Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jws_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N THR 188.A O no hydrogen 3.092 N/A MET 7.A N ASP 10.A OD1 no hydrogen 3.094 N/A ASP 10.A N MET 7.A O no hydrogen 2.878 N/A LEU 11.A N PRO 8.A O no hydrogen 3.022 N/A HIS 12.A N ASP 192.A OD2 no hydrogen 2.770 N/A HIS 12.A ND1 MET 194.A O no hydrogen 2.650 N/A LYS 13.A NZ PRO 8.A O no hydrogen 2.586 N/A LYS 13.A NZ LEU 11.A O no hydrogen 3.188 N/A SER 14.A N GLU 175.A O no hydrogen 2.684 N/A SER 14.A OG TYR 174.A O no hydrogen 3.277 N/A SER 14.A OG GLU 175.A OE1 no hydrogen 3.270 N/A SER 15.A N GLU 175.A OE1 no hydrogen 2.982 N/A SER 15.A OG GLU 175.A OE2 no hydrogen 2.853 N/A GLU 16.A N LYS 13.A O no hydrogen 2.986 N/A PHE 17.A N SER 14.A O no hydrogen 3.100 N/A THR 18.A N GLY 198.A O no hydrogen 2.570 N/A THR 18.A OG1 GLY 198.A O no hydrogen 3.390 N/A GLY 22.A N PHE 169.A O no hydrogen 2.479 N/A ASN 23.A N THR 20.A O no hydrogen 3.190 N/A ASN 23.A ND2 THR 20.A O no hydrogen 3.295 N/A MET 24.A N MET 21.A O no hydrogen 2.702 N/A LYS 25.A N MET 21.A O no hydrogen 3.079 N/A TYR 26.A N GLY 22.A O no hydrogen 2.710 N/A LEU 27.A N MET 24.A O no hydrogen 2.989 N/A TYR 28.A N LYS 25.A O no hydrogen 2.943 N/A TYR 28.A OH TYR 210.A OH no hydrogen 2.711 N/A ASP 29.A N LYS 25.A O no hydrogen 2.933 N/A ASP 30.A N ASN 158.A OD1 no hydrogen 2.897 N/A HIS 31.A NE2 ASN 88.A O no hydrogen 2.632 N/A VAL 33.A N GLY 86.A O no hydrogen 2.829 N/A ALA 35.A N VAL 84.A O no hydrogen 3.072 N/A LYS 37.A N ASP 83.A OD1 no hydrogen 3.304 N/A VAL 38.A N VAL 82.A O no hydrogen 2.925 N/A SER 40.A OG LYS 78.A O no hydrogen 2.468 N/A VAL 41.A N ILE 50.A O no hydrogen 2.922 N/A MET 44.A N ASP 48.A OD1 no hydrogen 2.840 N/A PHE 45.A N ASP 48.A OD2 no hydrogen 2.682 N/A TRP 47.A NE1 GLU 67.A OE2 no hydrogen 3.374 N/A ASP 48.A N PHE 45.A O no hydrogen 3.141 N/A LEU 49.A N THR 66.A O no hydrogen 3.006 N/A ILE 50.A N ASP 42.A O no hydrogen 2.734 N/A TYR 51.A N VAL 64.A O no hydrogen 2.724 N/A ASP 55.A N TYR 61.A O no hydrogen 2.915 N/A LYS 56.A N SER 54.A O no hydrogen 2.796 N/A LYS 57.A NZ ASP 30.A O no hydrogen 3.159 N/A LEU 58.A N ASP 55.A OD2 no hydrogen 3.074 N/A LYS 59.A N ASP 55.A O no hydrogen 2.526 N/A ASN 60.A N ASP 55.A OD1 no hydrogen 2.686 N/A ASP 62.A N GLY 100.A O no hydrogen 2.806 N/A LYS 63.A NZ ASN 52.A OD1 no hydrogen 2.656 N/A VAL 64.A N TYR 51.A O no hydrogen 2.970 N/A LYS 65.A N THR 102.A O no hydrogen 3.045 N/A LYS 65.A NZ GLU 67.A OE1 no hydrogen 3.565 N/A LYS 65.A NZ TYR 94.A O no hydrogen 2.800 N/A THR 66.A N LEU 49.A O no hydrogen 2.970 N/A THR 66.A OG1 GLY 106.A O no hydrogen 2.766 N/A GLU 67.A N MET 104.A O no hydrogen 2.942 N/A LEU 68.A N TRP 47.A O no hydrogen 2.901 N/A LEU 69.A N ASN 211.A O no hydrogen 3.122 N/A LEU 73.A N ASN 70.A OD1 no hydrogen 2.715 N/A ALA 74.A N ASN 70.A O no hydrogen 3.216 N/A LYS 75.A N GLU 71.A O no hydrogen 2.808 N/A LYS 76.A N ASP 72.A O no hydrogen 2.910 N/A LYS 78.A N LYS 75.A O no hydrogen 3.192 N/A GLU 80.A N TYR 77.A O no hydrogen 3.155 N/A VAL 82.A N VAL 38.A O no hydrogen 2.787 N/A ASP 83.A N THR 109.A O no hydrogen 2.759 N/A VAL 84.A N ALA 35.A O no hydrogen 2.933 N/A TYR 85.A N GLY 107.A O no hydrogen 2.900 N/A GLY 86.A N VAL 33.A O no hydrogen 3.213 N/A SER 87.A OG LEU 27.A O no hydrogen 2.865 N/A TYR 89.A N CYS 103.A O no hydrogen 2.823 N/A ASN 92.A ND2 TYR 94.A OH no hydrogen 2.637 N/A CYS 93.A N TYR 90.A O no hydrogen 2.893 N/A LYS 101.A NZ PHE 95.A O no hydrogen 3.039 N/A THR 102.A N LYS 63.A O no hydrogen 3.029 N/A THR 102.A OG1 ASN 88.A OD1 no hydrogen 2.964 N/A THR 102.A OG1 TYR 89.A O no hydrogen 3.264 N/A CYS 103.A N TYR 89.A O no hydrogen 3.123 N/A MET 104.A N LYS 65.A O no hydrogen 2.758 N/A TYR 105.A OH SER 204.A O no hydrogen 3.420 N/A TYR 105.A OH SER 204.A OG no hydrogen 2.691 N/A GLY 106.A N GLU 67.A O no hydrogen 3.095 N/A ILE 108.A N ASN 213.A OD1 no hydrogen 2.866 N/A THR 109.A N ASP 83.A O no hydrogen 3.181 N/A HIS 111.A N VAL 81.A O no hydrogen 3.132 N/A ASN 114.A N HIS 111.A O no hydrogen 3.216 N/A ASN 114.A ND2 LYS 110.A O no hydrogen 3.618 N/A ASN 114.A ND2 SER 146.A O no hydrogen 2.967 N/A HIS 115.A NE2 ASP 83.A OD2 no hydrogen 3.095 N/A GLY 119.A N PHE 116.A O no hydrogen 3.077 N/A GLN 122.A N THR 142.A O no hydrogen 2.919 N/A VAL 124.A N VAL 140.A O no hydrogen 3.060 N/A VAL 126.A N PHE 138.A O no hydrogen 2.762 N/A ARG 127.A N ILE 223.A O no hydrogen 3.080 N/A VAL 128.A N ILE 136.A O no hydrogen 2.825 N/A TYR 129.A N VAL 225.A O no hydrogen 2.674 N/A GLU 130.A N ARG 133.A O no hydrogen 2.908 N/A ASN 131.A N LEU 227.A O no hydrogen 2.860 N/A ASN 131.A ND2 THR 229.A OG1 no hydrogen 3.285 N/A ARG 133.A N GLU 130.A O no hydrogen 3.238 N/A ASN 134.A ND2 SER 137.A OG no hydrogen 3.159 N/A THR 135.A N VAL 128.A O no hydrogen 2.989 N/A THR 135.A OG1 VAL 128.A O no hydrogen 3.563 N/A THR 135.A OG1 GLU 130.A OE2 no hydrogen 2.975 N/A SER 137.A OG ASN 134.A OD1 no hydrogen 3.105 N/A PHE 138.A N VAL 126.A O no hydrogen 2.871 N/A VAL 140.A N VAL 124.A O no hydrogen 3.170 N/A THR 142.A N GLN 122.A O no hydrogen 3.126 N/A THR 142.A OG1 GLU 151.A OE1 no hydrogen 3.041 N/A ASP 143.A N ASP 143.A OD1 no hydrogen 2.637 N/A LYS 144.A N THR 142.A OG1 no hydrogen 3.308 N/A LYS 144.A NZ ASP 143.A OD1 no hydrogen 3.141 N/A LYS 144.A NZ GLU 151.A OE1 no hydrogen 3.496 N/A LYS 144.A NZ GLU 151.A OE2 no hydrogen 2.945 N/A LYS 145.A N ASN 114.A O no hydrogen 3.023 N/A LYS 145.A NZ GLY 113.A O no hydrogen 3.392 N/A SER 146.A N ASN 114.A OD1 no hydrogen 2.840 N/A VAL 147.A N VAL 216.A O no hydrogen 2.781 N/A ALA 149.A N LYS 214.A O no hydrogen 2.847 N/A GLU 151.A N THR 148.A O no hydrogen 2.963 N/A GLU 151.A N THR 148.A OG1 no hydrogen 3.058 N/A LEU 152.A N THR 148.A O no hydrogen 3.456 N/A ASP 153.A N ALA 149.A O no hydrogen 2.705 N/A ILE 154.A N GLN 150.A O no hydrogen 2.849 N/A LYS 155.A N GLU 151.A O no hydrogen 3.106 N/A LYS 155.A NZ GLN 141.A O no hydrogen 2.716 N/A LYS 155.A NZ GLU 151.A OE1 no hydrogen 2.778 N/A ALA 156.A N LEU 152.A O no hydrogen 2.849 N/A ARG 157.A N ASP 153.A O no hydrogen 2.913 N/A ARG 157.A NE ASP 153.A OD2 no hydrogen 2.783 N/A ARG 157.A NH1 TYR 167.A OH no hydrogen 2.902 N/A ARG 157.A NH1 TYR 206.A OH no hydrogen 2.874 N/A ARG 157.A NH2 ASP 153.A OD1 no hydrogen 2.966 N/A ARG 157.A NH2 TYR 206.A OH no hydrogen 2.868 N/A ASN 158.A N ILE 154.A O no hydrogen 2.857 N/A PHE 159.A N LYS 155.A O no hydrogen 3.244 N/A LEU 160.A N ALA 156.A O no hydrogen 2.934 N/A ILE 161.A N ARG 157.A O no hydrogen 2.883 N/A ILE 161.A N ASN 158.A O no hydrogen 3.279 N/A ASN 162.A N ASN 158.A O no hydrogen 3.390 N/A ASN 162.A N PHE 159.A O no hydrogen 2.939 N/A LYS 163.A N PHE 159.A O no hydrogen 2.892 N/A LYS 164.A NZ GLU 130.A OE2 no hydrogen 3.129 N/A LEU 166.A N LEU 160.A O no hydrogen 2.957 N/A TYR 167.A OH MET 193.A O no hydrogen 2.737 N/A SER 171.A OG SER 172.A O no hydrogen 3.449 N/A SER 172.A OG LEU 166.A O no hydrogen 3.032 N/A SER 172.A OG TYR 174.A O no hydrogen 3.361 N/A TYR 174.A N SER 172.A OG no hydrogen 2.951 N/A TYR 174.A OH GLU 130.A OE1 no hydrogen 2.982 N/A GLU 175.A N THR 228.A O no hydrogen 2.579 N/A THR 176.A N THR 228.A OG1 no hydrogen 3.255 N/A THR 176.A OG1 THR 228.A OG1 no hydrogen 2.616 N/A TYR 178.A N HIS 226.A O no hydrogen 3.098 N/A ILE 179.A N TYR 191.A O no hydrogen 2.982 N/A LYS 180.A N GLU 224.A O no hydrogen 2.619 N/A LYS 180.A NZ ASP 5.A OD1 no hydrogen 2.923 N/A LYS 180.A NZ ASP 5.A OD2 no hydrogen 2.962 N/A PHE 181.A N PHE 189.A O no hydrogen 2.730 N/A ILE 182.A N LYS 222.A O no hydrogen 2.753 N/A GLU 183.A N ASN 187.A O no hydrogen 2.760 N/A ASN 184.A ND2 SER 220.A OG no hydrogen 2.577 N/A GLY 186.A N GLU 183.A O no hydrogen 2.765 N/A ASN 187.A N ASN 185.A OD1 no hydrogen 2.814 N/A ASN 187.A ND2 GLU 183.A OE1 no hydrogen 2.722 N/A PHE 189.A N PHE 181.A O no hydrogen 3.180 N/A TRP 190.A N GLN 3.A OE1 no hydrogen 3.154 N/A TRP 190.A NE1 PRO 4.A O no hydrogen 2.842 N/A TYR 191.A N ILE 179.A O no hydrogen 2.884 N/A MET 193.A N GLY 177.A O no hydrogen 2.691 N/A MET 194.A N ASP 192.A OD1 no hydrogen 2.856 N/A GLY 198.A N GLU 16.A O no hydrogen 2.962 N/A GLN 203.A NE2 ASN 23.A O no hydrogen 2.860 N/A SER 204.A OG TYR 89.A OH no hydrogen 3.260 N/A SER 204.A OG TYR 105.A OH no hydrogen 2.691 N/A LYS 205.A N ASP 202.A OD1 no hydrogen 3.145 N/A TYR 206.A N ASP 202.A O no hydrogen 2.940 N/A TYR 206.A OH ASP 192.A O no hydrogen 2.726 N/A LEU 207.A N GLN 203.A O no hydrogen 2.979 N/A MET 208.A N SER 204.A O no hydrogen 2.939 N/A MET 208.A N LYS 205.A O no hydrogen 3.290 N/A MET 209.A N TYR 206.A O no hydrogen 3.289 N/A TYR 210.A N LEU 207.A O no hydrogen 2.938 N/A TYR 210.A OH TYR 28.A OH no hydrogen 2.711 N/A TYR 210.A OH ASP 153.A OD1 no hydrogen 2.593 N/A ASN 211.A N MET 208.A O no hydrogen 2.776 N/A ASN 211.A ND2 GLU 67.A O no hydrogen 3.560 N/A ASN 213.A N TYR 210.A O no hydrogen 2.991 N/A ASN 213.A ND2 ILE 108.A O no hydrogen 2.965 N/A LYS 214.A N ASP 212.A OD1 no hydrogen 2.882 N/A LYS 214.A NZ GLU 183.A OE1 no hydrogen 2.856 N/A LYS 214.A NZ THR 215.A O no hydrogen 3.365 N/A VAL 216.A N VAL 147.A O no hydrogen 2.641 N/A SER 218.A N LYS 145.A O no hydrogen 2.863 N/A SER 218.A OG LYS 144.A O no hydrogen 2.673 N/A SER 218.A OG LYS 145.A O no hydrogen 2.711 N/A LYS 219.A NZ ASP 217.A OD2 no hydrogen 3.257 N/A SER 220.A N ASP 217.A O no hydrogen 3.133 N/A SER 220.A OG ASP 217.A OD2 no hydrogen 2.598 N/A VAL 221.A N ASP 217.A O no hydrogen 2.908 N/A LYS 222.A N ILE 182.A O no hydrogen 2.880 N/A ILE 223.A N LEU 125.A O no hydrogen 3.024 N/A GLU 224.A N LYS 180.A O no hydrogen 2.887 N/A VAL 225.A N ARG 127.A O no hydrogen 2.990 N/A HIS 226.A N TYR 178.A O no hydrogen 2.900 N/A LEU 227.A N TYR 129.A O no hydrogen 2.482 N/A THR 228.A N THR 176.A O no hydrogen 2.962 N/A THR 228.A OG1 THR 176.A O no hydrogen 3.337 N/A THR 228.A OG1 THR 176.A OG1 no hydrogen 2.616 N/A THR 229.A N ASN 131.A OD1 no hydrogen 3.177 N/A THR 229.A OG1 ASN 131.A OD1 no hydrogen 3.447 N/A LYS 230.A NZ GLU 175.A OE2 no hydrogen 3.144 N/A