Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jy1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N GLU 68.A OE1 no hydrogen 3.255 N/A LYS 7.A N HIS 3.A O no hydrogen 3.068 N/A ALA 8.A N PRO 4.A O no hydrogen 2.974 N/A LEU 9.A N PHE 5.A O no hydrogen 3.058 N/A GLN 10.A N VAL 6.A O no hydrogen 2.957 N/A GLU 11.A N LYS 7.A O no hydrogen 2.975 N/A HIS 12.A N ALA 8.A O no hydrogen 2.890 N/A HIS 12.A NE2 ASP 49.A OD1 no hydrogen 3.051 N/A PHE 13.A N LEU 9.A O no hydrogen 2.816 N/A THR 14.A N GLN 10.A O no hydrogen 2.940 N/A THR 14.A OG1 GLN 10.A O no hydrogen 2.728 N/A ALA 15.A N GLU 11.A O no hydrogen 2.969 N/A HIS 16.A N PHE 13.A O no hydrogen 2.957 N/A GLN 17.A N THR 14.A O no hydrogen 3.312 N/A ASN 18.A N LEU 36.A O no hydrogen 2.779 N/A GLU 20.A N ASN 18.A OD1 no hydrogen 3.096 N/A LYS 21.A N ASN 18.A O no hydrogen 2.995 N/A ALA 22.A N ASN 18.A O no hydrogen 3.090 N/A ALA 22.A N PRO 19.A O no hydrogen 3.259 N/A MET 25.A N LYS 21.A O no hydrogen 3.229 N/A ALA 26.A N ALA 22.A O no hydrogen 2.892 N/A ARG 27.A N GLU 23.A O no hydrogen 2.937 N/A TYR 28.A N PRO 24.A O no hydrogen 3.081 N/A MET 29.A N ALA 26.A O no hydrogen 3.132 N/A LYS 30.A N ARG 27.A O no hydrogen 2.913 N/A ASN 31.A N ALA 26.A O no hydrogen 2.934 N/A HIS 32.A N MET 29.A O no hydrogen 3.217 N/A LEU 36.A N GLU 76.A OE1 no hydrogen 2.771 N/A LEU 36.A N GLU 76.A OE2 no hydrogen 3.123 N/A GLY 37.A N GLU 76.A OE2 no hydrogen 2.826 N/A ILE 38.A N GLU 76.A OE2 no hydrogen 2.952 N/A GLN 39.A N GLU 42.A OE1 no hydrogen 3.119 N/A ARG 43.A N GLN 39.A O no hydrogen 2.850 N/A ARG 43.A NE ASP 83.A OD2 no hydrogen 3.044 N/A ARG 43.A NH2 ASP 83.A OD1 no hydrogen 3.246 N/A ARG 43.A NH2 ASP 83.A OD2 no hydrogen 2.859 N/A ARG 44.A N THR 40.A O no hydrogen 2.895 N/A ARG 44.A NE ASP 83.A OD1 no hydrogen 3.434 N/A GLN 45.A N PRO 41.A O no hydrogen 3.055 N/A GLN 45.A NE2 ASP 49.A OD2 no hydrogen 2.851 N/A LEU 46.A N GLU 42.A O no hydrogen 2.785 N/A LEU 47.A N ARG 43.A O no hydrogen 3.098 N/A LYS 48.A N ARG 44.A O no hydrogen 2.826 N/A ASP 49.A N GLN 45.A O no hydrogen 2.817 N/A ILE 50.A N LEU 46.A O no hydrogen 3.372 N/A ILE 51.A N LEU 47.A O no hydrogen 2.950 N/A GLN 52.A N LYS 48.A O no hydrogen 2.765 N/A ILE 53.A N ASP 49.A O no hydrogen 3.110 N/A HIS 54.A N ILE 50.A O no hydrogen 2.799 N/A THR 55.A N ILE 51.A O no hydrogen 2.666 N/A THR 55.A OG1 HIS 54.A O no hydrogen 2.463 N/A ASP 61.A N ASP 58.A O no hydrogen 2.893 N/A PHE 62.A N GLN 59.A O no hydrogen 3.194 N/A ILE 65.A N ASP 61.A O no hydrogen 3.087 N/A ILE 66.A N PHE 62.A O no hydrogen 3.143 N/A ARG 67.A N GLN 63.A O no hydrogen 2.987 N/A ARG 67.A NH1 GLU 102.A OE1 no hydrogen 2.774 N/A ARG 67.A NH2 GLU 102.A OE1 no hydrogen 3.407 N/A ARG 67.A NH2 GLU 102.A OE2 no hydrogen 3.419 N/A GLU 68.A N ILE 64.A O no hydrogen 3.005 N/A LEU 69.A N ILE 65.A O no hydrogen 2.998 N/A TRP 70.A N ILE 66.A O no hydrogen 2.917 N/A TRP 70.A NE1 THR 106.A O no hydrogen 2.915 N/A ASP 71.A N ARG 67.A O no hydrogen 3.005 N/A LEU 72.A N LEU 69.A O no hydrogen 3.227 N/A GLU 74.A N GLU 74.A OE1 no hydrogen 2.777 N/A ARG 75.A N LEU 34.A O no hydrogen 2.947 N/A ARG 75.A NE ASP 111.A OD2 no hydrogen 2.914 N/A ARG 75.A NH1 GLN 78.A OE1 no hydrogen 3.101 N/A ARG 75.A NH1 LYS 107.A O no hydrogen 2.944 N/A ARG 75.A NH2 LYS 107.A O no hydrogen 3.178 N/A ARG 75.A NH2 ASP 111.A OD1 no hydrogen 2.766 N/A ARG 75.A NH2 ASP 111.A OD2 no hydrogen 3.507 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 2.916 N/A PHE 77.A N GLU 74.A O no hydrogen 3.169 N/A GLN 78.A NE2 LEU 69.A O no hydrogen 3.148 N/A GLN 78.A NE2 LEU 72.A O no hydrogen 2.921 N/A GLN 78.A NE2 GLU 74.A O no hydrogen 3.607 N/A ALA 79.A N ARG 75.A O no hydrogen 3.051 N/A ALA 80.A N GLU 76.A O no hydrogen 2.751 N/A ALA 81.A N PHE 77.A O no hydrogen 2.896 N/A LEU 82.A N GLN 78.A O no hydrogen 3.094 N/A ASP 83.A N ALA 79.A O no hydrogen 3.069 N/A ILE 84.A N ALA 80.A O no hydrogen 2.913 N/A MET 85.A N ALA 81.A O no hydrogen 2.884 N/A GLN 86.A N LEU 82.A O no hydrogen 3.070 N/A LYS 87.A N ASP 83.A O no hydrogen 3.354 N/A TYR 88.A N ILE 84.A O no hydrogen 3.279 N/A TYR 88.A N MET 85.A O no hydrogen 3.030 N/A TYR 88.A OH PRO 57.A O no hydrogen 2.608 N/A LYS 89.A N GLN 86.A O no hydrogen 3.162 N/A LYS 89.A NZ ASP 123.A OD1 no hydrogen 2.853 N/A HIS 91.A N TYR 88.A O no hydrogen 2.848 N/A ILE 92.A N LYS 89.A O no hydrogen 3.309 N/A GLU 94.A N GLU 94.A OE1 no hydrogen 2.849 N/A THR 95.A N ASN 93.A OD1 no hydrogen 2.884 N/A THR 95.A OG1 ASN 93.A OD1 no hydrogen 2.723 N/A HIS 96.A N ASN 93.A O no hydrogen 2.928 N/A ILE 97.A N GLU 94.A O no hydrogen 3.259 N/A LEU 100.A N HIS 96.A O no hydrogen 2.932 N/A GLU 101.A N ILE 97.A O no hydrogen 2.820 N/A GLU 102.A N PRO 98.A O no hydrogen 3.086 N/A LEU 103.A N PHE 99.A O no hydrogen 3.120 N/A ILE 104.A N LEU 100.A O no hydrogen 2.995 N/A VAL 105.A N GLU 101.A O no hydrogen 3.093 N/A VAL 105.A N GLU 102.A O no hydrogen 3.262 N/A THR 106.A N LEU 103.A O no hydrogen 3.430 N/A THR 106.A OG1 GLU 102.A O no hydrogen 2.671 N/A LYS 107.A NZ TRP 70.A O no hydrogen 2.816 N/A SER 108.A OG ILE 104.A O no hydrogen 2.709 N/A SER 112.A OG TRP 109.A O no hydrogen 3.331 N/A VAL 113.A N TRP 109.A O no hydrogen 3.156 N/A ASP 114.A N TRP 110.A O no hydrogen 2.938 N/A SER 115.A N SER 112.A O no hydrogen 3.171 N/A SER 115.A OG ASP 111.A O no hydrogen 3.088 N/A ILE 116.A N VAL 113.A O no hydrogen 3.128 N/A VAL 117.A N VAL 113.A O no hydrogen 3.055 N/A LEU 121.A N ILE 116.A O no hydrogen 3.461 N/A GLY 122.A N VAL 117.A O no hydrogen 2.949 N/A ASP 123.A N THR 119.A O no hydrogen 2.941 N/A ILE 124.A N PHE 120.A O no hydrogen 3.065 N/A PHE 125.A N LEU 121.A O no hydrogen 2.971 N/A LEU 126.A N GLY 122.A O no hydrogen 3.303 N/A LYS 127.A N ASP 123.A O no hydrogen 3.122 N/A HIS 128.A N ILE 124.A O no hydrogen 2.899 N/A GLU 130.A N GLU 130.A OE1 no hydrogen 2.743 N/A LEU 131.A N HIS 128.A O no hydrogen 3.019 N/A ILE 132.A N PRO 129.A O no hydrogen 3.192 N/A SER 133.A OG GLU 130.A O no hydrogen 3.451 N/A ALA 134.A N LEU 131.A O no hydrogen 2.961 N/A TYR 135.A N ILE 132.A O no hydrogen 3.173 N/A ILE 136.A N ILE 132.A O no hydrogen 2.864 N/A LYS 138.A NZ GLU 101.A OE2 no hydrogen 2.841 N/A TRP 139.A N TYR 135.A O no hydrogen 2.870 N/A TRP 139.A NE1 GLU 101.A OE2 no hydrogen 2.629 N/A ILE 140.A N ILE 136.A O no hydrogen 2.998 N/A ALA 141.A N PRO 137.A O no hydrogen 3.056 N/A SER 142.A N TRP 139.A O no hydrogen 3.211 N/A SER 142.A OG TRP 139.A O no hydrogen 2.785 N/A ASN 144.A N SER 142.A OG no hydrogen 3.004 N/A TRP 146.A N ASN 144.A OD1 no hydrogen 2.842 N/A LEU 147.A N ASN 144.A OD1 no hydrogen 3.139 N/A GLN 148.A N ASN 144.A O no hydrogen 3.024 N/A GLN 148.A NE2 ILE 140.A O no hydrogen 3.032 N/A ARG 149.A N ILE 145.A O no hydrogen 2.911 N/A ARG 149.A NE ASP 114.A OD1 no hydrogen 3.075 N/A ARG 149.A NH1 PHE 181.A O no hydrogen 2.912 N/A ARG 149.A NH2 ASP 114.A OD1 no hydrogen 3.168 N/A ARG 149.A NH2 ASP 114.A OD2 no hydrogen 2.964 N/A ALA 150.A N TRP 146.A O no hydrogen 2.915 N/A ALA 151.A N LEU 147.A O no hydrogen 3.034 N/A ILE 152.A N GLN 148.A O no hydrogen 3.169 N/A LEU 153.A N ARG 149.A O no hydrogen 2.960 N/A LEU 156.A N LEU 153.A O no hydrogen 2.902 N/A TYR 158.A N GLN 155.A O no hydrogen 3.003 N/A TYR 158.A OH GLY 122.A O no hydrogen 2.617 N/A LYS 161.A N TYR 158.A O no hydrogen 2.851 N/A MET 162.A N LYS 159.A O no hydrogen 2.992 N/A ASP 163.A N GLN 155.A OE1 no hydrogen 3.095 N/A LEU 166.A N ASP 163.A OD1 no hydrogen 3.279 N/A LEU 167.A N ASP 163.A O no hydrogen 2.882 N/A PHE 168.A N GLU 164.A O no hydrogen 2.888 N/A TRP 169.A N GLU 165.A O no hydrogen 2.980 N/A ILE 170.A N LEU 166.A O no hydrogen 2.901 N/A ILE 171.A N LEU 167.A O no hydrogen 2.963 N/A GLY 172.A N PHE 168.A O no hydrogen 2.831 N/A GLN 173.A N TRP 169.A O no hydrogen 2.964 N/A LEU 174.A N ILE 170.A O no hydrogen 3.261 N/A LEU 174.A N ILE 171.A O no hydrogen 2.914 N/A SER 177.A N LEU 174.A O no hydrogen 3.079 N/A GLU 179.A N SER 177.A OG no hydrogen 3.141 N/A ILE 182.A N GLU 179.A O no hydrogen 2.998 N/A GLN 183.A N GLU 179.A O no hydrogen 2.979 N/A GLN 183.A NE2 SER 177.A O no hydrogen 2.859 N/A LYS 184.A N PHE 180.A O no hydrogen 2.889 N/A LYS 184.A NZ GLU 217.A OE2 no hydrogen 3.397 N/A ALA 185.A N PHE 181.A O no hydrogen 3.131 N/A ILE 186.A N ILE 182.A O no hydrogen 2.992 N/A GLY 187.A N GLN 183.A O no hydrogen 3.109 N/A TRP 188.A N LYS 184.A O no hydrogen 2.794 N/A VAL 189.A N ALA 185.A O no hydrogen 2.943 N/A LEU 190.A N ILE 186.A O no hydrogen 3.179 N/A ARG 191.A N GLY 187.A O no hydrogen 2.886 N/A ARG 191.A NH1 GLU 217.A O no hydrogen 2.849 N/A ARG 191.A NH1 GLU 217.A OE1 no hydrogen 2.833 N/A GLU 192.A N TRP 188.A O no hydrogen 2.750 N/A TYR 193.A N VAL 189.A O no hydrogen 2.866 N/A TYR 193.A OH GLU 164.A OE2 no hydrogen 2.470 N/A ALA 194.A N LEU 190.A O no hydrogen 2.960 N/A LYS 195.A N GLU 192.A O no hydrogen 3.044 N/A LYS 195.A NZ GLU 192.A OE1 no hydrogen 2.845 N/A THR 196.A N TYR 193.A O no hydrogen 2.853 N/A ASN 197.A N TYR 193.A O no hydrogen 2.868 N/A VAL 201.A N ASN 197.A O no hydrogen 3.464 N/A TRP 202.A N PRO 198.A O no hydrogen 2.888 N/A GLU 203.A N ASP 199.A O no hydrogen 3.053 N/A TYR 204.A N VAL 200.A O no hydrogen 2.983 N/A VAL 205.A N VAL 201.A O no hydrogen 2.890 N/A GLN 206.A N TRP 202.A O no hydrogen 2.999 N/A ASN 207.A N GLU 203.A O no hydrogen 3.065 N/A ASN 207.A N TYR 204.A O no hydrogen 3.298 N/A ASN 208.A ND2 TYR 204.A O no hydrogen 2.903 N/A SER 214.A OG GLN 183.A O no hydrogen 2.761 N/A LYS 215.A N ALA 211.A O no hydrogen 3.059 N/A LYS 215.A NZ VAL 205.A O no hydrogen 2.963 N/A LYS 215.A NZ ASN 208.A O no hydrogen 2.719 N/A ARG 216.A N PRO 212.A O no hydrogen 2.871 N/A GLU 217.A N LEU 213.A O no hydrogen 2.979 N/A ALA 218.A N SER 214.A O no hydrogen 2.873 N/A ILE 219.A N LYS 215.A O no hydrogen 3.249 N/A ILE 222.A N ILE 219.A O no hydrogen 3.109 N/A LYS 223.A N ILE 219.A O no hydrogen 2.943 N/A GLN 224.A N GLN 224.A OE1 no hydrogen 2.678 N/A GLN 224.A NE2 HIS 221.A O no hydrogen 2.603 N/A ASN 225.A N ILE 222.A O no hydrogen 2.794 N/A TYR 226.A N LYS 223.A O no hydrogen 3.270 N/A TYR 226.A OH ASP 199.A OD1 no hydrogen 3.066 N/A