Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4klu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 HIS 41.A O no hydrogen 2.930 N/A THR 6.A N ASN 2.A O no hydrogen 2.988 N/A THR 6.A OG1 ASN 2.A O no hydrogen 3.549 N/A THR 6.A OG1 GLY 3.A O no hydrogen 3.360 N/A ASP 7.A N GLY 3.A O no hydrogen 2.857 N/A MET 8.A N GLY 4.A O no hydrogen 3.164 N/A LEU 9.A N ILE 5.A O no hydrogen 2.959 N/A THR 10.A N THR 6.A O no hydrogen 2.997 N/A THR 10.A OG1 THR 6.A O no hydrogen 2.838 N/A GLU 11.A N ASP 7.A O no hydrogen 3.008 N/A LEU 12.A N MET 8.A O no hydrogen 3.098 N/A ALA 13.A N LEU 9.A O no hydrogen 2.904 N/A ASN 14.A N THR 10.A O no hydrogen 2.890 N/A PHE 15.A N GLU 11.A O no hydrogen 2.857 N/A GLU 16.A N LEU 12.A O no hydrogen 2.858 N/A LYS 17.A N ALA 13.A O no hydrogen 3.022 N/A ASN 18.A N ASN 14.A O no hydrogen 2.958 N/A ASN 18.A ND2 ASN 88.A OD1 no hydrogen 2.805 N/A VAL 19.A N PHE 15.A O no hydrogen 2.989 N/A SER 20.A N PHE 15.A O no hydrogen 3.144 N/A SER 20.A OG GLU 16.A OE1 no hydrogen 3.090 N/A ALA 22.A N GLU 16.A O no hydrogen 2.836 N/A TYR 26.A N ALA 22.A O no hydrogen 3.109 N/A ASN 27.A N ILE 23.A O no hydrogen 3.042 N/A ALA 28.A N HIS 24.A O no hydrogen 2.900 N/A TYR 29.A N LYS 25.A O no hydrogen 2.936 N/A ARG 30.A N TYR 26.A O no hydrogen 2.981 N/A LYS 31.A N ASN 27.A O no hydrogen 2.854 N/A ALA 32.A N ALA 28.A O no hydrogen 2.958 N/A ALA 33.A N TYR 29.A O no hydrogen 2.829 N/A SER 34.A N ARG 30.A O no hydrogen 2.811 N/A SER 34.A OG ARG 30.A O no hydrogen 3.136 N/A VAL 35.A N LYS 31.A O no hydrogen 3.140 N/A ILE 36.A N ALA 32.A O no hydrogen 3.087 N/A ALA 37.A N ALA 33.A O no hydrogen 2.901 N/A LYS 38.A N SER 34.A O no hydrogen 3.304 N/A LYS 38.A N VAL 35.A O no hydrogen 3.173 N/A TYR 39.A N ILE 36.A O no hydrogen 2.934 N/A TYR 39.A OH GLU 48.A OE2 no hydrogen 2.673 N/A ILE 43.A N ASN 2.A OD1 no hydrogen 2.745 N/A LYS 44.A N GLU 48.A OE1 no hydrogen 2.974 N/A GLY 46.A N ASP 64.A OD1 no hydrogen 2.533 N/A GLU 48.A N SER 45.A OG no hydrogen 3.287 N/A ALA 49.A N SER 45.A O no hydrogen 3.338 N/A LYS 50.A N GLY 46.A O no hydrogen 2.846 N/A LYS 51.A N GLU 48.A O no hydrogen 3.275 N/A LEU 52.A N ALA 49.A O no hydrogen 2.862 N/A VAL 55.A N LEU 52.A O no hydrogen 3.185 N/A ALA 60.A N GLY 56.A O no hydrogen 2.941 N/A GLU 61.A N THR 57.A O no hydrogen 3.044 N/A LYS 62.A N LYS 58.A O no hydrogen 3.056 N/A ILE 63.A N ILE 59.A O no hydrogen 2.876 N/A ASP 64.A N ALA 60.A O no hydrogen 3.058 N/A GLU 65.A N GLU 61.A O no hydrogen 3.141 N/A PHE 66.A N LYS 62.A O no hydrogen 2.921 N/A LEU 67.A N ILE 63.A O no hydrogen 2.841 N/A ALA 68.A N ASP 64.A O no hydrogen 2.961 N/A THR 69.A N GLU 65.A O no hydrogen 2.967 N/A THR 69.A OG1 GLU 65.A O no hydrogen 2.886 N/A GLY 70.A N PHE 66.A O no hydrogen 2.695 N/A LYS 71.A N THR 69.A OG1 no hydrogen 3.114 N/A ARG 73.A N GLU 65.A OE2 no hydrogen 2.991 N/A GLU 76.A N LEU 72.A O no hydrogen 2.952 N/A LYS 77.A N ARG 73.A O no hydrogen 3.051 N/A ILE 78.A N LYS 74.A O no hydrogen 3.189 N/A ARG 79.A N LEU 75.A O no hydrogen 2.886 N/A ARG 79.A NE GLU 11.A OE2 no hydrogen 3.282 N/A ARG 79.A NH2 GLU 11.A OE1 no hydrogen 2.817 N/A ARG 79.A NH2 GLU 11.A OE2 no hydrogen 3.165 N/A GLN 80.A N GLU 76.A O no hydrogen 3.197 N/A ASP 81.A N ILE 78.A O no hydrogen 3.211 N/A SER 84.A N ASP 81.A OD2 no hydrogen 3.152 N/A SER 84.A OG ASP 81.A OD2 no hydrogen 2.916 N/A SER 85.A N ASP 81.A O no hydrogen 3.156 N/A SER 85.A OG ASP 81.A O no hydrogen 3.097 N/A SER 85.A OG ASP 82.A O no hydrogen 3.112 N/A SER 86.A N ASP 82.A O no hydrogen 3.175 N/A SER 86.A OG ASP 82.A O no hydrogen 2.926 N/A SER 86.A OG ASP 82.A OD1 no hydrogen 3.357 N/A ILE 87.A N THR 83.A O no hydrogen 3.040 N/A ASN 88.A N SER 84.A O no hydrogen 2.968 N/A PHE 89.A N SER 85.A O no hydrogen 2.967 N/A LEU 90.A N SER 86.A O no hydrogen 2.867 N/A THR 91.A N ILE 87.A O no hydrogen 3.425 N/A THR 91.A OG1 ASN 88.A O no hydrogen 2.726 N/A ARG 92.A N PHE 89.A O no hydrogen 2.837 N/A ARG 92.A NE GLU 137.A OE2 no hydrogen 2.740 N/A ARG 92.A NH2 GLU 137.A OE1 no hydrogen 2.798 N/A ARG 92.A NH2 GLU 137.A OE2 no hydrogen 3.404 N/A VAL 93.A N LEU 90.A O no hydrogen 3.008 N/A SER 94.A OG HIS 125.A NE2 no hydrogen 2.724 N/A ILE 96.A N VAL 93.A O no hydrogen 2.976 N/A ALA 101.A N GLY 97.A O no hydrogen 2.886 N/A ARG 102.A N PRO 98.A O no hydrogen 3.093 N/A LYS 103.A N SER 99.A O no hydrogen 3.050 N/A PHE 104.A N ALA 100.A O no hydrogen 2.821 N/A VAL 105.A N ALA 101.A O no hydrogen 2.927 N/A ASP 106.A N ARG 102.A O no hydrogen 2.875 N/A GLU 107.A N LYS 103.A O no hydrogen 3.289 N/A GLU 107.A N PHE 104.A O no hydrogen 3.091 N/A GLY 108.A N VAL 105.A O no hydrogen 2.833 N/A ILE 109.A N PHE 104.A O no hydrogen 2.818 N/A LYS 110.A N ASP 114.A OD2 no hydrogen 3.007 N/A LYS 110.A NZ ASP 82.A OD2 no hydrogen 3.049 N/A THR 111.A OG1 GLU 113.A OE1 no hydrogen 2.947 N/A ASP 114.A N THR 111.A OG1 no hydrogen 2.958 N/A LEU 115.A N THR 111.A O no hydrogen 2.980 N/A ARG 116.A N LEU 112.A O no hydrogen 2.911 N/A LYS 117.A N GLU 113.A O no hydrogen 3.208 N/A ASN 118.A N LEU 115.A O no hydrogen 2.842 N/A ASN 118.A ND2 ASP 114.A O no hydrogen 2.799 N/A LYS 121.A N ASN 118.A O no hydrogen 2.738 N/A LYS 121.A NZ GLU 107.A OE1 no hydrogen 3.303 N/A LEU 122.A N GLU 119.A O no hydrogen 3.127 N/A ASN 123.A N GLN 126.A OE1 no hydrogen 2.966 N/A HIS 124.A NE2 THR 215.A O no hydrogen 3.089 N/A HIS 125.A NE2 SER 94.A OG no hydrogen 2.724 N/A GLN 126.A N ASN 123.A OD1 no hydrogen 2.893 N/A GLN 126.A NE2 GLY 95.A O no hydrogen 2.986 N/A ARG 127.A N ASN 123.A O no hydrogen 3.048 N/A ARG 127.A NE GLU 119.A O no hydrogen 3.074 N/A ARG 127.A NH2 GLU 119.A O no hydrogen 2.894 N/A ILE 128.A N HIS 124.A O no hydrogen 3.107 N/A GLY 129.A N HIS 125.A O no hydrogen 2.981 N/A LEU 130.A N GLN 126.A O no hydrogen 2.898 N/A LYS 131.A N ARG 127.A O no hydrogen 2.887 N/A LYS 131.A NZ TYR 132.A OH no hydrogen 2.877 N/A TYR 132.A N ILE 128.A O no hydrogen 2.961 N/A TYR 132.A OH ASP 214.A OD2 no hydrogen 2.827 N/A PHE 133.A N LEU 130.A O no hydrogen 3.099 N/A PHE 136.A N TYR 132.A O no hydrogen 2.955 N/A GLU 137.A N GLY 134.A O no hydrogen 3.177 N/A LYS 138.A N ASP 135.A O no hydrogen 2.979 N/A ARG 139.A NE SER 177.A OG no hydrogen 2.916 N/A ARG 139.A NH2 SER 177.A O no hydrogen 2.816 N/A ILE 140.A N SER 178.A O no hydrogen 2.739 N/A ARG 142.A N GLU 176.A O no hydrogen 2.832 N/A ARG 142.A NH1 PHE 171.A O no hydrogen 3.005 N/A ARG 142.A NH1 ALA 175.A O no hydrogen 2.644 N/A ARG 142.A NH2 PHE 171.A O no hydrogen 3.117 N/A MET 145.A N PRO 141.A O no hydrogen 3.136 N/A LEU 146.A N ARG 142.A O no hydrogen 2.975 N/A GLN 147.A N GLU 143.A O no hydrogen 3.243 N/A GLN 147.A NE2 GLU 143.A O no hydrogen 3.246 N/A MET 148.A N GLU 144.A O no hydrogen 2.811 N/A GLN 149.A N MET 145.A O no hydrogen 2.727 N/A ASP 150.A N LEU 146.A O no hydrogen 2.982 N/A ILE 151.A N GLN 147.A O no hydrogen 3.238 N/A VAL 152.A N MET 148.A O no hydrogen 2.996 N/A LEU 153.A N GLN 149.A O no hydrogen 2.805 N/A ASN 154.A N ASP 150.A O no hydrogen 2.971 N/A ASN 154.A ND2 GLU 155.A OE2 no hydrogen 3.506 N/A GLU 155.A N ILE 151.A O no hydrogen 2.863 N/A VAL 156.A N VAL 152.A O no hydrogen 2.853 N/A LYS 157.A N LEU 153.A O no hydrogen 3.045 N/A LYS 158.A N ASN 154.A O no hydrogen 3.000 N/A LYS 158.A NZ GLU 155.A OE1 no hydrogen 3.276 N/A LYS 158.A NZ GLU 155.A OE2 no hydrogen 3.434 N/A VAL 159.A N GLU 155.A O no hydrogen 3.319 N/A VAL 159.A N VAL 156.A O no hydrogen 2.858 N/A ASP 160.A N VAL 156.A O no hydrogen 3.271 N/A GLU 162.A N ASP 160.A OD1 no hydrogen 2.785 N/A TYR 163.A N ASP 160.A O no hydrogen 3.250 N/A TYR 163.A OH LEU 198.A O no hydrogen 2.706 N/A ILE 164.A N THR 186.A O no hydrogen 2.984 N/A THR 166.A N LEU 184.A O no hydrogen 2.932 N/A THR 166.A OG1 TYR 252.A OH no hydrogen 2.554 N/A CYS 168.A N ASP 182.A O no hydrogen 2.832 N/A CYS 168.A SG THR 166.A O no hydrogen 3.968 N/A GLY 169.A N PHE 259.A O no hydrogen 2.976 N/A ARG 172.A N GLY 169.A O no hydrogen 2.956 N/A ARG 172.A NH1 THR 260.A OG1 no hydrogen 2.715 N/A ARG 172.A NH1 GLU 303.A OE1 no hydrogen 2.959 N/A ARG 172.A NH1 GLU 303.A OE2 no hydrogen 3.549 N/A ARG 172.A NH2 GLU 303.A OE2 no hydrogen 2.741 N/A ARG 173.A NH1 THR 260.A O no hydrogen 2.768 N/A GLY 174.A N PHE 171.A O no hydrogen 2.973 N/A ALA 175.A N SER 170.A O no hydrogen 3.125 N/A SER 178.A N ILE 140.A O no hydrogen 2.699 N/A MET 181.A N ARG 241.A O no hydrogen 2.968 N/A VAL 183.A N ASP 243.A O no hydrogen 2.964 N/A LEU 184.A N THR 166.A O no hydrogen 2.735 N/A LEU 185.A N ARG 245.A O no hydrogen 2.702 N/A THR 186.A N ILE 164.A O no hydrogen 2.998 N/A THR 186.A OG1 ILE 247.A O no hydrogen 2.748 N/A HIS 187.A ND1 SER 189.A OG no hydrogen 2.536 N/A HIS 187.A NE2 ASP 160.A OD2 no hydrogen 3.054 N/A SER 189.A N HIS 187.A ND1 no hydrogen 3.093 N/A SER 189.A OG HIS 187.A ND1 no hydrogen 2.536 N/A PHE 190.A N HIS 187.A O no hydrogen 2.811 N/A SER 192.A N ASP 250.A OD1 no hydrogen 2.925 N/A SER 192.A OG ASP 250.A OD2 no hydrogen 2.634 N/A GLU 193.A N THR 191.A OG1 no hydrogen 2.913 N/A SER 194.A N THR 191.A OG1 no hydrogen 3.178 N/A GLN 201.A N LYS 197.A O no hydrogen 3.265 N/A VAL 202.A N LEU 199.A O no hydrogen 3.009 N/A VAL 203.A N LEU 199.A O no hydrogen 2.999 N/A GLU 204.A N HIS 200.A O no hydrogen 2.787 N/A GLN 205.A N GLN 201.A O no hydrogen 3.324 N/A GLN 205.A NE2 GLU 155.A OE1 no hydrogen 2.769 N/A LEU 206.A N VAL 202.A O no hydrogen 3.151 N/A GLN 207.A N VAL 203.A O no hydrogen 2.899 N/A LYS 208.A N GLU 204.A O no hydrogen 2.740 N/A VAL 209.A N GLN 205.A O no hydrogen 3.016 N/A HIS 210.A N GLN 207.A O no hydrogen 2.813 N/A PHE 211.A N LEU 206.A O no hydrogen 2.861 N/A ILE 212.A N LEU 206.A O no hydrogen 2.991 N/A THR 213.A N VAL 226.A O no hydrogen 2.809 N/A THR 213.A OG1 ASP 214.A OD2 no hydrogen 2.711 N/A THR 213.A OG1 VAL 226.A O no hydrogen 3.250 N/A ASP 214.A N VAL 226.A O no hydrogen 3.497 N/A LEU 216.A N MET 224.A O no hydrogen 2.642 N/A SER 217.A N MET 224.A O no hydrogen 3.002 N/A LYS 218.A NZ HIS 200.A ND1 no hydrogen 3.202 N/A GLY 219.A N LYS 222.A O no hydrogen 3.093 N/A PHE 223.A N ILE 244.A O no hydrogen 2.809 N/A MET 224.A N SER 217.A O no hydrogen 2.946 N/A GLY 225.A N ILE 242.A O no hydrogen 2.986 N/A VAL 226.A N ASP 214.A O no hydrogen 2.840 N/A CYS 227.A N ARG 240.A O no hydrogen 2.723 N/A CYS 227.A SG ARG 240.A O no hydrogen 3.701 N/A GLN 228.A N PHE 211.A O no hydrogen 2.967 N/A GLN 228.A NE2 TYR 237.A O no hydrogen 2.632 N/A HIS 239.A N ASP 135.A OD2 no hydrogen 2.985 N/A ARG 240.A N CYS 227.A O no hydrogen 2.667 N/A ARG 240.A NH1 ARG 139.A O no hydrogen 3.202 N/A ARG 240.A NH2 GLU 144.A OE1 no hydrogen 2.916 N/A ARG 241.A NH1 GLY 225.A O no hydrogen 2.940 N/A ARG 241.A NH1 ILE 242.A O no hydrogen 3.222 N/A ARG 241.A NH1 ASP 243.A OD1 no hydrogen 2.873 N/A ARG 241.A NH2 ASP 243.A OD1 no hydrogen 2.771 N/A ARG 241.A NH2 ASP 243.A OD2 no hydrogen 3.417 N/A ILE 242.A N GLY 225.A O no hydrogen 3.148 N/A ASP 243.A N MET 181.A O no hydrogen 2.858 N/A ILE 244.A N PHE 223.A O no hydrogen 2.809 N/A ARG 245.A N VAL 183.A O no hydrogen 3.002 N/A LEU 246.A N THR 221.A O no hydrogen 2.821 N/A ILE 247.A N LEU 185.A O no hydrogen 2.742 N/A LYS 249.A N PHE 190.A O no hydrogen 3.097 N/A LYS 249.A NZ TYR 253.A OH no hydrogen 3.480 N/A GLN 251.A N PRO 248.A O no hydrogen 2.923 N/A TYR 252.A N LYS 249.A O no hydrogen 3.034 N/A TYR 252.A OH THR 166.A OG1 no hydrogen 2.554 N/A TYR 252.A OH LEU 184.A O no hydrogen 3.202 N/A GLY 255.A N GLN 251.A O no hydrogen 3.027 N/A VAL 256.A N TYR 252.A O no hydrogen 2.786 N/A LEU 257.A N TYR 253.A O no hydrogen 2.920 N/A TYR 258.A N CYS 254.A O no hydrogen 2.949 N/A PHE 259.A N GLY 255.A O no hydrogen 2.868 N/A THR 260.A N LEU 257.A O no hydrogen 3.361 N/A THR 260.A OG1 VAL 256.A O no hydrogen 2.882 N/A GLY 261.A N TYR 258.A O no hydrogen 3.224 N/A SER 262.A N ARG 320.A O no hydrogen 3.052 N/A SER 262.A OG ARG 320.A O no hydrogen 2.829 N/A SER 262.A OG SER 321.A O no hydrogen 2.620 N/A ASN 266.A N SER 262.A O no hydrogen 2.996 N/A ASN 266.A ND2 TYR 258.A O no hydrogen 3.211 N/A LYS 267.A N ASP 263.A O no hydrogen 3.247 N/A ASN 268.A N ILE 264.A O no hydrogen 3.255 N/A MET 269.A N PHE 265.A O no hydrogen 2.962 N/A ARG 270.A N ASN 266.A O no hydrogen 2.905 N/A ALA 271.A N LYS 267.A O no hydrogen 2.947 N/A HIS 272.A N ASN 268.A O no hydrogen 3.196 N/A ALA 273.A N MET 269.A O no hydrogen 2.763 N/A LEU 274.A N ARG 270.A O no hydrogen 2.944 N/A GLU 275.A N ALA 271.A O no hydrogen 3.360 N/A LYS 276.A N ALA 273.A O no hydrogen 3.192 N/A GLY 277.A N LEU 274.A O no hydrogen 2.855 N/A PHE 278.A N ALA 273.A O no hydrogen 2.741 N/A THR 279.A N ARG 286.A O no hydrogen 2.814 N/A ASN 281.A N THR 284.A O no hydrogen 3.102 N/A TYR 283.A N ASN 281.A OD1 no hydrogen 2.775 N/A THR 284.A N ASN 281.A OD1 no hydrogen 2.731 N/A THR 284.A OG1 ASN 281.A OD1 no hydrogen 3.389 N/A ARG 286.A N THR 279.A O no hydrogen 2.967 N/A ARG 286.A NH1 GLY 295.A O no hydrogen 3.358 N/A LEU 288.A N GLY 277.A O no hydrogen 2.999 N/A GLY 289.A N VAL 293.A O no hydrogen 2.938 N/A GLY 292.A N GLY 289.A O no hydrogen 3.029 N/A GLY 295.A N PRO 287.A O no hydrogen 2.754 N/A LEU 298.A N ILE 285.A O no hydrogen 2.922 N/A ASP 301.A N ASP 305.A OD1 no hydrogen 2.786 N/A ILE 306.A N GLU 303.A O no hydrogen 2.854 N/A PHE 307.A N GLU 303.A O no hydrogen 3.328 N/A ASP 308.A N LYS 304.A O no hydrogen 2.833 N/A TYR 309.A N ASP 305.A O no hydrogen 3.030 N/A TYR 309.A OH PRO 299.A O no hydrogen 2.651 N/A ILE 310.A N ILE 306.A O no hydrogen 3.481 N/A GLN 311.A N ASP 308.A O no hydrogen 2.852 N/A TRP 312.A N PHE 307.A O no hydrogen 2.641 N/A TYR 314.A OH GLU 303.A OE2 no hydrogen 3.181 N/A TYR 314.A OH GLU 316.A OE1 no hydrogen 3.361 N/A ASP 319.A N GLU 316.A O no hydrogen 2.837 N/A ARG 320.A N PRO 317.A O no hydrogen 2.976 N/A ARG 320.A NE ARG 315.A O no hydrogen 2.809 N/A ARG 320.A NH1 GLU 303.A OE1 no hydrogen 3.296 N/A ARG 320.A NH2 GLU 303.A OE2 no hydrogen 3.103 N/A ARG 320.A NH2 ARG 315.A O no hydrogen 2.902 N/A