HBOND SUMMARY: output to file ade1l_hbond_wat.out, data was sorted, intra-residue interactions are NOT included, Distance cutoff is 3.50 angstroms, angle cutoff is -1.00 degrees Hydrogen bond information dumped for occupancies > 0.00 DONOR ACCEPTORH ACCEPTOR atom# :res@atom atom# :res@atom atom# :res@atom %occupied distance angle | 508 :16@O2 | 57 :2@H22 55 :2@N2 | 100.00 2.857 ( 0.11) 132.72 ( 6.36) | 90 :3@O2 | 475 :15@H22 473 :15@N2 | 100.00 2.850 ( 0.11) 134.71 ( 6.26) | 188 :6@O2 | 347 :11@H22 345 :11@N2 | 99.95 2.867 ( 0.12) 132.83 ( 6.54) | 539 :17@O2 | 23 :1@H22 21 :1@N2 | 99.74 2.901 ( 0.13) 135.84 ( 6.76) | 282 :9@O2 | 250 :8@H22 248 :8@N2 | 99.69 2.898 ( 0.14) 134.96 ( 6.98) | 375 :12@O4 | 152 :5@H62 150 :5@N6 | 99.17 2.923 ( 0.15) 134.22 ( 6.06) | 443 :14@O2 | 122 :4@H22 120 :4@N2 | 97.12 2.885 ( 0.15) 135.89 (10.35) | 214 :7@O4 | 310 :10@H62 308 :10@N6 | 95.10 2.980 ( 0.18) 133.51 ( 5.51) | 341 :11@O6 | 310 :10@H62 308 :10@N6 | 71.00 3.233 ( 0.16) 107.69 (13.79) | 116 :4@O6 | 152 :5@H62 150 :5@N6 | 52.40 3.274 ( 0.15) 104.17 (18.78) | 90 :3@O2 | 57 :2@H22 55 :2@N2 | 47.40 3.292 ( 0.14) 113.72 (11.20) | 218 :7@O2 | 347 :11@H22 345 :11@N2 | 45.29 3.288 ( 0.15) 103.72 (14.27) | 539 :17@O2 | 57 :2@H22 55 :2@N2 | 38.60 3.307 ( 0.14) 107.18 (12.27) | 314 :10@N3 | 250 :8@H22 248 :8@N2 | 37.93 3.333 ( 0.12) 101.51 (14.55) | 244 :8@O6 | 310 :10@H62 308 :10@N6 | 35.76 3.300 ( 0.14) 116.00 (11.04) | 341 :11@O6 | 152 :5@H62 150 :5@N6 | 35.02 3.226 ( 0.18) 109.13 (12.11) | 508 :16@O2 | 475 :15@H22 473 :15@N2 | 32.57 3.318 ( 0.14) 114.30 (10.63) | 379 :12@O2 | 347 :11@H22 345 :11@N2 | 28.83 3.315 ( 0.13) 107.75 (13.05) | 58 :2@N3 | 23 :1@H22 21 :1@N2 | 26.74 3.353 ( 0.11) 113.65 (11.80) | 466 :15@N7 | 122 :4@H22 120 :4@N2 | 17.90 3.348 ( 0.11) 113.90 (12.58) | 156 :5@N3 | 122 :4@H22 120 :4@N2 | 14.48 3.359 ( 0.11) 119.64 (13.27) | 123 :4@N3 | 475 :15@H22 473 :15@N2 | 5.00 3.392 ( 0.09) 117.70 ( 9.54) | 205 :7@O4' | 407 :13@H62 405 :13@N6 | 4.12 3.152 ( 0.18) 36.86 (15.35) | 338 :11@N7 | 310 :10@H62 308 :10@N6 | 4.05 3.393 ( 0.09) 101.70 (12.05) | 476 :15@N3 | 122 :4@H22 120 :4@N2 | 3.31 3.406 ( 0.08) 88.93 (10.55) | 107 :4@O4' | 475 :15@H22 473 :15@N2 | 3.02 3.385 ( 0.10) 101.87 (10.23) | 292 :10@O2P | 261 :9@H5T 262 :9@O5' | 1.79 2.875 ( 0.30) 34.45 (35.04) | 141 :5@O4' | 122 :4@H22 120 :4@N2 | 1.69 3.390 ( 0.09) 79.44 (12.85) | 35 :2@O2P | 1 :1@H5T 2 :1@O5' | 0.93 3.059 ( 0.32) 53.12 (51.07) | 469 :15@O6 | 122 :4@H22 120 :4@N2 | 0.67 3.413 ( 0.06) 123.82 (11.18) | 366 :12@O4' | 407 :13@H62 405 :13@N6 | 0.52 3.342 ( 0.15) 108.53 (15.71) | 305 :10@N7 | 250 :8@H22 248 :8@N2 | 0.36 3.391 ( 0.08) 117.14 (10.07) | 494 :16@O4' | 475 :15@H22 473 :15@N2 | 0.33 3.406 ( 0.09) 78.31 (11.10) | 348 :11@N3 | 407 :13@H62 405 :13@N6 | 0.29 3.313 ( 0.18) 49.69 (17.16) | 366 :12@O4' | 347 :11@H22 345 :11@N2 | 0.26 3.423 ( 0.04) 81.92 (10.14) | 282 :9@O2 | 310 :10@H62 308 :10@N6 | 0.17 3.312 ( 0.14) 67.18 (11.43) | 113 :4@N7 | 152 :5@H62 150 :5@N6 | 0.17 3.368 ( 0.09) 73.25 (15.02) | 299 :10@O4' | 250 :8@H22 248 :8@N2 | 0.14 3.373 ( 0.09) 96.22 ( 9.42) | 205 :7@O4' | 347 :11@H22 345 :11@N2 | 0.14 3.312 ( 0.14) 105.66 (10.05) | 525 :17@O4' | 57 :2@H22 55 :2@N2 | 0.10 3.409 ( 0.08) 97.07 ( 3.46) | 460 :15@O4' | 122 :4@H22 120 :4@N2 | 0.07 3.445 ( 0.06) 75.56 (11.09) | 402 :13@N7 | 347 :11@H22 345 :11@N2 | 0.07 3.084 ( 0.15) 34.39 (19.73) | 48 :2@N7 | 23 :1@H22 21 :1@N2 | 0.07 3.427 ( 0.05) 105.06 ( 1.73) | 147 :5@N7 | 122 :4@H22 120 :4@N2 | 0.05 3.449 ( 0.04) 120.31 ( 4.79) | 443 :14@O2 | 152 :5@H62 150 :5@N6 | 0.02 3.482 ( 0.00) 145.74 ( 0.00) | 358 :12@O1P | 407 :13@H62 405 :13@N6 | 0.02 3.047 ( 0.00) 97.98 ( 0.02) | 356 :11@O3' | 407 :13@H62 405 :13@N6 | 0.02 3.368 ( 0.00) 82.30 ( 0.00) | 188 :6@O2 | 407 :13@H62 405 :13@N6 | 0.02 3.307 ( 0.00) 59.09 ( 0.01) | 42 :2@O4' | 23 :1@H22 21 :1@N2 | 0.02 3.478 ( 0.00) 54.39 ( 0.00) ---------------- --------------------------------- ------------------------------------- | 133 :5@O1P | solvent acceptor | 749.00 2.883 ( 0.27) 73.08 (48.66) | 68 :3@O1P | solvent acceptor | 748.29 2.886 ( 0.27) 73.88 (48.86) | 487 :16@O2P | solvent acceptor | 748.19 2.883 ( 0.27) 73.59 (48.90) | 166 :6@O1P | solvent acceptor | 746.05 2.883 ( 0.27) 73.43 (48.82) | 99 :4@O1P | solvent acceptor | 742.52 2.877 ( 0.27) 73.32 (49.00) | 452 :15@O1P | solvent acceptor | 741.43 2.899 ( 0.27) 75.64 (49.09) | 517 :17@O1P | solvent acceptor | 734.62 2.888 ( 0.27) 74.02 (48.72) | 421 :14@O1P | solvent acceptor | 722.62 2.871 ( 0.26) 72.70 (48.87) | 34 :2@O1P | solvent acceptor | 717.62 2.889 ( 0.27) 74.36 (48.97) | 388 :13@O1P | solvent acceptor | 708.05 2.882 ( 0.27) 74.14 (48.81) | 100 :4@O2P | solvent acceptor | 694.24 2.896 ( 0.27) 77.51 (50.24) | 134 :5@O2P | solvent acceptor | 691.19 2.875 ( 0.26) 74.29 (50.00) | 486 :16@O1P | solvent acceptor | 690.76 2.867 ( 0.26) 73.11 (49.56) | 167 :6@O2P | solvent acceptor | 681.76 2.860 ( 0.26) 72.83 (49.84) | 35 :2@O2P | solvent acceptor | 679.43 2.857 ( 0.26) 73.30 (49.76) | 518 :17@O2P | solvent acceptor | 678.52 2.860 ( 0.26) 73.30 (49.52) | 69 :3@O2P | solvent acceptor | 677.81 2.865 ( 0.26) 74.08 (50.09) | 453 :15@O2P | solvent acceptor | 674.90 2.876 ( 0.26) 75.19 (50.04) | 422 :14@O2P | solvent acceptor | 658.57 2.864 ( 0.26) 72.60 (48.88) | 358 :12@O1P | solvent acceptor | 632.33 2.893 ( 0.27) 75.17 (49.03) | 2 :1@O5' | solvent acceptor | 613.19 3.005 ( 0.26) 99.54 (43.41) | 546 :17@O3' | solvent acceptor | 611.81 3.026 ( 0.26) 102.27 (42.19) | 359 :12@O2P | solvent acceptor | 602.29 2.857 ( 0.25) 73.15 (49.19) | 197 :7@O1P | solvent acceptor | 598.33 2.849 ( 0.25) 72.82 (50.27) | 389 :13@O2P | solvent acceptor | 546.95 2.854 ( 0.26) 73.14 (50.05) | 325 :11@O2P | solvent acceptor | 539.33 2.860 ( 0.26) 73.06 (49.52) | 324 :11@O1P | solvent acceptor | 497.14 2.884 ( 0.27) 74.06 (48.91) | 17 :1@O6 | solvent acceptor | 475.14 3.038 ( 0.26) 83.39 (43.39) | 198 :7@O2P | solvent acceptor | 471.52 2.909 ( 0.28) 74.55 (48.08) | 14 :1@N7 | solvent acceptor | 461.33 3.117 ( 0.23) 85.39 (44.33) | 292 :10@O2P | solvent acceptor | 448.62 2.865 ( 0.26) 75.39 (50.68) | 402 :13@N7 | solvent acceptor | 438.05 3.083 ( 0.23) 83.98 (45.90) | 116 :4@O6 | solvent acceptor | 436.29 2.959 ( 0.26) 78.86 (44.85) | 375 :12@O4 | solvent acceptor | 433.38 3.008 ( 0.26) 84.25 (45.49) | 411 :13@N3 | solvent acceptor | 394.71 3.084 ( 0.23) 81.82 (44.84) | 539 :17@O2 | solvent acceptor | 321.48 2.999 ( 0.27) 81.87 (45.60) | 113 :4@N7 | solvent acceptor | 317.00 3.088 ( 0.23) 86.06 (44.39) | 147 :5@N7 | solvent acceptor | 310.52 3.066 ( 0.24) 86.72 (47.48) | 48 :2@N7 | solvent acceptor | 310.00 3.057 ( 0.23) 78.98 (44.86) | 291 :10@O1P | solvent acceptor | 308.05 2.918 ( 0.28) 77.36 (49.17) | 51 :2@O6 | solvent acceptor | 306.62 2.977 ( 0.27) 80.09 (45.28) | solvent donor | 1 :1@H5T 2 :1@O5' | 306.60 3.005 ( 0.26) 84.71 (49.52) | solvent donor | 547 :17@H3T 546 :17@O3' | 305.90 3.026 ( 0.26) 86.05 (46.72) | 469 :15@O6 | solvent acceptor | 302.00 2.969 ( 0.27) 79.26 (45.12) | 466 :15@N7 | solvent acceptor | 297.86 3.034 ( 0.23) 77.76 (45.68) | 443 :14@O2 | solvent acceptor | 295.90 3.031 ( 0.26) 83.30 (41.93) | 97 :3@O3' | solvent acceptor | 287.43 3.131 ( 0.23) 87.91 (39.78) | 484 :15@O3' | solvent acceptor | 282.95 3.130 ( 0.24) 87.27 (39.76) | 66 :2@O3' | solvent acceptor | 278.95 3.132 ( 0.23) 87.21 (40.03) | 131 :4@O3' | solvent acceptor | 275.76 3.122 ( 0.24) 86.86 (39.97) | 164 :5@O3' | solvent acceptor | 275.24 3.137 ( 0.23) 86.84 (39.73) | 8 :1@O4' | solvent acceptor | 275.24 3.161 ( 0.22) 95.45 (39.69) | 341 :11@O6 | solvent acceptor | 274.48 2.946 ( 0.26) 77.75 (45.95) | 228 :8@O2P | solvent acceptor | 273.19 2.819 ( 0.23) 71.44 (50.96) | 515 :16@O3' | solvent acceptor | 272.24 3.125 ( 0.24) 87.09 (40.03) | 262 :9@O5' | solvent acceptor | 263.86 3.007 ( 0.26) 99.27 (43.81) | 396 :13@O4' | solvent acceptor | 258.57 3.142 ( 0.22) 87.45 (37.00) | solvent donor | 407 :13@H62 405 :13@N6 | 257.45 3.165 ( 0.20) 84.83 (43.25) | 32 :1@O3' | solvent acceptor | 257.33 3.133 ( 0.24) 87.36 (40.36) | 338 :11@N7 | solvent acceptor | 253.86 3.091 ( 0.24) 84.98 (44.85) | 195 :6@O3' | solvent acceptor | 250.00 3.119 ( 0.24) 86.34 (40.22) | 450 :14@O3' | solvent acceptor | 243.90 3.133 ( 0.24) 84.18 (40.33) | 188 :6@O2 | solvent acceptor | 243.57 2.930 ( 0.25) 78.85 (45.95) | 244 :8@O6 | solvent acceptor | 242.62 3.034 ( 0.26) 85.89 (44.70) | 379 :12@O2 | solvent acceptor | 240.43 2.882 ( 0.24) 73.40 (45.11) | 386 :12@O3' | solvent acceptor | 239.33 3.121 ( 0.24) 82.20 (40.34) | 24 :1@N3 | solvent acceptor | 237.67 3.113 ( 0.23) 85.93 (45.49) | 214 :7@O4 | solvent acceptor | 236.10 2.984 ( 0.27) 84.21 (46.07) | 508 :16@O2 | solvent acceptor | 235.33 2.921 ( 0.25) 76.57 (44.69) | 476 :15@N3 | solvent acceptor | 232.00 3.096 ( 0.23) 83.95 (44.11) | 90 :3@O2 | solvent acceptor | 230.76 2.930 ( 0.25) 77.66 (44.71) | 356 :11@O3' | solvent acceptor | 220.71 3.122 ( 0.24) 86.28 (40.08) | 305 :10@N7 | solvent acceptor | 218.95 3.060 ( 0.25) 85.38 (46.74) | 419 :13@O3' | solvent acceptor | 218.29 3.158 ( 0.23) 90.51 (39.22) | solvent donor | 23 :1@H22 21 :1@N2 | 213.88 3.171 ( 0.21) 65.03 (37.17) | 460 :15@O4' | solvent acceptor | 210.57 3.191 ( 0.21) 95.92 (38.15) | 429 :14@O4' | solvent acceptor | 200.48 3.188 ( 0.22) 96.98 (38.07) | 156 :5@N3 | solvent acceptor | 198.14 2.954 ( 0.20) 71.80 (46.04) | 525 :17@O4' | solvent acceptor | 193.29 3.160 ( 0.23) 96.16 (37.89) | 218 :7@O2 | solvent acceptor | 188.95 2.913 ( 0.25) 76.69 (45.84) | 42 :2@O4' | solvent acceptor | 185.52 3.179 ( 0.22) 95.52 (37.47) | 58 :2@N3 | solvent acceptor | 183.90 3.060 ( 0.23) 80.31 (45.45) | 423 :14@O5' | solvent acceptor | 183.52 3.194 ( 0.21) 83.47 (38.61) | solvent donor | 152 :5@H62 150 :5@N6 | 180.12 3.172 ( 0.20) 61.87 (37.54) | 241 :8@N7 | solvent acceptor | 177.14 3.055 ( 0.23) 81.77 (46.19) | 76 :3@O4' | solvent acceptor | 175.52 3.176 ( 0.21) 94.99 (37.15) | 174 :6@O4' | solvent acceptor | 175.38 3.190 ( 0.21) 97.73 (35.58) | 205 :7@O4' | solvent acceptor | 170.62 3.181 ( 0.21) 98.42 (36.08) | 494 :16@O4' | solvent acceptor | 168.95 3.176 ( 0.22) 96.12 (37.54) | 141 :5@O4' | solvent acceptor | 168.05 3.189 ( 0.21) 96.28 (36.76) | 348 :11@N3 | solvent acceptor | 167.33 3.060 ( 0.23) 81.92 (45.20) | 123 :4@N3 | solvent acceptor | 164.33 3.063 ( 0.22) 80.43 (43.11) | solvent donor | 57 :2@H22 55 :2@N2 | 162.48 3.151 ( 0.21) 49.76 (28.24) | 107 :4@O4' | solvent acceptor | 158.62 3.169 ( 0.21) 93.93 (36.51) | 70 :3@O5' | solvent acceptor | 157.52 3.210 ( 0.20) 79.10 (36.47) | solvent donor | 475 :15@H22 473 :15@N2 | 156.83 3.131 ( 0.22) 47.80 (28.91) | 488 :16@O5' | solvent acceptor | 154.67 3.221 ( 0.20) 78.11 (36.83) | 366 :12@O4' | solvent acceptor | 152.67 3.183 ( 0.21) 96.21 (35.74) | 135 :5@O5' | solvent acceptor | 147.52 3.225 ( 0.19) 75.82 (32.94) | 168 :6@O5' | solvent acceptor | 147.33 3.221 ( 0.19) 78.28 (35.52) | 101 :4@O5' | solvent acceptor | 146.81 3.196 ( 0.21) 77.56 (35.32) | solvent donor | 122 :4@H22 120 :4@N2 | 145.05 3.126 ( 0.21) 49.94 (33.94) | 227 :8@O1P | solvent acceptor | 140.67 2.913 ( 0.28) 73.97 (47.81) | 519 :17@O5' | solvent acceptor | 139.62 3.245 ( 0.18) 88.54 (39.11) | 36 :2@O5' | solvent acceptor | 139.00 3.232 ( 0.19) 77.52 (33.57) | 360 :12@O5' | solvent acceptor | 137.76 3.234 ( 0.18) 85.67 (37.17) | 322 :10@O3' | solvent acceptor | 133.62 3.137 ( 0.23) 86.24 (39.96) | solvent donor | 261 :9@H5T 262 :9@O5' | 131.93 3.007 ( 0.26) 85.55 (48.79) | solvent donor | 347 :11@H22 345 :11@N2 | 130.24 3.117 ( 0.21) 45.04 (26.98) | 326 :11@O5' | solvent acceptor | 124.71 3.220 ( 0.19) 80.99 (37.04) | 454 :15@O5' | solvent acceptor | 122.86 3.250 ( 0.18) 78.57 (33.00) | 259 :8@O3' | solvent acceptor | 107.52 3.020 ( 0.26) 103.51 (41.47) | 199 :7@O5' | solvent acceptor | 106.05 3.224 ( 0.18) 78.05 (31.87) | 282 :9@O2 | solvent acceptor | 104.43 3.007 ( 0.27) 84.04 (45.66) | solvent donor | 310 :10@H62 308 :10@N6 | 101.02 3.159 ( 0.20) 53.07 (26.34) | 332 :11@O4' | solvent acceptor | 95.67 3.183 ( 0.21) 96.10 (34.30) | 293 :10@O5' | solvent acceptor | 94.71 3.243 ( 0.18) 82.67 (34.10) | 314 :10@N3 | solvent acceptor | 90.62 3.009 ( 0.23) 76.30 (47.48) | 225 :7@O3' | solvent acceptor | 89.81 3.129 ( 0.23) 88.99 (40.17) | 268 :9@O4' | solvent acceptor | 89.19 3.160 ( 0.22) 96.59 (39.58) | 235 :8@O4' | solvent acceptor | 85.43 3.164 ( 0.22) 95.15 (37.68) | 289 :9@O3' | solvent acceptor | 78.57 3.154 ( 0.24) 87.50 (40.24) | 251 :8@N3 | solvent acceptor | 77.10 3.125 ( 0.23) 85.23 (44.44) | 390 :13@O5' | solvent acceptor | 73.95 3.198 ( 0.23) 83.20 (37.06) | solvent donor | 250 :8@H22 248 :8@N2 | 60.10 3.170 ( 0.21) 62.56 (36.37) | 299 :10@O4' | solvent acceptor | 59.57 3.156 ( 0.22) 93.07 (38.22) | solvent donor | 260 :8@H3T 259 :8@O3' | 53.76 3.020 ( 0.26) 83.28 (47.68) | 229 :8@O5' | solvent acceptor | 30.05 3.246 ( 0.17) 87.92 (38.90)