Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ntr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N GLY 27.A O no hydrogen 3.205 N/A ARG 4.A N ASP 68.A OD2 no hydrogen 3.288 N/A ARG 4.A NH2 ASP 68.A OD1 no hydrogen 3.527 N/A ILE 5.A N GLU 29.A O no hydrogen 2.886 N/A GLY 6.A N ALA 69.A O no hydrogen 2.580 N/A VAL 7.A N ALA 32.A O no hydrogen 2.801 N/A ILE 8.A N LEU 71.A O no hydrogen 2.838 N/A GLY 9.A N THR 34.A O no hydrogen 2.932 N/A THR 10.A N ASP 35.A OD1 no hydrogen 3.220 N/A LYS 15.A N GLY 11.A O no hydrogen 3.206 N/A HIS 17.A N ILE 13.A O no hydrogen 3.248 N/A HIS 17.A NE2 GLU 96.A OE2 no hydrogen 2.893 N/A ILE 18.A N GLY 14.A O no hydrogen 3.212 N/A ASN 19.A N LYS 15.A O no hydrogen 3.051 N/A ARG 20.A N GLU 16.A O no hydrogen 2.980 N/A ARG 20.A NE ASP 281.A OD1 no hydrogen 2.677 N/A ARG 20.A NH1 HIS 17.A ND1 no hydrogen 2.914 N/A ILE 21.A N HIS 17.A O no hydrogen 3.064 N/A THR 22.A N ILE 18.A O no hydrogen 2.933 N/A THR 22.A OG1 ILE 18.A O no hydrogen 3.260 N/A ASN 23.A N ASN 19.A O no hydrogen 2.929 N/A ASN 23.A ND2 ASN 19.A OD1 no hydrogen 3.373 N/A LYS 24.A N ARG 20.A O no hydrogen 2.812 N/A LEU 25.A N ARG 20.A O no hydrogen 3.006 N/A SER 26.A N GLN 285.A OE1 no hydrogen 2.893 N/A GLU 29.A N LEU 3.A O no hydrogen 2.935 N/A VAL 31.A N ILE 5.A O no hydrogen 3.119 N/A VAL 33.A N THR 53.A O no hydrogen 3.222 N/A THR 34.A N VAL 7.A O no hydrogen 3.173 N/A THR 34.A OG1 TYR 55.A O no hydrogen 3.325 N/A ASN 37.A N ASP 35.A OD2 no hydrogen 2.707 N/A GLU 39.A N ASN 37.A OD1 no hydrogen 3.148 N/A ALA 40.A N ASN 37.A O no hydrogen 2.720 N/A ALA 40.A N ASN 37.A OD1 no hydrogen 3.182 N/A GLN 42.A N GLU 39.A O no hydrogen 3.273 N/A LYS 43.A N GLU 39.A O no hydrogen 3.129 N/A LYS 43.A NZ GLU 39.A OE2 no hydrogen 2.747 N/A VAL 44.A N ALA 40.A O no hydrogen 3.189 N/A VAL 45.A N ALA 41.A O no hydrogen 3.337 N/A GLU 46.A N GLN 42.A O no hydrogen 3.303 N/A GLN 47.A N LYS 43.A O no hydrogen 3.200 N/A TYR 48.A N VAL 44.A O no hydrogen 3.156 N/A GLN 49.A N GLU 46.A O no hydrogen 3.292 N/A LEU 50.A N VAL 45.A O no hydrogen 3.013 N/A THR 53.A N VAL 31.A O no hydrogen 2.826 N/A TYR 55.A N VAL 33.A O no hydrogen 3.199 N/A TYR 55.A OH ASP 64.A OD2 no hydrogen 2.370 N/A ASP 58.A N ASP 58.A OD1 no hydrogen 2.332 N/A SER 60.A N ASN 57.A OD1 no hydrogen 2.940 N/A SER 60.A OG ASN 57.A O no hydrogen 2.875 N/A SER 60.A OG ASN 57.A OD1 no hydrogen 2.937 N/A LEU 61.A N ASN 57.A O no hydrogen 3.289 N/A LEU 62.A N ASP 58.A O no hydrogen 2.752 N/A ALA 63.A N ASP 59.A O no hydrogen 2.786 N/A ASP 64.A N SER 60.A O no hydrogen 3.400 N/A ASN 66.A N ASP 64.A OD1 no hydrogen 2.464 N/A ASP 68.A N ARG 4.A O no hydrogen 3.043 N/A VAL 70.A N TYR 92.A O no hydrogen 2.300 N/A LEU 71.A N GLY 6.A O no hydrogen 2.880 N/A VAL 72.A N PHE 94.A O no hydrogen 2.793 N/A THR 73.A N ILE 8.A O no hydrogen 2.879 N/A THR 73.A OG1 GLY 9.A O no hydrogen 2.649 N/A ALA 78.A N TRP 75.A O no hydrogen 2.952 N/A HIS 79.A N GLY 76.A O no hydrogen 3.275 N/A HIS 79.A ND1 PRO 98.A O no hydrogen 2.640 N/A SER 82.A N ALA 78.A O no hydrogen 3.482 N/A SER 82.A OG ASP 58.A OD2 no hydrogen 3.507 N/A SER 82.A OG ALA 78.A O no hydrogen 3.404 N/A VAL 83.A N HIS 79.A O no hydrogen 2.990 N/A LEU 84.A N GLU 80.A O no hydrogen 3.290 N/A LYS 85.A N SER 81.A O no hydrogen 3.268 N/A LYS 85.A NZ ASP 58.A OD2 no hydrogen 3.288 N/A LYS 85.A NZ ASP 59.A OD2 no hydrogen 3.095 N/A ALA 86.A N SER 82.A O no hydrogen 3.027 N/A ILE 87.A N VAL 83.A O no hydrogen 2.951 N/A ILE 87.A N LEU 84.A O no hydrogen 3.311 N/A LYS 88.A N LEU 84.A O no hydrogen 3.336 N/A ALA 89.A N LYS 85.A O no hydrogen 2.868 N/A GLN 90.A N ILE 87.A O no hydrogen 3.181 N/A LYS 91.A N ALA 86.A O no hydrogen 3.038 N/A LYS 91.A NZ ASP 64.A O no hydrogen 2.916 N/A LYS 91.A NZ VAL 67.A O no hydrogen 2.978 N/A TYR 92.A N ASP 68.A O no hydrogen 2.906 N/A TYR 92.A OH GLY 295.A O no hydrogen 3.186 N/A VAL 93.A N LEU 120.A O no hydrogen 2.808 N/A PHE 94.A N VAL 70.A O no hydrogen 2.604 N/A CYS 95.A N GLN 122.A O no hydrogen 2.809 N/A CYS 95.A SG HIS 79.A ND1 no hydrogen 3.799 N/A CYS 95.A SG GLU 96.A O no hydrogen 3.435 N/A CYS 95.A SG PRO 98.A O no hydrogen 3.926 N/A CYS 95.A SG LEU 99.A O no hydrogen 3.946 N/A GLU 96.A N VAL 72.A O no hydrogen 3.293 N/A GLU 104.A N GLU 104.A OE2 no hydrogen 3.106 N/A CYS 106.A N THR 102.A O no hydrogen 3.244 N/A CYS 106.A SG ALA 100.A O no hydrogen 4.008 N/A CYS 106.A SG GLY 305.A O no hydrogen 3.600 N/A MET 107.A N ALA 103.A O no hydrogen 3.285 N/A ARG 108.A N GLU 104.A O no hydrogen 2.750 N/A ARG 108.A NE GLU 80.A OE2 no hydrogen 3.039 N/A ARG 108.A NH2 GLU 80.A OE2 no hydrogen 2.915 N/A ILE 109.A N GLY 105.A O no hydrogen 3.378 N/A VAL 110.A N CYS 106.A O no hydrogen 2.879 N/A GLU 111.A N MET 107.A O no hydrogen 3.055 N/A GLU 112.A N ARG 108.A O no hydrogen 3.236 N/A GLU 113.A N ILE 109.A O no hydrogen 3.250 N/A ILE 114.A N VAL 110.A O no hydrogen 2.999 N/A LYS 115.A N GLU 111.A O no hydrogen 3.385 N/A LYS 115.A NZ GLU 112.A OE2 no hydrogen 3.476 N/A VAL 116.A N GLU 112.A O no hydrogen 3.199 N/A GLY 117.A N ILE 114.A O no hydrogen 3.390 N/A LYS 118.A N VAL 116.A O no hydrogen 2.881 N/A LYS 118.A NZ TYR 92.A OH no hydrogen 3.366 N/A ARG 119.A NH2 PHE 335.A O no hydrogen 2.816 N/A LEU 120.A N GLU 113.A OE2 no hydrogen 3.357 N/A VAL 121.A N GLU 113.A OE2 no hydrogen 3.022 N/A GLN 122.A N VAL 93.A O no hydrogen 3.120 N/A GLN 122.A NE2 GLU 283.A O no hydrogen 3.669 N/A VAL 123.A N PRO 300.A O no hydrogen 3.001 N/A GLY 124.A N CYS 95.A O no hydrogen 2.710 N/A PHE 125.A N VAL 123.A O no hydrogen 2.843 N/A ARG 127.A NH2 GLU 177.A OE2 no hydrogen 2.882 N/A ARG 128.A NE ASP 179.A OD2 no hydrogen 2.914 N/A ARG 128.A NH1 ASP 304.A OD2 no hydrogen 3.540 N/A ARG 128.A NH2 ASP 179.A OD1 no hydrogen 2.727 N/A ARG 128.A NH2 ASP 179.A OD2 no hydrogen 3.339 N/A TYR 129.A N MET 126.A O no hydrogen 2.784 N/A TYR 129.A OH ASP 286.A OD2 no hydrogen 3.203 N/A ASP 130.A N ARG 127.A O no hydrogen 3.233 N/A TYR 133.A N ASP 130.A OD2 no hydrogen 3.479 N/A VAL 134.A N ASP 130.A O no hydrogen 3.080 N/A GLN 135.A N SER 131.A O no hydrogen 2.959 N/A GLN 135.A NE2 SER 131.A O no hydrogen 3.328 N/A LEU 136.A N GLY 132.A O no hydrogen 3.040 N/A LYS 137.A N TYR 133.A O no hydrogen 2.955 N/A LYS 137.A NZ TRP 183.A O no hydrogen 3.327 N/A GLU 138.A N VAL 134.A O no hydrogen 2.854 N/A ALA 139.A N GLN 135.A O no hydrogen 2.998 N/A LEU 140.A N LEU 136.A O no hydrogen 3.065 N/A ASP 141.A N LYS 137.A O no hydrogen 3.003 N/A ASN 142.A N GLU 138.A O no hydrogen 3.097 N/A ASN 142.A N ALA 139.A O no hydrogen 2.946 N/A ASN 142.A ND2 GLU 138.A O no hydrogen 3.311 N/A HIS 143.A N LEU 140.A O no hydrogen 3.235 N/A VAL 144.A N ALA 139.A O no hydrogen 3.183 N/A GLY 146.A N HIS 143.A O no hydrogen 2.870 N/A GLU 147.A N GLU 244.A OE1 no hydrogen 3.129 N/A LEU 149.A N VAL 242.A O no hydrogen 2.811 N/A MET 150.A N VAL 242.A O no hydrogen 3.165 N/A ILE 151.A N VAL 222.A O no hydrogen 2.912 N/A HIS 152.A N GLU 240.A O no hydrogen 2.834 N/A CYS 153.A N ASN 224.A O no hydrogen 3.096 N/A ALA 154.A N GLN 238.A O no hydrogen 2.893 N/A HIS 155.A N GLU 226.A O no hydrogen 2.919 N/A HIS 155.A ND1 GLU 177.A OE2 no hydrogen 2.735 N/A ARG 156.A N ASP 236.A O no hydrogen 2.983 N/A ARG 156.A NE GLU 226.A OE2 no hydrogen 3.269 N/A ARG 156.A NH1 TYR 233.A OH no hydrogen 2.961 N/A ARG 156.A NH2 GLU 226.A OE1 no hydrogen 3.204 N/A ASN 157.A N TYR 228.A O no hydrogen 3.021 N/A ASN 157.A ND2 THR 159.A O no hydrogen 2.508 N/A ASN 157.A ND2 VAL 229.A O no hydrogen 3.137 N/A THR 159.A OG1 ASN 230.A OD1 no hydrogen 3.044 N/A TYR 164.A OH THR 173.A OG1 no hydrogen 2.633 N/A THR 165.A OG1 ASP 167.A OD1 no hydrogen 2.487 N/A THR 166.A OG1 HIS 206.A O no hydrogen 3.493 N/A MET 168.A N THR 165.A O no hydrogen 2.765 N/A VAL 170.A N ASP 167.A O no hydrogen 2.868 N/A VAL 171.A N MET 168.A O no hydrogen 3.114 N/A ASP 172.A N MET 168.A O no hydrogen 2.815 N/A THR 173.A N MET 168.A O no hydrogen 3.124 N/A THR 173.A OG1 TYR 164.A OH no hydrogen 2.633 N/A LEU 174.A N ALA 169.A O no hydrogen 2.903 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.650 N/A ILE 178.A N LEU 174.A O no hydrogen 2.994 N/A ASP 179.A N VAL 175.A O no hydrogen 2.967 N/A VAL 180.A N HIS 176.A O no hydrogen 2.777 N/A LEU 181.A N GLU 177.A O no hydrogen 2.686 N/A HIS 182.A ND1 ILE 178.A O no hydrogen 3.046 N/A TRP 183.A N ASP 179.A O no hydrogen 3.222 N/A LEU 184.A N VAL 180.A O no hydrogen 3.142 N/A LEU 184.A N LEU 181.A O no hydrogen 3.176 N/A VAL 185.A N LEU 181.A O no hydrogen 3.227 N/A ASN 186.A N HIS 182.A O no hydrogen 2.978 N/A ASP 188.A N ASP 187.A OD1 no hydrogen 2.999 N/A TYR 189.A OH ILE 178.A O no hydrogen 2.582 N/A GLU 190.A N GLU 216.A O no hydrogen 3.044 N/A SER 191.A N GLU 216.A O no hydrogen 3.471 N/A ILE 195.A N ILE 212.A O no hydrogen 3.411 N/A TYR 196.A OH GLN 319.A O no hydrogen 2.962 N/A LYS 199.A NZ LEU 204.A O no hydrogen 2.844 N/A LYS 199.A NZ PRO 205.A O no hydrogen 3.514 N/A SER 200.A N ASP 209.A O no hydrogen 2.861 N/A SER 200.A OG TYR 228.A OH no hydrogen 2.822 N/A LYS 201.A NZ ASN 202.A OD1 no hydrogen 3.270 N/A ASN 202.A N SER 200.A OG no hydrogen 3.066 N/A ASN 202.A ND2 ASN 230.A O no hydrogen 2.948 N/A ALA 203.A N SER 200.A O no hydrogen 3.353 N/A HIS 206.A NE2 TYR 164.A O no hydrogen 3.059 N/A LEU 207.A N LEU 204.A O no hydrogen 3.360 N/A LYS 208.A N THR 166.A OG1 no hydrogen 3.008 N/A GLN 211.A N ILE 227.A O no hydrogen 3.145 N/A GLN 211.A NE2 LYS 208.A O no hydrogen 2.891 N/A ILE 212.A N ILE 195.A O no hydrogen 2.868 N/A VAL 214.A N GLN 193.A O no hydrogen 2.869 N/A ILE 215.A N ILE 223.A O no hydrogen 2.933 N/A GLU 216.A N SER 191.A O no hydrogen 3.028 N/A THR 217.A N ILE 221.A O no hydrogen 3.084 N/A THR 217.A OG1 ASP 187.A OD2 no hydrogen 2.986 N/A THR 217.A OG1 ILE 221.A O no hydrogen 3.474 N/A LYS 218.A N ASP 188.A O no hydrogen 3.093 N/A LYS 218.A NZ TYR 189.A O no hydrogen 3.161 N/A GLY 219.A N ASP 187.A OD2 no hydrogen 2.816 N/A VAL 222.A N LEU 149.A O no hydrogen 3.126 N/A ILE 223.A N ILE 215.A O no hydrogen 3.024 N/A ASN 224.A N ILE 151.A O no hydrogen 3.020 N/A ASN 224.A ND2 HIS 152.A ND1 no hydrogen 3.160 N/A ALA 225.A N VAL 213.A O no hydrogen 3.075 N/A GLU 226.A N CYS 153.A O no hydrogen 2.764 N/A ILE 227.A N GLN 211.A O no hydrogen 3.088 N/A TYR 228.A N HIS 155.A O no hydrogen 3.135 N/A TYR 228.A OH SER 200.A OG no hydrogen 2.822 N/A VAL 229.A N ASP 209.A OD1 no hydrogen 3.191 N/A ASN 230.A ND2 ASP 209.A OD2 no hydrogen 2.639 N/A CYS 231.A N ASN 157.A O no hydrogen 3.014 N/A CYS 231.A SG ASN 157.A O no hydrogen 3.594 N/A CYS 231.A SG GLY 234.A O no hydrogen 3.348 N/A LYS 232.A N PRO 158.A O no hydrogen 2.826 N/A TYR 233.A OH ASP 236.A OD2 no hydrogen 2.783 N/A TYR 235.A N LEU 269.A O no hydrogen 2.746 N/A TYR 235.A OH HIS 155.A NE2 no hydrogen 3.094 N/A ASP 236.A N ARG 156.A O no hydrogen 2.958 N/A GLN 238.A N ALA 154.A O no hydrogen 3.068 N/A GLN 238.A NE2 ASP 236.A OD1 no hydrogen 2.832 N/A GLN 238.A NE2 ASP 236.A OD2 no hydrogen 3.387 N/A GLN 238.A NE2 GLU 252.A OE2 no hydrogen 3.122 N/A GLU 240.A N HIS 152.A O no hydrogen 2.770 N/A ILE 241.A N ILE 248.A O no hydrogen 2.878 N/A VAL 242.A N MET 150.A O no hydrogen 2.792 N/A GLY 243.A N GLY 246.A O no hydrogen 2.823 N/A GLU 244.A N GLU 147.A O no hydrogen 2.946 N/A ASP 245.A N ILE 145.A O no hydrogen 3.150 N/A ILE 248.A N ILE 241.A O no hydrogen 3.171 N/A LEU 250.A N CYS 239.A O no hydrogen 2.867 N/A SER 255.A OG ILE 256.A O no hydrogen 3.196 N/A LEU 258.A N SER 265.A O no hydrogen 2.846 N/A LYS 260.A N ARG 263.A O no hydrogen 3.185 N/A ARG 263.A N LYS 260.A O no hydrogen 3.179 N/A SER 265.A N LEU 258.A O no hydrogen 2.964 N/A ASP 267.A N SER 255.A OG no hydrogen 3.138 N/A GLN 273.A N GLN 273.A OE1 no hydrogen 2.957 N/A ARG 274.A N ASP 271.A O no hydrogen 2.776 N/A ARG 275.A NH1 ASP 130.A OD1 no hydrogen 3.315 N/A ARG 275.A NH1 ARG 275.A O no hydrogen 2.854 N/A ALA 279.A N PHE 276.A O no hydrogen 2.639 N/A TYR 280.A N PHE 276.A O no hydrogen 3.184 N/A ASP 281.A N VAL 277.A O no hydrogen 3.467 N/A VAL 282.A N ALA 278.A O no hydrogen 3.301 N/A GLU 283.A N ALA 279.A O no hydrogen 2.957 N/A GLU 283.A N TYR 280.A O no hydrogen 2.937 N/A ILE 284.A N TYR 280.A O no hydrogen 3.009 N/A GLN 285.A N ASP 281.A O no hydrogen 3.159 N/A GLN 285.A NE2 SER 26.A O no hydrogen 3.150 N/A GLN 285.A NE2 GLN 285.A O no hydrogen 3.183 N/A GLN 285.A NE2 ASP 289.A OD1 no hydrogen 3.169 N/A GLN 285.A NE2 ASP 289.A OD2 no hydrogen 3.363 N/A ASP 286.A N VAL 282.A O no hydrogen 3.116 N/A ASP 286.A N GLU 283.A O no hydrogen 3.267 N/A PHE 287.A N GLU 283.A O no hydrogen 3.049 N/A ILE 288.A N ILE 284.A O no hydrogen 3.005 N/A ASP 289.A N GLN 285.A O no hydrogen 2.955 N/A SER 290.A N ASP 286.A O no hydrogen 2.925 N/A SER 290.A OG GLU 296.A O no hydrogen 3.119 N/A ILE 291.A N PHE 287.A O no hydrogen 3.075 N/A ILE 291.A N ILE 288.A O no hydrogen 2.760 N/A GLN 292.A N ILE 288.A O no hydrogen 3.092 N/A GLN 292.A NE2 GLY 27.A O no hydrogen 2.749 N/A LYS 294.A N ILE 291.A O no hydrogen 3.294 N/A LYS 294.A NZ SER 298.A OG no hydrogen 3.287 N/A GLY 295.A N ILE 291.A O no hydrogen 2.881 N/A VAL 297.A N ARG 119.A O no hydrogen 3.165 N/A THR 301.A N ASP 304.A OD2 no hydrogen 3.152 N/A TRP 303.A N THR 301.A OG1 no hydrogen 3.010 N/A ASP 304.A N THR 301.A OG1 no hydrogen 2.935 N/A GLY 305.A N THR 301.A O no hydrogen 3.266 N/A TYR 306.A N ALA 302.A O no hydrogen 3.323 N/A ILE 307.A N TRP 303.A O no hydrogen 2.986 N/A ALA 308.A N ASP 304.A O no hydrogen 3.113 N/A ALA 309.A N GLY 305.A O no hydrogen 3.057 N/A VAL 310.A N TYR 306.A O no hydrogen 2.869 N/A THR 311.A N ILE 307.A O no hydrogen 3.077 N/A THR 311.A OG1 ILE 307.A O no hydrogen 2.884 N/A THR 312.A N ALA 308.A O no hydrogen 2.656 N/A THR 312.A OG1 VAL 170.A O no hydrogen 3.384 N/A THR 312.A OG1 ALA 308.A O no hydrogen 3.143 N/A ASP 313.A N ALA 309.A O no hydrogen 3.006 N/A ALA 314.A N VAL 310.A O no hydrogen 2.871 N/A CYS 315.A N THR 311.A O no hydrogen 3.118 N/A CYS 315.A SG THR 311.A O no hydrogen 3.135 N/A VAL 316.A N THR 312.A O no hydrogen 3.183 N/A LYS 317.A N ASP 313.A O no hydrogen 2.949 N/A ALA 318.A N ALA 314.A O no hydrogen 3.159 N/A ALA 318.A N CYS 315.A O no hydrogen 2.737 N/A GLN 319.A NE2 THR 166.A O no hydrogen 2.562 N/A GLN 319.A NE2 GLN 211.A OE1 no hydrogen 3.169 N/A SER 321.A OG GLU 325.A OE2 no hydrogen 2.558 N/A GLY 322.A N ALA 318.A O no hydrogen 3.272 N/A GLN 323.A N SER 321.A OG no hydrogen 2.868 N/A LYS 330.A N TYR 306.A OH no hydrogen 3.256 N/A TYR 336.A N PRO 333.A O no hydrogen 2.972 N/A TYR 336.A OH GLU 113.A OE1 no hydrogen 2.493 N/A GLN 337.A N GLU 334.A O no hydrogen 3.211 N/A