Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wur_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N ASN 48.A OD1 no hydrogen 3.040 N/A VAL 4.A N VAL 16.A O no hydrogen 3.159 N/A LEU 5.A N HIS 50.A O no hydrogen 2.540 N/A VAL 6.A N ARG 14.A O no hydrogen 2.768 N/A THR 7.A N LEU 52.A O no hydrogen 3.143 N/A THR 7.A OG1 ASN 12.A O no hydrogen 2.353 N/A ASP 9.A N THR 7.A OG1 no hydrogen 3.194 N/A GLY 10.A N THR 7.A OG1 no hydrogen 3.104 N/A VAL 11.A N ASP 9.A OD1 no hydrogen 2.811 N/A ASN 12.A N ASP 9.A OD1 no hydrogen 2.741 N/A ARG 14.A N VAL 6.A O no hydrogen 2.816 N/A ARG 14.A NE GLU 62.A OE1 no hydrogen 2.845 N/A ARG 14.A NH1 GLU 62.A OE1 no hydrogen 3.438 N/A ARG 14.A NH1 GLU 62.A OE2 no hydrogen 2.931 N/A VAL 16.A N VAL 4.A O no hydrogen 2.987 N/A LEU 18.A N ILE 2.A O no hydrogen 3.159 N/A ASN 19.A N GLN 27.A OE1 no hydrogen 2.998 N/A LYS 21.A N ASN 19.A OD1 no hydrogen 2.992 N/A TYR 24.A N THR 41.A O no hydrogen 2.774 N/A ARG 25.A N SER 39.A O no hydrogen 2.619 N/A ARG 25.A NE ASP 40.A OD1 no hydrogen 2.839 N/A ARG 25.A NH1 ASP 40.A OD1 no hydrogen 3.383 N/A ARG 25.A NH1 ASP 40.A OD2 no hydrogen 2.930 N/A SER 26.A N THR 23.A OG1 no hydrogen 3.359 N/A GLN 27.A N THR 23.A O no hydrogen 3.233 N/A GLN 27.A NE2 ASN 19.A O no hydrogen 2.692 N/A GLN 27.A NE2 ASN 22.A O no hydrogen 3.343 N/A LEU 28.A N TYR 24.A O no hydrogen 2.742 N/A GLY 29.A N TYR 24.A O no hydrogen 3.212 N/A CYS 30.A N ASP 56.A OD1 no hydrogen 2.879 N/A CYS 30.A SG SER 39.A OG no hydrogen 3.685 N/A CYS 30.A SG HIS 79.A ND1 no hydrogen 3.435 N/A VAL 31.A N SER 39.A OG no hydrogen 3.007 N/A PHE 32.A N TYR 53.A O no hydrogen 2.673 N/A PHE 33.A N ALA 36.A O no hydrogen 2.739 N/A ALA 36.A N PHE 33.A O no hydrogen 3.207 N/A ILE 38.A N VAL 31.A O no hydrogen 3.069 N/A SER 39.A N ASP 37.A OD1 no hydrogen 3.076 N/A SER 39.A OG VAL 31.A O no hydrogen 3.561 N/A SER 39.A OG ASP 37.A OD1 no hydrogen 2.482 N/A THR 41.A N ILE 38.A O no hydrogen 2.932 N/A THR 41.A OG1 ILE 38.A O no hydrogen 2.829 N/A ASP 44.A N GLN 47.A OE1 no hydrogen 2.866 N/A GLN 47.A N ASP 44.A O no hydrogen 2.981 N/A ASN 48.A N GLU 45.A O no hydrogen 3.037 N/A GLY 49.A N GLU 3.A O no hydrogen 2.290 N/A HIS 50.A N GLN 47.A O no hydrogen 3.408 N/A LEU 52.A N LEU 5.A O no hydrogen 2.392 N/A TYR 53.A N PHE 32.A O no hydrogen 2.986 N/A LEU 54.A N THR 7.A O no hydrogen 3.490 N/A ALA 55.A N CYS 30.A O no hydrogen 2.778 N/A ASN 57.A ND2 LEU 28.A O no hydrogen 3.193 N/A THR 59.A N GLU 62.A OE2 no hydrogen 2.975 N/A THR 59.A OG1 GLU 62.A OE2 no hydrogen 3.099 N/A THR 63.A N THR 59.A O no hydrogen 3.114 N/A THR 63.A OG1 THR 59.A O no hydrogen 2.668 N/A LYS 64.A N ALA 60.A O no hydrogen 3.291 N/A ALA 65.A N ASP 61.A O no hydrogen 3.098 N/A LEU 66.A N GLU 62.A O no hydrogen 2.785 N/A LYS 67.A N THR 63.A O no hydrogen 2.976 N/A GLU 68.A N LYS 64.A O no hydrogen 3.148 N/A LEU 69.A N ALA 65.A O no hydrogen 2.828 N/A TYR 70.A N LEU 66.A O no hydrogen 2.754 N/A GLY 71.A N LYS 67.A O no hydrogen 2.601 N/A THR 76.A N ASP 74.A OD2 no hydrogen 2.918 N/A THR 76.A OG1 ASP 74.A OD2 no hydrogen 2.727 N/A PHE 77.A N ASP 74.A O no hydrogen 2.949 N/A ARG 80.A N THR 76.A O no hydrogen 2.994 N/A ARG 80.A NE THR 76.A OG1 no hydrogen 2.648 N/A ARG 80.A NH1 ALA 152.A O no hydrogen 2.851 N/A ARG 80.A NH2 ASP 74.A OD1 no hydrogen 2.477 N/A PHE 81.A N PHE 77.A O no hydrogen 2.722 N/A TYR 82.A N LEU 78.A O no hydrogen 2.936 N/A SER 83.A N HIS 79.A O no hydrogen 2.929 N/A SER 83.A OG HIS 79.A O no hydrogen 3.052 N/A SER 83.A OG ARG 80.A O no hydrogen 3.298 N/A LEU 84.A N ARG 80.A O no hydrogen 2.865 N/A LYS 85.A N PHE 81.A O no hydrogen 2.902 N/A LYS 85.A NZ ASP 145.A OD1 no hydrogen 2.619 N/A ALA 86.A N TYR 82.A O no hydrogen 3.247 N/A ALA 87.A N SER 83.A O no hydrogen 2.896 N/A VAL 88.A N LEU 84.A O no hydrogen 2.923 N/A HIS 89.A N ALA 86.A O no hydrogen 3.251 N/A TRP 91.A N VAL 88.A O no hydrogen 3.165 N/A TRP 91.A NE1 ASP 106.A OD2 no hydrogen 3.074 N/A VAL 94.A N SER 101.A O no hydrogen 2.939 N/A CYS 96.A N VAL 99.A O no hydrogen 3.013 N/A VAL 99.A N CYS 96.A O no hydrogen 2.646 N/A ARG 100.A NH2 SER 143.A OG no hydrogen 3.111 N/A SER 101.A N VAL 94.A O no hydrogen 2.998 N/A SER 101.A OG ASN 112.A OD1 no hydrogen 2.375 N/A LYS 103.A N LYS 92.A O no hydrogen 2.879 N/A LEU 104.A N SER 292.A O no hydrogen 2.994 N/A SER 105.A N ASN 108.A OD1 no hydrogen 3.153 N/A SER 105.A OG ASP 106.A OD2 no hydrogen 2.723 N/A ASN 107.A ND2 GLY 159.A O no hydrogen 2.672 N/A ASN 108.A N SER 105.A O no hydrogen 3.133 N/A ASN 108.A ND2 LYS 103.A O no hydrogen 3.358 N/A SER 109.A OG HIS 276.A ND1 no hydrogen 3.399 N/A LEU 111.A N ASN 108.A O no hydrogen 2.886 N/A ASN 112.A N ASN 108.A O no hydrogen 3.289 N/A ASN 112.A ND2 PHE 290.A O no hydrogen 3.006 N/A ALA 113.A N SER 109.A O no hydrogen 3.033 N/A VAL 114.A N TYR 110.A O no hydrogen 3.009 N/A ILE 115.A N LEU 111.A O no hydrogen 2.827 N/A MET 116.A N ASN 112.A O no hydrogen 3.116 N/A THR 117.A N ALA 113.A O no hydrogen 3.064 N/A THR 117.A OG1 ALA 113.A O no hydrogen 2.740 N/A LEU 118.A N VAL 114.A O no hydrogen 2.897 N/A ASP 119.A N ILE 115.A O no hydrogen 2.925 N/A LEU 120.A N THR 117.A O no hydrogen 2.968 N/A LEU 121.A N LEU 118.A O no hydrogen 3.151 N/A LYS 125.A N GLU 176.A O no hydrogen 2.996 N/A PHE 126.A N GLN 132.A OE1 no hydrogen 2.521 N/A VAL 127.A N LYS 174.A O no hydrogen 2.912 N/A ALA 130.A N LEU 69.A O no hydrogen 2.882 N/A GLN 132.A N ILE 128.A O no hydrogen 2.788 N/A HIS 133.A N PRO 129.A O no hydrogen 2.856 N/A ALA 134.A N ALA 130.A O no hydrogen 2.987 N/A PHE 135.A N LEU 131.A O no hydrogen 3.096 N/A MET 136.A N GLN 132.A O no hydrogen 2.981 N/A LYS 137.A N HIS 133.A O no hydrogen 2.959 N/A LYS 137.A NZ ASP 142.A OD2 no hydrogen 3.345 N/A LYS 137.A NZ ASP 145.A OD2 no hydrogen 2.987 N/A HIS 138.A N ALA 134.A O no hydrogen 2.888 N/A HIS 138.A ND1 SER 143.A OG no hydrogen 2.601 N/A HIS 138.A NE2 ASP 119.A OD1 no hydrogen 2.874 N/A LYS 139.A N PHE 135.A O no hydrogen 2.945 N/A GLY 140.A N LYS 137.A O no hydrogen 2.754 N/A GLY 141.A N HIS 138.A O no hydrogen 3.308 N/A ASP 142.A N LYS 137.A O no hydrogen 3.009 N/A SER 143.A OG HIS 138.A ND1 no hydrogen 2.601 N/A SER 143.A OG HIS 138.A O no hydrogen 3.518 N/A ILE 147.A N SER 143.A O no hydrogen 2.818 N/A ALA 148.A N THR 144.A O no hydrogen 2.897 N/A LEU 149.A N ASP 145.A O no hydrogen 2.830 N/A ILE 150.A N PHE 146.A O no hydrogen 2.879 N/A MET 151.A N ILE 147.A O no hydrogen 3.103 N/A ALA 152.A N ALA 148.A O no hydrogen 2.949 N/A TYR 153.A N LEU 149.A O no hydrogen 2.867 N/A TYR 153.A OH TYR 70.A O no hydrogen 2.598 N/A GLY 154.A N ILE 150.A O no hydrogen 2.792 N/A ASN 155.A N ALA 152.A O no hydrogen 3.117 N/A CYS 156.A N MET 151.A O no hydrogen 2.810 N/A CYS 156.A SG GLY 154.A O no hydrogen 3.666 N/A CYS 156.A SG ASP 162.A OD2 no hydrogen 3.689 N/A ALA 160.A N THR 157.A O no hydrogen 3.128 N/A ASP 163.A N ASP 162.A OD1 no hydrogen 2.787 N/A ALA 164.A N TYR 277.A OH no hydrogen 3.325 N/A SER 165.A OG ASP 307.A OD1 no hydrogen 2.814 N/A SER 165.A OG ASP 307.A OD2 no hydrogen 2.512 N/A ARG 166.A N ASP 163.A OD1 no hydrogen 3.496 N/A ARG 166.A NH1 GLY 154.A O no hydrogen 3.543 N/A ARG 166.A NH2 GLY 154.A O no hydrogen 2.929 N/A LEU 167.A N ASP 163.A O no hydrogen 3.359 N/A LEU 168.A N ALA 164.A O no hydrogen 2.962 N/A HIS 169.A N SER 165.A O no hydrogen 3.418 N/A HIS 169.A NE2 SER 245.A OG no hydrogen 3.129 N/A THR 170.A N ARG 166.A O no hydrogen 3.249 N/A THR 170.A OG1 LEU 167.A O no hydrogen 3.032 N/A VAL 171.A N LEU 167.A O no hydrogen 2.986 N/A LEU 172.A N LEU 168.A O no hydrogen 3.075 N/A ALA 173.A N HIS 169.A O no hydrogen 3.155 N/A ALA 173.A N THR 170.A O no hydrogen 3.030 N/A LYS 174.A N VAL 171.A O no hydrogen 2.980 N/A ALA 175.A N LEU 172.A O no hydrogen 2.797 N/A GLU 176.A N LYS 125.A O no hydrogen 2.674 N/A CYS 178.A N ASP 123.A O no hydrogen 2.626 N/A ARG 182.A N THR 238.A O no hydrogen 2.947 N/A MET 183.A N LEU 199.A O no hydrogen 3.031 N/A VAL 184.A N GLU 236.A O no hydrogen 3.042 N/A TRP 185.A N VAL 197.A O no hydrogen 2.932 N/A ARG 186.A N GLN 233.A O no hydrogen 3.013 N/A ARG 186.A NE ASP 196.A OD1 no hydrogen 2.740 N/A ARG 186.A NH2 ASP 196.A OD1 no hydrogen 3.221 N/A ARG 186.A NH2 ASP 196.A OD2 no hydrogen 3.193 N/A GLU 187.A N LYS 195.A O no hydrogen 2.857 N/A TRP 188.A N HIS 231.A O no hydrogen 3.213 N/A CYS 189.A N GLY 193.A O no hydrogen 3.031 N/A GLY 193.A N CYS 189.A O no hydrogen 2.767 N/A LYS 195.A N GLU 187.A O no hydrogen 2.605 N/A VAL 197.A N TRP 185.A O no hydrogen 2.657 N/A LEU 199.A N MET 183.A O no hydrogen 3.023 N/A GLY 201.A N ALA 181.A O no hydrogen 3.007 N/A ALA 204.A N GLY 201.A O no hydrogen 2.986 N/A CYS 205.A N LEU 202.A O no hydrogen 2.771 N/A CYS 205.A SG GLY 201.A O no hydrogen 3.618 N/A CYS 206.A SG LEU 202.A O no hydrogen 3.883 N/A TYR 207.A N LEU 243.A O no hydrogen 2.953 N/A GLY 209.A N SER 245.A O no hydrogen 2.610 N/A GLN 211.A NE2 THR 247.A O no hydrogen 2.814 N/A GLN 211.A NE2 THR 306.A O no hydrogen 3.178 N/A THR 212.A OG1 ASP 215.A OD2 no hydrogen 2.469 N/A ASP 215.A N THR 212.A OG1 no hydrogen 3.286 N/A LEU 216.A N VAL 213.A O no hydrogen 3.242 N/A ARG 217.A N GLU 214.A O no hydrogen 3.261 N/A ALA 218.A N GLU 214.A O no hydrogen 2.936 N/A MET 220.A N ARG 232.A O no hydrogen 2.750 N/A THR 221.A OG1 HIS 231.A ND1 no hydrogen 3.043 N/A TYR 222.A N ARG 230.A O no hydrogen 2.941 N/A CYS 224.A N GLY 228.A O no hydrogen 2.335 N/A GLY 227.A N CYS 224.A O no hydrogen 3.114 N/A ARG 230.A N TYR 222.A O no hydrogen 2.760 N/A HIS 231.A N TRP 188.A O no hydrogen 3.031 N/A ARG 232.A N MET 220.A O no hydrogen 2.977 N/A GLN 233.A N ARG 186.A O no hydrogen 3.072 N/A VAL 235.A N VAL 184.A O no hydrogen 2.907 N/A HIS 237.A N TYR 315.A O no hydrogen 3.016 N/A HIS 237.A NE2 ALA 204.A O no hydrogen 3.043 N/A THR 238.A N ARG 182.A O no hydrogen 2.731 N/A THR 239.A N GLN 313.A O no hydrogen 2.824 N/A THR 239.A OG1 TRP 241.A O no hydrogen 2.991 N/A TRP 241.A NE1 LYS 122.A O no hydrogen 2.907 N/A LEU 242.A N PHE 310.A O no hydrogen 2.624 N/A LEU 243.A N CYS 205.A O no hydrogen 2.466 N/A LEU 244.A N VAL 308.A O no hydrogen 2.846 N/A SER 245.A N TYR 207.A O no hydrogen 2.824 N/A SER 245.A OG HIS 169.A NE2 no hydrogen 3.129 N/A SER 245.A OG ASP 307.A OD1 no hydrogen 2.738 N/A GLY 246.A N THR 306.A O no hydrogen 3.054 N/A ASN 249.A N VAL 305.A O no hydrogen 3.180 N/A LYS 251.A N CYS 303.A O no hydrogen 2.978 N/A VAL 253.A N TRP 301.A O no hydrogen 3.126 N/A THR 254.A OG1 ASP 300.A OD2 no hydrogen 3.133 N/A THR 255.A OG1 GLY 285.A O no hydrogen 2.884 N/A THR 255.A OG1 SER 299.A O no hydrogen 3.527 N/A SER 256.A N THR 254.A OG1 no hydrogen 3.067 N/A ALA 258.A N THR 255.A O no hydrogen 3.325 N/A VAL 262.A N LEU 309.A O no hydrogen 3.050 N/A PHE 264.A N ALA 280.A O no hydrogen 2.878 N/A ASN 265.A N ASP 307.A O no hydrogen 2.764 N/A ASN 265.A ND2 THR 117.A OG1 no hydrogen 3.159 N/A ASN 265.A ND2 ASP 307.A OD2 no hydrogen 3.314 N/A VAL 266.A N VAL 278.A O no hydrogen 3.014 N/A PHE 267.A N LYS 304.A O no hydrogen 2.823 N/A GLN 268.A N HIS 276.A O no hydrogen 2.972 N/A TYR 277.A N SER 109.A OG no hydrogen 3.055 N/A VAL 278.A N VAL 266.A O no hydrogen 3.213 N/A HIS 279.A N PHE 290.A O no hydrogen 3.401 N/A HIS 279.A ND1 ASN 265.A OD1 no hydrogen 2.929 N/A ALA 280.A N PHE 264.A O no hydrogen 2.937 N/A ARG 281.A N LEU 288.A O no hydrogen 2.983 N/A ARG 281.A NE HIS 279.A NE2 no hydrogen 2.832 N/A ARG 281.A NH2 MET 116.A O no hydrogen 2.827 N/A LEU 282.A N VAL 262.A O no hydrogen 2.809 N/A ILE 287.A N THR 298.A O no hydrogen 2.942 N/A LEU 288.A N ARG 281.A O no hydrogen 2.858 N/A LYS 289.A N SER 296.A O no hydrogen 2.644 N/A PHE 290.A N HIS 279.A O no hydrogen 2.618 N/A ASP 291.A N THR 294.A O no hydrogen 2.657 N/A THR 294.A N ASP 291.A O no hydrogen 3.355 N/A SER 296.A N LYS 289.A O no hydrogen 3.019 N/A THR 298.A N ILE 287.A O no hydrogen 3.027 N/A CYS 303.A N LYS 251.A O no hydrogen 3.170 N/A CYS 303.A SG TRP 301.A O no hydrogen 3.703 N/A THR 306.A N ASN 265.A O no hydrogen 2.971 N/A THR 306.A OG1 ASN 265.A O no hydrogen 3.198 N/A THR 306.A OG1 ASP 307.A OD2 no hydrogen 3.146 N/A ASP 307.A N THR 306.A OG1 no hydrogen 2.674 N/A VAL 308.A N LEU 244.A O no hydrogen 2.774 N/A LEU 309.A N ALA 263.A O no hydrogen 2.767 N/A PHE 310.A N LEU 242.A O no hydrogen 2.608 N/A GLN 313.A N THR 239.A O no hydrogen 2.757 N/A GLN 313.A N THR 239.A OG1 no hydrogen 3.098 N/A GLN 313.A NE2 PRO 311.A O no hydrogen 2.317 N/A TYR 315.A N HIS 237.A O no hydrogen 2.918 N/A SER 317.A N VAL 235.A O no hydrogen 3.200 N/A