Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jw8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE GLU 77.A OE2 no hydrogen 2.885 N/A ARG 3.A NH2 GLY 22.A O no hydrogen 2.891 N/A ARG 3.A NH2 GLU 77.A OE1 no hydrogen 2.866 N/A ARG 3.A NH2 GLU 77.A OE2 no hydrogen 3.484 N/A ARG 4.A NH1 SER 8.A O no hydrogen 2.912 N/A THR 5.A N ILE 9.A O no hydrogen 2.765 N/A THR 5.A OG1 GLN 7.A OE1 no hydrogen 3.390 N/A GLN 7.A N THR 5.A OG1 no hydrogen 3.184 N/A GLN 7.A NE2 GLY 74.A O no hydrogen 3.133 N/A SER 8.A N THR 5.A O no hydrogen 2.843 N/A ILE 9.A N THR 5.A OG1 no hydrogen 3.081 N/A TYR 11.A N ARG 3.A O no hydrogen 2.992 N/A TYR 11.A OH GLN 75.A O no hydrogen 2.616 N/A ASP 13.A N PRO 10.A O no hydrogen 3.037 N/A LEU 14.A N TYR 11.A O no hydrogen 3.003 N/A LEU 17.A N LEU 25.A O no hydrogen 2.969 N/A ASN 19.A N GLN 23.A O no hydrogen 2.861 N/A ASN 19.A ND2 GLN 23.A OE1 no hydrogen 3.131 N/A ASN 19.A ND2 ASP 91.A OD2 no hydrogen 2.914 N/A ASP 21.A N ASN 19.A OD1 no hydrogen 2.971 N/A GLY 22.A N ASN 19.A O no hydrogen 2.931 N/A GLN 23.A N ASN 19.A OD1 no hydrogen 2.960 N/A TYR 24.A N GLU 77.A OE1 no hydrogen 2.854 N/A LEU 25.A N LEU 17.A O no hydrogen 2.862 N/A PHE 26.A N SER 76.A OG no hydrogen 2.925 N/A CYS 27.A N PRO 15.A O no hydrogen 3.039 N/A CYS 27.A SG LEU 25.A O no hydrogen 3.713 N/A ARG 28.A N ALA 67.A O no hydrogen 2.912 N/A ARG 28.A NE SER 50.A OG no hydrogen 3.018 N/A TYR 29.A OH HIS 95.A NE2 no hydrogen 2.754 N/A TRP 30.A N VAL 65.A O no hydrogen 2.893 N/A TRP 30.A NE1 GLU 54.A OE1 no hydrogen 3.287 N/A LYS 31.A NZ TYR 102.A OH no hydrogen 3.001 N/A LYS 37.A N ASP 62.A O no hydrogen 2.791 N/A LYS 37.A NZ ASP 62.A OD2 no hydrogen 2.955 N/A LEU 39.A N PRO 106.A O no hydrogen 2.947 N/A ILE 40.A N LEU 64.A O no hydrogen 2.968 N/A PHE 41.A N PHE 108.A O no hydrogen 3.032 N/A VAL 42.A N PHE 66.A O no hydrogen 2.839 N/A SER 43.A N LEU 110.A O no hydrogen 2.798 N/A SER 43.A OG HIS 70.A NE2 no hydrogen 3.350 N/A SER 43.A OG GLY 114.A O no hydrogen 2.910 N/A HIS 44.A ND1 GLY 45.A O no hydrogen 2.708 N/A GLY 45.A N GLU 48.A OE2 no hydrogen 2.833 N/A GLY 47.A N HIS 73.A NE2 no hydrogen 2.953 N/A GLU 48.A N GLY 45.A O no hydrogen 3.336 N/A HIS 49.A NE2 ASP 186.A OD2 no hydrogen 2.671 N/A SER 50.A N ASP 69.A OD1 no hydrogen 2.823 N/A SER 50.A OG ASP 69.A OD1 no hydrogen 2.697 N/A GLY 51.A N HIS 49.A ND1 no hydrogen 3.076 N/A ARG 52.A N HIS 49.A O no hydrogen 3.424 N/A ARG 52.A NE GLU 48.A OE1 no hydrogen 3.101 N/A TYR 53.A N SER 50.A O no hydrogen 3.111 N/A TYR 53.A OH GLU 48.A OE2 no hydrogen 2.475 N/A GLU 54.A N GLY 51.A O no hydrogen 3.445 N/A ALA 57.A N TYR 53.A O no hydrogen 2.857 N/A ARG 58.A N GLU 54.A O no hydrogen 3.068 N/A LEU 61.A N LEU 59.A O no hydrogen 3.027 N/A LEU 63.A N LEU 59.A O no hydrogen 3.305 N/A LEU 64.A N ALA 38.A O no hydrogen 2.931 N/A VAL 65.A N TRP 30.A O no hydrogen 2.978 N/A PHE 66.A N ILE 40.A O no hydrogen 2.914 N/A ALA 67.A N ARG 28.A O no hydrogen 2.972 N/A HIS 68.A ND1 HIS 95.A ND1 no hydrogen 2.866 N/A ASP 69.A N PHE 26.A O no hydrogen 2.910 N/A HIS 70.A N HIS 44.A NE2 no hydrogen 2.904 N/A HIS 70.A NE2 HIS 44.A O no hydrogen 3.080 N/A GLY 72.A N GLU 77.A O no hydrogen 2.827 N/A HIS 73.A N HIS 70.A O no hydrogen 2.977 N/A HIS 73.A ND1 VAL 71.A O no hydrogen 2.949 N/A GLN 75.A N ASP 69.A OD2 no hydrogen 2.690 N/A SER 76.A N HIS 73.A O no hydrogen 2.987 N/A SER 76.A OG ASP 69.A O no hydrogen 2.672 N/A GLU 77.A N TYR 24.A O no hydrogen 2.983 N/A ARG 80.A NE GLY 78.A O no hydrogen 3.372 N/A ARG 80.A NH1 SER 76.A O no hydrogen 2.867 N/A ARG 80.A NH1 GLY 78.A O no hydrogen 2.705 N/A ARG 80.A NH2 GLY 74.A O no hydrogen 2.975 N/A PHE 85.A N GLN 201.A OE1 no hydrogen 2.951 N/A HIS 86.A N ASP 84.A OD2 no hydrogen 2.891 N/A HIS 86.A NE2 GLU 124.A OE1 no hydrogen 2.817 N/A VAL 87.A N ASP 84.A O no hydrogen 2.978 N/A PHE 88.A N PHE 85.A O no hydrogen 3.210 N/A ARG 90.A N HIS 86.A O no hydrogen 2.886 N/A ARG 90.A NE ASP 91.A OD1 no hydrogen 3.002 N/A ARG 90.A NH1 ASP 21.A OD1 no hydrogen 3.553 N/A ARG 90.A NH1 ASP 21.A OD2 no hydrogen 2.905 N/A ARG 90.A NH2 ASP 21.A OD2 no hydrogen 2.804 N/A ARG 90.A NH2 ASP 91.A OD1 no hydrogen 2.942 N/A ASP 91.A N VAL 87.A O no hydrogen 2.859 N/A VAL 92.A N PHE 88.A O no hydrogen 3.045 N/A LEU 93.A N VAL 89.A O no hydrogen 3.006 N/A GLN 94.A N ARG 90.A O no hydrogen 3.046 N/A GLN 94.A NE2 VAL 18.A O no hydrogen 2.932 N/A HIS 95.A N ASP 91.A O no hydrogen 3.228 N/A HIS 95.A ND1 HIS 68.A ND1 no hydrogen 2.866 N/A HIS 95.A NE2 TYR 29.A OH no hydrogen 2.754 N/A VAL 96.A N VAL 92.A O no hydrogen 2.869 N/A ASP 97.A N LEU 93.A O no hydrogen 2.798 N/A SER 98.A N GLN 94.A O no hydrogen 2.971 N/A SER 98.A OG GLN 94.A O no hydrogen 3.205 N/A LYS 100.A N ASP 97.A O no hydrogen 3.241 N/A ASP 101.A N SER 98.A O no hydrogen 3.380 N/A LEU 105.A N TYR 102.A O no hydrogen 3.380 N/A PHE 108.A N LEU 39.A O no hydrogen 2.799 N/A LEU 109.A N GLY 131.A O no hydrogen 2.982 N/A LEU 110.A N PHE 41.A O no hydrogen 2.886 N/A GLY 111.A N VAL 132.A O no hydrogen 2.949 N/A HIS 112.A N SER 43.A O no hydrogen 3.304 N/A HIS 112.A ND1 ILE 134.A O no hydrogen 2.931 N/A SER 113.A N ILE 134.A O no hydrogen 3.114 N/A SER 113.A OG HIS 257.A NE2 no hydrogen 2.615 N/A GLY 115.A N SER 113.A O no hydrogen 2.820 N/A ALA 116.A N SER 113.A O no hydrogen 3.301 N/A ALA 118.A N GLY 114.A O no hydrogen 3.036 N/A ILE 119.A N GLY 115.A O no hydrogen 3.026 N/A LEU 120.A N ALA 116.A O no hydrogen 3.035 N/A THR 121.A N ILE 117.A O no hydrogen 2.924 N/A THR 121.A OG1 ILE 117.A O no hydrogen 2.668 N/A ALA 122.A N ALA 118.A O no hydrogen 2.987 N/A ALA 123.A N ILE 119.A O no hydrogen 2.920 N/A GLU 124.A N LEU 120.A O no hydrogen 3.086 N/A ARG 125.A N ALA 122.A O no hydrogen 3.249 N/A ARG 125.A NH1 ASP 97.A OD1 no hydrogen 2.682 N/A ARG 125.A NH1 ASP 97.A OD2 no hydrogen 3.503 N/A ARG 125.A NH2 ASP 97.A OD2 no hydrogen 2.842 N/A HIS 128.A N ARG 125.A O no hydrogen 3.128 N/A ALA 130.A N VAL 107.A O no hydrogen 2.877 N/A LEU 133.A N LEU 221.A O no hydrogen 2.804 N/A ILE 134.A N GLY 111.A O no hydrogen 2.890 N/A SER 135.A N LEU 223.A O no hydrogen 2.817 N/A SER 135.A OG HIS 257.A O no hydrogen 2.706 N/A LEU 137.A N SER 113.A O no hydrogen 2.924 N/A ASN 141.A ND2 ARG 229.A O no hydrogen 2.849 N/A ASN 141.A ND2 LEU 230.A O no hydrogen 2.988 N/A GLU 143.A N ASN 141.A OD1 no hydrogen 3.044 N/A SER 144.A N ASN 141.A OD1 no hydrogen 3.214 N/A ALA 145.A N ASN 141.A O no hydrogen 2.979 N/A LYS 149.A N THR 146.A OG1 no hydrogen 3.320 N/A LYS 149.A NZ GLU 143.A O no hydrogen 3.003 N/A VAL 150.A N THR 146.A O no hydrogen 2.938 N/A LEU 151.A N THR 147.A O no hydrogen 3.129 N/A ALA 152.A N PHE 148.A O no hydrogen 2.910 N/A ALA 153.A N LYS 149.A O no hydrogen 2.861 N/A LYS 154.A N VAL 150.A O no hydrogen 3.055 N/A VAL 155.A N LEU 151.A O no hydrogen 2.875 N/A LEU 156.A N ALA 152.A O no hydrogen 2.800 N/A ASN 157.A N ALA 153.A O no hydrogen 2.831 N/A LEU 158.A N LYS 154.A O no hydrogen 3.305 N/A LEU 158.A N VAL 155.A O no hydrogen 3.078 N/A VAL 159.A N VAL 155.A O no hydrogen 3.379 N/A VAL 159.A N LEU 156.A O no hydrogen 3.205 N/A LEU 160.A N LEU 156.A O no hydrogen 2.699 N/A LEU 163.A N LEU 160.A O no hydrogen 3.061 N/A SER 164.A OG LEU 165.A O no hydrogen 3.268 N/A LEU 165.A N LEU 194.A O no hydrogen 2.646 N/A SER 170.A OG ASN 184.A OD1 no hydrogen 2.990 N/A SER 171.A N ASP 169.A OD1 no hydrogen 3.224 N/A SER 171.A OG ASP 169.A OD1 no hydrogen 2.674 N/A VAL 172.A N ASP 169.A O no hydrogen 3.106 N/A LEU 173.A N SER 170.A O no hydrogen 3.089 N/A SER 174.A OG LYS 261.A O no hydrogen 2.614 N/A ARG 175.A N GLU 262.A OE1 no hydrogen 2.978 N/A ARG 175.A NE GLU 262.A OE1 no hydrogen 3.199 N/A ARG 175.A NE GLU 262.A OE2 no hydrogen 3.083 N/A ARG 175.A NH2 GLU 262.A OE2 no hydrogen 2.890 N/A ASN 176.A N SER 174.A OG no hydrogen 2.988 N/A ASN 176.A ND2 GLU 262.A O no hydrogen 2.919 N/A GLU 179.A N ASN 176.A OD1 no hydrogen 3.308 N/A VAL 180.A N ASN 176.A O no hydrogen 3.111 N/A ASP 181.A N LYS 177.A O no hydrogen 2.993 N/A ILE 182.A N THR 178.A O no hydrogen 2.938 N/A TYR 183.A N GLU 179.A O no hydrogen 2.996 N/A ASN 184.A N VAL 180.A O no hydrogen 2.935 N/A SER 185.A N ILE 182.A O no hydrogen 3.122 N/A SER 185.A OG ASP 181.A O no hydrogen 2.925 N/A LEU 188.A N ASP 186.A OD1 no hydrogen 2.942 N/A ILE 189.A N ASP 186.A O no hydrogen 3.250 N/A CYS 190.A N GLY 47.A O no hydrogen 2.790 N/A ARG 191.A NH1 TYR 183.A O no hydrogen 2.803 N/A ARG 191.A NH1 ASP 186.A O no hydrogen 2.798 N/A LYS 195.A NZ ASN 162.A O no hydrogen 3.528 N/A VAL 196.A N LEU 163.A O no hydrogen 2.973 N/A CYS 197.A N PRO 161.A O no hydrogen 2.889 N/A CYS 197.A SG PRO 161.A O no hydrogen 3.426 N/A GLY 199.A N LYS 195.A O no hydrogen 2.989 N/A ILE 200.A N VAL 196.A O no hydrogen 3.057 N/A GLN 201.A N CYS 197.A O no hydrogen 3.169 N/A LEU 202.A N PHE 198.A O no hydrogen 2.922 N/A LEU 203.A N GLY 199.A O no hydrogen 3.048 N/A ASN 204.A N ILE 200.A O no hydrogen 2.874 N/A ASN 204.A ND2 GLN 201.A OE1 no hydrogen 2.912 N/A ALA 205.A N GLN 201.A O no hydrogen 2.924 N/A VAL 206.A N LEU 202.A O no hydrogen 3.086 N/A SER 207.A N LEU 203.A O no hydrogen 3.119 N/A ARG 208.A N ASN 204.A O no hydrogen 2.854 N/A ARG 208.A NH1 ASP 84.A OD2 no hydrogen 2.941 N/A ARG 208.A NH2 ASP 84.A OD1 no hydrogen 2.812 N/A VAL 209.A N ALA 205.A O no hydrogen 2.752 N/A GLU 210.A N VAL 206.A O no hydrogen 3.012 N/A ARG 211.A N SER 207.A O no hydrogen 3.270 N/A ARG 211.A NH2 SER 207.A OG no hydrogen 2.691 N/A ALA 212.A N ARG 208.A O no hydrogen 2.991 N/A LEU 213.A N VAL 209.A O no hydrogen 2.944 N/A LYS 215.A N ALA 212.A O no hydrogen 3.053 N/A LYS 215.A NZ ARG 211.A O no hydrogen 3.474 N/A LEU 216.A N LEU 213.A O no hydrogen 2.869 N/A PHE 220.A N ASP 246.A O no hydrogen 2.815 N/A LEU 222.A N THR 248.A O no hydrogen 2.772 N/A LEU 223.A N LEU 133.A O no hydrogen 2.943 N/A GLN 224.A N LYS 250.A O no hydrogen 2.972 N/A GLN 224.A NE2 GLY 225.A O no hydrogen 3.058 N/A GLN 224.A NE2 ASP 228.A OD2 no hydrogen 3.357 N/A GLN 224.A NE2 CYS 231.A O no hydrogen 2.967 N/A SER 226.A N TYR 252.A O no hydrogen 2.973 N/A ALA 227.A N ALA 255.A O no hydrogen 2.986 N/A LEU 230.A N ASP 228.A OD1 no hydrogen 2.872 N/A CYS 231.A N ASP 228.A OD1 no hydrogen 2.811 N/A CYS 231.A SG SER 135.A O no hydrogen 3.841 N/A LYS 234.A N ASP 232.A OD2 no hydrogen 2.963 N/A GLY 235.A N ASP 232.A O no hydrogen 2.990 N/A ALA 236.A N SER 233.A O no hydrogen 2.937 N/A TYR 237.A N SER 233.A O no hydrogen 3.374 N/A LEU 238.A N LYS 234.A O no hydrogen 2.984 N/A LEU 239.A N GLY 235.A O no hydrogen 2.900 N/A LEU 241.A N LEU 238.A O no hydrogen 2.911 N/A ALA 242.A N LEU 239.A O no hydrogen 3.084 N/A LYS 243.A N LEU 216.A O no hydrogen 2.869 N/A LYS 243.A NZ LEU 241.A O no hydrogen 3.024 N/A SER 244.A OG LEU 216.A O no hydrogen 3.567 N/A SER 244.A OG VAL 218.A O no hydrogen 2.625 N/A LYS 247.A NZ ALA 242.A O no hydrogen 2.724 N/A THR 248.A N PHE 220.A O no hydrogen 3.112 N/A LYS 250.A N LEU 222.A O no hydrogen 2.891 N/A LYS 250.A NZ SER 269.A OG no hydrogen 3.368 N/A TYR 252.A N GLN 224.A O no hydrogen 2.825 N/A TYR 252.A OH SER 269.A OG no hydrogen 2.878 N/A GLY 254.A N SER 226.A OG no hydrogen 2.662 N/A ALA 255.A N TYR 252.A O no hydrogen 3.141 N/A TYR 256.A N GLU 262.A OE1 no hydrogen 2.988 N/A HIS 257.A ND1 ASP 228.A OD2 no hydrogen 2.767 N/A HIS 257.A NE2 SER 113.A OG no hydrogen 2.615 N/A VAL 258.A N LEU 173.A O no hydrogen 2.909 N/A LEU 259.A N HIS 257.A O no hydrogen 3.057 N/A LYS 261.A N VAL 258.A O no hydrogen 2.891 N/A LYS 261.A NZ ARG 52.A O no hydrogen 2.918 N/A GLU 262.A N THR 267.A OG1 no hydrogen 2.840 N/A LEU 263.A N GLU 262.A OE2 no hydrogen 2.909 N/A VAL 266.A N LEU 263.A O no hydrogen 2.921 N/A THR 267.A N LEU 263.A O no hydrogen 2.962 N/A THR 267.A OG1 LEU 259.A O no hydrogen 3.355 N/A THR 267.A OG1 GLU 262.A O no hydrogen 3.198 N/A ASN 268.A N PRO 264.A O no hydrogen 2.917 N/A SER 269.A OG TYR 252.A OH no hydrogen 2.878 N/A VAL 270.A N VAL 266.A O no hydrogen 2.850 N/A PHE 271.A N THR 267.A O no hydrogen 2.995 N/A HIS 272.A N ASN 268.A O no hydrogen 3.129 N/A GLU 273.A N SER 269.A O no hydrogen 2.773 N/A ILE 274.A N VAL 270.A O no hydrogen 2.989 N/A ASN 275.A N PHE 271.A O no hydrogen 2.915 N/A VAL 277.A N ILE 274.A O no hydrogen 2.954 N/A SER 278.A N ASN 275.A O no hydrogen 2.900 N/A SER 278.A OG ASN 275.A O no hydrogen 3.259 N/A ARG 280.A N VAL 277.A O no hydrogen 3.060 N/A ARG 280.A NE ASP 246.A OD2 no hydrogen 2.786 N/A ARG 280.A NH1 TRP 276.A O no hydrogen 3.012 N/A ARG 280.A NH2 ASP 246.A OD1 no hydrogen 2.925 N/A ARG 280.A NH2 ASP 246.A OD2 no hydrogen 3.269 N/A THR 281.A N SER 278.A O no hydrogen 3.346 N/A THR 281.A OG1 VAL 277.A O no hydrogen 2.742 N/A THR 281.A OG1 SER 278.A O no hydrogen 3.358 N/A