Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6gub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N MET 2.A O no hydrogen 3.216 N/A GLN 6.A N ARG 23.A O no hydrogen 2.925 N/A VAL 8.A N LYS 21.A O no hydrogen 2.980 N/A ILE 11.A N VAL 19.A O no hydrogen 3.101 N/A GLY 14.A N GLY 17.A O no hydrogen 3.177 N/A GLY 17.A N GLY 14.A O no hydrogen 3.254 N/A VAL 18.A N LYS 35.A O no hydrogen 3.247 N/A VAL 19.A N GLY 12.A O no hydrogen 3.033 N/A TYR 20.A N LEU 33.A O no hydrogen 2.968 N/A LYS 21.A N GLU 9.A O no hydrogen 2.934 N/A ALA 22.A N VAL 31.A O no hydrogen 2.970 N/A ARG 23.A N GLN 6.A O no hydrogen 2.959 N/A ASN 24.A N GLU 29.A O no hydrogen 2.903 N/A LYS 25.A N ASN 4.A O no hydrogen 2.810 N/A LEU 26.A N ASN 24.A OD1 no hydrogen 3.090 N/A THR 27.A N ASN 24.A OD1 no hydrogen 3.163 N/A GLY 28.A N ASN 24.A O no hydrogen 2.907 N/A GLU 29.A N THR 27.A OG1 no hydrogen 3.331 N/A VAL 31.A N ALA 22.A O no hydrogen 2.880 N/A ALA 32.A N PHE 78.A O no hydrogen 2.926 N/A LEU 33.A N TYR 20.A O no hydrogen 2.900 N/A LYS 34.A N LEU 76.A O no hydrogen 2.920 N/A LYS 34.A NZ GLU 49.A OE1 no hydrogen 3.418 N/A LYS 34.A NZ GLU 49.A OE2 no hydrogen 2.781 N/A LYS 35.A N VAL 18.A O no hydrogen 2.947 N/A ILE 36.A N LEU 74.A O no hydrogen 2.747 N/A ARG 37.A N TYR 16.A O no hydrogen 3.210 N/A ALA 46.A N PRO 43.A O no hydrogen 3.213 N/A ILE 47.A N PRO 43.A O no hydrogen 3.253 N/A ARG 48.A N SER 44.A O no hydrogen 3.044 N/A GLU 49.A N THR 45.A O no hydrogen 3.082 N/A ILE 50.A N ALA 46.A O no hydrogen 2.964 N/A SER 51.A N ILE 47.A O no hydrogen 3.231 N/A SER 51.A OG ILE 47.A O no hydrogen 3.002 N/A SER 51.A OG ARG 48.A O no hydrogen 3.526 N/A LEU 52.A N ARG 48.A O no hydrogen 3.113 N/A LEU 53.A N GLU 49.A O no hydrogen 3.129 N/A LYS 54.A N ILE 50.A O no hydrogen 3.122 N/A LEU 56.A N LEU 52.A O no hydrogen 3.250 N/A ASN 60.A N HIS 58.A ND1 no hydrogen 2.985 N/A ASN 60.A ND2 GLN 108.A OE1 no hydrogen 2.972 N/A ASN 60.A ND2 ILE 139.A O no hydrogen 2.957 N/A ILE 61.A N HIS 58.A O no hydrogen 3.219 N/A VAL 62.A N LEU 141.A O no hydrogen 3.179 N/A LEU 65.A N VAL 77.A O no hydrogen 2.775 N/A VAL 67.A N ASP 66.A OD1 no hydrogen 2.945 N/A ILE 68.A N TYR 75.A O no hydrogen 3.015 N/A THR 70.A N LYS 73.A O no hydrogen 3.123 N/A TYR 75.A N ILE 68.A O no hydrogen 3.097 N/A LEU 76.A N LYS 34.A O no hydrogen 2.935 N/A VAL 77.A N ASP 66.A O no hydrogen 3.002 N/A PHE 78.A N ALA 32.A O no hydrogen 2.839 N/A GLU 79.A N LYS 63.A O no hydrogen 3.283 N/A LEU 85.A N LEU 131.A O no hydrogen 2.931 N/A LYS 86.A N PRO 128.A O no hydrogen 3.269 N/A LYS 86.A NZ ASP 90.A OD1 no hydrogen 3.063 N/A PHE 88.A N ASP 84.A O no hydrogen 3.128 N/A MET 89.A N LEU 85.A O no hydrogen 2.965 N/A ASP 90.A N LYS 86.A O no hydrogen 3.059 N/A ALA 91.A N LYS 87.A O no hydrogen 3.083 N/A SER 92.A N PHE 88.A O no hydrogen 2.924 N/A SER 92.A N MET 89.A O no hydrogen 3.175 N/A SER 92.A OG PHE 88.A O no hydrogen 3.401 N/A SER 92.A OG HIS 292.A NE2 no hydrogen 3.096 N/A ALA 93.A N ASP 90.A O no hydrogen 3.328 N/A THR 95.A N ALA 93.A O no hydrogen 3.149 N/A THR 95.A OG1 LEU 94.A O no hydrogen 2.335 N/A GLY 96.A N SER 92.A O no hydrogen 2.901 N/A ILE 102.A N PRO 98.A O no hydrogen 3.158 N/A LYS 103.A N LEU 99.A O no hydrogen 3.072 N/A LYS 103.A NZ PHE 282.A O no hydrogen 3.092 N/A LYS 103.A NZ ASP 285.A OD1 no hydrogen 3.158 N/A SER 104.A N PRO 100.A O no hydrogen 3.062 N/A SER 104.A OG THR 287.A O no hydrogen 3.327 N/A TYR 105.A N LEU 101.A O no hydrogen 2.943 N/A LEU 106.A N ILE 102.A O no hydrogen 3.141 N/A PHE 107.A N LYS 103.A O no hydrogen 3.014 N/A GLN 108.A N SER 104.A O no hydrogen 3.030 N/A GLN 108.A NE2 SER 104.A O no hydrogen 3.517 N/A GLN 108.A NE2 SER 104.A OG no hydrogen 3.021 N/A GLN 108.A NE2 GLY 137.A O no hydrogen 3.124 N/A LEU 109.A N TYR 105.A O no hydrogen 2.978 N/A LEU 110.A N LEU 106.A O no hydrogen 3.041 N/A GLN 111.A N PHE 107.A O no hydrogen 3.136 N/A GLY 112.A N GLN 108.A O no hydrogen 3.142 N/A LEU 113.A N LEU 109.A O no hydrogen 2.962 N/A ALA 114.A N LEU 110.A O no hydrogen 2.903 N/A PHE 115.A N GLN 111.A O no hydrogen 3.020 N/A CYS 116.A N GLY 112.A O no hydrogen 3.111 N/A CYS 116.A SG GLY 112.A O no hydrogen 3.573 N/A HIS 117.A N LEU 113.A O no hydrogen 3.063 N/A HIS 117.A NE2 ASP 182.A OD2 no hydrogen 2.889 N/A SER 118.A N ALA 114.A O no hydrogen 2.867 N/A SER 118.A OG ALA 114.A O no hydrogen 3.102 N/A HIS 119.A N PHE 115.A O no hydrogen 3.191 N/A HIS 119.A N CYS 116.A O no hydrogen 3.079 N/A HIS 119.A ND1 PHE 115.A O no hydrogen 2.832 N/A ARG 120.A N HIS 117.A O no hydrogen 3.174 N/A ARG 120.A NH1 GLU 55.A OE2 no hydrogen 2.850 N/A ARG 120.A NH1 HIS 119.A O no hydrogen 2.722 N/A ARG 120.A NH2 GLU 55.A OE1 no hydrogen 3.213 N/A ARG 120.A NH2 GLU 55.A OE2 no hydrogen 3.189 N/A VAL 121.A N CYS 116.A O no hydrogen 2.935 N/A LEU 122.A N ARG 148.A O no hydrogen 3.120 N/A HIS 123.A N ASP 182.A OD2 no hydrogen 2.960 N/A HIS 123.A NE2 ALA 142.A O no hydrogen 2.750 N/A ARG 124.A N ASP 182.A OD1 no hydrogen 3.022 N/A ARG 124.A NE LEU 146.A O no hydrogen 3.031 N/A ARG 124.A NH1 TYR 177.A OH no hydrogen 2.852 N/A ARG 124.A NH2 LEU 146.A O no hydrogen 2.986 N/A ASP 125.A N HIS 123.A ND1 no hydrogen 3.218 N/A LYS 127.A NZ THR 162.A OG1 no hydrogen 3.293 N/A GLN 129.A N GLN 129.A OE1 no hydrogen 2.883 N/A ASN 130.A N LYS 127.A O no hydrogen 3.010 N/A ASN 130.A ND2 ASP 125.A O no hydrogen 2.817 N/A ASN 130.A ND2 ASP 125.A OD2 no hydrogen 3.019 N/A LEU 131.A N PRO 128.A O no hydrogen 3.477 N/A LEU 132.A N LYS 140.A O no hydrogen 3.098 N/A ILE 133.A N GLN 83.A O no hydrogen 2.993 N/A ASN 134.A N ALA 138.A O no hydrogen 3.284 N/A GLU 136.A N ASN 134.A OD1 no hydrogen 2.975 N/A ALA 138.A N ASN 134.A OD1 no hydrogen 3.031 N/A ILE 139.A N GLN 108.A OE1 no hydrogen 3.275 N/A LYS 140.A N LEU 132.A O no hydrogen 2.935 N/A LYS 140.A NZ PRO 59.A O no hydrogen 3.321 N/A LYS 140.A NZ GLU 79.A OE2 no hydrogen 2.879 N/A LEU 141.A N ASN 60.A O no hydrogen 2.877 N/A ALA 142.A N ASN 130.A O no hydrogen 3.005 N/A GLY 145.A N ASP 143.A OD1 no hydrogen 3.063 N/A ALA 147.A N PHE 144.A O no hydrogen 3.338 N/A ARG 148.A N LEU 122.A O no hydrogen 3.123 N/A PHE 150.A N ARG 120.A O no hydrogen 2.928 N/A GLY 151.A N TYR 157.A OH no hydrogen 3.138 N/A THR 156.A OG1 LYS 175.A O no hydrogen 2.822 N/A THR 162.A OG1 ASP 125.A OD1 no hydrogen 3.041 N/A TRP 164.A NE1 GLY 202.A O no hydrogen 2.873 N/A TYR 165.A N THR 162.A O no hydrogen 2.960 N/A TYR 165.A OH GLU 192.A OE1 no hydrogen 2.555 N/A ARG 166.A N LEU 163.A O no hydrogen 3.165 N/A ARG 166.A NE VAL 161.A O no hydrogen 3.106 N/A ARG 166.A NH2 VAL 161.A O no hydrogen 3.001 N/A GLU 169.A N GLU 169.A OE2 no hydrogen 2.883 N/A ILE 170.A N ALA 167.A O no hydrogen 3.112 N/A LEU 171.A N ALA 167.A O no hydrogen 3.236 N/A LEU 172.A N PRO 168.A O no hydrogen 2.801 N/A GLY 173.A N ILE 170.A O no hydrogen 2.825 N/A CYS 174.A N GLU 169.A O no hydrogen 3.196 N/A THR 179.A N SER 178.A OG no hydrogen 2.606 N/A VAL 181.A N SER 178.A O no hydrogen 3.127 N/A ASP 182.A N THR 179.A O no hydrogen 3.116 N/A TRP 184.A N ALA 180.A O no hydrogen 3.099 N/A SER 185.A N VAL 181.A O no hydrogen 3.408 N/A SER 185.A OG TYR 165.A O no hydrogen 2.814 N/A SER 185.A OG VAL 181.A O no hydrogen 3.307 N/A LEU 186.A N ASP 182.A O no hydrogen 3.232 N/A GLY 187.A N ILE 183.A O no hydrogen 2.898 N/A CYS 188.A N TRP 184.A O no hydrogen 2.955 N/A CYS 188.A SG TRP 184.A O no hydrogen 3.461 N/A ILE 189.A N SER 185.A O no hydrogen 2.941 N/A PHE 190.A N LEU 186.A O no hydrogen 2.830 N/A ALA 191.A N GLY 187.A O no hydrogen 3.227 N/A GLU 192.A N CYS 188.A O no hydrogen 3.135 N/A MET 193.A N ILE 189.A O no hydrogen 2.933 N/A VAL 194.A N PHE 190.A O no hydrogen 3.291 N/A THR 195.A N ALA 191.A O no hydrogen 3.026 N/A THR 195.A OG1 ALA 191.A O no hydrogen 3.312 N/A ARG 196.A N GLU 192.A O no hydrogen 2.732 N/A ARG 197.A N THR 195.A OG1 no hydrogen 3.339 N/A GLY 202.A N PHE 200.A O no hydrogen 2.948 N/A GLY 202.A N GLN 208.A OE1 no hydrogen 3.003 N/A ASP 203.A N ASP 207.A OD2 no hydrogen 3.102 N/A ASP 207.A N SER 204.A OG no hydrogen 3.290 N/A GLN 208.A N SER 204.A O no hydrogen 2.997 N/A GLN 208.A NE2 TRP 164.A O no hydrogen 3.440 N/A GLN 208.A NE2 PHE 200.A O no hydrogen 2.853 N/A LEU 209.A N GLU 205.A O no hydrogen 3.028 N/A PHE 210.A N ILE 206.A O no hydrogen 3.070 N/A ARG 211.A N ASP 207.A O no hydrogen 2.912 N/A ARG 211.A NE ASP 207.A OD2 no hydrogen 3.187 N/A ILE 212.A N GLN 208.A O no hydrogen 3.194 N/A PHE 213.A N LEU 209.A O no hydrogen 2.991 N/A ARG 214.A N PHE 210.A O no hydrogen 2.953 N/A THR 215.A N ILE 212.A O no hydrogen 3.072 N/A THR 215.A OG1 ARG 211.A O no hydrogen 3.145 N/A LEU 216.A N ILE 212.A O no hydrogen 2.981 N/A GLY 217.A N PHE 213.A O no hydrogen 2.737 N/A THR 218.A N TRP 240.A O no hydrogen 3.243 N/A THR 218.A OG1 PRO 238.A O no hydrogen 2.568 N/A VAL 223.A N ASP 220.A OD1 no hydrogen 3.143 N/A TRP 224.A N ASP 220.A O no hydrogen 3.121 N/A GLY 226.A N GLU 221.A OE1 no hydrogen 2.917 N/A VAL 227.A N TRP 224.A O no hydrogen 3.156 N/A THR 228.A N GLU 221.A OE2 no hydrogen 3.343 N/A THR 228.A OG1 GLU 221.A OE2 no hydrogen 2.513 N/A SER 229.A N GLY 226.A O no hydrogen 3.086 N/A MET 230.A N VAL 227.A O no hydrogen 3.193 N/A ASP 232.A N LEU 172.A O no hydrogen 3.420 N/A TYR 233.A N MET 230.A O no hydrogen 2.905 N/A PHE 237.A N LYS 234.A O no hydrogen 2.909 N/A TRP 240.A N THR 218.A OG1 no hydrogen 3.084 N/A ARG 242.A NH1 LEU 216.A O no hydrogen 3.300 N/A GLN 243.A N THR 215.A O no hydrogen 3.327 N/A SER 246.A N ASP 244.A OD1 no hydrogen 3.254 N/A SER 246.A OG ASP 244.A OD2 no hydrogen 2.517 N/A LYS 247.A N ASP 244.A O no hydrogen 3.330 N/A VAL 249.A N PHE 245.A O no hydrogen 3.411 N/A LEU 252.A N VAL 249.A O no hydrogen 3.170 N/A GLY 256.A N ASP 253.A OD2 no hydrogen 3.332 N/A ARG 257.A N ASP 253.A O no hydrogen 3.176 N/A SER 258.A N GLU 254.A O no hydrogen 3.122 N/A SER 258.A OG GLN 262.A OE1 no hydrogen 3.302 N/A SER 258.A OG HIS 280.A NE2 no hydrogen 3.016 N/A LEU 259.A N ASP 255.A O no hydrogen 3.053 N/A LEU 260.A N GLY 256.A O no hydrogen 2.825 N/A SER 261.A N ARG 257.A O no hydrogen 2.996 N/A SER 261.A OG SER 258.A O no hydrogen 2.957 N/A GLN 262.A N SER 258.A O no hydrogen 3.206 N/A MET 263.A N LEU 259.A O no hydrogen 3.006 N/A LEU 264.A N LEU 260.A O no hydrogen 3.083 N/A TYR 266.A OH GLY 217.A O no hydrogen 2.698 N/A ASN 269.A N ASP 267.A OD1 no hydrogen 3.234 N/A LYS 270.A N ASP 267.A O no hydrogen 3.133 N/A ARG 271.A N ASP 267.A O no hydrogen 3.183 N/A ARG 271.A NE HIS 265.A O no hydrogen 2.914 N/A ARG 271.A NH1 GLU 169.A OE1 no hydrogen 2.901 N/A ARG 271.A NH1 GLU 169.A OE2 no hydrogen 3.365 N/A ARG 271.A NH1 ALA 180.A O no hydrogen 2.985 N/A ARG 271.A NH2 GLU 169.A OE2 no hydrogen 2.913 N/A ARG 271.A NH2 HIS 265.A O no hydrogen 3.283 N/A ARG 271.A NH2 TYR 266.A O no hydrogen 3.074 N/A ILE 272.A N GLN 262.A O no hydrogen 3.176 N/A ALA 276.A N SER 273.A OG no hydrogen 2.991 N/A ALA 277.A N SER 273.A O no hydrogen 2.965 N/A ALA 279.A N ALA 276.A O no hydrogen 3.172 N/A HIS 280.A N ALA 277.A O no hydrogen 3.051 N/A HIS 280.A NE2 SER 258.A OG no hydrogen 3.016 N/A PHE 282.A N HIS 280.A ND1 no hydrogen 3.170 N/A PHE 283.A N HIS 280.A O no hydrogen 3.067 N/A GLN 284.A N PRO 281.A O no hydrogen 3.115 N/A GLN 284.A NE2 ASP 255.A OD2 no hydrogen 3.487 N/A GLN 284.A NE2 PRO 281.A O no hydrogen 3.294 N/A VAL 286.A N PHE 283.A O no hydrogen 3.174 N/A HIS 292.A NE2 SER 92.A OG no hydrogen 3.096 N/A