Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kq5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A NE2 ASP 8.A OD1 no hydrogen 3.080 N/A GLU 5.A N VAL 1.A O no hydrogen 3.347 N/A LYS 6.A N TYR 2.A O no hydrogen 3.250 N/A LYS 6.A NZ LYS 49.A O no hydrogen 2.782 N/A GLN 7.A N ALA 3.A O no hydrogen 2.968 N/A ASP 8.A N GLN 4.A O no hydrogen 3.215 N/A PHE 9.A N GLU 5.A O no hydrogen 3.424 N/A VAL 10.A N LYS 6.A O no hydrogen 2.916 N/A GLN 11.A N GLN 7.A O no hydrogen 2.963 N/A HIS 12.A N PHE 9.A O no hydrogen 3.249 N/A PHE 13.A N VAL 10.A O no hydrogen 2.943 N/A ILE 16.A N HIS 12.A O no hydrogen 3.196 N/A VAL 17.A N PHE 13.A O no hydrogen 3.049 N/A ARG 18.A N.A SER 14.A O no hydrogen 2.902 N/A ARG 18.A N.B SER 14.A O no hydrogen 2.904 N/A VAL 19.A N GLN 15.A O no hydrogen 2.818 N/A LEU 20.A N ILE 16.A O no hydrogen 3.141 N/A THR 21.A OG1 VAL 17.A O no hydrogen 2.760 N/A THR 21.A OG1 ARG 18.A O.A no hydrogen 3.408 N/A THR 21.A OG1 ARG 18.A O.B no hydrogen 3.438 N/A MET 25.A N GLU 22.A O no hydrogen 3.380 N/A HIS 27.A N ASP 23.A O no hydrogen 3.200 N/A GLY 31.A N PRO 28.A O no hydrogen 3.302 N/A ILE 34.A N ILE 30.A O no hydrogen 2.981 N/A ALA 35.A N GLY 31.A O no hydrogen 2.886 N/A ARG 36.A N ASP 32.A O no hydrogen 3.119 N/A ARG 36.A NE ASP 123.A OD1 no hydrogen 3.083 N/A ARG 36.A NH1 ASP 123.A OD1 no hydrogen 3.491 N/A ARG 36.A NH1 ASP 123.A OD2 no hydrogen 2.734 N/A LEU 37.A N ALA 33.A O no hydrogen 2.962 N/A LYS 38.A N ILE 34.A O no hydrogen 3.040 N/A GLU 39.A N ALA 35.A O no hydrogen 3.252 N/A VAL 40.A N ARG 36.A O no hydrogen 3.045 N/A LEU 41.A N LEU 37.A O no hydrogen 3.017 N/A GLU 42.A N LYS 38.A O no hydrogen 2.981 N/A TYR 43.A N GLU 39.A O no hydrogen 3.076 N/A TYR 43.A OH ILE 108.A O no hydrogen 2.594 N/A ASN 44.A N VAL 40.A O no hydrogen 2.976 N/A ALA 45.A N LEU 41.A O no hydrogen 2.852 N/A GLY 47.A N TYR 50.A OH no hydrogen 2.888 N/A ARG 52.A NE SER 197.A O no hydrogen 3.594 N/A GLY 53.A N GLU 85.A OE2 no hydrogen 2.941 N/A LEU 54.A N TYR 50.A O no hydrogen 2.959 N/A THR 55.A N ASN 51.A O no hydrogen 3.254 N/A THR 55.A OG1 ASN 51.A O no hydrogen 2.648 N/A VAL 56.A N GLY 53.A O no hydrogen 3.278 N/A VAL 58.A N LEU 54.A O no hydrogen 2.932 N/A ALA 59.A N THR 55.A O no hydrogen 2.834 N/A PHE 60.A N VAL 56.A O no hydrogen 2.908 N/A ARG 61.A N VAL 57.A O no hydrogen 3.112 N/A GLU 62.A N VAL 58.A O no hydrogen 3.162 N/A LEU 63.A N PHE 60.A O no hydrogen 3.112 N/A VAL 64.A N PHE 60.A O no hydrogen 2.802 N/A LYS 68.A N GLU 65.A O no hydrogen 2.738 N/A GLN 69.A N PRO 66.A O no hydrogen 3.166 N/A GLN 69.A NE2 ARG 61.A O no hydrogen 3.045 N/A GLN 69.A NE2 VAL 64.A O no hydrogen 2.842 N/A ASP 72.A N ASP 70.A OD2 no hydrogen 3.125 N/A SER 73.A OG LYS 68.A O no hydrogen 3.501 N/A SER 73.A OG ASP 70.A OD1 no hydrogen 3.313 N/A LEU 74.A N ASP 70.A O no hydrogen 2.957 N/A GLN 75.A N ALA 71.A O no hydrogen 3.046 N/A ARG 76.A N ASP 72.A O no hydrogen 3.087 N/A ALA 77.A N SER 73.A O no hydrogen 3.116 N/A TRP 78.A N LEU 74.A O no hydrogen 3.014 N/A THR 79.A N GLN 75.A O no hydrogen 2.984 N/A THR 79.A OG1 GLN 75.A O no hydrogen 2.726 N/A VAL 80.A N ARG 76.A O no hydrogen 2.987 N/A GLY 81.A N ALA 77.A O no hydrogen 3.033 N/A TRP 82.A N TRP 78.A O no hydrogen 2.978 N/A TRP 82.A NE1 PHE 9.A O no hydrogen 2.881 N/A CYS 83.A N THR 79.A O no hydrogen 2.920 N/A CYS 83.A SG THR 79.A O no hydrogen 3.390 N/A CYS 83.A SG ILE 131.A O no hydrogen 3.439 N/A VAL 84.A N VAL 80.A O no hydrogen 3.052 N/A GLU 85.A N GLY 81.A O no hydrogen 3.220 N/A LEU 86.A N TRP 82.A O no hydrogen 3.090 N/A LEU 87.A N CYS 83.A O no hydrogen 3.079 N/A GLN 88.A N VAL 84.A O no hydrogen 3.280 N/A ALA 89.A N GLU 85.A O no hydrogen 3.034 N/A PHE 90.A N LEU 86.A O no hydrogen 2.972 N/A PHE 91.A N LEU 87.A O no hydrogen 3.189 N/A LEU 92.A N GLN 88.A O no hydrogen 2.846 N/A VAL 93.A N ALA 89.A O no hydrogen 3.065 N/A ALA 94.A N PHE 90.A O no hydrogen 3.450 N/A ASP 95.A N PHE 91.A O no hydrogen 2.982 N/A ASP 96.A N LEU 92.A O no hydrogen 2.969 N/A ILE 97.A N ALA 94.A O no hydrogen 3.226 N/A MET 98.A N ALA 94.A O no hydrogen 3.114 N/A ASP 99.A N ASP 95.A O no hydrogen 2.723 N/A SER 100.A N ILE 97.A O no hydrogen 3.088 N/A SER 101.A N ASP 96.A O no hydrogen 2.837 N/A ARG 104.A N GLN 107.A O no hydrogen 2.881 N/A ARG 104.A NE ASP 96.A OD1 no hydrogen 3.329 N/A ARG 104.A NE ASP 96.A OD2 no hydrogen 3.133 N/A ARG 104.A NH2 ASP 96.A OD1 no hydrogen 2.722 N/A GLY 106.A N GLY 248.A O no hydrogen 2.945 N/A GLN 107.A N ARG 104.A O no hydrogen 3.251 N/A CYS 109.A N LEU 102.A O no hydrogen 2.949 N/A TRP 110.A NE1 ASP 123.A OD2 no hydrogen 2.662 N/A TYR 111.A OH ASP 96.A O no hydrogen 3.316 N/A TYR 111.A OH SER 101.A O no hydrogen 2.680 N/A GLN 112.A N CYS 109.A O no hydrogen 2.829 N/A GLN 112.A NE2 SER 101.A O no hydrogen 3.067 N/A LYS 113.A N TRP 110.A O no hydrogen 3.215 N/A VAL 116.A N LYS 113.A O no hydrogen 3.033 N/A ASP 119.A N VAL 116.A O no hydrogen 3.170 N/A ALA 120.A N GLY 117.A O no hydrogen 3.236 N/A ILE 121.A N LEU 118.A O no hydrogen 3.071 N/A ASN 122.A N ASP 119.A O no hydrogen 3.251 N/A ASP 123.A N ASP 119.A O no hydrogen 3.310 N/A ALA 124.A N ALA 120.A O no hydrogen 2.874 N/A ASN 125.A N ILE 121.A O no hydrogen 3.242 N/A LEU 126.A N ASN 122.A O no hydrogen 2.962 N/A LEU 127.A N ASP 123.A O no hydrogen 3.074 N/A GLU 128.A N ALA 124.A O no hydrogen 3.141 N/A ALA 129.A N ASN 125.A O no hydrogen 3.051 N/A CYS 130.A N LEU 126.A O no hydrogen 3.279 N/A CYS 130.A SG LEU 126.A O no hydrogen 3.221 N/A ILE 131.A N GLU 128.A O no hydrogen 3.347 N/A ARG 133.A N.A ALA 129.A O no hydrogen 3.051 N/A ARG 133.A N.B ALA 129.A O no hydrogen 3.062 N/A ARG 133.A NH1.A LEU 20.A O no hydrogen 2.843 N/A ARG 133.A NH2.A LEU 20.A O no hydrogen 3.058 N/A LEU 134.A N CYS 130.A O no hydrogen 2.877 N/A LEU 135.A N ILE 131.A O no hydrogen 2.951 N/A LYS 136.A N TYR 132.A O no hydrogen 3.061 N/A LEU 137.A N ARG 133.A O.A no hydrogen 3.083 N/A LEU 137.A N ARG 133.A O.B no hydrogen 3.067 N/A TYR 138.A N LEU 134.A O no hydrogen 3.034 N/A TYR 138.A OH GLN 15.A OE1 no hydrogen 2.654 N/A CYS 139.A N LEU 135.A O no hydrogen 2.852 N/A GLN 142.A N CYS 139.A O no hydrogen 2.911 N/A TYR 145.A N GLN 142.A O no hydrogen 3.262 N/A LEU 148.A N TYR 144.A O no hydrogen 2.961 N/A ILE 149.A N TYR 145.A O no hydrogen 3.065 N/A GLU 150.A N LEU 146.A O no hydrogen 2.878 N/A LEU 151.A N ASN 147.A O no hydrogen 2.867 N/A PHE 152.A N LEU 148.A O no hydrogen 2.924 N/A LEU 153.A N ILE 149.A O no hydrogen 2.988 N/A GLN 154.A N GLU 150.A O no hydrogen 2.930 N/A SER 155.A N LEU 151.A O no hydrogen 2.926 N/A SER 155.A OG LEU 151.A O no hydrogen 2.690 N/A SER 156.A N PHE 152.A O no hydrogen 3.120 N/A SER 156.A OG PHE 152.A O no hydrogen 2.863 N/A TYR 157.A N LEU 153.A O no hydrogen 3.111 N/A GLN 158.A N GLN 154.A O no hydrogen 2.975 N/A THR 159.A N SER 155.A O no hydrogen 3.049 N/A THR 159.A OG1 SER 155.A O no hydrogen 2.802 N/A GLU 160.A N SER 156.A O no hydrogen 2.970 N/A ILE 161.A N TYR 157.A O no hydrogen 2.903 N/A GLY 162.A N GLN 158.A O no hydrogen 3.071 N/A GLN 163.A N THR 159.A O no hydrogen 2.682 N/A GLN 163.A NE2 ASP 95.A OD1 no hydrogen 3.008 N/A THR 164.A N GLU 160.A O no hydrogen 2.904 N/A THR 164.A OG1 GLU 160.A O no hydrogen 2.659 N/A LEU 165.A N ILE 161.A O no hydrogen 3.043 N/A ASP 166.A N GLY 162.A O no hydrogen 2.844 N/A LEU 167.A N GLN 163.A O no hydrogen 2.968 N/A LEU 168.A N THR 164.A O no hydrogen 2.872 N/A THR 169.A N LEU 165.A O no hydrogen 3.167 N/A THR 169.A OG1 LEU 165.A O no hydrogen 2.633 N/A ALA 170.A N LEU 167.A O no hydrogen 3.275 N/A ASN 174.A N PRO 171.A O no hydrogen 3.298 N/A ASN 174.A ND2 GLN 172.A O no hydrogen 3.566 N/A ARG 179.A N ASP 176.A O no hydrogen 2.856 N/A PHE 180.A N LEU 177.A O no hydrogen 3.086 N/A THR 181.A N ARG 179.A O no hydrogen 3.018 N/A ARG 184.A N THR 181.A OG1 no hydrogen 3.098 N/A ARG 184.A NE THR 169.A OG1 no hydrogen 2.767 N/A ARG 184.A NH2 THR 169.A OG1 no hydrogen 2.804 N/A TYR 185.A N THR 181.A O no hydrogen 3.048 N/A TYR 185.A OH ASP 236.A OD2 no hydrogen 2.539 N/A LYS 186.A N GLU 182.A O no hydrogen 2.984 N/A SER 187.A N LYS 183.A O no hydrogen 3.371 N/A SER 187.A OG LYS 183.A O no hydrogen 2.986 N/A ILE 188.A N ARG 184.A O no hydrogen 3.043 N/A VAL 189.A N TYR 185.A O no hydrogen 3.266 N/A LYS 190.A N LYS 186.A O no hydrogen 3.272 N/A LYS 192.A N ILE 188.A O no hydrogen 2.830 N/A LYS 192.A NZ ASP 166.A OD1 no hydrogen 2.794 N/A THR 193.A N VAL 189.A O no hydrogen 3.161 N/A THR 193.A OG1 GLN 232.A OE1 no hydrogen 2.706 N/A ALA 194.A N VAL 189.A O no hydrogen 3.020 N/A SER 197.A N THR 193.A O no hydrogen 2.910 N/A SER 197.A OG THR 193.A O no hydrogen 3.400 N/A TYR 199.A N ALA 194.A O no hydrogen 3.418 N/A TYR 199.A OH HIS 217.A ND1 no hydrogen 2.937 N/A LEU 200.A N PHE 195.A O no hydrogen 2.823 N/A ALA 203.A N TYR 199.A O no hydrogen 2.908 N/A ALA 204.A N LEU 200.A O no hydrogen 2.911 N/A ALA 205.A N PRO 201.A O no hydrogen 3.232 N/A MET 206.A N ILE 202.A O no hydrogen 2.840 N/A TYR 207.A N ALA 203.A O no hydrogen 2.878 N/A MET 208.A N ALA 204.A O no hydrogen 3.053 N/A ALA 209.A N ALA 205.A O no hydrogen 2.955 N/A ALA 209.A N MET 206.A O no hydrogen 3.190 N/A GLY 210.A N TYR 207.A O no hydrogen 3.180 N/A ILE 211.A N MET 206.A O no hydrogen 2.822 N/A HIS 217.A N GLY 213.A O no hydrogen 3.153 N/A HIS 217.A ND1 TYR 199.A OH no hydrogen 2.937 N/A HIS 217.A NE2 ILE 211.A O no hydrogen 2.827 N/A ALA 218.A N GLU 214.A O no hydrogen 2.817 N/A ASN 219.A N LYS 215.A O no hydrogen 3.028 N/A ALA 220.A N GLU 216.A O no hydrogen 3.060 N/A LYS 221.A N HIS 217.A O no hydrogen 2.846 N/A LYS 222.A N ALA 218.A O no hydrogen 3.146 N/A ILE 223.A N ALA 220.A O no hydrogen 3.101 N/A LEU 224.A N ALA 220.A O no hydrogen 3.006 N/A LEU 225.A N LYS 221.A O no hydrogen 2.814 N/A MET 227.A N ILE 223.A O no hydrogen 3.071 N/A GLY 228.A N LEU 224.A O no hydrogen 2.941 N/A GLU 229.A N LEU 225.A O no hydrogen 3.071 N/A PHE 230.A N GLU 226.A O no hydrogen 3.281 N/A PHE 231.A N MET 227.A O no hydrogen 3.079 N/A GLN 232.A N GLY 228.A O no hydrogen 3.025 N/A GLN 232.A NE2 ASP 235.A OD2 no hydrogen 3.169 N/A GLN 232.A NE2 ASP 236.A OD1 no hydrogen 3.185 N/A ILE 233.A N GLU 229.A O no hydrogen 3.182 N/A GLN 234.A N PHE 230.A O no hydrogen 2.924 N/A GLN 234.A NE2 ILE 340.A O no hydrogen 3.475 N/A ASP 235.A N PHE 231.A O no hydrogen 3.044 N/A ASP 236.A N GLN 232.A O no hydrogen 2.878 N/A TYR 237.A N ILE 233.A O no hydrogen 2.978 N/A LEU 238.A N GLN 234.A O no hydrogen 2.966 N/A ASP 239.A N ASP 236.A O no hydrogen 3.250 N/A LEU 240.A N TYR 237.A O no hydrogen 3.206 N/A PHE 241.A N TYR 237.A O no hydrogen 2.860 N/A GLY 242.A N LEU 238.A O no hydrogen 3.001 N/A SER 245.A N ASP 243.A OD1 no hydrogen 3.168 N/A SER 245.A OG ASP 243.A OD1 no hydrogen 2.697 N/A VAL 246.A N ASP 243.A O no hydrogen 2.740 N/A THR 247.A N ASP 243.A O no hydrogen 2.820 N/A THR 247.A OG1 ASP 243.A O no hydrogen 3.359 N/A THR 247.A OG1 LYS 249.A O no hydrogen 3.104 N/A GLY 248.A N PRO 244.A O no hydrogen 2.808 N/A LYS 249.A NZ ASP 235.A OD1 no hydrogen 3.047 N/A THR 252.A OG1 ASP 256.A OD2 no hydrogen 3.501 N/A ASP 253.A N ASP 239.A OD2 no hydrogen 3.162 N/A GLN 255.A N GLN 255.A OE1 no hydrogen 2.887 N/A ASP 256.A N THR 252.A O no hydrogen 2.828 N/A ASN 257.A N ILE 254.A O no hydrogen 3.150 N/A ASN 257.A ND2 PRO 171.A O no hydrogen 3.180 N/A LYS 258.A N ASP 253.A O no hydrogen 2.999 N/A LYS 258.A NZ ASP 99.A OD1 no hydrogen 2.731 N/A LYS 258.A NZ ASP 166.A OD2 no hydrogen 3.363 N/A TRP 261.A N ASP 236.A OD2 no hydrogen 3.090 N/A LEU 262.A N SER 260.A OG no hydrogen 3.197 N/A VAL 264.A N SER 260.A O no hydrogen 3.309 N/A GLN 265.A N TRP 261.A O no hydrogen 3.041 N/A GLN 265.A NE2 GLU 182.A OE1 no hydrogen 2.821 N/A CYS 266.A N LEU 262.A O no hydrogen 2.852 N/A LEU 267.A N VAL 263.A O no hydrogen 3.017 N/A GLN 268.A NE2 GLU 182.A OE1 no hydrogen 3.427 N/A ARG 269.A N CYS 266.A O no hydrogen 3.069 N/A ARG 269.A NH1 GLN 265.A OE1 no hydrogen 2.804 N/A ALA 270.A N CYS 266.A O no hydrogen 2.773 N/A THR 271.A N GLN 274.A OE1 no hydrogen 2.797 N/A THR 271.A OG1 GLU 273.A OE1 no hydrogen 3.305 N/A THR 271.A OG1 GLN 274.A OE1 no hydrogen 3.150 N/A GLN 274.A N THR 271.A OG1 no hydrogen 3.373 N/A TYR 275.A N THR 271.A O no hydrogen 2.966 N/A GLN 276.A N PRO 272.A O no hydrogen 3.402 N/A GLN 276.A N GLU 273.A O no hydrogen 3.269 N/A ILE 277.A N GLU 273.A O no hydrogen 3.373 N/A LEU 278.A N GLN 274.A O no hydrogen 3.247 N/A LYS 279.A N TYR 275.A O no hydrogen 3.001 N/A GLU 280.A N GLN 276.A O no hydrogen 3.117 N/A ASN 281.A N LEU 278.A O no hydrogen 3.114 N/A ASN 281.A ND2 ILE 277.A O no hydrogen 2.733 N/A TYR 282.A N LEU 278.A O no hydrogen 2.909 N/A TYR 282.A OH LYS 258.A O no hydrogen 2.642 N/A GLY 283.A N ILE 254.A O no hydrogen 2.874 N/A LYS 285.A NZ GLU 286.A OE2 no hydrogen 3.526 N/A VAL 290.A N GLU 286.A O no hydrogen 3.013 N/A ALA 291.A N ALA 287.A O no hydrogen 3.078 N/A ARG 292.A N GLU 288.A O no hydrogen 3.200 N/A VAL 293.A N LYS 289.A O no hydrogen 3.330 N/A VAL 293.A N VAL 290.A O no hydrogen 3.233 N/A LYS 294.A N VAL 290.A O no hydrogen 3.175 N/A ALA 295.A N ALA 291.A O no hydrogen 3.016 N/A LEU 296.A N ARG 292.A O no hydrogen 3.188 N/A TYR 297.A N VAL 293.A O no hydrogen 2.982 N/A GLU 298.A N LYS 294.A O no hydrogen 3.181 N/A GLU 299.A N ALA 295.A O no hydrogen 2.931 N/A LEU 300.A N LEU 296.A O no hydrogen 3.098 N/A ASP 301.A N GLU 298.A O no hydrogen 3.318 N/A LEU 302.A N TYR 297.A O no hydrogen 3.058 N/A VAL 305.A N ASP 301.A O no hydrogen 3.118 N/A PHE 306.A N LEU 302.A O no hydrogen 2.855 N/A LEU 307.A N PRO 303.A O no hydrogen 3.271 N/A GLN 308.A N ALA 304.A O no hydrogen 3.021 N/A GLN 308.A NE2 ASP 312.A OD1 no hydrogen 3.002 N/A TYR 309.A N VAL 305.A O no hydrogen 2.929 N/A GLU 310.A N PHE 306.A O no hydrogen 2.859 N/A GLU 311.A N LEU 307.A O no hydrogen 3.312 N/A ASP 312.A N GLN 308.A O no hydrogen 3.067 N/A SER 313.A N TYR 309.A O no hydrogen 2.743 N/A SER 313.A OG TYR 341.A OH no hydrogen 2.860 N/A TYR 314.A N GLU 310.A O no hydrogen 2.939 N/A SER 315.A N GLU 311.A O no hydrogen 3.154 N/A SER 315.A OG GLU 311.A O no hydrogen 3.356 N/A HIS 316.A N ASP 312.A O no hydrogen 3.039 N/A HIS 316.A NE2 GLU 226.A OE1 no hydrogen 2.867 N/A ILE 317.A N SER 313.A O no hydrogen 2.827 N/A MET 318.A N TYR 314.A O no hydrogen 2.974 N/A ALA 319.A N SER 315.A O no hydrogen 2.962 N/A LEU 320.A N HIS 316.A O no hydrogen 3.047 N/A ILE 321.A N ILE 317.A O no hydrogen 2.873 N/A GLU 322.A N MET 318.A O no hydrogen 3.199 N/A GLN 323.A N ALA 319.A O no hydrogen 3.112 N/A TYR 324.A N LEU 320.A O no hydrogen 2.813 N/A ALA 325.A N ILE 321.A O no hydrogen 2.795 N/A LEU 328.A N ALA 325.A O no hydrogen 2.876 N/A VAL 332.A N PRO 329.A O no hydrogen 3.041 N/A PHE 333.A N PRO 330.A O no hydrogen 3.183 N/A LEU 334.A N PRO 330.A O no hydrogen 2.918 N/A GLY 335.A N ALA 331.A O no hydrogen 2.776 N/A ALA 337.A N PHE 333.A O no hydrogen 2.999 N/A ARG 338.A N LEU 334.A O no hydrogen 3.100 N/A LYS 339.A N GLY 335.A O no hydrogen 3.321 N/A ILE 340.A N LEU 336.A O no hydrogen 2.908 N/A ILE 340.A N ALA 337.A O no hydrogen 3.253 N/A TYR 341.A N ALA 337.A O no hydrogen 2.829 N/A TYR 341.A OH SER 313.A OG no hydrogen 2.860 N/A