Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wrq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ GLN 32.A OE1 no hydrogen 3.390 N/A LEU 6.A N ASP 2.A O no hydrogen 2.961 N/A VAL 7.A N LYS 3.A O no hydrogen 2.804 N/A GLN 8.A N ASN 4.A O no hydrogen 3.026 N/A LYS 9.A N GLU 5.A O no hydrogen 2.762 N/A ALA 10.A N LEU 6.A O no hydrogen 2.895 N/A LYS 11.A N VAL 7.A O no hydrogen 3.026 N/A LYS 11.A NZ GLU 39.A OE2 no hydrogen 2.760 N/A LEU 12.A N GLN 8.A O no hydrogen 3.086 N/A ALA 13.A N LYS 9.A O no hydrogen 2.751 N/A GLU 14.A N ALA 10.A O no hydrogen 2.921 N/A GLN 15.A N LYS 11.A O no hydrogen 3.118 N/A ALA 16.A N LEU 12.A O no hydrogen 2.979 N/A GLU 17.A N GLU 14.A O no hydrogen 2.869 N/A ARG 18.A N ALA 13.A O no hydrogen 2.891 N/A ARG 18.A NE ASP 21.A OD2 no hydrogen 2.748 N/A ARG 18.A NH2 ASP 21.A OD2 no hydrogen 3.127 N/A MET 22.A N ARG 18.A O no hydrogen 3.117 N/A ALA 23.A N TYR 19.A O no hydrogen 2.699 N/A ALA 24.A N ASP 20.A O no hydrogen 2.994 N/A CYS 25.A N ASP 21.A O no hydrogen 2.957 N/A CYS 25.A SG ASP 21.A O no hydrogen 3.285 N/A MET 26.A N MET 22.A O no hydrogen 3.081 N/A LYS 27.A N ALA 23.A O no hydrogen 2.801 N/A LYS 27.A NZ ASP 86.A OD1 no hydrogen 2.843 N/A SER 28.A N ALA 24.A O no hydrogen 3.081 N/A SER 28.A OG ALA 24.A O no hydrogen 3.150 N/A VAL 29.A N CYS 25.A O no hydrogen 3.089 N/A THR 30.A N MET 26.A O no hydrogen 2.832 N/A THR 30.A OG1 MET 26.A O no hydrogen 2.763 N/A GLU 31.A N LYS 27.A O no hydrogen 2.864 N/A GLU 31.A N SER 28.A O no hydrogen 3.181 N/A GLN 32.A N VAL 29.A O no hydrogen 3.197 N/A GLY 33.A N THR 30.A O no hydrogen 3.344 N/A SER 37.A N GLU 40.A OE1 no hydrogen 2.450 N/A GLU 40.A N SER 37.A OG no hydrogen 3.169 N/A ARG 41.A N SER 37.A O no hydrogen 3.024 N/A ARG 41.A NH2 GLU 103.A OE2 no hydrogen 3.253 N/A ASN 42.A N ASN 38.A O no hydrogen 3.096 N/A LEU 43.A N GLU 39.A O no hydrogen 3.030 N/A LEU 44.A N GLU 40.A O no hydrogen 2.881 N/A SER 45.A N ARG 41.A O no hydrogen 3.066 N/A VAL 46.A N ASN 42.A O no hydrogen 2.880 N/A ALA 47.A N LEU 43.A O no hydrogen 2.989 N/A TYR 48.A N LEU 44.A O no hydrogen 3.119 N/A TYR 48.A OH ASP 86.A OD2 no hydrogen 2.481 N/A LYS 49.A N SER 45.A O no hydrogen 2.883 N/A ASN 50.A N VAL 46.A O no hydrogen 3.218 N/A ASN 50.A ND2 VAL 46.A O no hydrogen 2.755 N/A VAL 51.A N ALA 47.A O no hydrogen 3.143 N/A VAL 52.A N TYR 48.A O no hydrogen 2.829 N/A GLY 53.A N LYS 49.A O no hydrogen 2.832 N/A ALA 54.A N ASN 50.A O no hydrogen 3.108 N/A ARG 55.A NE GLU 79.A OE1 no hydrogen 2.688 N/A ARG 55.A NH1 VAL 51.A O no hydrogen 3.329 N/A ARG 55.A NH2 GLU 79.A OE1 no hydrogen 3.109 N/A ARG 56.A N VAL 52.A O no hydrogen 3.000 N/A ARG 56.A NE GLU 121.A OE1 no hydrogen 3.085 N/A ARG 56.A NH2 GLU 121.A OE2 no hydrogen 3.230 N/A SER 57.A N GLY 53.A O no hydrogen 3.019 N/A SER 58.A N ALA 54.A O no hydrogen 2.942 N/A SER 58.A OG ALA 54.A O no hydrogen 3.279 N/A TRP 59.A N ARG 55.A O no hydrogen 2.841 N/A TRP 59.A NE1 GLU 77.A OE1 no hydrogen 2.625 N/A ARG 60.A N ARG 56.A O no hydrogen 3.213 N/A VAL 61.A N SER 57.A O no hydrogen 3.327 N/A VAL 62.A N SER 58.A O no hydrogen 3.060 N/A SER 63.A N TRP 59.A O no hydrogen 2.670 N/A SER 64.A N ARG 60.A O no hydrogen 3.069 N/A ILE 65.A N VAL 61.A O no hydrogen 3.052 N/A GLU 66.A N VAL 62.A O no hydrogen 3.054 N/A TYR 72.A N MET 68.A O no hydrogen 3.143 N/A ARG 73.A N ALA 69.A O no hydrogen 2.725 N/A ARG 73.A NH1 GLU 66.A OE1 no hydrogen 2.765 N/A GLU 74.A N ARG 70.A O no hydrogen 3.129 N/A LYS 75.A N GLU 71.A O no hydrogen 3.388 N/A ILE 76.A N TYR 72.A O no hydrogen 3.058 N/A GLU 77.A N ARG 73.A O no hydrogen 3.026 N/A THR 78.A N GLU 74.A O no hydrogen 2.989 N/A THR 78.A OG1 GLU 74.A O no hydrogen 2.999 N/A GLU 79.A N LYS 75.A O no hydrogen 3.218 N/A LEU 80.A N ILE 76.A O no hydrogen 2.760 N/A ARG 81.A N GLU 77.A O no hydrogen 2.669 N/A ARG 81.A NH2 GLU 77.A OE2 no hydrogen 2.396 N/A ASP 82.A N THR 78.A O no hydrogen 2.879 N/A ILE 83.A N GLU 79.A O no hydrogen 2.865 N/A CYS 84.A N LEU 80.A O no hydrogen 3.073 N/A CYS 84.A SG LEU 80.A O no hydrogen 3.465 N/A CYS 84.A SG TYR 115.A O no hydrogen 3.808 N/A ASN 85.A N ARG 81.A O no hydrogen 2.949 N/A ASP 86.A N ASP 82.A O no hydrogen 3.046 N/A VAL 87.A N ILE 83.A O no hydrogen 3.126 N/A LEU 88.A N CYS 84.A O no hydrogen 2.814 N/A SER 89.A N ASN 85.A O no hydrogen 2.824 N/A LEU 90.A N ASP 86.A O no hydrogen 3.091 N/A LEU 91.A N VAL 87.A O no hydrogen 3.054 N/A LEU 91.A N LEU 88.A O no hydrogen 3.245 N/A GLU 92.A N LEU 88.A O no hydrogen 3.147 N/A LYS 93.A N SER 89.A O no hydrogen 3.002 N/A PHE 94.A N LEU 90.A O no hydrogen 3.100 N/A LEU 95.A N LEU 90.A O no hydrogen 3.107 N/A ILE 96.A N LEU 91.A O no hydrogen 2.924 N/A ASN 98.A N PHE 94.A O no hydrogen 3.284 N/A ALA 99.A N ILE 96.A O no hydrogen 3.181 N/A SER 100.A N GLU 35.A OE2 no hydrogen 3.187 N/A SER 100.A OG GLU 35.A OE1 no hydrogen 2.935 N/A SER 100.A OG GLU 35.A OE2 no hydrogen 3.196 N/A SER 104.A N GLN 101.A O no hydrogen 3.253 N/A LYS 105.A N GLN 101.A O no hydrogen 3.209 N/A VAL 106.A N ALA 102.A O no hydrogen 3.021 N/A PHE 107.A N GLU 103.A O no hydrogen 3.002 N/A TYR 108.A N SER 104.A O no hydrogen 2.872 N/A LEU 109.A N LYS 105.A O no hydrogen 2.869 N/A LYS 110.A N VAL 106.A O no hydrogen 2.777 N/A LYS 110.A NZ ASP 114.A OD2 no hydrogen 2.689 N/A MET 111.A N PHE 107.A O no hydrogen 3.011 N/A LYS 112.A N TYR 108.A O no hydrogen 2.900 N/A LYS 112.A NZ GLU 92.A OE2 no hydrogen 3.026 N/A GLY 113.A N LEU 109.A O no hydrogen 2.989 N/A ASP 114.A N LYS 110.A O no hydrogen 2.699 N/A TYR 115.A N MET 111.A O no hydrogen 2.896 N/A TYR 116.A N LYS 112.A O no hydrogen 3.122 N/A ARG 117.A N GLY 113.A O no hydrogen 2.880 N/A ARG 117.A NE TYR 139.A OH no hydrogen 2.915 N/A ARG 117.A NH2 ASP 114.A OD1 no hydrogen 3.183 N/A ARG 117.A NH2 TYR 139.A OH no hydrogen 3.526 N/A TYR 118.A N ASP 114.A O no hydrogen 2.901 N/A LEU 119.A N TYR 115.A O no hydrogen 3.278 N/A ALA 120.A N TYR 116.A O no hydrogen 2.781 N/A GLU 121.A N ARG 117.A O no hydrogen 2.925 N/A VAL 122.A N LEU 119.A O no hydrogen 3.101 N/A ALA 123.A N ALA 120.A O no hydrogen 3.293 N/A LYS 128.A N GLY 125.A O no hydrogen 3.161 N/A LYS 129.A NZ ASP 126.A OD1 no hydrogen 2.639 N/A ILE 131.A N ASP 127.A O no hydrogen 3.397 N/A VAL 132.A N LYS 128.A O no hydrogen 2.656 N/A ASP 133.A N LYS 129.A O no hydrogen 2.955 N/A GLN 134.A N GLY 130.A O no hydrogen 2.894 N/A SER 135.A N ILE 131.A O no hydrogen 2.935 N/A SER 135.A OG GLY 113.A O no hydrogen 2.908 N/A GLN 136.A N VAL 132.A O no hydrogen 3.042 N/A GLN 137.A N ASP 133.A O no hydrogen 2.859 N/A GLN 137.A NE2 ASP 133.A OD2 no hydrogen 2.980 N/A ALA 138.A N GLN 134.A O no hydrogen 3.202 N/A TYR 139.A N SER 135.A O no hydrogen 2.949 N/A TYR 139.A OH ASP 114.A OD1 no hydrogen 2.620 N/A GLN 140.A N GLN 136.A O no hydrogen 2.787 N/A GLU 141.A N GLN 137.A O no hydrogen 3.194 N/A ALA 142.A N ALA 138.A O no hydrogen 3.240 N/A PHE 143.A N TYR 139.A O no hydrogen 2.888 N/A GLU 144.A N GLN 140.A O no hydrogen 2.981 N/A ILE 145.A N GLU 141.A O no hydrogen 3.059 N/A SER 146.A N ALA 142.A O no hydrogen 2.939 N/A SER 146.A OG ALA 142.A O no hydrogen 3.567 N/A SER 146.A OG PHE 143.A O no hydrogen 2.922 N/A LYS 147.A N PHE 143.A O no hydrogen 3.049 N/A LYS 148.A N GLU 144.A O no hydrogen 3.088 N/A GLU 149.A N ILE 145.A O no hydrogen 2.740 N/A MET 150.A N SER 146.A O no hydrogen 2.816 N/A THR 153.A OG1 THR 195.A OG1 no hydrogen 2.483 N/A HIS 154.A N GLN 151.A O no hydrogen 3.007 N/A ILE 156.A N HIS 154.A ND1 no hydrogen 3.079 N/A ARG 157.A NH1 MET 150.A O no hydrogen 2.696 N/A LEU 158.A N HIS 154.A O no hydrogen 2.947 N/A GLY 159.A N PRO 155.A O no hydrogen 2.872 N/A LEU 160.A N ILE 156.A O no hydrogen 3.122 N/A ALA 161.A N ARG 157.A O no hydrogen 3.136 N/A LEU 162.A N LEU 158.A O no hydrogen 3.055 N/A ASN 163.A N GLY 159.A O no hydrogen 3.086 N/A ASN 163.A ND2 ASP 114.A OD1 no hydrogen 2.580 N/A ASN 163.A ND2 ASP 114.A OD2 no hydrogen 3.225 N/A PHE 164.A N LEU 160.A O no hydrogen 2.824 N/A SER 165.A N ALA 161.A O no hydrogen 2.734 N/A SER 165.A OG ALA 161.A O no hydrogen 3.241 N/A SER 165.A OG LEU 162.A O no hydrogen 2.907 N/A VAL 166.A N LEU 162.A O no hydrogen 2.996 N/A PHE 167.A N ASN 163.A O no hydrogen 2.816 N/A TYR 168.A N PHE 164.A O no hydrogen 3.131 N/A TYR 169.A N SER 165.A O no hydrogen 3.051 N/A GLU 170.A N VAL 166.A O no hydrogen 2.878 N/A ILE 171.A N PHE 167.A O no hydrogen 2.921 N/A LEU 172.A N PHE 167.A O no hydrogen 3.259 N/A SER 174.A N TYR 168.A O no hydrogen 2.742 N/A SER 174.A OG LEU 172.A O no hydrogen 2.767 N/A ALA 178.A N SER 174.A O no hydrogen 3.021 N/A CYS 179.A N PRO 175.A O no hydrogen 2.832 N/A CYS 179.A SG PRO 175.A O no hydrogen 3.161 N/A SER 180.A N GLU 176.A O no hydrogen 2.835 N/A LEU 181.A N LYS 177.A O no hydrogen 2.768 N/A ALA 182.A N ALA 178.A O no hydrogen 2.912 N/A LYS 183.A N CYS 179.A O no hydrogen 2.759 N/A LYS 183.A NZ ASP 187.A OD2 no hydrogen 2.565 N/A THR 184.A N SER 180.A O no hydrogen 3.029 N/A THR 184.A OG1 SER 180.A O no hydrogen 3.075 N/A ALA 185.A N LEU 181.A O no hydrogen 3.013 N/A PHE 186.A N ALA 182.A O no hydrogen 3.052 N/A ASP 187.A N LYS 183.A O no hydrogen 2.787 N/A GLU 188.A N THR 184.A O no hydrogen 2.979 N/A ALA 189.A N ALA 185.A O no hydrogen 3.262 N/A ILE 190.A N PHE 186.A O no hydrogen 2.953 N/A ALA 191.A N ASP 187.A O no hydrogen 2.949 N/A GLU 192.A N ALA 189.A O no hydrogen 3.017 N/A THR 195.A N GLU 192.A O no hydrogen 3.098 N/A THR 195.A OG1 THR 153.A OG1 no hydrogen 2.483 N/A THR 195.A OG1 GLU 192.A O no hydrogen 2.698 N/A LEU 196.A N LEU 193.A O no hydrogen 3.041 N/A TYR 201.A N SER 197.A O no hydrogen 3.281 N/A LYS 202.A NZ TYR 201.A OH no hydrogen 2.705 N/A SER 204.A N SER 200.A O no hydrogen 2.969 N/A SER 204.A OG THR 153.A O no hydrogen 2.482 N/A THR 205.A N TYR 201.A O no hydrogen 2.907 N/A THR 205.A OG1 TYR 201.A O no hydrogen 2.798 N/A THR 205.A OG1 LYS 202.A O no hydrogen 3.172 N/A LEU 206.A N LYS 202.A O no hydrogen 3.051 N/A ILE 207.A N ASP 203.A O no hydrogen 3.003 N/A MET 208.A N SER 204.A O no hydrogen 3.169 N/A GLN 209.A N THR 205.A O no hydrogen 3.079 N/A GLN 209.A NE2 THR 205.A O no hydrogen 3.255 N/A LEU 210.A N LEU 206.A O no hydrogen 2.996 N/A LEU 211.A N ILE 207.A O no hydrogen 2.933 N/A ARG 212.A N MET 208.A O no hydrogen 2.917 N/A ASP 213.A N GLN 209.A O no hydrogen 2.775 N/A ASN 214.A N LEU 210.A O no hydrogen 2.844 N/A LEU 215.A N LEU 211.A O no hydrogen 2.869 N/A THR 216.A N ARG 212.A O no hydrogen 2.897 N/A THR 216.A OG1 ARG 212.A O no hydrogen 3.010 N/A LEU 217.A N ASP 213.A O no hydrogen 3.093 N/A TRP 218.A N ASN 214.A O no hydrogen 2.986 N/A THR 219.A N LEU 215.A O no hydrogen 3.182 N/A THR 219.A OG1 LEU 215.A O no hydrogen 3.283 N/A SER 220.A N LEU 217.A O no hydrogen 3.233 N/A