Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4umr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N GLU 1.A OE1 no hydrogen 2.805 N/A LEU 3.A N GLU 1.A O no hydrogen 2.694 N/A LYS 4.A NZ TYR 6.A O no hydrogen 3.434 N/A TYR 6.A N LEU 3.A O no hydrogen 3.393 N/A TYR 6.A OH HIS 69.A ND1 no hydrogen 2.803 N/A GLU 7.A N CYS 24.A O no hydrogen 3.021 N/A HIS 9.A N LEU 22.A O no hydrogen 2.811 N/A ILE 12.A N VAL 20.A O no hydrogen 2.970 N/A GLY 15.A N ALA 18.A O no hydrogen 2.939 N/A LYS 19.A N ILE 36.A O no hydrogen 3.307 N/A LYS 19.A NZ THR 14.A OG1 no hydrogen 2.807 N/A VAL 20.A N GLY 13.A O no hydrogen 2.901 N/A LYS 21.A N ILE 34.A O no hydrogen 2.757 N/A LEU 22.A N GLU 10.A O no hydrogen 2.889 N/A ALA 23.A N VAL 32.A O no hydrogen 2.987 N/A CYS 24.A N GLU 7.A O no hydrogen 2.900 N/A CYS 24.A SG GLY 29.A O no hydrogen 3.618 N/A HIS 25.A N GLU 30.A O no hydrogen 2.904 N/A HIS 25.A ND1 THR 28.A OG1 no hydrogen 2.764 N/A ILE 26.A N TYR 5.A O no hydrogen 2.795 N/A THR 28.A N HIS 25.A ND1 no hydrogen 3.211 N/A THR 28.A OG1 HIS 25.A ND1 no hydrogen 2.764 N/A GLY 29.A N HIS 25.A O no hydrogen 2.877 N/A GLU 30.A N THR 28.A OG1 no hydrogen 3.313 N/A VAL 32.A N ALA 23.A O no hydrogen 2.865 N/A ALA 33.A N LEU 81.A O no hydrogen 2.962 N/A ILE 34.A N LYS 21.A O no hydrogen 2.744 N/A LYS 35.A N MET 79.A O no hydrogen 2.894 N/A LYS 35.A NZ ASP 145.A OD1 no hydrogen 3.064 N/A ILE 36.A N LYS 19.A O no hydrogen 2.757 N/A MET 37.A N ILE 77.A O no hydrogen 2.812 N/A LYS 39.A N ASN 75.A O no hydrogen 2.837 N/A LYS 39.A NZ GLU 72.A OE2 no hydrogen 2.813 N/A LYS 39.A NZ THR 73.A O no hydrogen 2.799 N/A ASN 40.A ND2 ASP 38.A OD2 no hydrogen 2.869 N/A THR 41.A OG1 ASP 38.A OD2 no hydrogen 3.286 N/A LEU 42.A N ASP 38.A O no hydrogen 3.142 N/A GLY 43.A N LYS 39.A O no hydrogen 2.972 N/A SER 44.A OG ASP 45.A OD1 no hydrogen 3.460 N/A LEU 46.A N GLY 43.A O no hydrogen 3.197 N/A LYS 50.A N LEU 46.A O no hydrogen 2.962 N/A LYS 50.A NZ GLU 72.A OE1 no hydrogen 2.915 N/A THR 51.A N PRO 47.A O no hydrogen 2.998 N/A THR 51.A OG1 PRO 47.A O no hydrogen 2.717 N/A GLU 52.A N ARG 48.A O no hydrogen 3.097 N/A ILE 53.A N ILE 49.A O no hydrogen 2.780 N/A GLU 54.A N LYS 50.A O no hydrogen 2.974 N/A ALA 55.A N THR 51.A O no hydrogen 2.989 N/A LEU 56.A N GLU 52.A O no hydrogen 3.097 N/A LYS 57.A N ILE 53.A O no hydrogen 3.056 N/A LYS 57.A NZ GLU 54.A OE2 no hydrogen 2.981 N/A ASN 58.A N ALA 55.A O no hydrogen 2.811 N/A ASN 58.A ND2 TYR 123.A OH no hydrogen 2.994 N/A ARG 60.A N TYR 117.A OH no hydrogen 3.092 N/A GLN 62.A N GLN 62.A OE1 no hydrogen 2.792 N/A GLN 62.A NE2 GLN 254.A O no hydrogen 3.519 N/A HIS 63.A N HIS 61.A ND1 no hydrogen 3.020 N/A HIS 63.A ND1 LEU 141.A O no hydrogen 2.770 N/A ILE 64.A N HIS 61.A O no hydrogen 3.298 N/A CYS 65.A N LEU 143.A O no hydrogen 3.099 N/A CYS 65.A SG GLU 82.A O no hydrogen 3.619 N/A GLN 66.A N GLU 82.A OE1 no hydrogen 3.065 N/A GLN 66.A NE2 LEU 67.A O no hydrogen 3.398 N/A TYR 68.A N VAL 80.A O no hydrogen 2.663 N/A HIS 69.A ND1 TYR 6.A OH no hydrogen 2.803 N/A VAL 70.A N TYR 290.A O no hydrogen 2.798 N/A LEU 71.A N PHE 78.A O no hydrogen 2.787 N/A THR 73.A N LYS 76.A O no hydrogen 2.777 N/A THR 73.A OG1 GLU 1.A OE2 no hydrogen 3.263 N/A THR 73.A OG1 LYS 76.A O no hydrogen 3.274 N/A LYS 76.A N THR 73.A OG1 no hydrogen 3.346 N/A ILE 77.A N MET 37.A O no hydrogen 2.885 N/A PHE 78.A N LEU 71.A O no hydrogen 2.709 N/A MET 79.A N LYS 35.A O no hydrogen 2.950 N/A VAL 80.A N HIS 69.A O no hydrogen 2.767 N/A LEU 81.A N ALA 33.A O no hydrogen 2.813 N/A GLU 82.A N GLN 66.A O no hydrogen 2.803 N/A CYS 84.A SG GLU 82.A O no hydrogen 3.539 N/A GLY 87.A N CYS 84.A O no hydrogen 3.475 N/A LEU 89.A N LEU 133.A O no hydrogen 2.749 N/A PHE 90.A N PRO 130.A O no hydrogen 3.379 N/A TYR 92.A N GLU 88.A O no hydrogen 3.045 N/A TYR 92.A OH GLU 103.A OE1 no hydrogen 3.290 N/A TYR 92.A OH GLU 103.A OE2 no hydrogen 2.733 N/A ILE 93.A N LEU 89.A O no hydrogen 3.046 N/A ILE 94.A N PHE 90.A O no hydrogen 3.421 N/A SER 95.A OG ASP 91.A O no hydrogen 2.869 N/A SER 95.A OG TYR 92.A O no hydrogen 2.717 N/A SER 95.A OG GLN 96.A OE1 no hydrogen 3.509 N/A GLN 96.A N ILE 93.A O no hydrogen 2.895 N/A LEU 99.A N LEU 182.A O no hydrogen 2.968 N/A GLU 103.A N SER 100.A OG no hydrogen 3.003 N/A THR 104.A N SER 100.A O no hydrogen 2.854 N/A THR 104.A OG1 SER 100.A O no hydrogen 3.030 N/A THR 104.A OG1 GLU 101.A O no hydrogen 2.751 N/A ARG 105.A N GLU 101.A O no hydrogen 2.955 N/A ARG 105.A NH1 ASP 246.A OD2 no hydrogen 2.806 N/A ARG 105.A NH2 GLU 101.A OE2 no hydrogen 2.819 N/A VAL 106.A N GLU 102.A O no hydrogen 3.216 N/A VAL 107.A N GLU 103.A O no hydrogen 3.072 N/A PHE 108.A N THR 104.A O no hydrogen 2.579 N/A ARG 109.A N ARG 105.A O no hydrogen 2.854 N/A ARG 109.A NH1 ILE 243.A O no hydrogen 3.015 N/A ARG 109.A NH1 TYR 249.A O no hydrogen 2.752 N/A ARG 109.A NH2 TYR 249.A O no hydrogen 3.134 N/A ARG 109.A NH2 PRO 250.A O no hydrogen 3.386 N/A GLN 110.A N VAL 107.A O no hydrogen 2.904 N/A GLN 110.A NE2 VAL 106.A O no hydrogen 2.805 N/A ILE 111.A N VAL 107.A O no hydrogen 3.257 N/A VAL 112.A N PHE 108.A O no hydrogen 2.958 N/A SER 113.A N ARG 109.A O no hydrogen 3.162 N/A SER 113.A OG GLU 252.A O no hydrogen 3.150 N/A ALA 114.A N GLN 110.A O no hydrogen 3.031 N/A VAL 115.A N ILE 111.A O no hydrogen 2.924 N/A VAL 115.A N VAL 112.A O no hydrogen 3.138 N/A ALA 116.A N VAL 112.A O no hydrogen 2.776 N/A TYR 117.A N SER 113.A O no hydrogen 3.033 N/A VAL 118.A N ALA 114.A O no hydrogen 3.198 N/A HIS 119.A N VAL 115.A O no hydrogen 2.995 N/A HIS 119.A NE2 ASP 171.A OD2 no hydrogen 2.498 N/A SER 120.A N ALA 116.A O no hydrogen 2.953 N/A SER 120.A OG TYR 117.A O no hydrogen 2.641 N/A SER 120.A OG GLN 121.A OE1 no hydrogen 3.254 N/A GLN 121.A N TYR 117.A O no hydrogen 3.079 N/A GLN 121.A N VAL 118.A O no hydrogen 3.143 N/A GLY 122.A N HIS 119.A O no hydrogen 2.835 N/A TYR 123.A N VAL 118.A O no hydrogen 3.163 N/A HIS 125.A NE2 ILE 144.A O no hydrogen 2.805 N/A ARG 126.A N ASP 171.A OD1 no hydrogen 3.233 N/A GLU 131.A N GLU 131.A OE1 no hydrogen 2.796 N/A ASN 132.A N LYS 129.A O no hydrogen 2.737 N/A LEU 133.A N PRO 130.A O no hydrogen 3.297 N/A LEU 134.A N LYS 142.A O no hydrogen 2.831 N/A PHE 135.A N GLY 87.A O no hydrogen 2.686 N/A ASP 136.A N LYS 140.A O no hydrogen 3.020 N/A GLU 137.A N GLU 137.A OE1 no hydrogen 2.823 N/A TYR 138.A N ASP 136.A OD1 no hydrogen 3.199 N/A HIS 139.A N ASP 136.A O no hydrogen 2.797 N/A LYS 140.A N ASP 136.A OD1 no hydrogen 2.799 N/A LEU 141.A N GLN 110.A OE1 no hydrogen 3.031 N/A LYS 142.A N LEU 134.A O no hydrogen 2.762 N/A LYS 142.A NZ GLN 62.A O no hydrogen 2.828 N/A LYS 142.A NZ GLU 82.A OE2 no hydrogen 2.918 N/A LEU 143.A N HIS 63.A O no hydrogen 2.799 N/A ILE 144.A N ASN 132.A O no hydrogen 3.025 N/A TYR 154.A N SER 151.A O no hydrogen 3.146 N/A ALA 155.A N LEU 152.A O no hydrogen 3.348 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 3.071 N/A LEU 159.A N ALA 156.A O no hydrogen 3.042 N/A ILE 160.A N ALA 156.A O no hydrogen 3.000 N/A GLN 161.A N PRO 157.A O no hydrogen 3.277 N/A LYS 163.A N GLU 158.A O no hydrogen 3.137 N/A ALA 170.A N LEU 166.A O no hydrogen 3.118 N/A ASP 171.A N GLY 167.A O no hydrogen 3.238 N/A VAL 172.A N SER 168.A O no hydrogen 2.862 N/A TRP 173.A N GLU 169.A O no hydrogen 3.248 N/A SER 174.A N ALA 170.A O no hydrogen 2.993 N/A SER 174.A OG TYR 154.A O no hydrogen 3.307 N/A SER 174.A OG ALA 170.A O no hydrogen 3.082 N/A MET 175.A N ASP 171.A O no hydrogen 3.149 N/A GLY 176.A N VAL 172.A O no hydrogen 3.027 N/A ILE 177.A N TRP 173.A O no hydrogen 3.059 N/A LEU 178.A N SER 174.A O no hydrogen 2.991 N/A LEU 179.A N MET 175.A O no hydrogen 2.826 N/A TYR 180.A N GLY 176.A O no hydrogen 2.928 N/A TYR 180.A OH ASP 207.A O no hydrogen 2.663 N/A VAL 181.A N ILE 177.A O no hydrogen 2.987 N/A LEU 182.A N LEU 178.A O no hydrogen 2.902 N/A MET 183.A N LEU 179.A O no hydrogen 3.315 N/A MET 183.A N TYR 180.A O no hydrogen 3.238 N/A CYS 184.A N TYR 180.A O no hydrogen 2.972 N/A CYS 184.A SG TYR 180.A O no hydrogen 3.433 N/A GLY 185.A N VAL 181.A O no hydrogen 2.831 N/A LEU 197.A N THR 193.A O no hydrogen 3.382 N/A VAL 198.A N ALA 194.A O no hydrogen 3.134 N/A ALA 199.A N ALA 195.A O no hydrogen 2.898 N/A LYS 200.A N ALA 196.A O no hydrogen 3.156 N/A LYS 200.A NZ ASP 190.A O no hydrogen 2.809 N/A LYS 200.A NZ ASP 191.A OD2 no hydrogen 2.811 N/A ILE 201.A N LEU 197.A O no hydrogen 3.231 N/A MET 202.A N VAL 198.A O no hydrogen 3.304 N/A ARG 203.A N ALA 199.A O no hydrogen 2.947 N/A GLY 204.A N LYS 200.A O no hydrogen 3.035 N/A TRP 211.A NE1 MET 183.A O no hydrogen 2.952 N/A LEU 212.A N PRO 209.A O no hydrogen 3.248 N/A SER 213.A OG GLU 101.A OE1 no hydrogen 2.691 N/A SER 213.A OG GLU 101.A OE2 no hydrogen 2.960 N/A SER 213.A OG SER 215.A OG no hydrogen 3.212 N/A SER 213.A OG SER 216.A OG no hydrogen 3.067 N/A SER 215.A OG SER 213.A OG no hydrogen 3.212 N/A SER 215.A OG GLN 245.A OE1 no hydrogen 3.155 N/A SER 216.A N SER 213.A OG no hydrogen 3.392 N/A SER 216.A OG GLU 101.A OE1 no hydrogen 2.714 N/A SER 216.A OG SER 213.A OG no hydrogen 3.067 N/A ILE 217.A N SER 213.A O no hydrogen 3.127 N/A LEU 218.A N PRO 214.A O no hydrogen 2.822 N/A LEU 219.A N SER 215.A O no hydrogen 2.808 N/A LEU 220.A N SER 216.A O no hydrogen 2.785 N/A GLN 221.A N ILE 217.A O no hydrogen 2.890 N/A GLN 222.A N LEU 218.A O no hydrogen 3.176 N/A MET 223.A N LEU 219.A O no hydrogen 3.040 N/A MET 223.A N LEU 220.A O no hydrogen 3.184 N/A LEU 224.A N LEU 220.A O no hydrogen 2.881 N/A LYS 230.A N ASP 227.A O no hydrogen 2.876 N/A ARG 231.A N ASP 227.A O no hydrogen 3.282 N/A ARG 231.A N PRO 228.A O no hydrogen 3.169 N/A ARG 231.A NE GLU 169.A O no hydrogen 2.795 N/A ARG 231.A NH1 GLN 225.A O no hydrogen 2.687 N/A ARG 231.A NH1 VAL 226.A O no hydrogen 3.205 N/A ARG 231.A NH2 GLU 158.A OE1 no hydrogen 2.757 N/A ILE 232.A N GLN 222.A O no hydrogen 3.112 N/A SER 233.A OG ASN 236.A OD1 no hydrogen 2.720 N/A ASN 236.A N SER 233.A OG no hydrogen 3.228 N/A LEU 237.A N SER 233.A O no hydrogen 3.030 N/A LEU 237.A N MET 234.A O no hydrogen 3.178 N/A LEU 238.A N MET 234.A O no hydrogen 3.242 N/A ASN 239.A ND2 ASN 236.A O no hydrogen 3.279 N/A HIS 240.A N LEU 237.A O no hydrogen 3.288 N/A HIS 240.A NE2 GLN 222.A OE1 no hydrogen 2.829 N/A TRP 242.A N HIS 240.A ND1 no hydrogen 2.880 N/A TRP 242.A NE1 SER 216.A OG no hydrogen 3.039 N/A MET 244.A N HIS 240.A O no hydrogen 3.020 N/A GLN 245.A N TRP 242.A O no hydrogen 3.037 N/A GLN 245.A NE2 SER 215.A OG no hydrogen 3.187 N/A ASN 248.A ND2 MET 244.A O no hydrogen 3.486 N/A TYR 249.A N TYR 247.A O no hydrogen 2.883 N/A VAL 251.A N LEU 238.A O no hydrogen 2.914 N/A SER 255.A OG ARG 60.A O no hydrogen 2.722 N/A LYS 256.A N GLN 62.A OE1 no hydrogen 3.146 N/A LYS 256.A NZ GLU 252.A OE1 no hydrogen 3.297 N/A ASN 257.A ND2 SER 255.A OG no hydrogen 3.256 N/A ASP 263.A N TYR 297.A OH no hydrogen 2.814 N/A CYS 266.A N ASP 263.A OD2 no hydrogen 3.183 N/A CYS 266.A SG ASP 263.A OD2 no hydrogen 3.271 N/A VAL 267.A N ASP 263.A O no hydrogen 3.165 N/A THR 268.A N ASP 264.A O no hydrogen 2.816 N/A GLU 269.A N ASP 265.A O no hydrogen 2.984 N/A LEU 270.A N CYS 266.A O no hydrogen 2.933 N/A SER 271.A N VAL 267.A O no hydrogen 2.903 N/A SER 271.A OG VAL 267.A O no hydrogen 2.844 N/A VAL 272.A N THR 268.A O no hydrogen 3.045 N/A HIS 273.A N GLU 269.A O no hydrogen 3.191 N/A HIS 274.A N LEU 270.A O no hydrogen 2.836 N/A ASN 276.A N SER 271.A O no hydrogen 3.227 N/A ASN 276.A ND2 ASN 277.A O no hydrogen 3.538 N/A ARG 278.A NH1 ASP 264.A O no hydrogen 3.461 N/A THR 280.A OG1 ASN 277.A O no hydrogen 3.386 N/A THR 280.A OG1 ASN 277.A OD1 no hydrogen 2.983 N/A MET 281.A N ASN 277.A O no hydrogen 2.912 N/A GLU 282.A N ARG 278.A O no hydrogen 2.798 N/A ASP 283.A N GLN 279.A O no hydrogen 2.973 N/A LEU 284.A N THR 280.A O no hydrogen 3.263 N/A ILE 285.A N MET 281.A O no hydrogen 3.045 N/A SER 286.A N GLU 282.A O no hydrogen 2.917 N/A SER 286.A OG GLU 282.A O no hydrogen 3.235 N/A TRP 288.A N ILE 285.A O no hydrogen 2.840 N/A TYR 290.A N THR 294.A OG1 no hydrogen 3.142 N/A LEU 293.A N ASP 291.A OD1 no hydrogen 3.299 N/A THR 294.A N ASP 291.A OD1 no hydrogen 3.465 N/A THR 294.A OG1 ASP 291.A OD1 no hydrogen 3.216 N/A ALA 295.A N ASP 291.A O no hydrogen 3.222 N/A THR 296.A N HIS 292.A O no hydrogen 2.879 N/A THR 296.A OG1 HIS 292.A O no hydrogen 2.659 N/A TYR 297.A N LEU 293.A O no hydrogen 2.786 N/A LEU 298.A N THR 294.A O no hydrogen 2.902 N/A LEU 299.A N ALA 295.A O no hydrogen 2.798 N/A LEU 300.A N THR 296.A O no hydrogen 2.838 N/A LEU 301.A N TYR 297.A O no hydrogen 2.849 N/A ALA 302.A N LEU 298.A O no hydrogen 3.163 N/A LYS 303.A N LEU 299.A O no hydrogen 3.042 N/A LYS 303.A NZ PRO 309.A O no hydrogen 3.458 N/A LYS 303.A NZ ARG 311.A O no hydrogen 2.827 N/A LYS 304.A N LEU 300.A O no hydrogen 2.893 N/A LYS 304.A NZ ASP 265.A OD1 no hydrogen 2.819 N/A ALA 305.A N LEU 301.A O no hydrogen 3.148 N/A ALA 305.A N ALA 302.A O no hydrogen 3.108 N/A ARG 306.A N ALA 302.A O no hydrogen 3.313 N/A GLY 307.A N LYS 304.A O no hydrogen 3.110 N/A LYS 308.A N LYS 303.A O no hydrogen 3.298 N/A ARG 311.A NE GLU 269.A OE1 no hydrogen 3.562 N/A LEU 312.A N GLU 269.A OE2 no hydrogen 3.267 N/A ARG 313.A N LEU 27.A O no hydrogen 3.299 N/A