 3.041 N/A VAL 261.A N ILE 96.A O no hydrogen 2.911 N/A GLU 267.A N ARG 233.A O no hydrogen 2.919 N/A LEU 269.A N THR 231.A O no hydrogen 2.820 N/A ARG 271.A N THR 230.A OG1 no hydrogen 2.891 N/A ARG 271.A NE ASP 223.A OD1 no hydrogen 2.686 N/A ARG 271.A NH2 ASP 223.A OD1 no hydrogen 3.290 N/A ARG 271.A NH2 ASP 223.A OD2 no hydrogen 3.441 N/A GLU 272.A N ALA 228.A O no hydrogen 2.862 N/A THR 273.A OG1 ILE 213.A O no hydrogen 2.739 N/A THR 274.A OG1 HIS 109.A NE2 no hydrogen 3.085 N/A THR 274.A OG1 THR 230.A OG1 no hydrogen 2.976 N/A ALA 275.A N SER 212.A OG no hydrogen 2.805 N/A THR 278.A OG1 GLU 209.A O no hydrogen 3.500 N/A