| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 46.4 | Very low | 72.1 | Confident | 176 Ų | 176 | 111.4 Ų | 111.4 | 87% | 0.867 | 50% | 0.503 | S | S | * | . | 0 | 124.4 | 0 | -66.6 | -177.3 | -164 | 0 | 0 | 108.8 | F3 | M1-F3 PolarHBondContact O-N 3.21Š| |||
| 2 | P | 48.5 | Very low | 73.8 | Confident | 102 Ų | 102 | 105.2 Ų | 105.2 | 66% | 0.662 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -26.6 | -177.3 | 24 | -32.1 | 0 | 0 | 0 | 113.5 | F4 R5 | P2-F4 PolarHBondContact O-N 2.92Å; P2-R5 PolarHBondContact O-N 3.47Å |
| 3 | F | 56.4 | Low | 75.4 | Confident | 93 Ų | 93 | 106.7 Ų | 106.7 | 41% | 0.408 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.8 | -33.2 | -174.7 | -60.4 | -74.1 | 0 | 0 | 0 | 114.6 | M1 R5 F6 M712 L713 | M1-F3 PolarHBondContact O-N 3.21Å; F3-R5 PolarHBondContact O-N 3.42Å; F3-R5 VanDerWaalsContact O-N 3.08Å; F3-F6 PolarHBondContact O-N 3.48Å; F3-F6 VanDerWaalsContact O-N 3.08Å; F3-M712 WeakPolarHBondContact CD1-O 3.49Å; F3-L713 HydrophobicContact CE1-CD2 4.39Å |
| 4 | F | 56.4 | Low | 76.8 | Confident | 149 Ų | 149 | 100.1 Ų | 100.1 | 65% | 0.654 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.7 | -22.9 | 178.2 | -138.8 | -82.7 | 0 | 0 | 0 | 113.2 | P2 | P2-F4 PolarHBondContact O-N 2.92Å |
| 5 | R | 69.6 | Low | 78 | Confident | 193 Ų | 193 | 95.3 Ų | 95.3 | 73% | 0.728 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -78.7 | -28.1 | 179.1 | -67.7 | -173.1 | 173.6 | -176.4 | -1.7 | 112.4 | P2 F3 Y8 I9 | P2-R5 PolarHBondContact O-N 3.47Å; F3-R5 PolarHBondContact O-N 3.42Å; F3-R5 VanDerWaalsContact O-N 3.08Å; R5-Y8 PolarHBondContact O-N 3.35Å; R5-I9 HydrophobicContact CB-CD1 4.22Å; R5-I9 WeakPolarHBondContact O-CB 3.46Å; R5-I9 VanDerWaalsContact O-CD1 3.31Å; R5-I9 WeakPolarHBondContact O-CD1 3.5Å; R5-I9 WeakPolarHBondContact O-CG1 3.24Å; R5-I9 PolarHBondContact O-N 3.19Å |
| 6 | F | 81.9 | Confident | 79 | Confident | 80 Ų | 80 | 95.7 Ų | 95.7 | 35% | 0.351 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.4 | -51.1 | -172.8 | -174 | -106.9 | 0 | 0 | 0 | 111.7 | F3 Y8 I9 V10 L713 F714 | F3-F6 PolarHBondContact O-N 3.48Å; F3-F6 VanDerWaalsContact O-N 3.08Å; F6-Y8 VanDerWaalsContact C-N 3.27Å; F6-Y8 PolarHBondContact O-N 3.37Å; F6-I9 PolarHBondContact O-N 3.29Å; F6-I9 VanDerWaalsContact O-N 3.12Å; F6-V10 HydrophobicContact CD1-CG2 4.03Å; F6-V10 HydrophobicContact CD2-CG2 4.43Å; F6-V10 HydrophobicContact CE1-CG2 3.68Å; F6-V10 HydrophobicContact CE2-CG2 4.11Å; F6-V10 HydrophobicContact CG-CG2 4.4Å; F6-V10 HydrophobicContact CZ-CG2 3.72Å; F6-V10 VanDerWaalsContact O-CG2 3.28Å; F6-V10 WeakPolarHBondContact O-CG2 3.44Å; F6-V10 PolarHBondContact O-N 3.43Å; F6-L713 HydrophobicContact CD1-CB 4.33Å; F6-L713 HydrophobicContact CE1-CB 4.45Å; F6-F714 HydrophobicContact CD1-CD1 4.28Å; F6-F714 HydrophobicContact CD1-CE1 4.14Å; F6-F714 HydrophobicContact CD1-CZ 4.44Å; F6-F714 HydrophobicContact CE1-CD1 4.31Å; F6-F714 AromaticContact CE1-CE1 3.74Å; F6-F714 HydrophobicContact CE1-CE1 3.74Å; F6-F714 HydrophobicContact CE1-CE2 4.22Å; F6-F714 AromaticContact CE1-CZ 3.7Å; F6-F714 HydrophobicContact CE1-CZ 3.7Å |
| 7 | Q | 80.5 | Confident | 80 | Confident | 44 Ų | 44 | 92.8 Ų | 92.8 | 21% | 0.206 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -56.2 | -41.8 | 176.7 | -171.2 | -173.5 | 1.3 | 0 | 0 | 112.3 | V10 R11 V380 Y770 | Q7-V10 PolarHBondContact O-N 2.81Å; Q7-R11 VanDerWaalsContact O-CB 3.31Å; Q7-R11 WeakPolarHBondContact O-CB 3.47Å; Q7-R11 PolarHBondContact O-N 3.21Å; Q7-V380 HydrophobicContact CG-CG1 3.79Å; Q7-V380 HydrophobicContact CG-CG2 4.28Å; Q7-Y770 PolarHBondContact NE2-OH 3.1Å |
| 8 | Y | 84.7 | Confident | 80.8 | Confident | 167 Ų | 167 | 87.6 Ų | 87.6 | 66% | 0.655 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66.4 | -41.2 | 178.5 | -173.9 | -92.5 | 0 | 0 | 0 | 112 | R5 F6 R11 A12 | R5-Y8 PolarHBondContact O-N 3.35Å; F6-Y8 VanDerWaalsContact C-N 3.27Å; F6-Y8 PolarHBondContact O-N 3.37Å; Y8-R11 PolarHBondContact O-N 3.41Å; Y8-A12 VanDerWaalsContact O-CB 3.3Å; Y8-A12 WeakPolarHBondContact O-CB 3.44Å; Y8-A12 PolarHBondContact O-N 2.92Å |
| 9 | I | 89 | Confident | 81.5 | Confident | 106 Ų | 106 | 88.7 Ų | 88.7 | 54% | 0.544 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.4 | -47 | 175.7 | -69 | 161.3 | 0 | 0 | 0 | 110.4 | R5 F6 A12 F13 | R5-I9 HydrophobicContact CB-CD1 4.22Å; R5-I9 WeakPolarHBondContact O-CB 3.46Å; R5-I9 VanDerWaalsContact O-CD1 3.31Å; R5-I9 WeakPolarHBondContact O-CD1 3.5Å; R5-I9 WeakPolarHBondContact O-CG1 3.24Å; R5-I9 PolarHBondContact O-N 3.19Å; F6-I9 PolarHBondContact O-N 3.29Å; F6-I9 VanDerWaalsContact O-N 3.12Å; I9-A12 PolarHBondContact O-N 3.03Å; I9-F13 WeakPolarHBondContact O-CB 3.41Å; I9-F13 PolarHBondContact O-N 3.45Å |
| 10 | V | 88.7 | Confident | 82.2 | Confident | 13 Ų | 13 | 89.8 Ų | 89.8 | 8% | 0.079 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59.4 | -49.4 | 177.7 | 173 | 0 | 0 | 0 | 0 | 110.2 | F6 Q7 A12 F13 F14 V380 L383 | F6-V10 HydrophobicContact CD1-CG2 4.03Å; F6-V10 HydrophobicContact CD2-CG2 4.43Å; F6-V10 HydrophobicContact CE1-CG2 3.68Å; F6-V10 HydrophobicContact CE2-CG2 4.11Å; F6-V10 HydrophobicContact CG-CG2 4.4Å; F6-V10 HydrophobicContact CZ-CG2 3.72Å; F6-V10 VanDerWaalsContact O-CG2 3.28Å; F6-V10 WeakPolarHBondContact O-CG2 3.44Å; F6-V10 PolarHBondContact O-N 3.43Å; Q7-V10 PolarHBondContact O-N 2.81Å; V10-A12 PolarHBondContact O-N 3.13Å; V10-F13 PolarHBondContact O-N 2.75Å; V10-F14 HydrophobicContact CG1-CD2 3.69Å; V10-F14 HydrophobicContact CG1-CE2 3.75Å; V10-F14 WeakPolarHBondContact O-CD2 3.5Å; V10-F14 PolarHBondContact O-N 2.8Å; V10-V380 HydrophobicContact CG1-CG2 4.02Å; V10-L383 HydrophobicContact CG1-CD2 3.82Å |
| 11 | R | 91.2 | Very high | 82.9 | Confident | 102 Ų | 102 | 85.5 Ų | 85.5 | 39% | 0.385 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.3 | -46.6 | 176.7 | 177.4 | 171.2 | -174.2 | -144.5 | -1.6 | 112 | Q7 Y8 F14 C15 G376 N377 V380 | Q7-R11 VanDerWaalsContact O-CB 3.31Å; Q7-R11 WeakPolarHBondContact O-CB 3.47Å; Q7-R11 PolarHBondContact O-N 3.21Å; Y8-R11 PolarHBondContact O-N 3.41Å; R11-F14 PolarHBondContact O-N 3.38Å; R11-C15 WeakPolarHBondContact O-CB 3.28Å; R11-C15 PolarHBondContact O-N 2.6Å; R11-C15 PolarHBondContact O-SG 3.16Å; R11-G376 WeakPolarHBondContact CG-O 3.48Å; R11-N377 PolarHBondContact NE-OD1 3.24Å; R11-N377 PolarHBondContact NH2-OD1 3.18Å; R11-V380 HydrophobicContact CB-CG2 4.09Å |
| 12 | A | 92.6 | Very high | 85.1 | Confident | 37 Ų | 37 | 77.1 Ų | 77.1 | 31% | 0.306 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y8 I9 V10 F14 C15 D16 | Y8-A12 VanDerWaalsContact O-CB 3.3Å; Y8-A12 WeakPolarHBondContact O-CB 3.44Å; Y8-A12 PolarHBondContact O-N 2.92Å; I9-A12 PolarHBondContact O-N 3.03Å; V10-A12 PolarHBondContact O-N 3.13Å; A12-F14 PolarHBondContact O-N 2.8Å; A12-C15 WeakPolarHBondContact O-CB 3.49Å; A12-C15 PolarHBondContact O-N 2.96Å; A12-D16 PolarHBondContact O-N 3.39Å |
| 13 | F | 94.6 | Very high | 87.3 | Confident | 125 Ų | 125 | 74.8 Ų | 74.8 | 55% | 0.548 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.2 | -47.6 | 175.6 | 174.9 | -96.1 | 0 | 0 | 0 | 111.9 | I9 V10 D16 L17 | I9-F13 WeakPolarHBondContact O-CB 3.41Å; I9-F13 PolarHBondContact O-N 3.45Å; V10-F13 PolarHBondContact O-N 2.75Å; F13-D16 PolarHBondContact O-N 2.7Å; F13-L17 HydrophobicContact CE1-CD2 4.2Å; F13-L17 WeakPolarHBondContact O-CB 3.39Å; F13-L17 PolarHBondContact O-N 3.07Å |
| 14 | F | 94.7 | Very high | 89.1 | Confident | 15 Ų | 15 | 76.4 Ų | 76.4 | 7% | 0.066 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -71.7 | -28.9 | 179.8 | -79.4 | -65.3 | 0 | 0 | 0 | 113.5 | V10 R11 A12 L17 G18 V375 A379 L383 F419 M423 | V10-F14 HydrophobicContact CG1-CD2 3.69Å; V10-F14 HydrophobicContact CG1-CE2 3.75Å; V10-F14 WeakPolarHBondContact O-CD2 3.5Å; V10-F14 PolarHBondContact O-N 2.8Å; R11-F14 PolarHBondContact O-N 3.38Å; A12-F14 PolarHBondContact O-N 2.8Å; F14-L17 HydrophobicContact CD1-CD2 3.96Å; F14-L17 HydrophobicContact CE1-CD2 4.05Å; F14-G18 PolarHBondContact O-N 2.85Å; F14-V375 HydrophobicContact CB-CG1 4.22Å; F14-V375 HydrophobicContact CD1-CG1 4.47Å; F14-A379 HydrophobicContact CB-CB 3.63Å; F14-A379 HydrophobicContact CD1-CB 3.68Å; F14-A379 HydrophobicContact CD2-CB 3.53Å; F14-A379 HydrophobicContact CE1-CB 4.26Å; F14-A379 HydrophobicContact CE2-CB 4.12Å; F14-A379 HydrophobicContact CG-CB 3.31Å; F14-A379 HydrophobicContact CZ-CB 4.47Å; F14-L383 HydrophobicContact CE2-CD2 4.36Å; F14-F419 HydrophobicContact CE1-CZ 4.4Å; F14-F419 AromaticContact CZ-CZ 3.8Å; F14-F419 HydrophobicContact CZ-CZ 3.8Å; F14-M423 HydrophobicContact CD1-SD 3.98Å; F14-M423 HydrophobicContact CE1-CB 4.25Å; F14-M423 HydrophobicContact CE1-CG 3.85Å; F14-M423 HydrophobicContact CE1-SD 3.87Å |
| 15 | C | 94.7 | Very high | 90.8 | Very high | 28 Ų | 28 | 69.6 Ų | 69.6 | 19% | 0.189 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.3 | -50.3 | 168.7 | -77.3 | 0 | 0 | 0 | 0 | 111.2 | R11 A12 G18 R19 A372 | R11-C15 WeakPolarHBondContact O-CB 3.28Å; R11-C15 PolarHBondContact O-N 2.6Å; R11-C15 PolarHBondContact O-SG 3.16Å; A12-C15 WeakPolarHBondContact O-CB 3.49Å; A12-C15 PolarHBondContact O-N 2.96Å; C15-G18 PolarHBondContact O-N 2.99Å; C15-R19 PolarHBondContact O-N 3.24Å; C15-A372 VanDerWaalsContact O-CB 3.31Å; C15-A372 WeakPolarHBondContact O-CB 3.49Å; C15-A372 PolarHBondContact SG-O 2.86Å |
| 16 | D | 94.9 | Very high | 92 | Very high | 101 Ų | 101 | 64.6 Ų | 64.6 | 54% | 0.54 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | -179.3 | -73.3 | -21.9 | 0 | 0 | 0 | 111.5 | A12 F13 R19 F20 | A12-D16 PolarHBondContact O-N 3.39Å; F13-D16 PolarHBondContact O-N 2.7Å; D16-R19 PolarHBondContact O-N 2.81Å; D16-F20 WeakPolarHBondContact O-CB 3.33Å; D16-F20 PolarHBondContact O-N 2.73Å |
| 17 | L | 94.8 | Very high | 92.6 | Very high | 46 Ų | 46 | 64.5 Ų | 64.5 | 24% | 0.241 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 173.5 | -177.7 | 63.4 | 0 | 0 | 0 | 111.5 | F13 F14 R19 F20 I21 | F13-L17 HydrophobicContact CE1-CD2 4.2Å; F13-L17 WeakPolarHBondContact O-CB 3.39Å; F13-L17 PolarHBondContact O-N 3.07Å; F14-L17 HydrophobicContact CD1-CD2 3.96Å; F14-L17 HydrophobicContact CE1-CD2 4.05Å; L17-R19 VanDerWaalsContact C-N 3.35Å; L17-R19 PolarHBondContact O-N 2.98Å; L17-F20 PolarHBondContact O-N 3.04Å; L17-I21 HydrophobicContact CD1-CD1 3.95Å; L17-I21 HydrophobicContact CD1-CG1 4.26Å; L17-I21 HydrophobicContact CD2-CD1 4.43Å; L17-I21 HydrophobicContact CG-CD1 3.77Å; L17-I21 HydrophobicContact CG-CG1 4.45Å; L17-I21 VanDerWaalsContact O-CG1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 3.48Å; L17-I21 PolarHBondContact O-N 2.82Å |
| 18 | G | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F14 C15 A22 | F14-G18 PolarHBondContact O-N 2.85Å; C15-G18 PolarHBondContact O-N 2.99Å; G18-A22 VanDerWaalsContact O-CB 3.26Å; G18-A22 WeakPolarHBondContact O-CB 3.14Å; G18-A22 PolarHBondContact O-N 3.43Å |
| 19 | R | 95.1 | Very high | 93.7 | Very high | 108 Ų | 108 | 58.3 Ų | 58.3 | 41% | 0.408 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 175 | -170.3 | 177.2 | -81.3 | 139.6 | -8.1 | 111.8 | C15 D16 L17 A22 S23 E368 D369 A372 | C15-R19 PolarHBondContact O-N 3.24Å; D16-R19 PolarHBondContact O-N 2.81Å; L17-R19 VanDerWaalsContact C-N 3.35Å; L17-R19 PolarHBondContact O-N 2.98Å; R19-A22 PolarHBondContact O-N 3.46Å; R19-S23 PolarHBondContact O-N 3.09Å; R19-S23 PolarHBondContact O-OG 3.35Å; R19-E368 HydrophobicContact CG-CB 4.44Å; R19-D369 IonicContact CZ-OD1 3.23Å; R19-D369 IonicContact NE-OD1 3.25Å; R19-D369 PolarHBondContact NE-OD1 2.92Å; R19-D369 IonicContact NH2-OD1 3.69Å; R19-D369 PolarHBondContact NH2-OD1 2.85Å; R19-A372 HydrophobicContact CB-CB 4.01Å |
| 20 | F | 95.5 | Very high | 93.9 | Very high | 110 Ų | 110 | 58.7 Ų | 58.7 | 48% | 0.482 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64 | -48.6 | 178.2 | -178.4 | -108 | 0 | 0 | 0 | 111.9 | D16 L17 A22 S23 F24 F28 | D16-F20 WeakPolarHBondContact O-CB 3.33Å; D16-F20 PolarHBondContact O-N 2.73Å; L17-F20 PolarHBondContact O-N 3.04Å; F20-A22 VanDerWaalsContact C-N 3.34Å; F20-A22 PolarHBondContact O-N 2.94Å; F20-S23 WeakPolarHBondContact O-CB 3.4Å; F20-S23 PolarHBondContact O-N 3.2Å; F20-F24 HydrophobicContact CD2-CD2 4.46Å; F20-F24 HydrophobicContact CE2-CD2 4.15Å; F20-F24 HydrophobicContact CE2-CE2 4.45Å; F20-F24 PolarHBondContact O-N 3.47Å; F20-F24 VanDerWaalsContact O-N 3.14Å; F20-F28 AromaticContact CD1-CE2 3.93Å; F20-F28 HydrophobicContact CD1-CE2 3.93Å; F20-F28 AromaticContact CD1-CZ 3.85Å; F20-F28 HydrophobicContact CD1-CZ 3.85Å; F20-F28 AromaticContact CE1-CE2 3.78Å; F20-F28 HydrophobicContact CE1-CE2 3.78Å; F20-F28 AromaticContact CE1-CZ 3.68Å; F20-F28 HydrophobicContact CE1-CZ 3.68Å |
| 21 | I | 95.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 177.4 | -66.6 | 167.5 | 0 | 0 | 0 | 110.7 | L17 S23 F24 P25 F28 M423 T427 A428 | L17-I21 HydrophobicContact CD1-CD1 3.95Å; L17-I21 HydrophobicContact CD1-CG1 4.26Å; L17-I21 HydrophobicContact CD2-CD1 4.43Å; L17-I21 HydrophobicContact CG-CD1 3.77Å; L17-I21 HydrophobicContact CG-CG1 4.45Å; L17-I21 VanDerWaalsContact O-CG1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 3.48Å; L17-I21 PolarHBondContact O-N 2.82Å; I21-S23 VanDerWaalsContact C-N 3.25Å; I21-S23 PolarHBondContact O-N 2.82Å; I21-F24 CarbonylContact O-C 3.57Å; I21-F24 PolarHBondContact O-N 2.94Å; I21-P25 VanDerWaalsContact O-CA 3.26Å; I21-P25 WeakPolarHBondContact O-CA 3.16Å; I21-P25 VanDerWaalsContact O-N 3.08Å; I21-F28 HydrophobicContact CB-CD2 4.24Å; I21-F28 HydrophobicContact CB-CE2 4.37Å; I21-F28 HydrophobicContact CD1-CD1 4.5Å; I21-F28 HydrophobicContact CD1-CE1 4.45Å; I21-F28 HydrophobicContact CG1-CD1 4.12Å; I21-F28 HydrophobicContact CG1-CD2 3.9Å; I21-F28 HydrophobicContact CG1-CE1 3.98Å; I21-F28 HydrophobicContact CG1-CE2 3.76Å; I21-F28 HydrophobicContact CG1-CG 4.08Å; I21-F28 HydrophobicContact CG1-CZ 3.79Å; I21-F28 HydrophobicContact CG2-CB 4.28Å; I21-F28 HydrophobicContact CG2-CD2 4.09Å; I21-F28 HydrophobicContact CG2-CG 4.19Å; I21-M423 WeakPolarHBondContact CD1-O 3.48Å; I21-T427 HydrophobicContact CB-CG2 4.29Å; I21-T427 HydrophobicContact CD1-CG2 4.14Å; I21-T427 HydrophobicContact CG2-CG2 3.99Å; I21-A428 HydrophobicContact CG2-CB 3.7Å |
| 22 | A | 94 | Very high | 94.2 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.4 | -34.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G18 R19 F20 P25 E368 T371 A431 R435 | G18-A22 VanDerWaalsContact O-CB 3.26Å; G18-A22 WeakPolarHBondContact O-CB 3.14Å; G18-A22 PolarHBondContact O-N 3.43Å; R19-A22 PolarHBondContact O-N 3.46Å; F20-A22 VanDerWaalsContact C-N 3.34Å; F20-A22 PolarHBondContact O-N 2.94Å; A22-P25 WeakPolarHBondContact O-CD 3.41Å; A22-E368 HydrophobicContact CB-CB 4.3Å; A22-E368 HydrophobicContact CB-CG 4.1Å; A22-T371 HydrophobicContact CB-CG2 4.03Å; A22-A431 HydrophobicContact CB-CB 3.91Å; A22-R435 PolarHBondContact O-NH2 2.84Å |
| 23 | S | 93.8 | Very high | 94.3 | Very high | 52 Ų | 52 | 59.7 Ų | 59.7 | 36% | 0.364 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.2 | -41.1 | 176.9 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | R19 F20 I21 | R19-S23 PolarHBondContact O-N 3.09Å; R19-S23 PolarHBondContact O-OG 3.35Å; F20-S23 WeakPolarHBondContact O-CB 3.4Å; F20-S23 PolarHBondContact O-N 3.2Å; I21-S23 VanDerWaalsContact C-N 3.25Å; I21-S23 PolarHBondContact O-N 2.82Å |
| 24 | F | 94.2 | Very high | 94.3 | Very high | 127 Ų | 127 | 56.6 Ų | 56.6 | 56% | 0.557 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -127.5 | 69.6 | -178 | -57.6 | -78.2 | 0 | 0 | 0 | 112.5 | F20 I21 V26 P27 F28 | F20-F24 HydrophobicContact CD2-CD2 4.46Å; F20-F24 HydrophobicContact CE2-CD2 4.15Å; F20-F24 HydrophobicContact CE2-CE2 4.45Å; F20-F24 PolarHBondContact O-N 3.47Å; F20-F24 VanDerWaalsContact O-N 3.14Å; I21-F24 CarbonylContact O-C 3.57Å; I21-F24 PolarHBondContact O-N 2.94Å; F24-V26 PolarHBondContact O-N 3.27Å; F24-P27 WeakPolarHBondContact O-CD 3.44Å; F24-F28 WeakPolarHBondContact O-CD2 3.31Å |
| 25 | P | 92.9 | Very high | 94.3 | Very high | 6 Ų | 6 | 59.6 Ų | 59.6 | 4% | 0.039 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -73.7 | -27.5 | -171 | 26.5 | -34.3 | 0 | 0 | 0 | 113.8 | I21 A22 F28 V29 A428 L432 | I21-P25 VanDerWaalsContact O-CA 3.26Å; I21-P25 WeakPolarHBondContact O-CA 3.16Å; I21-P25 VanDerWaalsContact O-N 3.08Å; A22-P25 WeakPolarHBondContact O-CD 3.41Å; P25-F28 PolarHBondContact O-N 3.31Å; P25-V29 PolarHBondContact O-N 3.48Å; P25-A428 HydrophobicContact CB-CB 4.14Å; P25-L432 HydrophobicContact CB-CD1 4.31Å; P25-L432 HydrophobicContact CB-CD2 4.09Å; P25-L432 HydrophobicContact CB-CG 3.93Å; P25-L432 HydrophobicContact CG-CD2 3.64Å; P25-L432 HydrophobicContact CG-CG 4.07Å |
| 26 | V | 93.6 | Very high | 94.4 | Very high | 88 Ų | 88 | 58.4 Ų | 58.4 | 53% | 0.533 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.5 | -48.2 | -171 | 177.6 | 0 | 0 | 0 | 0 | 113.3 | F24 F28 V29 L30 | F24-V26 PolarHBondContact O-N 3.27Å; V26-F28 VanDerWaalsContact C-N 3.3Å; V26-F28 PolarHBondContact O-N 2.88Å; V26-V29 PolarHBondContact O-N 3.49Å; V26-V29 VanDerWaalsContact O-N 3.12Å; V26-L30 HydrophobicContact CG1-CD1 3.81Å; V26-L30 HydrophobicContact CG1-CG 4.29Å; V26-L30 PolarHBondContact O-N 3.12Å |
| 27 | P | 94.1 | Very high | 94.4 | Very high | 78 Ų | 78 | 58.8 Ų | 58.8 | 51% | 0.506 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58 | -39.5 | 175.6 | -25.8 | 35.2 | 0 | 0 | 0 | 113.6 | F24 V29 L30 L31 | F24-P27 WeakPolarHBondContact O-CD 3.44Å; P27-V29 PolarHBondContact O-N 2.88Å; P27-L30 PolarHBondContact O-N 2.92Å; P27-L31 VanDerWaalsContact O-CB 3.28Å; P27-L31 WeakPolarHBondContact O-CB 3.3Å; P27-L31 PolarHBondContact O-N 3.01Å |
| 28 | F | 94.4 | Very high | 94.3 | Very high | 51 Ų | 51 | 59 Ų | 59 | 22% | 0.224 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.3 | -13.7 | 179.4 | -69.9 | -78.8 | 0 | 0 | 0 | 113.6 | F20 I21 F24 P25 V26 P32 F425 A428 | F20-F28 AromaticContact CD1-CE2 3.93Å; F20-F28 HydrophobicContact CD1-CE2 3.93Å; F20-F28 AromaticContact CD1-CZ 3.85Å; F20-F28 HydrophobicContact CD1-CZ 3.85Å; F20-F28 AromaticContact CE1-CE2 3.78Å; F20-F28 HydrophobicContact CE1-CE2 3.78Å; F20-F28 AromaticContact CE1-CZ 3.68Å; F20-F28 HydrophobicContact CE1-CZ 3.68Å; I21-F28 HydrophobicContact CB-CD2 4.24Å; I21-F28 HydrophobicContact CB-CE2 4.37Å; I21-F28 HydrophobicContact CD1-CD1 4.5Å; I21-F28 HydrophobicContact CD1-CE1 4.45Å; I21-F28 HydrophobicContact CG1-CD1 4.12Å; I21-F28 HydrophobicContact CG1-CD2 3.9Å; I21-F28 HydrophobicContact CG1-CE1 3.98Å; I21-F28 HydrophobicContact CG1-CE2 3.76Å; I21-F28 HydrophobicContact CG1-CG 4.08Å; I21-F28 HydrophobicContact CG1-CZ 3.79Å; I21-F28 HydrophobicContact CG2-CB 4.28Å; I21-F28 HydrophobicContact CG2-CD2 4.09Å; I21-F28 HydrophobicContact CG2-CG 4.19Å; F24-F28 WeakPolarHBondContact O-CD2 3.31Å; P25-F28 PolarHBondContact O-N 3.31Å; V26-F28 VanDerWaalsContact C-N 3.3Å; V26-F28 PolarHBondContact O-N 2.88Å; F28-P32 WeakPolarHBondContact O-CD 3.48Å; F28-P32 VanDerWaalsContact O-CG 3.26Å; F28-P32 WeakPolarHBondContact O-CG 3.36Å; F28-F425 WeakPolarHBondContact O-CA 3.29Å; F28-A428 HydrophobicContact CB-CB 3.76Å |
| 29 | V | 93.6 | Very high | 94.3 | Very high | 31 Ų | 31 | 59.5 Ų | 59.5 | 19% | 0.188 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -88 | -45.9 | 169.1 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | P25 V26 P27 V33 F425 A428 L429 L432 | P25-V29 PolarHBondContact O-N 3.48Å; V26-V29 PolarHBondContact O-N 3.49Å; V26-V29 VanDerWaalsContact O-N 3.12Å; P27-V29 PolarHBondContact O-N 2.88Å; V29-V33 VanDerWaalsContact O-CG2 3.26Å; V29-V33 WeakPolarHBondContact O-CG2 3.24Å; V29-F425 HydrophobicContact CG1-CE2 4.03Å; V29-A428 HydrophobicContact CG2-CB 3.84Å; V29-L429 HydrophobicContact CG1-CD2 4.45Å; V29-L429 HydrophobicContact CG2-CD2 3.95Å; V29-L429 HydrophobicContact CG2-CG 4.25Å; V29-L432 HydrophobicContact CG2-CD1 4.23Å |
| 30 | L | 94.3 | Very high | 94.2 | Very high | 113 Ų | 113 | 56 Ų | 56 | 59% | 0.592 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -73.9 | -40.4 | -173.5 | -66 | 177.3 | 0 | 0 | 0 | 113.4 | V26 P27 V33 A34 | V26-L30 HydrophobicContact CG1-CD1 3.81Å; V26-L30 HydrophobicContact CG1-CG 4.29Å; V26-L30 PolarHBondContact O-N 3.12Å; P27-L30 PolarHBondContact O-N 2.92Å; L30-V33 PolarHBondContact O-N 3.24Å; L30-A34 WeakPolarHBondContact O-CB 3.03Å; L30-A34 PolarHBondContact O-N 3.36Å |
| 31 | L | 93.7 | Very high | 94 | Very high | 125 Ų | 125 | 54 Ų | 54 | 65% | 0.654 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -67.9 | -46.5 | -174.2 | -179.8 | 132 | 0 | 0 | 0 | 112.9 | P27 V33 A34 L35 | P27-L31 VanDerWaalsContact O-CB 3.28Å; P27-L31 WeakPolarHBondContact O-CB 3.3Å; P27-L31 PolarHBondContact O-N 3.01Å; L31-V33 VanDerWaalsContact C-N 3.31Å; L31-V33 PolarHBondContact O-N 3.05Å; L31-A34 PolarHBondContact O-N 3.39Å; L31-L35 WeakPolarHBondContact O-CB 3.5Å; L31-L35 PolarHBondContact O-N 3.15Å |
| 32 | P | 93.2 | Very high | 93.7 | Very high | 6 Ų | 6 | 54 Ų | 54 | 4% | 0.039 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.3 | -35.7 | 174.9 | -27.3 | 39.2 | 0 | 0 | 0 | 113.3 | F28 L35 S36 Y421 F425 | F28-P32 WeakPolarHBondContact O-CD 3.48Å; F28-P32 VanDerWaalsContact O-CG 3.26Å; F28-P32 WeakPolarHBondContact O-CG 3.36Å; P32-L35 PolarHBondContact O-N 3.16Å; P32-S36 WeakPolarHBondContact O-CB 2.97Å; P32-S36 PolarHBondContact O-N 3.23Å; P32-S36 PolarHBondContact O-OG 3.14Å; P32-Y421 HydrophobicContact CB-CD2 4.31Å; P32-Y421 HydrophobicContact CB-CE1 4.36Å; P32-Y421 HydrophobicContact CB-CE2 3.84Å; P32-Y421 PolarHBondContact O-OH 3.34Å; P32-F425 HydrophobicContact CB-CB 4.06Å; P32-F425 HydrophobicContact CB-CD2 4.15Å; P32-F425 HydrophobicContact CB-CG 4.39Å; P32-F425 HydrophobicContact CG-CB 4.03Å; P32-F425 HydrophobicContact CG-CD2 4.41Å |
| 33 | V | 94.1 | Very high | 93.4 | Very high | 43 Ų | 43 | 55.5 Ų | 55.5 | 26% | 0.261 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.6 | -46.5 | 175.2 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | V29 L30 L31 L35 S36 I37 F316 F425 | V29-V33 VanDerWaalsContact O-CG2 3.26Å; V29-V33 WeakPolarHBondContact O-CG2 3.24Å; L30-V33 PolarHBondContact O-N 3.24Å; L31-V33 VanDerWaalsContact C-N 3.31Å; L31-V33 PolarHBondContact O-N 3.05Å; V33-L35 VanDerWaalsContact C-N 3.33Å; V33-L35 PolarHBondContact O-N 3.41Å; V33-S36 PolarHBondContact O-N 2.94Å; V33-I37 HydrophobicContact CG1-CD1 3.97Å; V33-I37 VanDerWaalsContact O-CG1 3.31Å; V33-I37 WeakPolarHBondContact O-CG1 3.25Å; V33-I37 PolarHBondContact O-N 2.96Å; V33-F316 HydrophobicContact CG2-CD2 4.45Å; V33-F316 HydrophobicContact CG2-CE2 3.87Å; V33-F425 HydrophobicContact CG2-CD2 4.44Å; V33-F425 HydrophobicContact CG2-CE2 3.68Å; V33-F425 HydrophobicContact CG2-CZ 4.3Å |
| 34 | A | 94.9 | Very high | 93.2 | Very high | 59 Ų | 59 | 62 Ų | 62 | 49% | 0.488 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L30 L31 I37 A38 | L30-A34 WeakPolarHBondContact O-CB 3.03Å; L30-A34 PolarHBondContact O-N 3.36Å; L31-A34 PolarHBondContact O-N 3.39Å; A34-I37 PolarHBondContact O-N 2.7Å; A34-A38 WeakPolarHBondContact O-CB 3.44Å; A34-A38 PolarHBondContact O-N 3.03Å |
| 35 | L | 94.9 | Very high | 93 | Very high | 79 Ų | 79 | 61 Ų | 61 | 41% | 0.414 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 175.6 | -178.8 | 63.2 | 0 | 0 | 0 | 111.2 | L31 P32 V33 I37 A38 C39 T320 Y421 | L31-L35 WeakPolarHBondContact O-CB 3.5Å; L31-L35 PolarHBondContact O-N 3.15Å; P32-L35 PolarHBondContact O-N 3.16Å; V33-L35 VanDerWaalsContact C-N 3.33Å; V33-L35 PolarHBondContact O-N 3.41Å; L35-I37 VanDerWaalsContact C-N 3.34Å; L35-I37 PolarHBondContact O-N 3.15Å; L35-A38 PolarHBondContact O-N 3.12Å; L35-C39 WeakPolarHBondContact O-CB 3.18Å; L35-C39 PolarHBondContact O-N 3.01Å; L35-C39 PolarHBondContact O-SG 2.96Å; L35-C39 VanDerWaalsContact O-SG 3.38Å; L35-T320 HydrophobicContact CD2-CG2 4.33Å; L35-T320 HydrophobicContact CG-CG2 4.21Å; L35-Y421 HydrophobicContact CD2-CE1 4.48Å |
| 36 | S | 95.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.014 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 178.5 | -63.3 | 0 | 0 | 0 | 0 | 112.8 | P32 V33 S40 F316 T320 Y421 | P32-S36 WeakPolarHBondContact O-CB 2.97Å; P32-S36 PolarHBondContact O-N 3.23Å; P32-S36 PolarHBondContact O-OG 3.14Å; V33-S36 PolarHBondContact O-N 2.94Å; S36-S40 VanDerWaalsContact O-CB 3.29Å; S36-S40 WeakPolarHBondContact O-CB 3.34Å; S36-S40 PolarHBondContact O-N 3.13Å; S36-S40 PolarHBondContact O-OG 2.85Å; S36-F316 WeakPolarHBondContact OG-CB 3.34Å; S36-F316 PolarHBondContact OG-O 3.33Å; S36-T320 WeakPolarHBondContact CA-OG1 3.04Å; S36-T320 WeakPolarHBondContact CB-OG1 3.36Å; S36-T320 PolarHBondContact OG-OG1 3.22Å; S36-Y421 VanDerWaalsContact OG-CE2 3.24Å; S36-Y421 WeakPolarHBondContact OG-CE2 3.24Å; S36-Y421 PolarHBondContact OG-OH 3.06Å |
| 37 | I | 94.8 | Very high | 92.2 | Very high | 110 Ų | 110 | 65.3 Ų | 65.3 | 56% | 0.564 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.6 | -48 | 173 | -66.9 | 166.3 | 0 | 0 | 0 | 110.1 | V33 A34 L35 C39 S40 V41 | V33-I37 HydrophobicContact CG1-CD1 3.97Å; V33-I37 VanDerWaalsContact O-CG1 3.31Å; V33-I37 WeakPolarHBondContact O-CG1 3.25Å; V33-I37 PolarHBondContact O-N 2.96Å; A34-I37 PolarHBondContact O-N 2.7Å; L35-I37 VanDerWaalsContact C-N 3.34Å; L35-I37 PolarHBondContact O-N 3.15Å; I37-C39 PolarHBondContact O-N 3.38Å; I37-S40 PolarHBondContact O-N 3.3Å; I37-V41 PolarHBondContact O-N 3.47Å |
| 38 | A | 94.6 | Very high | 91.4 | Very high | 51 Ų | 51 | 65.3 Ų | 65.3 | 42% | 0.421 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A34 L35 V41 Y327 | A34-A38 WeakPolarHBondContact O-CB 3.44Å; A34-A38 PolarHBondContact O-N 3.03Å; L35-A38 PolarHBondContact O-N 3.12Å; A38-V41 WeakPolarHBondContact O-CB 3.29Å; A38-V41 PolarHBondContact O-N 3.03Å; A38-Y327 WeakPolarHBondContact O-CE2 3.16Å; A38-Y327 PolarHBondContact O-OH 3.26Å |
| 39 | C | 94.4 | Very high | 90.5 | Very high | 10 Ų | 10 | 64.5 Ų | 64.5 | 7% | 0.068 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 174.8 | -71.1 | 0 | 0 | 0 | 0 | 112 | L35 I37 V41 G42 T320 G323 | L35-C39 WeakPolarHBondContact O-CB 3.18Å; L35-C39 PolarHBondContact O-N 3.01Å; L35-C39 PolarHBondContact O-SG 2.96Å; L35-C39 VanDerWaalsContact O-SG 3.38Å; I37-C39 PolarHBondContact O-N 3.38Å; C39-V41 PolarHBondContact O-N 2.74Å; C39-G42 WeakPolarHBondContact O-CA 3.35Å; C39-G42 PolarHBondContact O-N 2.95Å; C39-T320 HydrophobicContact CB-CG2 4.11Å; C39-G323 WeakPolarHBondContact O-CA 3.25Å |
| 40 | S | 92.1 | Very high | 89.5 | Confident | 35 Ų | 35 | 65.6 Ų | 65.6 | 25% | 0.245 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.4 | -27.6 | 177.9 | -60.2 | 0 | 0 | 0 | 0 | 112.9 | S36 I37 G42 I43 Y44 | S36-S40 VanDerWaalsContact O-CB 3.29Å; S36-S40 WeakPolarHBondContact O-CB 3.34Å; S36-S40 PolarHBondContact O-N 3.13Å; S36-S40 PolarHBondContact O-OG 2.85Å; I37-S40 PolarHBondContact O-N 3.3Å; S40-G42 PolarHBondContact O-N 3.49Å; S40-I43 WeakPolarHBondContact O-CB 3.47Å; S40-I43 PolarHBondContact O-N 2.82Å; S40-I43 VanDerWaalsContact O-N 3.15Å; S40-Y44 PolarHBondContact O-N 2.86Å |
| 41 | V | 92.2 | Very high | 88 | Confident | 67 Ų | 67 | 66.5 Ų | 66.5 | 41% | 0.406 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.8 | -31.6 | 171.8 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | I37 A38 C39 I43 Y44 L45 | I37-V41 PolarHBondContact O-N 3.47Å; A38-V41 WeakPolarHBondContact O-CB 3.29Å; A38-V41 PolarHBondContact O-N 3.03Å; C39-V41 PolarHBondContact O-N 2.74Å; V41-I43 VanDerWaalsContact C-N 3.29Å; V41-I43 PolarHBondContact O-N 2.73Å; V41-Y44 PolarHBondContact O-N 3.14Å; V41-Y44 VanDerWaalsContact O-N 3.16Å; V41-L45 HydrophobicContact CG1-CD1 3.76Å; V41-L45 HydrophobicContact CG1-CG 3.94Å; V41-L45 WeakPolarHBondContact O-CB 3.39Å; V41-L45 VanDerWaalsContact O-CG 3.31Å; V41-L45 WeakPolarHBondContact O-CG 3.35Å; V41-L45 PolarHBondContact O-N 3.12Å |
| 42 | G | 88.3 | Confident | 86.3 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.1 | -35.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | C39 S40 N46 Y327 | C39-G42 WeakPolarHBondContact O-CA 3.35Å; C39-G42 PolarHBondContact O-N 2.95Å; S40-G42 PolarHBondContact O-N 3.49Å; G42-N46 PolarHBondContact O-N 3.44Å; G42-N46 VanDerWaalsContact O-N 3.08Å; G42-N46 PolarHBondContact O-ND2 2.02Å; G42-N46 VanDerWaalsContact O-ND2 3.17Å; G42-Y327 VanDerWaalsContact CA-CE2 3.49Å; G42-Y327 VanDerWaalsContact CA-CZ 3.43Å; G42-Y327 PolarHBondContact N-OH 3.08Å |
| 43 | I | 89.2 | Confident | 84.5 | Confident | 33 Ų | 33 | 65.2 Ų | 65.2 | 17% | 0.169 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 174.6 | -52.9 | 178.5 | 0 | 0 | 0 | 110.4 | S40 V41 R47 M50 L319 T322 F326 | S40-I43 WeakPolarHBondContact O-CB 3.47Å; S40-I43 PolarHBondContact O-N 2.82Å; S40-I43 VanDerWaalsContact O-N 3.15Å; V41-I43 VanDerWaalsContact C-N 3.29Å; V41-I43 PolarHBondContact O-N 2.73Å; I43-R47 PolarHBondContact O-N 3.33Å; I43-M50 HydrophobicContact CG2-SD 4.26Å; I43-L319 HydrophobicContact CD1-CD2 4.2Å; I43-T322 HydrophobicContact CD1-CG2 4.02Å; I43-T322 HydrophobicContact CG1-CG2 4.3Å; I43-F326 HydrophobicContact CB-CD1 4.43Å; I43-F326 HydrophobicContact CG2-CD1 4.36Å; I43-F326 HydrophobicContact CG2-CE1 4.28Å |
| 44 | Y | 89.1 | Confident | 82.7 | Confident | 187 Ų | 187 | 66.9 Ų | 66.9 | 73% | 0.733 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67.6 | -41.9 | 178.3 | 179.8 | -98.7 | 0 | 0 | 0 | 112.4 | S40 V41 | S40-Y44 PolarHBondContact O-N 2.86Å; V41-Y44 PolarHBondContact O-N 3.14Å; V41-Y44 VanDerWaalsContact O-N 3.16Å |
| 45 | L | 89.7 | Confident | 80.5 | Confident | 107 Ų | 107 | 69.5 Ų | 69.5 | 56% | 0.56 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -69 | -36.1 | -178.6 | -72.4 | 174.9 | 0 | 0 | 0 | 113 | V41 Y327 | V41-L45 HydrophobicContact CG1-CD1 3.76Å; V41-L45 HydrophobicContact CG1-CG 3.94Å; V41-L45 WeakPolarHBondContact O-CB 3.39Å; V41-L45 VanDerWaalsContact O-CG 3.31Å; V41-L45 WeakPolarHBondContact O-CG 3.35Å; V41-L45 PolarHBondContact O-N 3.12Å; L45-Y327 HydrophobicContact CD1-CE1 4.07Å |
| 46 | N | 87.1 | Confident | 78.6 | Confident | 20 Ų | 20 | 69.6 Ų | 69.6 | 11% | 0.107 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 43.5 | -178.8 | -54.6 | -87.5 | 0 | 0 | 0 | 111.4 | G42 D48 L49 F326 R329 | G42-N46 PolarHBondContact O-N 3.44Å; G42-N46 VanDerWaalsContact O-N 3.08Å; G42-N46 PolarHBondContact O-ND2 2.02Å; G42-N46 VanDerWaalsContact O-ND2 3.17Å; N46-D48 WeakPolarHBondContact CA-OD1 3.49Å; N46-D48 PolarHBondContact O-N 3.12Å; N46-L49 HydrophobicContact CB-CD1 3.56Å; N46-L49 HydrophobicContact CB-CG 4.04Å; N46-L49 WeakPolarHBondContact O-CB 3.49Å; N46-L49 PolarHBondContact O-N 2.83Å; N46-L49 VanDerWaalsContact O-N 3.12Å; N46-F326 HydrophobicContact CB-CD1 4.28Å; N46-F326 PolarHBondContact ND2-O 2.96Å; N46-F326 WeakPolarHBondContact O-CD1 3.46Å; N46-R329 PolarHBondContact OD1-NH1 3.35Å |
| 47 | R | 82.8 | Confident | 76.8 | Confident | 165 Ų | 165 | 70.1 Ų | 70.1 | 62% | 0.623 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -63.8 | -25.5 | 177.7 | -176.3 | 177.9 | 175.2 | -175.1 | -1.7 | 112 | I43 L49 M50 E51 | I43-R47 PolarHBondContact O-N 3.33Å; R47-L49 PolarHBondContact O-N 2.64Å; R47-M50 WeakPolarHBondContact O-CB 3.34Å; R47-M50 PolarHBondContact O-N 3.14Å; R47-E51 PolarHBondContact O-N 2.98Å |
| 48 | D | 77.1 | Confident | 75.3 | Confident | 77 Ų | 77 | 65.1 Ų | 65.1 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -52.5 | -33.3 | 171 | 58.9 | -41.1 | 0 | 0 | 0 | 112.1 | N46 M50 E51 R329 | N46-D48 WeakPolarHBondContact CA-OD1 3.49Å; N46-D48 PolarHBondContact O-N 3.12Å; D48-M50 VanDerWaalsContact C-N 3.29Å; D48-M50 PolarHBondContact O-N 3.02Å; D48-E51 WeakPolarHBondContact O-CB 3.44Å; D48-E51 PolarHBondContact O-N 3.12Å; D48-E51 VanDerWaalsContact O-N 3.15Å; D48-E51 VanDerWaalsContact O-O 3.05Å; D48-R329 IonicContact OD2-CZ 2.83Å; D48-R329 IonicContact OD2-NH2 2.64Å; D48-R329 PolarHBondContact OD2-NH2 3.17Å |
| 49 | L | 76.4 | Confident | 74.1 | Confident | 34 Ų | 34 | 64.5 Ų | 64.5 | 18% | 0.178 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -68.1 | -26.8 | 177 | -61.5 | 171.4 | 0 | 0 | 0 | 113.2 | N46 R47 E51 F326 R329 Y332 | N46-L49 HydrophobicContact CB-CD1 3.56Å; N46-L49 HydrophobicContact CB-CG 4.04Å; N46-L49 WeakPolarHBondContact O-CB 3.49Å; N46-L49 PolarHBondContact O-N 2.83Å; N46-L49 VanDerWaalsContact O-N 3.12Å; R47-L49 PolarHBondContact O-N 2.64Å; L49-E51 VanDerWaalsContact C-N 3.33Å; L49-F326 HydrophobicContact CB-CE1 4.21Å; L49-F326 HydrophobicContact CD1-CD1 4.38Å; L49-R329 HydrophobicContact CD1-CB 4.35Å; L49-Y332 WeakPolarHBondContact O-CB 3.34Å |
| 50 | M | 71.6 | Confident | 73.2 | Confident | 55 Ų | 55 | 65.5 Ų | 65.5 | 27% | 0.271 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -77.5 | -24.2 | 173.8 | -73 | 179.2 | 71.3 | 0 | 0 | 112.3 | I43 R47 D48 T52 F326 Y332 M337 | I43-M50 HydrophobicContact CG2-SD 4.26Å; R47-M50 WeakPolarHBondContact O-CB 3.34Å; R47-M50 PolarHBondContact O-N 3.14Å; D48-M50 VanDerWaalsContact C-N 3.29Å; D48-M50 PolarHBondContact O-N 3.02Å; M50-T52 PolarHBondContact O-N 2.85Å; M50-F326 HydrophobicContact CG-CE1 3.59Å; M50-F326 HydrophobicContact CG-CZ 3.52Å; M50-F326 HydrophobicContact SD-CE1 4.18Å; M50-F326 HydrophobicContact SD-CZ 4.26Å; M50-Y332 HydrophobicContact CG-CD1 4.42Å; M50-Y332 HydrophobicContact CG-CE1 4.47Å; M50-M337 HydrophobicContact CE-CE 3.53Å |
| 51 | E | 63.6 | Low | 72.4 | Confident | 131 Ų | 131 | 64.3 Ų | 64.3 | 61% | 0.612 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -72.3 | 122.2 | 170.9 | -65.8 | -179.6 | -176.3 | 0 | 0 | 106.6 | R47 D48 L49 D53 | R47-E51 PolarHBondContact O-N 2.98Å; D48-E51 WeakPolarHBondContact O-CB 3.44Å; D48-E51 PolarHBondContact O-N 3.12Å; D48-E51 VanDerWaalsContact O-N 3.15Å; D48-E51 VanDerWaalsContact O-O 3.05Å; L49-E51 VanDerWaalsContact C-N 3.33Å; E51-D53 PolarHBondContact O-N 2.81Å |
| 52 | T | 56.6 | Low | 71.9 | Confident | 18 Ų | 18 | 61.4 Ų | 61.4 | 11% | 0.11 | 29% | 0.29 | C | S | . | . | trans | -59.3 | 115.1 | -172.7 | -47.6 | 0 | 0 | 0 | 0 | 108.3 | M50 Y54 M265 | M50-T52 PolarHBondContact O-N 2.85Å; T52-Y54 WeakPolarHBondContact O-CD2 3.46Å; T52-Y54 PolarHBondContact O-N 3.12Å; T52-M265 HydrophobicContact CG2-SD 4.41Å | ||
| 53 | D | 55.8 | Low | 71.6 | Confident | 87 Ų | 87 | 61.4 Ų | 61.4 | 47% | 0.465 | 29% | 0.29 | S | S | . | . | trans | -64.4 | 91.8 | 167.2 | 179.8 | 7.2 | 0 | 0 | 0 | 107.3 | E51 E55 N56 S57 | E51-D53 PolarHBondContact O-N 2.81Å; D53-E55 PolarHBondContact O-N 3.33Å; D53-E55 VanDerWaalsContact OD1-CB 3.26Å; D53-E55 WeakPolarHBondContact OD1-CB 3.35Å; D53-E55 PolarHBondContact OD1-N 3.12Å; D53-N56 PolarHBondContact O-N 3.49Å; D53-N56 PolarHBondContact OD2-ND2 3.2Å; D53-S57 VanDerWaalsContact O-CB 3.27Å; D53-S57 WeakPolarHBondContact O-CB 3.44Å; D53-S57 PolarHBondContact O-N 3.38Å; D53-S57 PolarHBondContact O-OG 3.46Å | ||
| 54 | Y | 56.5 | Low | 71 | Confident | 78 Ų | 78 | 64.9 Ų | 64.9 | 31% | 0.306 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -15.5 | -177.9 | -65.6 | -75 | 0 | 0 | 0 | 111.5 | T52 W261 L262 M265 E266 | T52-Y54 WeakPolarHBondContact O-CD2 3.46Å; T52-Y54 PolarHBondContact O-N 3.12Å; Y54-W261 VanDerWaalsContact O-CE2 3.25Å; Y54-W261 WeakPolarHBondContact O-CZ2 3.31Å; Y54-W261 PolarHBondContact O-NE1 2.84Å; Y54-L262 HydrophobicContact CD1-CD1 3.88Å; Y54-L262 HydrophobicContact CD2-CD1 4.4Å; Y54-L262 HydrophobicContact CE1-CD1 3.53Å; Y54-L262 HydrophobicContact CE2-CD1 4.09Å; Y54-L262 HydrophobicContact CG-CD1 4.31Å; Y54-M265 HydrophobicContact CD1-CB 3.38Å; Y54-M265 HydrophobicContact CD1-CG 3.83Å; Y54-M265 HydrophobicContact CE1-CB 3.51Å; Y54-M265 HydrophobicContact CE1-CG 4.44Å; Y54-E266 HydrophobicContact CE1-CG 4.44Å |
| 55 | E | 48.1 | Very low | 70.6 | Confident | 114 Ų | 114 | 61.9 Ų | 61.9 | 53% | 0.533 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -37.2 | -178.7 | -64.2 | -126.9 | 96.6 | 0 | 0 | 113.7 | D53 K97 | D53-E55 PolarHBondContact O-N 3.33Å; D53-E55 VanDerWaalsContact OD1-CB 3.26Å; D53-E55 WeakPolarHBondContact OD1-CB 3.35Å; D53-E55 PolarHBondContact OD1-N 3.12Å; E55-K97 VanDerWaalsContact CA-NZ 3.26Å; E55-K97 VanDerWaalsContact CB-NZ 3.34Å; E55-K97 WeakPolarHBondContact O-CE 3.33Å; E55-K97 PolarHBondContact O-NZ 2.91Å; E55-K97 IonicContact OE1-NZ 3.78Å; E55-K97 PolarHBondContact OE1-NZ 3.34Å |
| 56 | N | 55.2 | Low | 70.4 | Confident | 81 Ų | 81 | 57 Ų | 57 | 43% | 0.433 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | -18.5 | -170.5 | -63.4 | -45.8 | 0 | 0 | 0 | 112.9 | D53 L58 T59 D60 | D53-N56 PolarHBondContact O-N 3.49Å; D53-N56 PolarHBondContact OD2-ND2 3.2Å; N56-L58 VanDerWaalsContact C-N 3.35Å; N56-L58 PolarHBondContact O-N 3.43Å; N56-L58 VanDerWaalsContact O-N 3.16Å; N56-T59 WeakPolarHBondContact O-CA 3.18Å; N56-T59 VanDerWaalsContact O-CB 3.29Å; N56-T59 WeakPolarHBondContact O-CB 3.37Å; N56-T59 PolarHBondContact O-N 2.92Å; N56-T59 PolarHBondContact O-OG1 3.29Å; N56-D60 PolarHBondContact O-N 2.68Å |
| 57 | S | 56.9 | Low | 70.4 | Confident | 12 Ų | 12 | 60.5 Ų | 60.5 | 8% | 0.084 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -37.2 | -171.4 | 52.8 | 0 | 0 | 0 | 0 | 115.8 | D53 T59 F61 M265 | D53-S57 VanDerWaalsContact O-CB 3.27Å; D53-S57 WeakPolarHBondContact O-CB 3.44Å; D53-S57 PolarHBondContact O-N 3.38Å; D53-S57 PolarHBondContact O-OG 3.46Å; S57-T59 VanDerWaalsContact C-N 3.33Å; S57-F61 WeakPolarHBondContact O-CD2 3.34Å; S57-F61 WeakPolarHBondContact O-CE2 3.33Å; S57-M265 PolarHBondContact OG-SD 3.22Å |
| 58 | L | 64.8 | Low | 70.5 | Confident | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -26.6 | 175.8 | -158.8 | 109.3 | 0 | 0 | 0 | 112 | N56 D60 F61 F62 F94 L95 W261 F264 M265 | N56-L58 VanDerWaalsContact C-N 3.35Å; N56-L58 PolarHBondContact O-N 3.43Å; N56-L58 VanDerWaalsContact O-N 3.16Å; L58-D60 PolarHBondContact O-N 3.42Å; L58-F61 PolarHBondContact O-N 2.74Å; L58-F62 HydrophobicContact CD2-CE2 3.74Å; L58-F62 HydrophobicContact CG-CE2 4.3Å; L58-F62 VanDerWaalsContact O-CD2 3.29Å; L58-F62 WeakPolarHBondContact O-CD2 3.34Å; L58-F94 HydrophobicContact CD1-CD2 4.24Å; L58-F94 HydrophobicContact CD2-CD2 4.07Å; L58-F94 HydrophobicContact CD2-CE2 3.97Å; L58-L95 HydrophobicContact CD2-CD2 3.17Å; L58-L95 HydrophobicContact CD2-CG 4.28Å; L58-W261 HydrophobicContact CB-CH2 3.29Å; L58-W261 HydrophobicContact CB-CZ2 3.77Å; L58-W261 HydrophobicContact CB-CZ3 4.05Å; L58-W261 HydrophobicContact CD2-CH2 3.91Å; L58-W261 HydrophobicContact CD2-CZ3 3.84Å; L58-W261 HydrophobicContact CG-CH2 4.12Å; L58-W261 HydrophobicContact CG-CZ3 4.42Å; L58-F264 HydrophobicContact CD1-CD1 3.36Å; L58-F264 HydrophobicContact CD1-CE1 3.15Å; L58-F264 HydrophobicContact CD1-CZ 4.22Å; L58-M265 HydrophobicContact CB-CE 3.95Å; L58-M265 HydrophobicContact CD1-CE 3.3Å; L58-M265 HydrophobicContact CG-CE 4.19Å |
| 59 | T | 68.6 | Low | 70.8 | Confident | 39 Ų | 39 | 50.9 Ų | 50.9 | 24% | 0.239 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -67.9 | -29.7 | 178.7 | 73.2 | 0 | 0 | 0 | 0 | 111.5 | N56 S57 F61 F62 W69 | N56-T59 WeakPolarHBondContact O-CA 3.18Å; N56-T59 VanDerWaalsContact O-CB 3.29Å; N56-T59 WeakPolarHBondContact O-CB 3.37Å; N56-T59 PolarHBondContact O-N 2.92Å; N56-T59 PolarHBondContact O-OG1 3.29Å; S57-T59 VanDerWaalsContact C-N 3.33Å; T59-F61 PolarHBondContact O-N 2.98Å; T59-F61 VanDerWaalsContact O-N 3.1Å; T59-F62 PolarHBondContact O-N 3.12Å; T59-W69 HydrophobicContact CG2-CH2 3.48Å; T59-W69 VanDerWaalsContact CG2-CH2 3.48Å; T59-W69 HydrophobicContact CG2-CZ2 4.33Å; T59-W69 HydrophobicContact CG2-CZ3 4.31Å |
| 60 | D | 74.9 | Confident | 71.3 | Confident | 30 Ų | 30 | 54.6 Ų | 54.6 | 16% | 0.16 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -63.2 | -17.5 | 176.8 | -58.9 | -21 | 0 | 0 | 0 | 113.7 | N56 L58 P402 A403 | N56-D60 PolarHBondContact O-N 2.68Å; L58-D60 PolarHBondContact O-N 3.42Å; D60-P402 HydrophobicContact CB-CB 4.16Å; D60-P402 WeakPolarHBondContact O-CD 3.12Å; D60-A403 HydrophobicContact CB-CB 4.04Å; D60-A403 WeakPolarHBondContact O-CB 3.5Å; D60-A403 PolarHBondContact O-N 3.42Å |
| 61 | F | 76.8 | Confident | 72 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 4% | 0.044 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -88.9 | -10.6 | 176.4 | -64.9 | -89.9 | 0 | 0 | 0 | 113.4 | S57 L58 T59 M335 L526 Q688 M748 | S57-F61 WeakPolarHBondContact O-CD2 3.34Å; S57-F61 WeakPolarHBondContact O-CE2 3.33Å; L58-F61 PolarHBondContact O-N 2.74Å; T59-F61 PolarHBondContact O-N 2.98Å; T59-F61 VanDerWaalsContact O-N 3.1Å; F61-M335 HydrophobicContact CE1-CE 4.19Å; F61-L526 HydrophobicContact CD1-CD1 4.03Å; F61-L526 HydrophobicContact CD1-CD2 4.33Å; F61-L526 HydrophobicContact CE1-CD1 4.19Å; F61-L526 HydrophobicContact CE1-CD2 4.13Å; F61-L526 HydrophobicContact CG-CD1 4.42Å; F61-Q688 PolarHBondContact O-NE2 3.46Å; F61-M748 HydrophobicContact CD1-CE 3.33Å; F61-M748 HydrophobicContact CD1-SD 4.37Å; F61-M748 HydrophobicContact CE1-CE 3.73Å; F61-M748 HydrophobicContact CG-CE 4.33Å |
| 62 | F | 80.1 | Confident | 72.9 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -102.9 | 149 | 177.6 | -66.5 | -76.5 | 0 | 0 | 0 | 111 | L58 T59 E64 W69 L95 L684 L685 | L58-F62 HydrophobicContact CD2-CE2 3.74Å; L58-F62 HydrophobicContact CG-CE2 4.3Å; L58-F62 VanDerWaalsContact O-CD2 3.29Å; L58-F62 WeakPolarHBondContact O-CD2 3.34Å; T59-F62 PolarHBondContact O-N 3.12Å; F62-E64 PolarHBondContact O-N 3.17Å; F62-W69 HydrophobicContact CB-CE3 3.93Å; F62-W69 HydrophobicContact CB-CZ3 4Å; F62-W69 HydrophobicContact CD2-CZ3 4.39Å; F62-W69 HydrophobicContact CG-CZ3 4.45Å; F62-L95 HydrophobicContact CE2-CD2 4Å; F62-L95 HydrophobicContact CZ-CD2 4.3Å; F62-L684 HydrophobicContact CD1-CB 3.83Å; F62-L684 HydrophobicContact CE1-CB 3.74Å; F62-L684 HydrophobicContact CZ-CB 4.5Å; F62-L685 HydrophobicContact CE1-CD2 3.75Å; F62-L685 HydrophobicContact CE1-CG 4.23Å; F62-L685 HydrophobicContact CZ-CD2 4.1Å |
| 63 | P | 83.3 | Confident | 74 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -75.1 | 119.7 | 179.9 | 24.4 | -25.5 | 0 | 0 | 0 | 111.5 | N65 S66 P400 F401 L691 | P63-N65 PolarHBondContact O-N 3.04Å; P63-S66 WeakPolarHBondContact O-CB 3.48Å; P63-S66 PolarHBondContact O-N 3.1Å; P63-S66 VanDerWaalsContact O-N 3.11Å; P63-S66 PolarHBondContact O-OG 3.35Å; P63-P400 WeakPolarHBondContact CA-O 3.46Å; P63-P400 HydrophobicContact CB-CB 3.99Å; P63-P400 HydrophobicContact CB-CG 4.12Å; P63-F401 HydrophobicContact CB-CD1 4.32Å; P63-F401 HydrophobicContact CB-CE1 4Å; P63-F401 HydrophobicContact CB-CZ 4.49Å; P63-F401 HydrophobicContact CG-CE1 3.99Å; P63-L691 HydrophobicContact CB-CD1 3.77Å; P63-L691 HydrophobicContact CG-CD1 3.45Å; P63-L691 VanDerWaalsContact CG-CD1 3.45Å | ||
| 64 | E | 76.4 | Confident | 75.3 | Confident | 105 Ų | 105 | 48 Ų | 48 | 49% | 0.491 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -31.2 | -178 | -67.6 | -175.3 | 166.4 | 0 | 0 | 112.8 | F62 S66 P400 P402 | F62-E64 PolarHBondContact O-N 3.17Å; E64-S66 VanDerWaalsContact C-N 3.33Å; E64-S66 PolarHBondContact O-N 2.61Å; E64-P400 PolarHBondContact N-O 3.33Å; E64-P402 HydrophobicContact CG-CG 3.69Å; E64-P402 WeakPolarHBondContact OE1-CG 3.4Å |
| 65 | N | 80.3 | Confident | 76.5 | Confident | 125 Ų | 125 | 45.1 Ų | 45.1 | 67% | 0.668 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 6.5 | -177.5 | -68.3 | -27.7 | 0 | 0 | 0 | 114 | P63 | P63-N65 PolarHBondContact O-N 3.04Š|
| 66 | S | 84.8 | Confident | 77.7 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | trans | -76.7 | 149.7 | -178.4 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | P63 E64 S68 W69 Q70 | P63-S66 WeakPolarHBondContact O-CB 3.48Å; P63-S66 PolarHBondContact O-N 3.1Å; P63-S66 VanDerWaalsContact O-N 3.11Å; P63-S66 PolarHBondContact O-OG 3.35Å; E64-S66 VanDerWaalsContact C-N 3.33Å; E64-S66 PolarHBondContact O-N 2.61Å; S66-S68 VanDerWaalsContact C-N 3.33Å; S66-S68 PolarHBondContact O-N 2.95Å; S66-W69 WeakPolarHBondContact O-CB 3.49Å; S66-W69 PolarHBondContact O-N 3.18Å; S66-W69 WeakPolarHBondContact OG-CB 3.47Å; S66-W69 PolarHBondContact OG-N 3.49Å; S66-Q70 PolarHBondContact O-N 3.43Å | ||
| 67 | E | 87.2 | Confident | 78.6 | Confident | 95 Ų | 95 | 51.5 Ų | 51.5 | 44% | 0.444 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.3 | -45 | 178.3 | -170.6 | 179.8 | 161.5 | 0 | 0 | 110.3 | W69 Q70 N71 | E67-W69 VanDerWaalsContact C-N 3.32Å; E67-W69 PolarHBondContact O-N 3.08Å; E67-Q70 PolarHBondContact O-N 3.22Å; E67-N71 VanDerWaalsContact O-CB 3.3Å; E67-N71 WeakPolarHBondContact O-CB 3.31Å; E67-N71 PolarHBondContact O-N 2.85Å; E67-N71 PolarHBondContact O-ND2 3.38Å; E67-N71 PolarHBondContact O-OD1 2.82Å |
| 68 | S | 86.3 | Confident | 79.6 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.3 | -34.1 | 178.8 | -60.4 | 0 | 0 | 0 | 0 | 112.8 | S66 N71 M72 F679 F683 D687 | S66-S68 VanDerWaalsContact C-N 3.33Å; S66-S68 PolarHBondContact O-N 2.95Å; S68-N71 PolarHBondContact O-N 3.33Å; S68-M72 WeakPolarHBondContact O-CB 3.34Å; S68-M72 PolarHBondContact O-N 3.47Å; S68-F679 VanDerWaalsContact O-CE2 3.23Å; S68-F679 WeakPolarHBondContact O-CE2 3.16Å; S68-F683 VanDerWaalsContact OG-CB 3.29Å; S68-F683 WeakPolarHBondContact OG-CB 3.47Å; S68-F683 PolarHBondContact OG-O 3.07Å; S68-D687 WeakPolarHBondContact CA-OD2 3.33Å; S68-D687 WeakPolarHBondContact CB-OD2 3.42Å; S68-D687 PolarHBondContact N-OD2 3.08Å; S68-D687 VanDerWaalsContact OG-CG 3.25Å; S68-D687 PolarHBondContact OG-OD1 2.88Å; S68-D687 PolarHBondContact OG-OD2 2.94Å |
| 69 | W | 82.9 | Confident | 79.9 | Confident | 34 Ų | 34 | 54.7 Ų | 54.7 | 13% | 0.129 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.3 | -48.9 | 175.4 | -173.5 | -100 | 0 | 0 | 0 | 111.4 | T59 F62 S66 E67 N71 M72 H73 L684 | T59-W69 HydrophobicContact CG2-CH2 3.48Å; T59-W69 VanDerWaalsContact CG2-CH2 3.48Å; T59-W69 HydrophobicContact CG2-CZ2 4.33Å; T59-W69 HydrophobicContact CG2-CZ3 4.31Å; F62-W69 HydrophobicContact CB-CE3 3.93Å; F62-W69 HydrophobicContact CB-CZ3 4Å; F62-W69 HydrophobicContact CD2-CZ3 4.39Å; F62-W69 HydrophobicContact CG-CZ3 4.45Å; S66-W69 WeakPolarHBondContact O-CB 3.49Å; S66-W69 PolarHBondContact O-N 3.18Å; S66-W69 WeakPolarHBondContact OG-CB 3.47Å; S66-W69 PolarHBondContact OG-N 3.49Å; E67-W69 VanDerWaalsContact C-N 3.32Å; E67-W69 PolarHBondContact O-N 3.08Å; W69-N71 PolarHBondContact O-N 3.39Å; W69-M72 HydrophobicContact CD2-CE 4.37Å; W69-M72 HydrophobicContact CE3-CE 3.97Å; W69-M72 HydrophobicContact CH2-CE 3.88Å; W69-M72 HydrophobicContact CZ2-CE 4.41Å; W69-M72 HydrophobicContact CZ3-CE 3.71Å; W69-M72 PolarHBondContact O-N 3.07Å; W69-H73 AromaticContact CD1-CD2 3.76Å; W69-H73 AromaticContact CE2-CD2 3.65Å; W69-H73 AromaticContact CE2-NE2 3.25Å; W69-H73 VanDerWaalsContact CE2-NE2 3.25Å; W69-H73 AromaticContact CZ2-NE2 3.2Å; W69-H73 WeakPolarHBondContact CZ2-NE2 3.46Å; W69-H73 AromaticContact NE1-CD2 3.4Å; W69-H73 PolarHBondContact NE1-CD2 2.96Å; W69-H73 AromaticContact NE1-NE2 3.31Å; W69-H73 PolarHBondContact NE1-NE2 2.82Å; W69-H73 PolarHBondContact O-CD2 2.79Å; W69-H73 VanDerWaalsContact O-CD2 3.3Å; W69-H73 PolarHBondContact O-N 2.92Å; W69-H73 VanDerWaalsContact O-N 3.11Å; W69-L684 HydrophobicContact CB-CD2 4.34Å; W69-L684 HydrophobicContact CE3-CD2 4.06Å |
| 70 | Q | 86.5 | Confident | 79.5 | Confident | 112 Ų | 112 | 59.7 Ų | 59.7 | 52% | 0.523 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 176.5 | -65.3 | 177.8 | 14.9 | 0 | 0 | 111.8 | S66 E67 M72 H73 A74 | S66-Q70 PolarHBondContact O-N 3.43Å; E67-Q70 PolarHBondContact O-N 3.22Å; Q70-M72 VanDerWaalsContact C-N 3.35Å; Q70-M72 PolarHBondContact O-N 3.3Å; Q70-H73 PolarHBondContact O-N 3.49Å; Q70-A74 WeakPolarHBondContact O-CB 3.49Å; Q70-A74 PolarHBondContact O-N 3.19Å |
| 71 | N | 87.7 | Confident | 78.5 | Confident | 15 Ų | 15 | 63.6 Ų | 63.6 | 8% | 0.08 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 177.5 | -71.1 | -11.6 | 0 | 0 | 0 | 112 | E67 S68 W69 A74 L75 F677 F679 | E67-N71 VanDerWaalsContact O-CB 3.3Å; E67-N71 WeakPolarHBondContact O-CB 3.31Å; E67-N71 PolarHBondContact O-N 2.85Å; E67-N71 PolarHBondContact O-ND2 3.38Å; E67-N71 PolarHBondContact O-OD1 2.82Å; S68-N71 PolarHBondContact O-N 3.33Å; W69-N71 PolarHBondContact O-N 3.39Å; N71-A74 PolarHBondContact O-N 3.34Å; N71-L75 WeakPolarHBondContact O-CB 3.33Å; N71-L75 WeakPolarHBondContact O-CG 3.49Å; N71-L75 PolarHBondContact O-N 3.18Å; N71-F677 HydrophobicContact CB-CD1 4.45Å; N71-F677 HydrophobicContact CB-CD2 3.65Å; N71-F677 HydrophobicContact CB-CE1 4.28Å; N71-F677 HydrophobicContact CB-CE2 3.47Å; N71-F677 VanDerWaalsContact CB-CE2 3.47Å; N71-F677 HydrophobicContact CB-CG 4.16Å; N71-F677 HydrophobicContact CB-CZ 3.81Å; N71-F677 VanDerWaalsContact CG-CD2 3.42Å; N71-F677 VanDerWaalsContact CG-CG 3.42Å; N71-F677 WeakPolarHBondContact OD1-CD1 3.38Å; N71-F677 WeakPolarHBondContact OD1-CE1 3.42Å; N71-F677 WeakPolarHBondContact OD1-CG 3.36Å; N71-F679 HydrophobicContact CB-CB 4.32Å; N71-F679 HydrophobicContact CB-CD2 3.93Å; N71-F679 HydrophobicContact CB-CG 4.36Å |
| 72 | M | 82.4 | Confident | 77.2 | Confident | 15 Ų | 15 | 66.8 Ų | 66.8 | 7% | 0.074 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.8 | -48.7 | 174.8 | -174.7 | -175.1 | 62.6 | 0 | 0 | 111.5 | S68 W69 Q70 L75 R76 F679 L684 | S68-M72 WeakPolarHBondContact O-CB 3.34Å; S68-M72 PolarHBondContact O-N 3.47Å; W69-M72 HydrophobicContact CD2-CE 4.37Å; W69-M72 HydrophobicContact CE3-CE 3.97Å; W69-M72 HydrophobicContact CH2-CE 3.88Å; W69-M72 HydrophobicContact CZ2-CE 4.41Å; W69-M72 HydrophobicContact CZ3-CE 3.71Å; W69-M72 PolarHBondContact O-N 3.07Å; Q70-M72 VanDerWaalsContact C-N 3.35Å; Q70-M72 PolarHBondContact O-N 3.3Å; M72-L75 PolarHBondContact O-N 3.01Å; M72-R76 WeakPolarHBondContact O-CG 3.4Å; M72-R76 PolarHBondContact O-N 3.05Å; M72-F679 HydrophobicContact CB-CE1 4.16Å; M72-F679 HydrophobicContact CB-CE2 3.78Å; M72-F679 HydrophobicContact CB-CZ 3.5Å; M72-F679 HydrophobicContact CG-CE1 4.22Å; M72-F679 HydrophobicContact CG-CZ 3.78Å; M72-F679 HydrophobicContact SD-CZ 4.46Å; M72-L684 HydrophobicContact SD-CD1 3.95Å |
| 73 | H | 79.1 | Confident | 75.4 | Confident | 88 Ų | 88 | 70 Ų | 70 | 41% | 0.407 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.2 | -38.4 | 179.4 | -82.4 | -70.5 | 0 | 0 | 0 | 112.4 | W69 Q70 R76 K77 | W69-H73 AromaticContact CD1-CD2 3.76Å; W69-H73 AromaticContact CE2-CD2 3.65Å; W69-H73 AromaticContact CE2-NE2 3.25Å; W69-H73 VanDerWaalsContact CE2-NE2 3.25Å; W69-H73 AromaticContact CZ2-NE2 3.2Å; W69-H73 WeakPolarHBondContact CZ2-NE2 3.46Å; W69-H73 AromaticContact NE1-CD2 3.4Å; W69-H73 PolarHBondContact NE1-CD2 2.96Å; W69-H73 AromaticContact NE1-NE2 3.31Å; W69-H73 PolarHBondContact NE1-NE2 2.82Å; W69-H73 PolarHBondContact O-CD2 2.79Å; W69-H73 VanDerWaalsContact O-CD2 3.3Å; W69-H73 PolarHBondContact O-N 2.92Å; W69-H73 VanDerWaalsContact O-N 3.11Å; Q70-H73 PolarHBondContact O-N 3.49Å; H73-R76 PolarHBondContact O-N 3.1Å; H73-K77 WeakPolarHBondContact O-CB 3.35Å; H73-K77 PolarHBondContact O-N 2.77Å |
| 74 | A | 82.5 | Confident | 73.7 | Confident | 34 Ų | 34 | 74 Ų | 74 | 28% | 0.281 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q70 N71 K77 L78 F677 | Q70-A74 WeakPolarHBondContact O-CB 3.49Å; Q70-A74 PolarHBondContact O-N 3.19Å; N71-A74 PolarHBondContact O-N 3.34Å; A74-K77 PolarHBondContact O-N 2.9Å; A74-L78 WeakPolarHBondContact O-CG 3.43Å; A74-L78 PolarHBondContact O-N 3.31Å; A74-F677 HydrophobicContact CB-CE1 4.25Å; A74-F677 HydrophobicContact CB-CZ 4.05Å |
| 75 | L | 81.3 | Confident | 72.6 | Confident | 18 Ų | 18 | 70.2 Ų | 70.2 | 9% | 0.094 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.8 | -46.4 | 176.3 | -76.7 | 175.1 | 0 | 0 | 0 | 112.3 | N71 M72 K77 L78 F79 T552 F554 F677 F679 | N71-L75 WeakPolarHBondContact O-CB 3.33Å; N71-L75 WeakPolarHBondContact O-CG 3.49Å; N71-L75 PolarHBondContact O-N 3.18Å; M72-L75 PolarHBondContact O-N 3.01Å; L75-K77 VanDerWaalsContact C-N 3.26Å; L75-K77 PolarHBondContact O-N 3.18Å; L75-L78 PolarHBondContact O-N 3.37Å; L75-F79 HydrophobicContact CD2-CD2 3.65Å; L75-F79 HydrophobicContact CD2-CE2 3.73Å; L75-F79 PolarHBondContact O-N 3.44Å; L75-T552 HydrophobicContact CD1-CG2 4.17Å; L75-T552 HydrophobicContact CD2-CG2 4.05Å; L75-F554 HydrophobicContact CD2-CB 4.01Å; L75-F554 HydrophobicContact CD2-CD2 4.2Å; L75-F554 HydrophobicContact CD2-CG 4.13Å; L75-F677 HydrophobicContact CD1-CE2 3.95Å; L75-F677 HydrophobicContact CD2-CE2 4.34Å; L75-F677 HydrophobicContact CD2-CZ 4.46Å; L75-F677 HydrophobicContact CG-CE2 3.85Å; L75-F677 HydrophobicContact CG-CZ 4.02Å; L75-F679 HydrophobicContact CD1-CB 3.72Å; L75-F679 HydrophobicContact CD1-CD1 3.49Å; L75-F679 VanDerWaalsContact CD1-CD1 3.49Å; L75-F679 HydrophobicContact CD1-CE1 4.41Å; L75-F679 HydrophobicContact CD1-CG 3.86Å |
| 76 | R | 74.4 | Confident | 71.4 | Confident | 143 Ų | 143 | 64.5 Ų | 64.5 | 54% | 0.54 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.1 | -33.5 | 178.8 | -76.2 | -176.9 | -179.2 | -179 | 2.5 | 113 | M72 H73 | M72-R76 WeakPolarHBondContact O-CG 3.4Å; M72-R76 PolarHBondContact O-N 3.05Å; H73-R76 PolarHBondContact O-N 3.1Å |
| 77 | K | 74.7 | Confident | 69.8 | Low | 185 Ų | 185 | 66.9 Ų | 66.9 | 80% | 0.804 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -74.1 | -34.8 | 178.9 | -174 | 175.6 | -180 | 177.4 | 0 | 112.8 | H73 A74 L75 | H73-K77 WeakPolarHBondContact O-CB 3.35Å; H73-K77 PolarHBondContact O-N 2.77Å; A74-K77 PolarHBondContact O-N 2.9Å; L75-K77 VanDerWaalsContact C-N 3.26Å; L75-K77 PolarHBondContact O-N 3.18Å |
| 78 | L | 76.3 | Confident | 68.1 | Low | 61 Ų | 61 | 64.1 Ų | 64.1 | 32% | 0.319 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -92.1 | -35.3 | -175 | -67.7 | 174.6 | 0 | 0 | 0 | 113.2 | A74 L75 F554 Y643 | A74-L78 WeakPolarHBondContact O-CG 3.43Å; A74-L78 PolarHBondContact O-N 3.31Å; L75-L78 PolarHBondContact O-N 3.37Å; L78-F554 HydrophobicContact CD1-CE1 4.09Å; L78-F554 HydrophobicContact CD1-CE2 3.77Å; L78-F554 HydrophobicContact CD1-CZ 3.28Å; L78-Y643 HydrophobicContact CB-CE2 4.3Å; L78-Y643 HydrophobicContact CD2-CE1 4.02Å |
| 79 | F | 71.9 | Confident | 66.3 | Low | 23 Ų | 23 | 64.2 Ų | 64.2 | 10% | 0.101 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -117.1 | 95.8 | -177.4 | -58.1 | -74.9 | 0 | 0 | 0 | 108.5 | L75 F554 S629 Y643 K645 | L75-F79 HydrophobicContact CD2-CD2 3.65Å; L75-F79 HydrophobicContact CD2-CE2 3.73Å; L75-F79 PolarHBondContact O-N 3.44Å; F79-F554 AromaticContact CE2-CD2 3.58Å; F79-F554 HydrophobicContact CE2-CD2 3.58Å; F79-F554 AromaticContact CE2-CE2 3.65Å; F79-F554 HydrophobicContact CE2-CE2 3.65Å; F79-F554 HydrophobicContact CZ-CD2 4Å; F79-F554 AromaticContact CZ-CE2 3.96Å; F79-F554 HydrophobicContact CZ-CE2 3.96Å; F79-S629 WeakPolarHBondContact CD1-O 3.33Å; F79-S629 WeakPolarHBondContact CE1-O 3.36Å; F79-Y643 HydrophobicContact CE1-CD2 4.2Å; F79-Y643 AromaticContact CE1-CE2 3.86Å; F79-Y643 HydrophobicContact CE1-CE2 3.86Å; F79-Y643 HydrophobicContact CE2-CD2 4.45Å; F79-Y643 HydrophobicContact CE2-CE2 4.47Å; F79-Y643 AromaticContact CZ-CD2 3.71Å; F79-Y643 HydrophobicContact CZ-CD2 3.71Å; F79-Y643 AromaticContact CZ-CE2 3.77Å; F79-Y643 HydrophobicContact CZ-CE2 3.77Å; F79-K645 HydrophobicContact CD1-CD 3.75Å; F79-K645 HydrophobicContact CD1-CG 4.33Å; F79-K645 HydrophobicContact CD2-CD 4.17Å; F79-K645 HydrophobicContact CE1-CB 4.26Å; F79-K645 HydrophobicContact CE1-CD 3.7Å; F79-K645 HydrophobicContact CE1-CG 3.76Å; F79-K645 HydrophobicContact CE2-CB 4.1Å; F79-K645 HydrophobicContact CE2-CD 4.13Å; F79-K645 HydrophobicContact CE2-CG 4.36Å; F79-K645 HydrophobicContact CG-CD 3.97Å; F79-K645 HydrophobicContact CZ-CB 3.72Å; F79-K645 HydrophobicContact CZ-CD 3.89Å; F79-K645 HydrophobicContact CZ-CG 3.76Å |
| 80 | I | 59.5 | Low | 64.9 | Low | 145 Ų | 145 | 62.7 Ų | 62.7 | 74% | 0.744 | 31% | 0.305 | S | S | * | . | trans | -63.6 | 137.8 | 171.3 | -57 | 174 | 0 | 0 | 0 | 107.5 | D82 | I80-D82 PolarHBondContact O-N 2.88Š| ||
| 81 | I | 54.7 | Low | 63.1 | Low | 112 Ų | 112 | 58.3 Ų | 58.3 | 57% | 0.574 | 29% | 0.286 | S | S | * | . | trans | -64.3 | 101.4 | 178.2 | -59.4 | 172.6 | 0 | 0 | 0 | 107.9 | ||||
| 82 | D | 48.2 | Very low | 61.4 | Low | 76 Ų | 76 | 58.3 Ų | 58.3 | 41% | 0.406 | 29% | 0.286 | S | S | . | . | trans | -97 | 163 | 175.5 | -165.3 | 5.5 | 0 | 0 | 0 | 110.7 | I80 F84 N85 V86 | I80-D82 PolarHBondContact O-N 2.88Å; D82-F84 PolarHBondContact O-N 2.92Å; D82-N85 PolarHBondContact O-N 3.45Å; D82-V86 PolarHBondContact O-N 2.86Å | ||
| 83 | K | 43 | Very low | 60.3 | Low | 75 Ų | 75 | 57.8 Ų | 57.8 | 33% | 0.326 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -39.1 | -38 | -179.9 | 174.9 | -177.3 | 176.7 | 167.8 | 0 | 114.5 | V86 T150 | K83-V86 VanDerWaalsContact O-CG2 3.31Å; K83-V86 WeakPolarHBondContact O-CG2 3.47Å; K83-T150 HydrophobicContact CD-CG2 3.31Å; K83-T150 HydrophobicContact CG-CG2 3.78Å; K83-T150 VanDerWaalsContact NZ-CG2 3.27Å |
| 84 | F | 47.5 | Very low | 59.3 | Low | 84 Ų | 84 | 54.1 Ų | 54.1 | 37% | 0.368 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -23.2 | -174.6 | -57.3 | -75.3 | 0 | 0 | 0 | 113.6 | D82 H626 | D82-F84 PolarHBondContact O-N 2.92Å; F84-H626 HydrophobicContact CB-CB 3.66Å; F84-H626 HydrophobicContact CD1-CB 3.55Å; F84-H626 HydrophobicContact CD2-CB 3.57Å; F84-H626 HydrophobicContact CE1-CB 4.02Å; F84-H626 HydrophobicContact CE2-CB 4.05Å; F84-H626 HydrophobicContact CG-CB 3.29Å; F84-H626 HydrophobicContact CZ-CB 4.25Å |
| 85 | N | 54.5 | Low | 58.3 | Low | 25 Ų | 25 | 53.8 Ų | 53.8 | 13% | 0.134 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -103.4 | 7.5 | -177.2 | -70.7 | -53.6 | 0 | 0 | 0 | 113.2 | D82 F87 S88 K645 | D82-N85 PolarHBondContact O-N 3.45Å; N85-F87 PolarHBondContact O-N 3.28Å; N85-F87 VanDerWaalsContact O-N 3.13Å; N85-S88 WeakPolarHBondContact O-CB 3Å; N85-S88 PolarHBondContact O-N 2.84Å; N85-K645 PolarHBondContact ND2-NZ 3.04Å |
| 86 | V | 53.7 | Low | 57.8 | Low | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.03 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -34.7 | -179.1 | 178.1 | 0 | 0 | 0 | 0 | 111.4 | D82 K83 K96 F148 A156 F222 | D82-V86 PolarHBondContact O-N 2.86Å; K83-V86 VanDerWaalsContact O-CG2 3.31Å; K83-V86 WeakPolarHBondContact O-CG2 3.47Å; V86-K96 PolarHBondContact O-NZ 2.87Å; V86-F148 HydrophobicContact CG2-CD1 3.7Å; V86-F148 HydrophobicContact CG2-CE1 3.36Å; V86-F148 HydrophobicContact CG2-CZ 4.07Å; V86-A156 HydrophobicContact CG1-CB 4.39Å; V86-A156 HydrophobicContact CG2-CB 4.42Å; V86-F222 HydrophobicContact CG1-CB 4.09Å; V86-F222 HydrophobicContact CG1-CD1 3.45Å; V86-F222 VanDerWaalsContact CG1-CD1 3.45Å; V86-F222 HydrophobicContact CG1-CD2 3.67Å; V86-F222 HydrophobicContact CG1-CE1 3.67Å; V86-F222 HydrophobicContact CG1-CE2 3.89Å; V86-F222 HydrophobicContact CG1-CG 3.44Å; V86-F222 VanDerWaalsContact CG1-CG 3.44Å; V86-F222 HydrophobicContact CG1-CZ 3.89Å; V86-F222 VanDerWaalsContact O-CE1 3.26Å; V86-F222 WeakPolarHBondContact O-CE1 3.38Å |
| 87 | F | 51.9 | Low | 57.7 | Low | 53 Ų | 53 | 51.3 Ų | 51.3 | 23% | 0.232 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 7.5 | 178.3 | -64.5 | -81.5 | 0 | 0 | 0 | 114.7 | N85 I90 H158 L220 F222 | N85-F87 PolarHBondContact O-N 3.28Å; N85-F87 VanDerWaalsContact O-N 3.13Å; F87-I90 HydrophobicContact CB-CD1 3.69Å; F87-I90 HydrophobicContact CD1-CD1 3.75Å; F87-I90 HydrophobicContact CG-CD1 4.21Å; F87-I90 WeakPolarHBondContact O-CD1 3.38Å; F87-I90 WeakPolarHBondContact O-CG1 3.25Å; F87-H158 HydrophobicContact CE1-CB 4.05Å; F87-H158 HydrophobicContact CZ-CB 4.03Å; F87-L220 HydrophobicContact CD1-CD1 4.12Å; F87-L220 HydrophobicContact CE1-CD1 4.14Å; F87-F222 AromaticContact CD1-CE2 3.8Å; F87-F222 HydrophobicContact CD1-CE2 3.8Å; F87-F222 AromaticContact CD1-CZ 3.95Å; F87-F222 HydrophobicContact CD1-CZ 3.95Å; F87-F222 HydrophobicContact CE1-CD2 4.4Å; F87-F222 AromaticContact CE1-CE2 3.44Å; F87-F222 HydrophobicContact CE1-CE2 3.44Å; F87-F222 VanDerWaalsContact CE1-CE2 3.44Å; F87-F222 HydrophobicContact CE1-CZ 4.07Å; F87-F222 AromaticContact CZ-CE2 3.92Å; F87-F222 HydrophobicContact CZ-CE2 3.92Å |
| 88 | S | 50.8 | Low | 57.8 | Low | 37 Ų | 37 | 44.6 Ų | 44.6 | 26% | 0.259 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 132.7 | 173.2 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | N85 K96 D549 | N85-S88 WeakPolarHBondContact O-CB 3Å; N85-S88 PolarHBondContact O-N 2.84Å; S88-K96 WeakPolarHBondContact O-CE 3.42Å; S88-K96 PolarHBondContact O-NZ 3.24Å; S88-D549 WeakPolarHBondContact CA-OD1 3.45Å |
| 89 | G | 49.4 | Very low | 58.2 | Low | 9 Ų | 9 | 41.7 Ų | 41.7 | 9% | 0.093 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 16.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | S91 F92 D549 | G89-S91 PolarHBondContact O-N 3.04Å; G89-F92 PolarHBondContact O-N 3.12Å; G89-D549 WeakPolarHBondContact CA-OD2 3.46Å; G89-D549 PolarHBondContact N-OD1 2.95Å; G89-D549 PolarHBondContact N-OD2 3.09Å |
| 90 | I | 52.7 | Low | 59 | Low | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -65.4 | -18.6 | 175.4 | -50 | 167.7 | 0 | 0 | 0 | 112.7 | F87 F92 L93 P197 L220 D549 | F87-I90 HydrophobicContact CB-CD1 3.69Å; F87-I90 HydrophobicContact CD1-CD1 3.75Å; F87-I90 HydrophobicContact CG-CD1 4.21Å; F87-I90 WeakPolarHBondContact O-CD1 3.38Å; F87-I90 WeakPolarHBondContact O-CG1 3.25Å; I90-F92 PolarHBondContact O-N 3.32Å; I90-L93 HydrophobicContact CB-CD2 4.35Å; I90-L93 HydrophobicContact CG2-CD2 3.25Å; I90-L93 HydrophobicContact CG2-CG 4.17Å; I90-L93 VanDerWaalsContact O-CG 3.26Å; I90-L93 WeakPolarHBondContact O-CG 3.46Å; I90-L93 PolarHBondContact O-N 3.5Å; I90-P197 HydrophobicContact CD1-CB 3.54Å; I90-P197 HydrophobicContact CD1-CG 3.99Å; I90-L220 HydrophobicContact CD1-CD1 3.9Å; I90-L220 HydrophobicContact CG2-CD1 3.96Å; I90-L220 HydrophobicContact CG2-CD2 4.22Å; I90-D549 WeakPolarHBondContact CA-OD2 3.42Å; I90-D549 WeakPolarHBondContact CB-OD2 3.4Å; I90-D549 PolarHBondContact N-OD2 3.24Å |
| 91 | S | 48.1 | Very low | 60.5 | Low | 20 Ų | 20 | 33.7 Ų | 33.7 | 14% | 0.14 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -54 | -29.6 | 174 | -79.2 | 0 | 0 | 0 | 0 | 113.4 | G89 A548 D549 H680 | G89-S91 PolarHBondContact O-N 3.04Å; S91-A548 WeakPolarHBondContact OG-CA 3.35Å; S91-A548 WeakPolarHBondContact OG-CB 3.32Å; S91-D549 WeakPolarHBondContact OG-CB 3.38Å; S91-D549 PolarHBondContact OG-N 3.32Å; S91-H680 PolarHBondContact OG-NE2 2.87Å |
| 92 | F | 53.3 | Low | 62.4 | Low | 16 Ų | 16 | 28.4 Ų | 28.4 | 7% | 0.07 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -121.4 | 65.5 | 178.6 | -68.5 | -86.9 | 0 | 0 | 0 | 109.6 | G89 I90 F94 L95 Y658 H680 P681 L685 | G89-F92 PolarHBondContact O-N 3.12Å; I90-F92 PolarHBondContact O-N 3.32Å; F92-F94 HydrophobicContact CB-CE1 4.37Å; F92-F94 HydrophobicContact CD1-CD1 4.47Å; F92-F94 AromaticContact CD1-CE1 3.49Å; F92-F94 HydrophobicContact CD1-CE1 3.49Å; F92-F94 VanDerWaalsContact CD1-CE1 3.49Å; F92-F94 AromaticContact CD1-CZ 3.72Å; F92-F94 HydrophobicContact CD1-CZ 3.72Å; F92-F94 HydrophobicContact CE1-CE1 4.24Å; F92-F94 HydrophobicContact CE1-CZ 4.46Å; F92-F94 HydrophobicContact CG-CE1 4.42Å; F92-F94 PolarHBondContact O-N 2.86Å; F92-F94 VanDerWaalsContact O-N 3.1Å; F92-L95 HydrophobicContact CB-CB 4.21Å; F92-L95 HydrophobicContact CB-CD1 3.59Å; F92-L95 HydrophobicContact CB-CG 4.02Å; F92-L95 HydrophobicContact CD1-CD1 4.47Å; F92-L95 HydrophobicContact CG-CD1 4.11Å; F92-L95 WeakPolarHBondContact O-CB 3.37Å; F92-L95 PolarHBondContact O-N 3.41Å; F92-Y658 HydrophobicContact CE2-CE1 4.33Å; F92-Y658 HydrophobicContact CE2-CE2 4.26Å; F92-Y658 AromaticContact CE2-CZ 3.88Å; F92-Y658 HydrophobicContact CZ-CD2 4.46Å; F92-Y658 AromaticContact CZ-CE2 3.91Å; F92-Y658 HydrophobicContact CZ-CE2 3.91Å; F92-H680 AromaticContact CE2-CE1 3.7Å; F92-P681 HydrophobicContact CB-CB 4.24Å; F92-P681 HydrophobicContact CD2-CB 3.86Å; F92-P681 HydrophobicContact CG-CB 4.29Å; F92-L685 HydrophobicContact CD1-CD1 4.13Å; F92-L685 HydrophobicContact CE1-CD1 3.31Å; F92-L685 HydrophobicContact CE1-CG 4.4Å; F92-L685 HydrophobicContact CZ-CD1 3.97Å |
| 93 | L | 58.7 | Low | 64.6 | Low | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.016 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -47.1 | -40.2 | 178.3 | -64.1 | 167.3 | 0 | 0 | 0 | 112.9 | I90 L95 K96 L99 Y101 L220 | I90-L93 HydrophobicContact CB-CD2 4.35Å; I90-L93 HydrophobicContact CG2-CD2 3.25Å; I90-L93 HydrophobicContact CG2-CG 4.17Å; I90-L93 VanDerWaalsContact O-CG 3.26Å; I90-L93 WeakPolarHBondContact O-CG 3.46Å; I90-L93 PolarHBondContact O-N 3.5Å; L93-L95 PolarHBondContact O-N 3.04Å; L93-K96 PolarHBondContact O-N 2.8Å; L93-K96 VanDerWaalsContact O-N 3.12Å; L93-L99 HydrophobicContact CB-CD2 4.46Å; L93-L99 HydrophobicContact CD2-CD2 3.31Å; L93-L99 HydrophobicContact CD2-CG 4.26Å; L93-L99 HydrophobicContact CG-CD2 4.49Å; L93-Y101 HydrophobicContact CB-CD1 3.78Å; L93-Y101 HydrophobicContact CB-CE1 3.38Å; L93-Y101 HydrophobicContact CD1-CD1 3.8Å; L93-Y101 HydrophobicContact CD1-CD2 3.53Å; L93-Y101 HydrophobicContact CD1-CE1 3.67Å; L93-Y101 HydrophobicContact CD1-CE2 3.36Å; L93-Y101 HydrophobicContact CD1-CG 3.72Å; L93-Y101 VanDerWaalsContact CD1-CZ 3.43Å; L93-Y101 HydrophobicContact CD2-CD1 4.23Å; L93-Y101 HydrophobicContact CD2-CG 4.39Å; L93-Y101 HydrophobicContact CG-CD1 4.16Å; L93-Y101 HydrophobicContact CG-CE1 4.06Å; L93-Y101 HydrophobicContact CG-CG 4.45Å; L93-L220 HydrophobicContact CD2-CD2 3.77Å |
| 94 | F | 58.3 | Low | 67.1 | Low | 12 Ų | 12 | 21.2 Ų | 21.2 | 5% | 0.053 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -68.7 | -13.6 | -179.5 | 73.1 | -96 | 0 | 0 | 0 | 113.5 | L58 F92 W261 F264 V523 L537 | L58-F94 HydrophobicContact CD1-CD2 4.24Å; L58-F94 HydrophobicContact CD2-CD2 4.07Å; L58-F94 HydrophobicContact CD2-CE2 3.97Å; F92-F94 HydrophobicContact CB-CE1 4.37Å; F92-F94 HydrophobicContact CD1-CD1 4.47Å; F92-F94 AromaticContact CD1-CE1 3.49Å; F92-F94 HydrophobicContact CD1-CE1 3.49Å; F92-F94 VanDerWaalsContact CD1-CE1 3.49Å; F92-F94 AromaticContact CD1-CZ 3.72Å; F92-F94 HydrophobicContact CD1-CZ 3.72Å; F92-F94 HydrophobicContact CE1-CE1 4.24Å; F92-F94 HydrophobicContact CE1-CZ 4.46Å; F92-F94 HydrophobicContact CG-CE1 4.42Å; F92-F94 PolarHBondContact O-N 2.86Å; F92-F94 VanDerWaalsContact O-N 3.1Å; F94-W261 WeakPolarHBondContact O-CZ3 3.25Å; F94-F264 HydrophobicContact CB-CD2 4.48Å; F94-V523 HydrophobicContact CE1-CG1 4.37Å; F94-V523 HydrophobicContact CE2-CG1 4.1Å; F94-V523 HydrophobicContact CZ-CG1 4.02Å; F94-V523 HydrophobicContact CZ-CG2 4.01Å; F94-L537 HydrophobicContact CB-CD2 4.38Å; F94-L537 HydrophobicContact CD1-CD2 3.77Å; F94-L537 HydrophobicContact CG-CD2 4.43Å |
| 95 | L | 62.2 | Low | 69.4 | Low | 27 Ų | 27 | 17.2 Ų | 17.2 | 14% | 0.141 | 9% | 0.09 | C | C | . | . | G | 310 helix | trans | -83.9 | -16.8 | 173.5 | -75.4 | 172.3 | 0 | 0 | 0 | 112.8 | L58 F62 F92 L93 K97 W261 P681 L684 | L58-L95 HydrophobicContact CD2-CD2 3.17Å; L58-L95 HydrophobicContact CD2-CG 4.28Å; F62-L95 HydrophobicContact CE2-CD2 4Å; F62-L95 HydrophobicContact CZ-CD2 4.3Å; F92-L95 HydrophobicContact CB-CB 4.21Å; F92-L95 HydrophobicContact CB-CD1 3.59Å; F92-L95 HydrophobicContact CB-CG 4.02Å; F92-L95 HydrophobicContact CD1-CD1 4.47Å; F92-L95 HydrophobicContact CG-CD1 4.11Å; F92-L95 WeakPolarHBondContact O-CB 3.37Å; F92-L95 PolarHBondContact O-N 3.41Å; L93-L95 PolarHBondContact O-N 3.04Å; L95-K97 PolarHBondContact O-N 3.45Å; L95-W261 WeakPolarHBondContact O-CZ3 3.31Å; L95-P681 HydrophobicContact CD1-CB 4.12Å; L95-L684 HydrophobicContact CD1-CD1 4.16Å |
| 96 | K | 70.4 | Confident | 71.3 | Confident | 44 Ų | 44 | 16.6 Ų | 16.6 | 19% | 0.191 | 9% | 0.087 | C | C | . | . | trans | -91.6 | 103.6 | -176.2 | -75.4 | -168 | 167.3 | -165 | 0 | 110.9 | V86 S88 L93 N98 L99 | V86-K96 PolarHBondContact O-NZ 2.87Å; S88-K96 WeakPolarHBondContact O-CE 3.42Å; S88-K96 PolarHBondContact O-NZ 3.24Å; L93-K96 PolarHBondContact O-N 2.8Å; L93-K96 VanDerWaalsContact O-N 3.12Å; K96-N98 VanDerWaalsContact C-N 3.26Å; K96-N98 PolarHBondContact O-N 2.88Å; K96-L99 HydrophobicContact CB-CB 3.63Å; K96-L99 HydrophobicContact CB-CD2 4.13Å; K96-L99 HydrophobicContact CD-CB 4.41Å; K96-L99 HydrophobicContact CD-CD2 3.8Å; K96-L99 PolarHBondContact O-N 2.9Å; K96-L99 VanDerWaalsContact O-N 3.16Å | ||
| 97 | K | 71.7 | Confident | 73.1 | Confident | 64 Ų | 64 | 19.6 Ų | 19.6 | 28% | 0.278 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -43.3 | 178.3 | -68.1 | -176.5 | 176.7 | -178.4 | 0 | 113.4 | E55 L95 L99 R239 W261 | E55-K97 VanDerWaalsContact CA-NZ 3.26Å; E55-K97 VanDerWaalsContact CB-NZ 3.34Å; E55-K97 WeakPolarHBondContact O-CE 3.33Å; E55-K97 PolarHBondContact O-NZ 2.91Å; E55-K97 IonicContact OE1-NZ 3.78Å; E55-K97 PolarHBondContact OE1-NZ 3.34Å; L95-K97 PolarHBondContact O-N 3.45Å; K97-L99 VanDerWaalsContact C-N 3.34Å; K97-L99 PolarHBondContact O-N 2.99Å; K97-R239 PolarHBondContact O-NH1 3.43Å; K97-R239 PolarHBondContact O-NH2 2.95Å; K97-W261 HydrophobicContact CB-CG 4.49Å; K97-W261 HydrophobicContact CG-CD2 3.95Å; K97-W261 HydrophobicContact CG-CE3 4.18Å; K97-W261 HydrophobicContact CG-CG 4.28Å; K97-W261 HydrophobicContact CG-CZ2 4.4Å |
| 98 | N | 77.7 | Confident | 74.9 | Confident | 44 Ų | 44 | 26.3 Ų | 26.3 | 24% | 0.235 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 17.6 | -173.3 | -59.3 | -24.5 | 0 | 0 | 0 | 113.8 | K96 L223 E225 R239 | K96-N98 VanDerWaalsContact C-N 3.26Å; K96-N98 PolarHBondContact O-N 2.88Å; N98-L223 HydrophobicContact CB-CB 4.33Å; N98-L223 WeakPolarHBondContact CB-O 3.26Å; N98-L223 WeakPolarHBondContact O-CD1 3.47Å; N98-L223 PolarHBondContact O-N 3.26Å; N98-E225 WeakPolarHBondContact ND2-CA 3.49Å; N98-R239 PolarHBondContact OD1-NH2 3.13Å |
| 99 | L | 83.5 | Confident | 76.4 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 132 | -179.5 | -177.8 | 55.2 | 0 | 0 | 0 | 111.1 | L93 K96 K97 L220 F221 F222 | L93-L99 HydrophobicContact CB-CD2 4.46Å; L93-L99 HydrophobicContact CD2-CD2 3.31Å; L93-L99 HydrophobicContact CD2-CG 4.26Å; L93-L99 HydrophobicContact CG-CD2 4.49Å; K96-L99 HydrophobicContact CB-CB 3.63Å; K96-L99 HydrophobicContact CB-CD2 4.13Å; K96-L99 HydrophobicContact CD-CB 4.41Å; K96-L99 HydrophobicContact CD-CD2 3.8Å; K96-L99 PolarHBondContact O-N 2.9Å; K96-L99 VanDerWaalsContact O-N 3.16Å; K97-L99 VanDerWaalsContact C-N 3.34Å; K97-L99 PolarHBondContact O-N 2.99Å; L99-L220 HydrophobicContact CD1-CB 4.18Å; L99-L220 HydrophobicContact CD1-CD2 4.27Å; L99-F221 WeakPolarHBondContact CD1-O 3.2Å; L99-F222 HydrophobicContact CD1-CD1 3.81Å; L99-F222 HydrophobicContact CD1-CD2 4.36Å; L99-F222 HydrophobicContact CD1-CE1 3.63Å; L99-F222 HydrophobicContact CD1-CE2 4.17Å; L99-F222 HydrophobicContact CD1-CG 4.18Å; L99-F222 HydrophobicContact CD1-CZ 3.82Å; L99-F222 HydrophobicContact CD2-CE1 4.08Å; L99-F222 HydrophobicContact CD2-CZ 4.42Å; L99-F222 HydrophobicContact CG-CE1 4.32Å |
| 100 | V | 89.1 | Confident | 78 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 137.6 | 172 | 176.3 | 0 | 0 | 0 | 0 | 107.8 | F221 L223 W238 R239 F242 | V100-F221 HydrophobicContact CB-CB 4.42Å; V100-F221 PolarHBondContact N-O 2.74Å; V100-F221 PolarHBondContact O-N 3.42Å; V100-L223 HydrophobicContact CB-CD1 4.19Å; V100-L223 HydrophobicContact CG2-CD1 3.54Å; V100-W238 HydrophobicContact CB-CZ3 4.42Å; V100-W238 HydrophobicContact CG1-CZ3 4.46Å; V100-W238 HydrophobicContact CG2-CZ3 4.28Å; V100-R239 HydrophobicContact CG2-CG 4Å; V100-F242 HydrophobicContact CG1-CD1 3.24Å; V100-F242 HydrophobicContact CG1-CD2 3.71Å; V100-F242 HydrophobicContact CG1-CE1 3.03Å; V100-F242 HydrophobicContact CG1-CE2 3.48Å; V100-F242 VanDerWaalsContact CG1-CE2 3.48Å; V100-F242 HydrophobicContact CG1-CG 3.59Å; V100-F242 HydrophobicContact CG1-CZ 3.14Å |
| 101 | Y | 90.9 | Very high | 79.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 153.6 | -174.9 | 69.2 | -85.3 | 0 | 0 | 0 | 114.2 | L93 I103 I219 W258 S259 T536 | L93-Y101 HydrophobicContact CB-CD1 3.78Å; L93-Y101 HydrophobicContact CB-CE1 3.38Å; L93-Y101 HydrophobicContact CD1-CD1 3.8Å; L93-Y101 HydrophobicContact CD1-CD2 3.53Å; L93-Y101 HydrophobicContact CD1-CE1 3.67Å; L93-Y101 HydrophobicContact CD1-CE2 3.36Å; L93-Y101 HydrophobicContact CD1-CG 3.72Å; L93-Y101 VanDerWaalsContact CD1-CZ 3.43Å; L93-Y101 HydrophobicContact CD2-CD1 4.23Å; L93-Y101 HydrophobicContact CD2-CG 4.39Å; L93-Y101 HydrophobicContact CG-CD1 4.16Å; L93-Y101 HydrophobicContact CG-CE1 4.06Å; L93-Y101 HydrophobicContact CG-CG 4.45Å; Y101-I103 HydrophobicContact CD2-CD1 4.5Å; Y101-I103 HydrophobicContact CD2-CG1 4.18Å; Y101-I103 HydrophobicContact CE2-CD1 4.13Å; Y101-I103 HydrophobicContact CE2-CG1 4.29Å; Y101-I219 VanDerWaalsContact CA-O 3.25Å; Y101-I219 WeakPolarHBondContact CA-O 3.49Å; Y101-I219 WeakPolarHBondContact CB-O 3.29Å; Y101-W258 VanDerWaalsContact O-CA 3.31Å; Y101-W258 WeakPolarHBondContact O-CA 3.37Å; Y101-S259 VanDerWaalsContact CD1-O 3.31Å; Y101-S259 WeakPolarHBondContact CD1-O 3.21Å; Y101-S259 PolarHBondContact N-O 3.47Å; Y101-S259 VanDerWaalsContact N-O 3.11Å; Y101-S259 PolarHBondContact O-N 3.3Å; Y101-S259 VanDerWaalsContact O-N 3.13Å; Y101-S259 WeakPolarHBondContact OH-CB 3.36Å; Y101-T536 HydrophobicContact CD2-CG2 4.42Å; Y101-T536 HydrophobicContact CE2-CG2 3.41Å; Y101-T536 VanDerWaalsContact CE2-CG2 3.41Å |
| 102 | V | 94.4 | Very high | 81.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 130.3 | 172.7 | -170.4 | 0 | 0 | 0 | 0 | 109.5 | L125 I129 R218 I219 F242 V246 L256 Y257 W258 | V102-L125 HydrophobicContact CB-CD2 4.46Å; V102-L125 HydrophobicContact CG1-CD2 3.96Å; V102-I129 HydrophobicContact CG2-CD1 4.24Å; V102-R218 CarbonylContact O-C 3.54Å; V102-R218 WeakPolarHBondContact O-CA 3.34Å; V102-I219 PolarHBondContact N-O 3.36Å; V102-I219 PolarHBondContact O-N 2.86Å; V102-F242 HydrophobicContact CG2-CE2 3.8Å; V102-F242 HydrophobicContact CG2-CZ 3.46Å; V102-F242 VanDerWaalsContact CG2-CZ 3.46Å; V102-V246 HydrophobicContact CG1-CG1 4.24Å; V102-V246 HydrophobicContact CG2-CG1 4.15Å; V102-V246 HydrophobicContact CG2-CG2 4.03Å; V102-L256 HydrophobicContact CG1-CB 4.35Å; V102-L256 HydrophobicContact CG1-CD2 4.24Å; V102-Y257 CarbonylContact C-O 3.59Å; V102-Y257 WeakPolarHBondContact CA-O 3.37Å; V102-W258 HydrophobicContact CG1-CB 4.43Å; V102-W258 HydrophobicContact CG2-CB 4.08Å |
| 103 | I | 94.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 115.5 | 168.7 | -58 | 171.1 | 0 | 0 | 0 | 107.4 | Y101 A216 M217 R218 L256 Y257 T536 N540 F544 | Y101-I103 HydrophobicContact CD2-CD1 4.5Å; Y101-I103 HydrophobicContact CD2-CG1 4.18Å; Y101-I103 HydrophobicContact CE2-CD1 4.13Å; Y101-I103 HydrophobicContact CE2-CG1 4.29Å; I103-A216 HydrophobicContact CG2-CB 4.16Å; I103-M217 WeakPolarHBondContact CA-O 3.25Å; I103-R218 HydrophobicContact CG1-CB 4.39Å; I103-R218 HydrophobicContact CG1-CG 4.22Å; I103-L256 CarbonylContact O-C 3.21Å; I103-L256 WeakPolarHBondContact O-CA 3.45Å; I103-Y257 HydrophobicContact CG2-CD2 4.49Å; I103-Y257 PolarHBondContact N-O 2.8Å; I103-Y257 PolarHBondContact O-N 3.13Å; I103-T536 HydrophobicContact CD1-CG2 4.25Å; I103-N540 HydrophobicContact CD1-CB 3.82Å; I103-F544 HydrophobicContact CD1-CE2 4.17Å; I103-F544 HydrophobicContact CG1-CE2 4.25Å; I103-F544 HydrophobicContact CG2-CE2 3.93Å; I103-F544 HydrophobicContact CG2-CZ 4.48Å |
| 104 | M | 96.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 118.2 | 168.9 | 179 | 176.2 | 52.5 | 0 | 0 | 108.6 | V113 C121 A122 A216 M217 Y254 L256 | M104-V113 WeakPolarHBondContact O-CG1 3.44Å; M104-C121 HydrophobicContact SD-CB 4.06Å; M104-A122 HydrophobicContact CE-CB 3.43Å; M104-A122 VanDerWaalsContact CE-CB 3.43Å; M104-A216 CarbonylContact O-C 3.54Å; M104-A216 VanDerWaalsContact O-CA 3.26Å; M104-A216 WeakPolarHBondContact O-CA 3.33Å; M104-M217 PolarHBondContact N-O 3.46Å; M104-M217 PolarHBondContact O-N 3.16Å; M104-Y254 HydrophobicContact CG-CD1 4.25Å; M104-Y254 HydrophobicContact CG-CG 4.39Å; M104-Y254 HydrophobicContact SD-CG 4.42Å; M104-L256 HydrophobicContact CB-CD2 3.72Å; M104-L256 HydrophobicContact CG-CD2 3.78Å; M104-L256 HydrophobicContact SD-CD2 4.38Å |
| 105 | A | 95.8 | Very high | 86.9 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142.2 | 180 | 0 | 0 | 0 | 0 | 0 | 111.3 | S107 A216 Y254 S255 Y257 Y543 | A105-S107 PolarHBondContact O-N 3.34Å; A105-A216 HydrophobicContact CB-CB 4.04Å; A105-Y254 CarbonylContact O-C 3.45Å; A105-Y254 WeakPolarHBondContact O-CA 3.48Å; A105-S255 PolarHBondContact N-O 3.2Å; A105-S255 PolarHBondContact O-N 3.34Å; A105-Y257 HydrophobicContact CB-CE2 4.12Å; A105-Y543 HydrophobicContact CB-CD2 4.45Å; A105-Y543 HydrophobicContact CB-CE2 3.75Å |
| 106 | S | 95.1 | Very high | 88.3 | Confident | 11 Ų | 11 | 43.6 Ų | 43.6 | 8% | 0.077 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 125.4 | 172.5 | 160.4 | 0 | 0 | 0 | 0 | 110.6 | R108 G111 A215 | S106-R108 PolarHBondContact O-N 2.85Å; S106-R108 PolarHBondContact OG-N 2.96Å; S106-R108 PolarHBondContact OG-O 3.01Å; S106-G111 WeakPolarHBondContact OG-CA 3.42Å; S106-A215 PolarHBondContact N-O 2.8Å |
| 107 | S | 90.8 | Very high | 89.4 | Confident | 69 Ų | 69 | 45.9 Ų | 45.9 | 48% | 0.483 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -70.1 | -17.3 | 175.5 | -46.2 | 0 | 0 | 0 | 0 | 112.6 | A105 G253 S255 | A105-S107 PolarHBondContact O-N 3.34Å; S107-G253 WeakPolarHBondContact CB-O 3.2Å; S107-G253 PolarHBondContact N-O 2.84Å; S107-G253 PolarHBondContact OG-O 3.38Å; S107-S255 PolarHBondContact OG-OG 2.92Å |
| 108 | R | 89.6 | Confident | 90.4 | Very high | 193 Ų | 193 | 42.8 Ų | 42.8 | 73% | 0.728 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -86.4 | 135 | 177.3 | -60.9 | -179.2 | -177.2 | -176.3 | 1 | 110.8 | S106 N110 G111 | S106-R108 PolarHBondContact O-N 2.85Å; S106-R108 PolarHBondContact OG-N 2.96Å; S106-R108 PolarHBondContact OG-O 3.01Å; R108-N110 PolarHBondContact O-N 3.42Å; R108-N110 VanDerWaalsContact O-N 3.1Å; R108-G111 PolarHBondContact O-N 2.96Å |
| 109 | K | 82.6 | Confident | 91.1 | Very high | 204 Ų | 204 | 40.8 Ų | 40.8 | 89% | 0.887 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -33.8 | 177.5 | -76.9 | -172 | 179.6 | -179.3 | 0 | 114.1 | R213 | K109-R213 PolarHBondContact O-NH2 3.05Š|
| 110 | N | 82.7 | Confident | 91.6 | Very high | 137 Ų | 137 | 46.5 Ų | 46.5 | 73% | 0.733 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | 11.7 | 177.6 | -74.9 | -8.7 | 0 | 0 | 0 | 114 | R108 R213 | R108-N110 PolarHBondContact O-N 3.42Å; R108-N110 VanDerWaalsContact O-N 3.1Å; N110-R213 VanDerWaalsContact CA-CZ 3.42Å; N110-R213 VanDerWaalsContact CA-NH2 3.28Å; N110-R213 PolarHBondContact OD1-NH1 3.03Å |
| 111 | G | 88.5 | Confident | 91.8 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 13% | 0.134 | 23% | 0.227 | C | C | . | . | trans | -77.5 | 164.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S106 R108 R213 | S106-G111 WeakPolarHBondContact OG-CA 3.42Å; R108-G111 PolarHBondContact O-N 2.96Å; G111-R213 PolarHBondContact O-NE 2.71Å; G111-R213 PolarHBondContact O-NH2 3.06Å; G111-R213 VanDerWaalsContact O-NH2 3.16Å | ||
| 112 | S | 93.3 | Very high | 92 | Very high | 21 Ų | 21 | 46.9 Ų | 46.9 | 15% | 0.147 | 23% | 0.227 | C | C | . | . | trans | -134.9 | 132.2 | -174.1 | -161.3 | 0 | 0 | 0 | 0 | 110.7 | I114 S115 A214 Y254 | S112-I114 VanDerWaalsContact C-N 3.28Å; S112-I114 WeakPolarHBondContact OG-CG1 3.34Å; S112-S115 PolarHBondContact O-N 3.23Å; S112-S115 PolarHBondContact O-OG 2.98Å; S112-A214 CarbonylContact C-O 3.46Å; S112-A214 VanDerWaalsContact CA-O 3.25Å; S112-A214 WeakPolarHBondContact CA-O 3.31Å; S112-A214 PolarHBondContact OG-N 2.94Å; S112-A214 PolarHBondContact OG-O 3.44Å; S112-Y254 PolarHBondContact O-OH 3.11Å | ||
| 113 | V | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -20.6 | 173.5 | -63.6 | 0 | 0 | 0 | 0 | 112.2 | M104 S115 G118 L119 A214 M217 Y254 | M104-V113 WeakPolarHBondContact O-CG1 3.44Å; V113-S115 PolarHBondContact O-N 3.18Å; V113-G118 CarbonylContact O-C 3.52Å; V113-G118 WeakPolarHBondContact O-CA 3.45Å; V113-L119 PolarHBondContact O-N 2.87Å; V113-A214 HydrophobicContact CG2-CB 3.78Å; V113-A214 WeakPolarHBondContact CG2-O 3.37Å; V113-A214 PolarHBondContact N-O 3.01Å; V113-M217 HydrophobicContact CB-CB 4.26Å; V113-M217 HydrophobicContact CG2-CB 3.8Å; V113-Y254 HydrophobicContact CG1-CD1 4.18Å; V113-Y254 HydrophobicContact CG1-CE1 3.97Å |
| 114 | I | 92.1 | Very high | 92 | Very high | 20 Ų | 20 | 49.1 Ų | 49.1 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 8.5 | 174.7 | 59.8 | 157 | 0 | 0 | 0 | 113.5 | S112 L181 L199 L211 A214 | S112-I114 VanDerWaalsContact C-N 3.28Å; S112-I114 WeakPolarHBondContact OG-CG1 3.34Å; I114-L181 HydrophobicContact CB-CD1 4.18Å; I114-L181 HydrophobicContact CD1-CD1 4.43Å; I114-L181 HydrophobicContact CG2-CD1 4.3Å; I114-L181 HydrophobicContact CG2-CD2 3.95Å; I114-L199 HydrophobicContact CG2-CD2 4.46Å; I114-L211 HydrophobicContact CD1-CD2 3.8Å; I114-L211 HydrophobicContact CD1-CG 3.97Å; I114-L211 HydrophobicContact CG2-CD2 3.87Å; I114-A214 HydrophobicContact CG2-CB 4.16Å |
| 115 | S | 91.8 | Very high | 91.9 | Very high | 44 Ų | 44 | 49.1 Ų | 49.1 | 31% | 0.308 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -72.1 | 158.7 | 169.4 | 65.8 | 0 | 0 | 0 | 0 | 110.4 | S112 V113 H117 G118 L119 Y254 | S112-S115 PolarHBondContact O-N 3.23Å; S112-S115 PolarHBondContact O-OG 2.98Å; V113-S115 PolarHBondContact O-N 3.18Å; S115-H117 VanDerWaalsContact C-N 3.25Å; S115-H117 PolarHBondContact O-N 3.25Å; S115-G118 WeakPolarHBondContact O-CA 3.24Å; S115-G118 PolarHBondContact O-N 3.43Å; S115-G118 PolarHBondContact OG-N 3.28Å; S115-L119 WeakPolarHBondContact O-CG 3.44Å; S115-L119 PolarHBondContact O-N 3.41Å; S115-Y254 PolarHBondContact OG-OH 3.46Å |
| 116 | E | 91.6 | Very high | 91.8 | Very high | 50 Ų | 50 | 49.1 Ų | 49.1 | 23% | 0.234 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -52 | -44.3 | 179 | -175.1 | 62.2 | -152.1 | 0 | 0 | 112.4 | R120 H172 I173 A174 | E116-R120 WeakPolarHBondContact O-CB 3.45Å; E116-R120 PolarHBondContact O-N 2.94Å; E116-R120 IonicContact OE1-NH2 2.71Å; E116-H172 WeakPolarHBondContact OE1-CA 3.25Å; E116-I173 PolarHBondContact OE1-N 2.97Å; E116-I173 PolarHBondContact OE2-N 2.85Å; E116-A174 HydrophobicContact CB-CB 4.49Å; E116-A174 WeakPolarHBondContact OE2-CB 3.14Å; E116-A174 PolarHBondContact OE2-N 3.3Å |
| 117 | H | 91.7 | Very high | 91.7 | Very high | 91 Ų | 91 | 48.7 Ų | 48.7 | 42% | 0.421 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.9 | -43.4 | 176.1 | -175 | 52.3 | 0 | 0 | 0 | 111.9 | S115 R120 C121 P252 Y254 | S115-H117 VanDerWaalsContact C-N 3.25Å; S115-H117 PolarHBondContact O-N 3.25Å; H117-R120 PolarHBondContact O-N 3.49Å; H117-C121 PolarHBondContact O-N 3.34Å; H117-C121 PolarHBondContact O-SG 3.36Å; H117-P252 PolarHBondContact NE2-O 3.12Å; H117-Y254 AromaticContact CD2-CE2 3.5Å; H117-Y254 VanDerWaalsContact CD2-CE2 3.5Å; H117-Y254 WeakPolarHBondContact CD2-CE2 3.29Å; H117-Y254 AromaticContact NE2-CE2 3.99Å |
| 118 | G | 92.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65 | -43.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V113 S115 R120 C121 A122 Y254 | V113-G118 CarbonylContact O-C 3.52Å; V113-G118 WeakPolarHBondContact O-CA 3.45Å; S115-G118 WeakPolarHBondContact O-CA 3.24Å; S115-G118 PolarHBondContact O-N 3.43Å; S115-G118 PolarHBondContact OG-N 3.28Å; G118-R120 VanDerWaalsContact C-N 3.32Å; G118-R120 PolarHBondContact O-N 3.36Å; G118-C121 PolarHBondContact O-N 3Å; G118-A122 PolarHBondContact O-N 3.45Å; G118-Y254 WeakPolarHBondContact CA-OH 3.25Å; G118-Y254 PolarHBondContact N-OH 2.98Å |
| 119 | L | 93.8 | Very high | 92 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.8 | -35.4 | 177 | -67.1 | 170.9 | 0 | 0 | 0 | 111.5 | V113 S115 A122 S123 L164 I173 A174 M177 | V113-L119 PolarHBondContact O-N 2.87Å; S115-L119 WeakPolarHBondContact O-CG 3.44Å; S115-L119 PolarHBondContact O-N 3.41Å; L119-A122 WeakPolarHBondContact O-CB 3.25Å; L119-A122 PolarHBondContact O-N 3.48Å; L119-S123 WeakPolarHBondContact O-CB 3.23Å; L119-S123 PolarHBondContact O-N 3.23Å; L119-L164 HydrophobicContact CB-CD2 4.19Å; L119-L164 HydrophobicContact CD2-CD2 4.04Å; L119-I173 HydrophobicContact CB-CB 4.37Å; L119-I173 HydrophobicContact CB-CG2 3.87Å; L119-I173 HydrophobicContact CD1-CG2 4.36Å; L119-A174 HydrophobicContact CD1-CB 3.88Å; L119-M177 HydrophobicContact CD1-CB 4.2Å; L119-M177 HydrophobicContact CD1-CG 4.21Å |
| 120 | R | 93.6 | Very high | 92.4 | Very high | 122 Ų | 122 | 34.1 Ų | 34.1 | 46% | 0.46 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -65.2 | -44.4 | 173 | -170.4 | 175.9 | -66.5 | 178.7 | 0.3 | 111.8 | E116 H117 G118 A122 S123 D124 H171 I173 | E116-R120 WeakPolarHBondContact O-CB 3.45Å; E116-R120 PolarHBondContact O-N 2.94Å; E116-R120 IonicContact OE1-NH2 2.71Å; H117-R120 PolarHBondContact O-N 3.49Å; G118-R120 VanDerWaalsContact C-N 3.32Å; G118-R120 PolarHBondContact O-N 3.36Å; R120-A122 VanDerWaalsContact C-N 3.33Å; R120-A122 PolarHBondContact O-N 2.89Å; R120-S123 PolarHBondContact O-N 2.94Å; R120-D124 WeakPolarHBondContact O-CB 2.71Å; R120-D124 PolarHBondContact O-N 2.96Å; R120-H171 PolarHBondContact NH2-O 2.87Å; R120-I173 HydrophobicContact CB-CD1 4.1Å; R120-I173 HydrophobicContact CG-CD1 4.39Å |
| 121 | C | 93.9 | Very high | 92.9 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 5% | 0.047 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.2 | -41.1 | 172.9 | -66.2 | 0 | 0 | 0 | 0 | 111.8 | M104 H117 G118 L125 Y251 Y254 | M104-C121 HydrophobicContact SD-CB 4.06Å; H117-C121 PolarHBondContact O-N 3.34Å; H117-C121 PolarHBondContact O-SG 3.36Å; G118-C121 PolarHBondContact O-N 3Å; C121-L125 VanDerWaalsContact O-CB 3.3Å; C121-L125 WeakPolarHBondContact O-CB 3.34Å; C121-L125 PolarHBondContact O-N 3.16Å; C121-Y251 HydrophobicContact CB-CD1 3.95Å; C121-Y251 HydrophobicContact CB-CD2 4.2Å; C121-Y251 HydrophobicContact CB-CE1 4.28Å; C121-Y251 HydrophobicContact CB-CG 3.92Å; C121-Y254 HydrophobicContact CB-CD2 4.49Å |
| 122 | A | 94.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.3 | -48.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | M104 G118 L119 R120 L125 I126 L164 M217 | M104-A122 HydrophobicContact CE-CB 3.43Å; M104-A122 VanDerWaalsContact CE-CB 3.43Å; G118-A122 PolarHBondContact O-N 3.45Å; L119-A122 WeakPolarHBondContact O-CB 3.25Å; L119-A122 PolarHBondContact O-N 3.48Å; R120-A122 VanDerWaalsContact C-N 3.33Å; R120-A122 PolarHBondContact O-N 2.89Å; A122-L125 PolarHBondContact O-N 3.04Å; A122-I126 WeakPolarHBondContact O-CD1 3.11Å; A122-I126 WeakPolarHBondContact O-CG1 3.26Å; A122-I126 PolarHBondContact O-N 3.49Å; A122-L164 HydrophobicContact CB-CD1 3.83Å; A122-M217 HydrophobicContact CB-SD 4.23Å |
| 123 | S | 94.4 | Very high | 93.1 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | -179.3 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | L119 R120 I126 S127 L164 K168 | L119-S123 WeakPolarHBondContact O-CB 3.23Å; L119-S123 PolarHBondContact O-N 3.23Å; R120-S123 PolarHBondContact O-N 2.94Å; S123-I126 PolarHBondContact O-N 3.39Å; S123-S127 WeakPolarHBondContact O-CB 3.36Å; S123-S127 PolarHBondContact O-N 3.35Å; S123-S127 PolarHBondContact O-OG 2.88Å; S123-L164 WeakPolarHBondContact CB-O 3.12Å; S123-L164 PolarHBondContact OG-O 3.41Å; S123-K168 WeakPolarHBondContact OG-CA 3.15Å |
| 124 | D | 93.9 | Very high | 93.1 | Very high | 46 Ų | 46 | 39.3 Ų | 39.3 | 25% | 0.246 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 174.2 | -179.4 | 60 | 0 | 0 | 0 | 111.3 | R120 I126 S127 R128 Y251 | R120-D124 WeakPolarHBondContact O-CB 2.71Å; R120-D124 PolarHBondContact O-N 2.96Å; D124-I126 PolarHBondContact O-N 3.07Å; D124-S127 PolarHBondContact O-N 2.81Å; D124-R128 VanDerWaalsContact CG-NE 3.35Å; D124-R128 WeakPolarHBondContact O-CG 3.49Å; D124-R128 PolarHBondContact O-N 3.07Å; D124-R128 IonicContact OD1-CZ 2.9Å; D124-R128 IonicContact OD1-NE 3.75Å; D124-R128 PolarHBondContact OD1-NE 3.19Å; D124-R128 VanDerWaalsContact OD1-NE 3.16Å; D124-R128 IonicContact OD1-NH2 3.77Å; D124-R128 IonicContact OD2-CZ 2.7Å; D124-R128 IonicContact OD2-NE 3.13Å; D124-R128 PolarHBondContact OD2-NE 2.63Å; D124-R128 IonicContact OD2-NH2 3.15Å; D124-R128 PolarHBondContact OD2-NH2 2.88Å; D124-Y251 HydrophobicContact CB-CE1 4.45Å; D124-Y251 VanDerWaalsContact OD2-CE1 3.29Å; D124-Y251 WeakPolarHBondContact OD2-CE1 3.37Å; D124-Y251 PolarHBondContact OD2-OH 2.87Å |
| 125 | L | 94.5 | Very high | 93 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.1 | -49.3 | 177.7 | 177.9 | 60.6 | 0 | 0 | 0 | 112 | V102 C121 A122 S127 R128 I129 I219 I249 Y251 L256 | V102-L125 HydrophobicContact CB-CD2 4.46Å; V102-L125 HydrophobicContact CG1-CD2 3.96Å; C121-L125 VanDerWaalsContact O-CB 3.3Å; C121-L125 WeakPolarHBondContact O-CB 3.34Å; C121-L125 PolarHBondContact O-N 3.16Å; A122-L125 PolarHBondContact O-N 3.04Å; L125-S127 VanDerWaalsContact C-N 3.31Å; L125-S127 PolarHBondContact O-N 3.19Å; L125-R128 PolarHBondContact O-N 3.49Å; L125-I129 HydrophobicContact CD1-CD1 3.81Å; L125-I129 HydrophobicContact CD1-CG1 4.42Å; L125-I129 HydrophobicContact CG-CD1 3.98Å; L125-I129 WeakPolarHBondContact O-CD1 3.49Å; L125-I129 WeakPolarHBondContact O-CG1 3.46Å; L125-I129 PolarHBondContact O-N 2.98Å; L125-I129 VanDerWaalsContact O-N 3.12Å; L125-I219 HydrophobicContact CD2-CD1 3.79Å; L125-I219 HydrophobicContact CG-CD1 4.4Å; L125-I249 HydrophobicContact CD1-CD1 3.82Å; L125-I249 HydrophobicContact CD1-CG2 4.36Å; L125-Y251 WeakPolarHBondContact CA-OH 3.35Å; L125-Y251 HydrophobicContact CB-CE2 3.99Å; L125-Y251 HydrophobicContact CD1-CE2 4.45Å; L125-Y251 PolarHBondContact N-OH 2.95Å; L125-L256 HydrophobicContact CD1-CD1 4.21Å; L125-L256 HydrophobicContact CD2-CD1 4.35Å; L125-L256 HydrophobicContact CD2-CD2 3.86Å |
| 126 | I | 94.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.9 | -44.6 | 178.5 | -66.7 | 159.3 | 0 | 0 | 0 | 110.4 | A122 S123 D124 I129 K130 T161 L164 T165 I219 | A122-I126 WeakPolarHBondContact O-CD1 3.11Å; A122-I126 WeakPolarHBondContact O-CG1 3.26Å; A122-I126 PolarHBondContact O-N 3.49Å; S123-I126 PolarHBondContact O-N 3.39Å; D124-I126 PolarHBondContact O-N 3.07Å; I126-I129 PolarHBondContact O-N 3.43Å; I126-K130 HydrophobicContact CG2-CD 3.93Å; I126-K130 HydrophobicContact CG2-CG 4.38Å; I126-K130 WeakPolarHBondContact O-CG 3.27Å; I126-K130 PolarHBondContact O-N 3Å; I126-T161 HydrophobicContact CD1-CG2 3.88Å; I126-T161 HydrophobicContact CG1-CG2 4.22Å; I126-T161 HydrophobicContact CG2-CG2 4.11Å; I126-L164 HydrophobicContact CD1-CB 3.81Å; I126-L164 HydrophobicContact CD1-CD1 3.87Å; I126-T165 WeakPolarHBondContact CG2-OG1 3.41Å; I126-I219 HydrophobicContact CD1-CD1 4.25Å; I126-I219 HydrophobicContact CD1-CG2 4.39Å; I126-I219 HydrophobicContact CG1-CD1 3.91Å; I126-I219 HydrophobicContact CG1-CG2 3.82Å |
| 127 | S | 93 | Very high | 92.7 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.3 | -46.4 | -178.5 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | S123 D124 L125 I129 K130 E131 K168 | S123-S127 WeakPolarHBondContact O-CB 3.36Å; S123-S127 PolarHBondContact O-N 3.35Å; S123-S127 PolarHBondContact O-OG 2.88Å; D124-S127 PolarHBondContact O-N 2.81Å; L125-S127 VanDerWaalsContact C-N 3.31Å; L125-S127 PolarHBondContact O-N 3.19Å; S127-I129 VanDerWaalsContact C-N 3.31Å; S127-I129 PolarHBondContact O-N 2.84Å; S127-K130 PolarHBondContact O-N 3.35Å; S127-E131 WeakPolarHBondContact O-CB 3.49Å; S127-E131 VanDerWaalsContact O-CG 3.25Å; S127-E131 WeakPolarHBondContact O-CG 3.38Å; S127-E131 PolarHBondContact O-N 3.11Å; S127-K168 VanDerWaalsContact CB-CE 3.49Å; S127-K168 VanDerWaalsContact OG-CD 3.29Å; S127-K168 WeakPolarHBondContact OG-CD 3.23Å; S127-K168 WeakPolarHBondContact OG-CE 3.22Å |
| 128 | R | 92.8 | Very high | 92.3 | Very high | 122 Ų | 122 | 49.9 Ų | 49.9 | 46% | 0.46 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.5 | -41 | 177.6 | -72.9 | 174.6 | -174.4 | -121.2 | 2.7 | 112.4 | D124 L125 M132 I249 | D124-R128 VanDerWaalsContact CG-NE 3.35Å; D124-R128 WeakPolarHBondContact O-CG 3.49Å; D124-R128 PolarHBondContact O-N 3.07Å; D124-R128 IonicContact OD1-CZ 2.9Å; D124-R128 IonicContact OD1-NE 3.75Å; D124-R128 PolarHBondContact OD1-NE 3.19Å; D124-R128 VanDerWaalsContact OD1-NE 3.16Å; D124-R128 IonicContact OD1-NH2 3.77Å; D124-R128 IonicContact OD2-CZ 2.7Å; D124-R128 IonicContact OD2-NE 3.13Å; D124-R128 PolarHBondContact OD2-NE 2.63Å; D124-R128 IonicContact OD2-NH2 3.15Å; D124-R128 PolarHBondContact OD2-NH2 2.88Å; L125-R128 PolarHBondContact O-N 3.49Å; R128-M132 WeakPolarHBondContact O-CG 3.19Å; R128-M132 PolarHBondContact O-N 3.24Å; R128-I249 HydrophobicContact CB-CD1 4.3Å |
| 129 | I | 93.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67 | -43.2 | 177.5 | -67.1 | 163.5 | 0 | 0 | 0 | 110.5 | V102 L125 I126 S127 E131 M132 F221 W238 F242 V246 | V102-I129 HydrophobicContact CG2-CD1 4.24Å; L125-I129 HydrophobicContact CD1-CD1 3.81Å; L125-I129 HydrophobicContact CD1-CG1 4.42Å; L125-I129 HydrophobicContact CG-CD1 3.98Å; L125-I129 WeakPolarHBondContact O-CD1 3.49Å; L125-I129 WeakPolarHBondContact O-CG1 3.46Å; L125-I129 PolarHBondContact O-N 2.98Å; L125-I129 VanDerWaalsContact O-N 3.12Å; I126-I129 PolarHBondContact O-N 3.43Å; S127-I129 VanDerWaalsContact C-N 3.31Å; S127-I129 PolarHBondContact O-N 2.84Å; I129-E131 VanDerWaalsContact C-N 3.32Å; I129-E131 PolarHBondContact O-N 2.69Å; I129-M132 HydrophobicContact CB-CE 4.5Å; I129-M132 HydrophobicContact CG2-CE 3.88Å; I129-M132 WeakPolarHBondContact O-CB 3.44Å; I129-M132 WeakPolarHBondContact O-CE 3.38Å; I129-M132 VanDerWaalsContact O-CG 3.32Å; I129-M132 WeakPolarHBondContact O-CG 3.49Å; I129-M132 PolarHBondContact O-N 2.93Å; I129-F221 HydrophobicContact CB-CE1 4.35Å; I129-F221 HydrophobicContact CB-CE2 4.39Å; I129-F221 HydrophobicContact CB-CZ 3.9Å; I129-F221 HydrophobicContact CD1-CE2 3.66Å; I129-F221 HydrophobicContact CD1-CZ 3.87Å; I129-F221 HydrophobicContact CG2-CD1 4.15Å; I129-F221 HydrophobicContact CG2-CD2 4.3Å; I129-F221 HydrophobicContact CG2-CE1 3.71Å; I129-F221 HydrophobicContact CG2-CE2 3.87Å; I129-F221 HydrophobicContact CG2-CG 4.43Å; I129-F221 HydrophobicContact CG2-CZ 3.56Å; I129-W238 HydrophobicContact CG2-CH2 4.14Å; I129-W238 HydrophobicContact CG2-CZ2 4.03Å; I129-F242 HydrophobicContact CD1-CD2 4.45Å; I129-F242 HydrophobicContact CD1-CE2 3.94Å; I129-F242 HydrophobicContact CG1-CD2 4.38Å; I129-F242 HydrophobicContact CG1-CE2 4.35Å; I129-F242 HydrophobicContact CG2-CD2 3.97Å; I129-F242 HydrophobicContact CG2-CE2 4.3Å; I129-V246 HydrophobicContact CD1-CG2 4.09Å; I129-V246 HydrophobicContact CG1-CG2 4.28Å |
| 130 | K | 91.8 | Very high | 92.1 | Very high | 38 Ų | 38 | 57.5 Ų | 57.5 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.1 | -27.1 | 179.6 | -71.2 | -177.7 | 176.6 | -175.5 | 0 | 114 | I126 S127 M132 W143 E157 T165 F221 | I126-K130 HydrophobicContact CG2-CD 3.93Å; I126-K130 HydrophobicContact CG2-CG 4.38Å; I126-K130 WeakPolarHBondContact O-CG 3.27Å; I126-K130 PolarHBondContact O-N 3Å; S127-K130 PolarHBondContact O-N 3.35Å; K130-M132 VanDerWaalsContact C-N 3.28Å; K130-W143 HydrophobicContact CB-CB 4.45Å; K130-W143 HydrophobicContact CB-CG 4.49Å; K130-W143 HydrophobicContact CG-CG 4.13Å; K130-E157 WeakPolarHBondContact CE-OE1 3.49Å; K130-E157 IonicContact NZ-OE1 3.09Å; K130-E157 PolarHBondContact NZ-OE1 3.17Å; K130-E157 IonicContact NZ-OE2 2.67Å; K130-E157 PolarHBondContact NZ-OE2 2.75Å; K130-T165 HydrophobicContact CD-CG2 4.03Å; K130-T165 PolarHBondContact NZ-OG1 2.75Å; K130-F221 HydrophobicContact CG-CE1 4.25Å |
| 131 | E | 91.9 | Very high | 92 | Very high | 119 Ų | 119 | 53.7 Ų | 53.7 | 56% | 0.556 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -4.2 | 178.1 | -73.2 | 166.1 | -163.6 | 0 | 0 | 113.2 | S127 I129 K168 | S127-E131 WeakPolarHBondContact O-CB 3.49Å; S127-E131 VanDerWaalsContact O-CG 3.25Å; S127-E131 WeakPolarHBondContact O-CG 3.38Å; S127-E131 PolarHBondContact O-N 3.11Å; I129-E131 VanDerWaalsContact C-N 3.32Å; I129-E131 PolarHBondContact O-N 2.69Å; E131-K168 IonicContact OE1-NZ 3.35Å; E131-K168 PolarHBondContact OE1-NZ 2.78Å; E131-K168 IonicContact OE2-NZ 3.98Å |
| 132 | M | 93.1 | Very high | 91.9 | Very high | 17 Ų | 17 | 55.4 Ų | 55.4 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | trans | -62.9 | 139.8 | 175.7 | -63.5 | -172.4 | -50.3 | 0 | 0 | 111.4 | R128 I129 K130 W238 F242 T245 | R128-M132 WeakPolarHBondContact O-CG 3.19Å; R128-M132 PolarHBondContact O-N 3.24Å; I129-M132 HydrophobicContact CB-CE 4.5Å; I129-M132 HydrophobicContact CG2-CE 3.88Å; I129-M132 WeakPolarHBondContact O-CB 3.44Å; I129-M132 WeakPolarHBondContact O-CE 3.38Å; I129-M132 VanDerWaalsContact O-CG 3.32Å; I129-M132 WeakPolarHBondContact O-CG 3.49Å; I129-M132 PolarHBondContact O-N 2.93Å; K130-M132 VanDerWaalsContact C-N 3.28Å; M132-W238 HydrophobicContact CE-CD2 4.27Å; M132-W238 VanDerWaalsContact CE-CE2 3.47Å; M132-W238 HydrophobicContact CE-CH2 4.1Å; M132-W238 HydrophobicContact CE-CZ2 3.39Å; M132-F242 HydrophobicContact CE-CB 3.77Å; M132-F242 HydrophobicContact CE-CD2 4.3Å; M132-T245 HydrophobicContact CG-CG2 4.35Å; M132-T245 VanDerWaalsContact SD-CB 3.53Å; M132-T245 HydrophobicContact SD-CG2 3.83Å; M132-T245 PolarHBondContact SD-OG1 3.35Å | ||
| 133 | K | 93 | Very high | 91.8 | Very high | 131 Ų | 131 | 56 Ų | 56 | 57% | 0.57 | 29% | 0.287 | S | S | * | . | trans | -123.1 | 140 | 175.9 | -66.4 | -179.1 | 162.3 | -154.1 | 0 | 110.2 | E140 T142 | K133-E140 IonicContact NZ-OE2 3.44Å; K133-E140 PolarHBondContact NZ-OE2 3.3Å; K133-T142 HydrophobicContact CG-CG2 4.45Å | ||
| 134 | V | 93 | Very high | 91.5 | Very high | 13 Ų | 13 | 63.8 Ų | 63.8 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 134.9 | 176.4 | 177.2 | 0 | 0 | 0 | 0 | 108.2 | E140 Y141 L237 W238 A241 | V134-E140 CarbonylContact O-C 3.53Å; V134-E140 WeakPolarHBondContact O-CA 3.31Å; V134-Y141 PolarHBondContact N-O 3.26Å; V134-Y141 PolarHBondContact O-N 3.21Å; V134-L237 HydrophobicContact CG1-CB 3.48Å; V134-L237 VanDerWaalsContact CG1-CB 3.48Å; V134-L237 HydrophobicContact CG1-CD1 4.12Å; V134-L237 HydrophobicContact CG1-CG 4.41Å; V134-W238 HydrophobicContact CG2-CB 4Å; V134-W238 HydrophobicContact CG2-CG 4.25Å; V134-A241 HydrophobicContact CG2-CB 4.05Å |
| 135 | S | 90.4 | Very high | 91.3 | Very high | 89 Ų | 89 | 65 Ų | 65 | 62% | 0.622 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 132.1 | 175.8 | 53.8 | 0 | 0 | 0 | 0 | 110.8 | A139 | S135-A139 VanDerWaalsContact CA-O 3.28Å; S135-A139 WeakPolarHBondContact CA-O 3.4Å |
| 136 | Y | 89.5 | Confident | 91 | Very high | 58 Ų | 58 | 65.3 Ų | 65.3 | 23% | 0.227 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 129.2 | 171.9 | -179.1 | -105 | 0 | 0 | 0 | 108.5 | S138 A139 E230 V233 V234 L237 | Y136-S138 VanDerWaalsContact C-N 3.27Å; Y136-S138 PolarHBondContact O-N 2.72Å; Y136-S138 VanDerWaalsContact O-N 3.13Å; Y136-A139 PolarHBondContact N-O 3.37Å; Y136-A139 PolarHBondContact O-N 2.85Å; Y136-E230 HydrophobicContact CD1-CG 4.12Å; Y136-E230 HydrophobicContact CE1-CG 3.89Å; Y136-V233 HydrophobicContact CD2-CG1 3.9Å; Y136-V233 HydrophobicContact CE2-CB 4.41Å; Y136-V233 HydrophobicContact CE2-CG1 3.53Å; Y136-V234 HydrophobicContact CD1-CG2 4.05Å; Y136-V234 HydrophobicContact CG-CG2 4.13Å; Y136-L237 HydrophobicContact CD2-CD1 3.91Å; Y136-L237 HydrophobicContact CG-CD1 4.43Å |
| 137 | Q | 87.1 | Confident | 90.8 | Very high | 146 Ų | 146 | 65.4 Ų | 65.4 | 68% | 0.682 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.3 | 45.4 | -178.5 | -60.7 | -174.4 | 10.6 | 0 | 0 | 114.7 | A139 | Q137-A139 PolarHBondContact O-N 3.16Å; Q137-A139 VanDerWaalsContact O-N 3.16Å |
| 138 | S | 84.6 | Confident | 90.4 | Very high | 134 Ų | 134 | 67.5 Ų | 67.5 | 94% | 0.937 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | -2.6 | -177.5 | -55.5 | 0 | 0 | 0 | 0 | 116.7 | Y136 | Y136-S138 VanDerWaalsContact C-N 3.27Å; Y136-S138 PolarHBondContact O-N 2.72Å; Y136-S138 VanDerWaalsContact O-N 3.13Å |
| 139 | A | 90.5 | Very high | 89.8 | Confident | 40 Ų | 40 | 63.8 Ų | 63.8 | 33% | 0.331 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 138.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | S135 Y136 Q137 Y141 | S135-A139 VanDerWaalsContact CA-O 3.28Å; S135-A139 WeakPolarHBondContact CA-O 3.4Å; Y136-A139 PolarHBondContact N-O 3.37Å; Y136-A139 PolarHBondContact O-N 2.85Å; Q137-A139 PolarHBondContact O-N 3.16Å; Q137-A139 VanDerWaalsContact O-N 3.16Å; A139-Y141 HydrophobicContact CB-CD2 4.49Å; A139-Y141 HydrophobicContact CB-CE2 3.67Å |
| 140 | E | 91.8 | Very high | 88.7 | Confident | 121 Ų | 121 | 64.4 Ų | 64.4 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.3 | 170.4 | -70.4 | -167.2 | 167.9 | 0 | 0 | 109.8 | K133 V134 | K133-E140 IonicContact NZ-OE2 3.44Å; K133-E140 PolarHBondContact NZ-OE2 3.3Å; V134-E140 CarbonylContact O-C 3.53Å; V134-E140 WeakPolarHBondContact O-CA 3.31Å |
| 141 | Y | 91.8 | Very high | 87.5 | Confident | 41 Ų | 41 | 72.7 Ų | 72.7 | 16% | 0.161 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 134.9 | 175.6 | -58.6 | -99.8 | 0 | 0 | 0 | 109.7 | V134 A139 D145 E230 V234 | V134-Y141 PolarHBondContact N-O 3.26Å; V134-Y141 PolarHBondContact O-N 3.21Å; A139-Y141 HydrophobicContact CB-CD2 4.49Å; A139-Y141 HydrophobicContact CB-CE2 3.67Å; Y141-D145 HydrophobicContact CD1-CB 4.31Å; Y141-E230 PolarHBondContact OH-OE1 3.09Å; Y141-V234 HydrophobicContact CD1-CG1 3.92Å; Y141-V234 HydrophobicContact CD2-CG1 4.09Å; Y141-V234 HydrophobicContact CD2-CG2 4.19Å; Y141-V234 HydrophobicContact CE1-CG1 4.42Å; Y141-V234 HydrophobicContact CE1-CG2 4.27Å; Y141-V234 HydrophobicContact CE2-CG2 3.95Å; Y141-V234 HydrophobicContact CG-CG1 3.74Å; Y141-V234 HydrophobicContact CG-CG2 4.5Å |
| 142 | T | 92.1 | Very high | 86.4 | Confident | 44 Ų | 44 | 74.2 Ų | 74.2 | 27% | 0.27 | 38% | 0.381 | S | S | . | . | trans | -111.6 | 171.8 | 178.1 | 69.9 | 0 | 0 | 0 | 0 | 110.7 | K133 K144 D145 | K133-T142 HydrophobicContact CG-CG2 4.45Å; T142-K144 PolarHBondContact O-N 2.84Å; T142-K144 VanDerWaalsContact O-N 3.12Å; T142-D145 WeakPolarHBondContact CA-OD2 3.49Å; T142-D145 WeakPolarHBondContact CB-OD2 3.25Å; T142-D145 PolarHBondContact N-OD2 3.42Å; T142-D145 PolarHBondContact O-N 3.39Å; T142-D145 PolarHBondContact OG1-OD2 2.83Å | ||
| 143 | W | 91.3 | Very high | 85.6 | Confident | 11 Ų | 11 | 76 Ų | 76 | 4% | 0.042 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -52.1 | -36 | 176.2 | 176.2 | -117.8 | 0 | 0 | 0 | 113.2 | K130 D145 I146 C147 E157 F221 F222 W238 | K130-W143 HydrophobicContact CB-CB 4.45Å; K130-W143 HydrophobicContact CB-CG 4.49Å; K130-W143 HydrophobicContact CG-CG 4.13Å; W143-D145 PolarHBondContact O-N 2.96Å; W143-I146 HydrophobicContact CE3-CD1 3.99Å; W143-I146 HydrophobicContact CE3-CG1 3.97Å; W143-I146 HydrophobicContact CZ3-CD1 4.32Å; W143-I146 HydrophobicContact CZ3-CG1 4.32Å; W143-I146 PolarHBondContact O-N 3.13Å; W143-C147 HydrophobicContact CD2-CB 3.99Å; W143-C147 HydrophobicContact CE3-CB 4.32Å; W143-C147 HydrophobicContact CH2-CB 3.9Å; W143-C147 HydrophobicContact CZ2-CB 3.56Å; W143-C147 HydrophobicContact CZ3-CB 4.28Å; W143-C147 WeakPolarHBondContact O-CB 3.49Å; W143-C147 PolarHBondContact O-N 2.89Å; W143-E157 PolarHBondContact NE1-OE1 3.01Å; W143-E157 VanDerWaalsContact NE1-OE1 3.12Å; W143-F221 HydrophobicContact CH2-CB 3.61Å; W143-F221 AromaticContact CH2-CD1 3.84Å; W143-F221 HydrophobicContact CH2-CD1 3.84Å; W143-F221 HydrophobicContact CH2-CG 4.22Å; W143-F221 HydrophobicContact CZ2-CB 4.2Å; W143-F221 AromaticContact CZ2-CD1 3.69Å; W143-F221 HydrophobicContact CZ2-CD1 3.69Å; W143-F221 HydrophobicContact CZ2-CG 4.45Å; W143-F221 HydrophobicContact CZ3-CB 4.12Å; W143-F221 HydrophobicContact CZ3-CD1 4.28Å; W143-F222 WeakPolarHBondContact CH2-O 3.38Å; W143-W238 HydrophobicContact CD2-CZ2 4.45Å; W143-W238 AromaticContact CE3-CH2 3.78Å; W143-W238 HydrophobicContact CE3-CH2 3.78Å; W143-W238 AromaticContact CE3-CZ2 3.41Å; W143-W238 HydrophobicContact CE3-CZ2 3.41Å; W143-W238 VanDerWaalsContact CE3-CZ2 3.41Å; W143-W238 AromaticContact CZ3-CH2 3.56Å; W143-W238 HydrophobicContact CZ3-CH2 3.56Å; W143-W238 AromaticContact CZ3-CZ2 3.71Å; W143-W238 HydrophobicContact CZ3-CZ2 3.71Å; W143-W238 HydrophobicContact CZ3-CZ3 4.15Å |
| 144 | K | 88.9 | Confident | 85 | Confident | 166 Ų | 166 | 74 Ų | 74 | 72% | 0.722 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -66.4 | -26 | 180 | -69.2 | -173.5 | 176.3 | -175.5 | 0 | 113.6 | T142 | T142-K144 PolarHBondContact O-N 2.84Å; T142-K144 VanDerWaalsContact O-N 3.12Å |
| 145 | D | 88.1 | Confident | 84.7 | Confident | 73 Ų | 73 | 74.4 Ų | 74.4 | 39% | 0.39 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -84.2 | -25.1 | -175.3 | -52.9 | -52.4 | 0 | 0 | 0 | 111.9 | Y141 T142 W143 | Y141-D145 HydrophobicContact CD1-CB 4.31Å; T142-D145 WeakPolarHBondContact CA-OD2 3.49Å; T142-D145 WeakPolarHBondContact CB-OD2 3.25Å; T142-D145 PolarHBondContact N-OD2 3.42Å; T142-D145 PolarHBondContact O-N 3.39Å; T142-D145 PolarHBondContact OG1-OD2 2.83Å; W143-D145 PolarHBondContact O-N 2.96Å |
| 146 | I | 89.1 | Confident | 84.3 | Confident | 5 Ų | 5 | 70.8 Ų | 70.8 | 3% | 0.026 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -112.9 | -15.9 | -173.3 | 65.3 | 172.6 | 0 | 0 | 0 | 113.9 | W143 L223 R224 V234 W238 | W143-I146 HydrophobicContact CE3-CD1 3.99Å; W143-I146 HydrophobicContact CE3-CG1 3.97Å; W143-I146 HydrophobicContact CZ3-CD1 4.32Å; W143-I146 HydrophobicContact CZ3-CG1 4.32Å; W143-I146 PolarHBondContact O-N 3.13Å; I146-L223 CarbonylContact O-C 3.54Å; I146-L223 WeakPolarHBondContact O-CA 3.47Å; I146-R224 PolarHBondContact O-N 2.72Å; I146-V234 HydrophobicContact CG2-CG1 3.86Å; I146-W238 HydrophobicContact CD1-CB 3.74Å; I146-W238 HydrophobicContact CD1-CD2 3.25Å; I146-W238 VanDerWaalsContact CD1-CE2 3.41Å; I146-W238 HydrophobicContact CD1-CE3 4.01Å; I146-W238 HydrophobicContact CD1-CG 3.08Å; I146-W238 HydrophobicContact CD1-CZ2 4.24Å; I146-W238 VanDerWaalsContact CD1-NE1 3.32Å |
| 147 | C | 89.8 | Confident | 84 | Confident | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.014 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | -65.5 | 150.5 | -178.5 | 69.4 | 0 | 0 | 0 | 0 | 109.7 | W143 S149 C155 | W143-C147 HydrophobicContact CD2-CB 3.99Å; W143-C147 HydrophobicContact CE3-CB 4.32Å; W143-C147 HydrophobicContact CH2-CB 3.9Å; W143-C147 HydrophobicContact CZ2-CB 3.56Å; W143-C147 HydrophobicContact CZ3-CB 4.28Å; W143-C147 WeakPolarHBondContact O-CB 3.49Å; W143-C147 PolarHBondContact O-N 2.89Å; C147-S149 PolarHBondContact O-N 3.16Å; C147-C155 HydrophobicContact CB-CB 3.62Å; C147-C155 WeakPolarHBondContact CB-SG 3.16Å; C147-C155 WeakPolarHBondContact SG-CA 3.18Å; C147-C155 WeakPolarHBondContact SG-CB 3.5Å; C147-C155 CovalentContact SG-SG 2.02Å; C147-C155 PolarHBondContact SG-SG 3.22Å |
| 148 | F | 84.6 | Confident | 84 | Confident | 48 Ų | 48 | 63 Ų | 63 | 21% | 0.211 | 34% | 0.344 | C | S | . | . | trans | -64.5 | 105.6 | 166.6 | -176.2 | -91 | 0 | 0 | 0 | 108.1 | V86 A156 F222 | V86-F148 HydrophobicContact CG2-CD1 3.7Å; V86-F148 HydrophobicContact CG2-CE1 3.36Å; V86-F148 HydrophobicContact CG2-CZ 4.07Å; F148-A156 HydrophobicContact CD1-CB 3.8Å; F148-A156 PolarHBondContact O-N 2.96Å; F148-F222 HydrophobicContact CB-CB 3.98Å; F148-F222 PolarHBondContact N-O 2.91Å | ||
| 149 | S | 80.1 | Confident | 84.1 | Confident | 44 Ų | 44 | 58.4 Ų | 58.4 | 31% | 0.308 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -103.5 | 152.6 | -176.4 | 61.2 | 0 | 0 | 0 | 0 | 111.9 | C147 I154 | C147-S149 PolarHBondContact O-N 3.16Å; S149-I154 CarbonylContact C-O 3.6Å; S149-I154 VanDerWaalsContact CA-O 3.24Å; S149-I154 WeakPolarHBondContact CA-O 3.45Å |
| 150 | T | 69.4 | Low | 84 | Confident | 13 Ų | 13 | 56.6 Ų | 56.6 | 8% | 0.08 | 30% | 0.295 | C | S | . | . | trans | -72.6 | 166.4 | 170.6 | 66.2 | 0 | 0 | 0 | 0 | 109.7 | K83 E152 G153 I154 | K83-T150 HydrophobicContact CD-CG2 3.31Å; K83-T150 HydrophobicContact CG-CG2 3.78Å; K83-T150 VanDerWaalsContact NZ-CG2 3.27Å; T150-E152 PolarHBondContact O-N 3.03Å; T150-E152 PolarHBondContact OG1-N 2.86Å; T150-G153 WeakPolarHBondContact O-CA 3.31Å; T150-G153 PolarHBondContact O-N 3.48Å; T150-I154 HydrophobicContact CG2-CB 4.45Å; T150-I154 VanDerWaalsContact CG2-O 3.31Å; T150-I154 WeakPolarHBondContact CG2-O 3.42Å; T150-I154 PolarHBondContact N-O 2.77Å; T150-I154 PolarHBondContact OG1-N 2.9Å; T150-I154 PolarHBondContact OG1-O 2.81Å | ||
| 151 | E | 67.3 | Low | 83.9 | Confident | 212 Ų | 212 | 50.9 Ų | 50.9 | 99% | 0.991 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -25.6 | 172.6 | -64.6 | -172.8 | 161.8 | 0 | 0 | 112.8 | G153 | E151-G153 VanDerWaalsContact C-N 3.27Å; E151-G153 PolarHBondContact O-N 3.21Å |
| 152 | E | 69.9 | Low | 83.7 | Confident | 150 Ų | 150 | 53.5 Ų | 53.5 | 70% | 0.701 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 1 | 175.2 | -58.3 | 173.5 | 152.3 | 0 | 0 | 114.1 | T150 I154 | T150-E152 PolarHBondContact O-N 3.03Å; T150-E152 PolarHBondContact OG1-N 2.86Å; E152-I154 HydrophobicContact CB-CD1 4.38Å; E152-I154 HydrophobicContact CB-CG1 4.38Å |
| 153 | G | 75 | Confident | 83.6 | Confident | 55 Ų | 55 | 53 Ų | 53 | 57% | 0.567 | 28% | 0.279 | S | S | * | . | S | Bend | trans | 77.4 | 15.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | T150 E151 | T150-G153 WeakPolarHBondContact O-CA 3.31Å; T150-G153 PolarHBondContact O-N 3.48Å; E151-G153 VanDerWaalsContact C-N 3.27Å; E151-G153 PolarHBondContact O-N 3.21Å |
| 154 | I | 81.7 | Confident | 83.7 | Confident | 88 Ų | 88 | 52.5 Ų | 52.5 | 45% | 0.451 | 28% | 0.277 | S | S | . | . | trans | -92.4 | 129.3 | 179.2 | -56.5 | 173.9 | 0 | 0 | 0 | 108.8 | S149 T150 E152 A156 | S149-I154 CarbonylContact C-O 3.6Å; S149-I154 VanDerWaalsContact CA-O 3.24Å; S149-I154 WeakPolarHBondContact CA-O 3.45Å; T150-I154 HydrophobicContact CG2-CB 4.45Å; T150-I154 VanDerWaalsContact CG2-O 3.31Å; T150-I154 WeakPolarHBondContact CG2-O 3.42Å; T150-I154 PolarHBondContact N-O 2.77Å; T150-I154 PolarHBondContact OG1-N 2.9Å; T150-I154 PolarHBondContact OG1-O 2.81Å; E152-I154 HydrophobicContact CB-CD1 4.38Å; E152-I154 HydrophobicContact CB-CG1 4.38Å; I154-A156 PolarHBondContact O-N 2.83Å | ||
| 155 | C | 86.5 | Confident | 83.7 | Confident | 22 Ų | 22 | 46.5 Ų | 46.5 | 15% | 0.149 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -64.2 | 134.9 | 175.3 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | C147 E157 | C147-C155 HydrophobicContact CB-CB 3.62Å; C147-C155 WeakPolarHBondContact CB-SG 3.16Å; C147-C155 WeakPolarHBondContact SG-CA 3.18Å; C147-C155 WeakPolarHBondContact SG-CB 3.5Å; C147-C155 CovalentContact SG-SG 2.02Å; C147-C155 PolarHBondContact SG-SG 3.22Å; C155-E157 HydrophobicContact CB-CG 4.27Å; C155-E157 PolarHBondContact O-N 2.96Å; C155-E157 VanDerWaalsContact O-N 3.14Å |
| 156 | A | 80.3 | Confident | 83.7 | Confident | 14 Ų | 14 | 49.5 Ų | 49.5 | 12% | 0.116 | 27% | 0.27 | C | S | . | . | trans | -70.4 | 107.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V86 F148 I154 | V86-A156 HydrophobicContact CG1-CB 4.39Å; V86-A156 HydrophobicContact CG2-CB 4.42Å; F148-A156 HydrophobicContact CD1-CB 3.8Å; F148-A156 PolarHBondContact O-N 2.96Å; I154-A156 PolarHBondContact O-N 2.83Å | ||
| 157 | E | 84.2 | Confident | 83.8 | Confident | 33 Ų | 33 | 50.5 Ų | 50.5 | 15% | 0.154 | 28% | 0.275 | C | S | . | . | trans | -133.6 | 151.2 | -179 | -64.5 | -178.6 | -179.3 | 0 | 0 | 110.4 | K130 W143 C155 | K130-E157 WeakPolarHBondContact CE-OE1 3.49Å; K130-E157 IonicContact NZ-OE1 3.09Å; K130-E157 PolarHBondContact NZ-OE1 3.17Å; K130-E157 IonicContact NZ-OE2 2.67Å; K130-E157 PolarHBondContact NZ-OE2 2.75Å; W143-E157 PolarHBondContact NE1-OE1 3.01Å; W143-E157 VanDerWaalsContact NE1-OE1 3.12Å; C155-E157 HydrophobicContact CB-CG 4.27Å; C155-E157 PolarHBondContact O-N 2.96Å; C155-E157 VanDerWaalsContact O-N 3.14Å | ||
| 158 | H | 86.4 | Confident | 83.6 | Confident | 8 Ų | 8 | 54.2 Ų | 54.2 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | trans | -69.8 | 139.7 | 175 | -172.9 | -82.2 | 0 | 0 | 0 | 109.6 | F87 L160 T161 Q162 D194 N195 I198 | F87-H158 HydrophobicContact CE1-CB 4.05Å; F87-H158 HydrophobicContact CZ-CB 4.03Å; H158-L160 VanDerWaalsContact C-N 3.28Å; H158-L160 WeakPolarHBondContact ND1-CB 3.5Å; H158-L160 PolarHBondContact ND1-N 2.8Å; H158-L160 VanDerWaalsContact ND1-N 3.16Å; H158-L160 PolarHBondContact O-N 3.47Å; H158-L160 VanDerWaalsContact O-N 3.13Å; H158-T161 WeakPolarHBondContact O-CA 3.36Å; H158-T161 WeakPolarHBondContact O-CB 3.31Å; H158-T161 PolarHBondContact O-N 3.13Å; H158-Q162 PolarHBondContact O-N 2.62Å; H158-D194 PolarHBondContact NE2-O 3.01Å; H158-N195 PolarHBondContact CE1-OD1 2.94Å; H158-I198 HydrophobicContact CB-CD1 3.91Å; H158-I198 HydrophobicContact CB-CG1 4Å; H158-I198 VanDerWaalsContact CG-CG1 3.43Å | ||
| 159 | P | 87.2 | Confident | 83.6 | Confident | 36 Ų | 36 | 59.1 Ų | 59.1 | 23% | 0.234 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -50.2 | -43 | -178 | -32.9 | 38.3 | 0 | 0 | 0 | 114.1 | T161 Q162 T163 I188 V193 | P159-T161 VanDerWaalsContact C-N 3.33Å; P159-T161 PolarHBondContact O-N 3.45Å; P159-Q162 PolarHBondContact O-N 3.21Å; P159-T163 PolarHBondContact O-N 2.97Å; P159-T163 PolarHBondContact O-OG1 3.25Å; P159-I188 HydrophobicContact CB-CD1 4.44Å; P159-V193 HydrophobicContact CB-CG1 4.41Å; P159-V193 HydrophobicContact CG-CG1 3.8Å; P159-V193 HydrophobicContact CG-CG2 3.95Å |
| 160 | L | 89.1 | Confident | 84 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.2 | -43 | 173.4 | -67.7 | 172.2 | 0 | 0 | 0 | 113.6 | H158 L164 M177 L180 L181 N195 I198 L199 M217 | H158-L160 VanDerWaalsContact C-N 3.28Å; H158-L160 WeakPolarHBondContact ND1-CB 3.5Å; H158-L160 PolarHBondContact ND1-N 2.8Å; H158-L160 VanDerWaalsContact ND1-N 3.16Å; H158-L160 PolarHBondContact O-N 3.47Å; H158-L160 VanDerWaalsContact O-N 3.13Å; L160-L164 WeakPolarHBondContact O-CB 3.3Å; L160-L164 VanDerWaalsContact O-CG 3.25Å; L160-L164 WeakPolarHBondContact O-CG 3.18Å; L160-L164 PolarHBondContact O-N 3.4Å; L160-M177 HydrophobicContact CB-CE 4.33Å; L160-M177 HydrophobicContact CD2-CE 3.49Å; L160-M177 VanDerWaalsContact CD2-CE 3.49Å; L160-L180 HydrophobicContact CD2-CB 3.65Å; L160-L180 HydrophobicContact CD2-CD1 4.4Å; L160-L181 HydrophobicContact CD2-CD2 4.16Å; L160-N195 WeakPolarHBondContact CD1-OD1 3.26Å; L160-I198 HydrophobicContact CB-CG2 4.48Å; L160-I198 HydrophobicContact CD1-CB 4.23Å; L160-I198 HydrophobicContact CD1-CG2 3.81Å; L160-L199 HydrophobicContact CD1-CD1 4.09Å; L160-L199 HydrophobicContact CD1-CG 4.21Å; L160-M217 HydrophobicContact CB-CE 4.18Å |
| 161 | T | 89.2 | Confident | 84.5 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.012 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.7 | -41.6 | 178.4 | -55.6 | 0 | 0 | 0 | 0 | 110.9 | I126 H158 P159 L164 T165 I219 | I126-T161 HydrophobicContact CD1-CG2 3.88Å; I126-T161 HydrophobicContact CG1-CG2 4.22Å; I126-T161 HydrophobicContact CG2-CG2 4.11Å; H158-T161 WeakPolarHBondContact O-CA 3.36Å; H158-T161 WeakPolarHBondContact O-CB 3.31Å; H158-T161 PolarHBondContact O-N 3.13Å; P159-T161 VanDerWaalsContact C-N 3.33Å; P159-T161 PolarHBondContact O-N 3.45Å; T161-L164 PolarHBondContact O-N 3.23Å; T161-T165 PolarHBondContact O-N 2.95Å; T161-T165 PolarHBondContact O-OG1 2.95Å; T161-I219 HydrophobicContact CG2-CG2 4.3Å |
| 162 | Q | 88.4 | Confident | 85.4 | Confident | 96 Ų | 96 | 62.4 Ų | 62.4 | 45% | 0.449 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.6 | -48.5 | 177.4 | -168.9 | -179.7 | 11 | 0 | 0 | 110.7 | H158 P159 L164 T165 L166 | H158-Q162 PolarHBondContact O-N 2.62Å; P159-Q162 PolarHBondContact O-N 3.21Å; Q162-L164 PolarHBondContact O-N 2.93Å; Q162-T165 WeakPolarHBondContact O-CB 3.29Å; Q162-T165 PolarHBondContact O-N 3.13Å; Q162-T165 VanDerWaalsContact O-N 3.12Å; Q162-L166 WeakPolarHBondContact O-CG 3.29Å; Q162-L166 PolarHBondContact O-N 3.13Å; Q162-L166 VanDerWaalsContact O-N 3.12Å |
| 163 | T | 90 | Very high | 86.4 | Confident | 33 Ų | 33 | 55.3 Ų | 55.3 | 20% | 0.202 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.6 | -42 | 177.5 | -51.6 | 0 | 0 | 0 | 0 | 112 | P159 T165 L166 L167 M177 L180 | P159-T163 PolarHBondContact O-N 2.97Å; P159-T163 PolarHBondContact O-OG1 3.25Å; T163-T165 PolarHBondContact O-N 2.94Å; T163-L166 PolarHBondContact O-N 3.14Å; T163-L166 VanDerWaalsContact O-N 3.12Å; T163-L167 HydrophobicContact CG2-CD1 3.76Å; T163-L167 HydrophobicContact CG2-CG 4.2Å; T163-L167 WeakPolarHBondContact O-CG 3.5Å; T163-L167 PolarHBondContact O-N 3.24Å; T163-M177 HydrophobicContact CG2-SD 3.52Å; T163-M177 VanDerWaalsContact CG2-SD 3.52Å; T163-L180 HydrophobicContact CG2-CD1 3.84Å; T163-L180 VanDerWaalsContact OG1-CD1 3.25Å; T163-L180 WeakPolarHBondContact OG1-CD1 3.5Å |
| 164 | L | 92 | Very high | 87 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.1 | -31.9 | 174.9 | -79.3 | 173.2 | 0 | 0 | 0 | 113.1 | L119 A122 S123 I126 L160 T161 Q162 I173 M177 M217 | L119-L164 HydrophobicContact CB-CD2 4.19Å; L119-L164 HydrophobicContact CD2-CD2 4.04Å; A122-L164 HydrophobicContact CB-CD1 3.83Å; S123-L164 WeakPolarHBondContact CB-O 3.12Å; S123-L164 PolarHBondContact OG-O 3.41Å; I126-L164 HydrophobicContact CD1-CB 3.81Å; I126-L164 HydrophobicContact CD1-CD1 3.87Å; L160-L164 WeakPolarHBondContact O-CB 3.3Å; L160-L164 VanDerWaalsContact O-CG 3.25Å; L160-L164 WeakPolarHBondContact O-CG 3.18Å; L160-L164 PolarHBondContact O-N 3.4Å; T161-L164 PolarHBondContact O-N 3.23Å; Q162-L164 PolarHBondContact O-N 2.93Å; L164-I173 HydrophobicContact CD2-CG2 4.02Å; L164-M177 HydrophobicContact CD1-CE 4.5Å; L164-M177 HydrophobicContact CD2-CE 4.18Å; L164-M177 HydrophobicContact CD2-CG 4.38Å; L164-M177 HydrophobicContact CD2-SD 4.17Å; L164-M177 HydrophobicContact CG-CE 3.91Å; L164-M177 HydrophobicContact CG-SD 4.19Å; L164-M217 HydrophobicContact CD1-CE 3.59Å; L164-M217 HydrophobicContact CD1-SD 4.05Å |
| 165 | T | 89.4 | Confident | 87.3 | Confident | 40 Ų | 40 | 53.3 Ų | 53.3 | 25% | 0.245 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.3 | -41.6 | 175 | -50.5 | 0 | 0 | 0 | 0 | 110.9 | I126 K130 T161 Q162 T163 | I126-T165 WeakPolarHBondContact CG2-OG1 3.41Å; K130-T165 HydrophobicContact CD-CG2 4.03Å; K130-T165 PolarHBondContact NZ-OG1 2.75Å; T161-T165 PolarHBondContact O-N 2.95Å; T161-T165 PolarHBondContact O-OG1 2.95Å; Q162-T165 WeakPolarHBondContact O-CB 3.29Å; Q162-T165 PolarHBondContact O-N 3.13Å; Q162-T165 VanDerWaalsContact O-N 3.12Å; T163-T165 PolarHBondContact O-N 2.94Å |
| 166 | L | 89.2 | Confident | 87.3 | Confident | 136 Ų | 136 | 54.9 Ų | 54.9 | 71% | 0.712 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -68 | -34.3 | 179.5 | -66.1 | 172.8 | 0 | 0 | 0 | 112.6 | Q162 T163 K168 | Q162-L166 WeakPolarHBondContact O-CG 3.29Å; Q162-L166 PolarHBondContact O-N 3.13Å; Q162-L166 VanDerWaalsContact O-N 3.12Å; T163-L166 PolarHBondContact O-N 3.14Å; T163-L166 VanDerWaalsContact O-N 3.12Å; L166-K168 VanDerWaalsContact C-N 3.29Å; L166-K168 PolarHBondContact O-N 3.38Å |
| 167 | L | 90 | Very high | 87.7 | Confident | 26 Ų | 26 | 54.3 Ų | 54.3 | 14% | 0.136 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 10.9 | -177 | -64.3 | 177 | 0 | 0 | 0 | 114.4 | T163 N169 T170 I173 M177 | T163-L167 HydrophobicContact CG2-CD1 3.76Å; T163-L167 HydrophobicContact CG2-CG 4.2Å; T163-L167 WeakPolarHBondContact O-CG 3.5Å; T163-L167 PolarHBondContact O-N 3.24Å; L167-N169 PolarHBondContact O-N 3.3Å; L167-N169 VanDerWaalsContact O-N 3.1Å; L167-T170 WeakPolarHBondContact O-CB 3.43Å; L167-T170 PolarHBondContact O-N 3.47Å; L167-T170 PolarHBondContact O-OG1 2.63Å; L167-I173 HydrophobicContact CB-CG1 4.49Å; L167-I173 HydrophobicContact CB-CG2 4.25Å; L167-I173 HydrophobicContact CD1-CG2 4.05Å; L167-M177 HydrophobicContact CD1-CG 4.01Å; L167-M177 HydrophobicContact CD1-SD 4.03Å |
| 168 | K | 85.6 | Confident | 87.8 | Confident | 81 Ų | 81 | 59.4 Ų | 59.4 | 35% | 0.352 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -41.9 | -176.1 | -173.4 | -171.4 | -174.5 | -177 | 0 | 113.7 | S123 S127 E131 L166 | S123-K168 WeakPolarHBondContact OG-CA 3.15Å; S127-K168 VanDerWaalsContact CB-CE 3.49Å; S127-K168 VanDerWaalsContact OG-CD 3.29Å; S127-K168 WeakPolarHBondContact OG-CD 3.23Å; S127-K168 WeakPolarHBondContact OG-CE 3.22Å; E131-K168 IonicContact OE1-NZ 3.35Å; E131-K168 PolarHBondContact OE1-NZ 2.78Å; E131-K168 IonicContact OE2-NZ 3.98Å; L166-K168 VanDerWaalsContact C-N 3.29Å; L166-K168 PolarHBondContact O-N 3.38Å |
| 169 | N | 85.3 | Confident | 87.8 | Confident | 151 Ų | 151 | 62.9 Ų | 62.9 | 81% | 0.807 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 7.3 | -174.3 | -64.1 | -25.2 | 0 | 0 | 0 | 113.7 | L167 | L167-N169 PolarHBondContact O-N 3.3Å; L167-N169 VanDerWaalsContact O-N 3.1Å |
| 170 | T | 87.4 | Confident | 87.7 | Confident | 54 Ų | 54 | 62.4 Ų | 62.4 | 33% | 0.331 | 33% | 0.333 | S | S | . | . | trans | -84.7 | 134 | -176.8 | -50 | 0 | 0 | 0 | 0 | 110.9 | L167 H172 | L167-T170 WeakPolarHBondContact O-CB 3.43Å; L167-T170 PolarHBondContact O-N 3.47Å; L167-T170 PolarHBondContact O-OG1 2.63Å; T170-H172 VanDerWaalsContact C-N 3.3Å; T170-H172 PolarHBondContact O-N 3.3Å | ||
| 171 | H | 81.4 | Confident | 87.7 | Confident | 156 Ų | 156 | 63.1 Ų | 63.1 | 72% | 0.722 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -64.5 | -32 | 179.4 | -78.1 | -65.3 | 0 | 0 | 0 | 113.9 | R120 | R120-H171 PolarHBondContact NH2-O 2.87Š|
| 172 | H | 86.3 | Confident | 87.7 | Confident | 128 Ų | 128 | 67.1 Ų | 67.1 | 59% | 0.593 | 35% | 0.352 | S | S | * | . | trans | -128.1 | 98.5 | -179.6 | -62.5 | -63.6 | 0 | 0 | 0 | 110.5 | E116 T170 P175 S176 | E116-H172 WeakPolarHBondContact OE1-CA 3.25Å; T170-H172 VanDerWaalsContact C-N 3.3Å; T170-H172 PolarHBondContact O-N 3.3Å; H172-P175 HydrophobicContact CB-CG 4.14Å; H172-S176 PolarHBondContact O-OG 3.22Å | ||
| 173 | I | 89.6 | Confident | 87.6 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -83.3 | -39.7 | -176.9 | -58.6 | 174.8 | 0 | 0 | 0 | 110.6 | E116 L119 R120 L164 L167 S176 M177 | E116-I173 PolarHBondContact OE1-N 2.97Å; E116-I173 PolarHBondContact OE2-N 2.85Å; L119-I173 HydrophobicContact CB-CB 4.37Å; L119-I173 HydrophobicContact CB-CG2 3.87Å; L119-I173 HydrophobicContact CD1-CG2 4.36Å; R120-I173 HydrophobicContact CB-CD1 4.1Å; R120-I173 HydrophobicContact CG-CD1 4.39Å; L164-I173 HydrophobicContact CD2-CG2 4.02Å; L167-I173 HydrophobicContact CB-CG1 4.49Å; L167-I173 HydrophobicContact CB-CG2 4.25Å; L167-I173 HydrophobicContact CD1-CG2 4.05Å; I173-S176 PolarHBondContact O-N 2.99Å; I173-M177 HydrophobicContact CG2-CG 3.85Å; I173-M177 WeakPolarHBondContact O-CG 3.26Å; I173-M177 PolarHBondContact O-N 3.23Å |
| 174 | A | 87.2 | Confident | 87.3 | Confident | 25 Ų | 25 | 63.3 Ų | 63.3 | 21% | 0.207 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.9 | -45 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E116 L119 S176 M177 Q178 | E116-A174 HydrophobicContact CB-CB 4.49Å; E116-A174 WeakPolarHBondContact OE2-CB 3.14Å; E116-A174 PolarHBondContact OE2-N 3.3Å; L119-A174 HydrophobicContact CD1-CB 3.88Å; A174-S176 VanDerWaalsContact C-N 3.27Å; A174-S176 PolarHBondContact O-N 3.22Å; A174-M177 PolarHBondContact O-N 3.48Å; A174-Q178 PolarHBondContact O-N 3.31Å |
| 175 | P | 88.6 | Confident | 86.9 | Confident | 75 Ų | 75 | 65.3 Ų | 65.3 | 49% | 0.487 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62 | -36.4 | 177.1 | -22.3 | 34.5 | 0 | 0 | 0 | 112.7 | H172 Q178 | H172-P175 HydrophobicContact CB-CG 4.14Å; P175-Q178 WeakPolarHBondContact O-CB 3.48Å; P175-Q178 PolarHBondContact O-N 3.46Å |
| 176 | S | 87.1 | Confident | 86.7 | Confident | 56 Ų | 56 | 64.6 Ų | 64.6 | 39% | 0.392 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -72.6 | -29.8 | 179.6 | -53.6 | 0 | 0 | 0 | 0 | 112.3 | H172 I173 A174 P179 | H172-S176 PolarHBondContact O-OG 3.22Å; I173-S176 PolarHBondContact O-N 2.99Å; A174-S176 VanDerWaalsContact C-N 3.27Å; A174-S176 PolarHBondContact O-N 3.22Å; S176-P179 WeakPolarHBondContact O-CD 3.26Å |
| 177 | M | 88.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -81.3 | -23.7 | 176.2 | -72.6 | -66.5 | -67.6 | 0 | 0 | 113 | L119 L160 T163 L164 L167 I173 A174 P179 L180 L181 | L119-M177 HydrophobicContact CD1-CB 4.2Å; L119-M177 HydrophobicContact CD1-CG 4.21Å; L160-M177 HydrophobicContact CB-CE 4.33Å; L160-M177 HydrophobicContact CD2-CE 3.49Å; L160-M177 VanDerWaalsContact CD2-CE 3.49Å; T163-M177 HydrophobicContact CG2-SD 3.52Å; T163-M177 VanDerWaalsContact CG2-SD 3.52Å; L164-M177 HydrophobicContact CD1-CE 4.5Å; L164-M177 HydrophobicContact CD2-CE 4.18Å; L164-M177 HydrophobicContact CD2-CG 4.38Å; L164-M177 HydrophobicContact CD2-SD 4.17Å; L164-M177 HydrophobicContact CG-CE 3.91Å; L164-M177 HydrophobicContact CG-SD 4.19Å; L167-M177 HydrophobicContact CD1-CG 4.01Å; L167-M177 HydrophobicContact CD1-SD 4.03Å; I173-M177 HydrophobicContact CG2-CG 3.85Å; I173-M177 WeakPolarHBondContact O-CG 3.26Å; I173-M177 PolarHBondContact O-N 3.23Å; A174-M177 PolarHBondContact O-N 3.48Å; M177-P179 VanDerWaalsContact C-N 3.32Å; M177-P179 VanDerWaalsContact O-N 3.14Å; M177-L180 WeakPolarHBondContact O-CB 3.31Å; M177-L180 PolarHBondContact O-N 3.44Å; M177-L180 HydrophobicContact SD-CD1 4.42Å; M177-L181 HydrophobicContact CB-CD1 4.36Å; M177-L181 WeakPolarHBondContact O-CG 3.12Å |
| 178 | Q | 85.7 | Confident | 85.7 | Confident | 140 Ų | 140 | 63.1 Ų | 63.1 | 65% | 0.654 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -48.9 | -40.6 | -174.2 | -171 | 176.5 | -10.2 | 0 | 0 | 114.8 | A174 P175 L180 L181 | A174-Q178 PolarHBondContact O-N 3.31Å; P175-Q178 WeakPolarHBondContact O-CB 3.48Å; P175-Q178 PolarHBondContact O-N 3.46Å; Q178-L180 PolarHBondContact O-N 3.39Å; Q178-L181 PolarHBondContact O-N 2.67Å |
| 179 | P | 86.2 | Confident | 85.1 | Confident | 82 Ų | 82 | 66.3 Ų | 66.3 | 53% | 0.532 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -61.4 | -23.8 | 176.9 | -23.7 | 35.5 | 0 | 0 | 0 | 114.2 | S176 M177 I186 | S176-P179 WeakPolarHBondContact O-CD 3.26Å; M177-P179 VanDerWaalsContact C-N 3.32Å; M177-P179 VanDerWaalsContact O-N 3.14Å; P179-I186 WeakPolarHBondContact O-CD1 3.49Å |
| 180 | L | 86.3 | Confident | 84.1 | Confident | 26 Ų | 26 | 61.3 Ų | 61.3 | 14% | 0.136 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -94.3 | -9.7 | -177.5 | -57.7 | 176 | 0 | 0 | 0 | 113.3 | L160 T163 M177 Q178 Y182 I188 N195 | L160-L180 HydrophobicContact CD2-CB 3.65Å; L160-L180 HydrophobicContact CD2-CD1 4.4Å; T163-L180 HydrophobicContact CG2-CD1 3.84Å; T163-L180 VanDerWaalsContact OG1-CD1 3.25Å; T163-L180 WeakPolarHBondContact OG1-CD1 3.5Å; M177-L180 WeakPolarHBondContact O-CB 3.31Å; M177-L180 PolarHBondContact O-N 3.44Å; M177-L180 HydrophobicContact SD-CD1 4.42Å; Q178-L180 PolarHBondContact O-N 3.39Å; L180-Y182 PolarHBondContact O-N 3.07Å; L180-Y182 VanDerWaalsContact O-N 3.13Å; L180-I188 HydrophobicContact CD2-CD1 3.41Å; L180-I188 VanDerWaalsContact CD2-CD1 3.41Å; L180-I188 HydrophobicContact CD2-CG1 4.33Å; L180-N195 PolarHBondContact O-ND2 3.32Å |
| 181 | L | 87.8 | Confident | 83.3 | Confident | 16 Ų | 16 | 63 Ų | 63 | 8% | 0.084 | 35% | 0.347 | C | S | . | . | trans | -90.3 | 65 | -172 | -64.3 | 179.6 | 0 | 0 | 0 | 112.3 | I114 L160 M177 Q178 L211 | I114-L181 HydrophobicContact CB-CD1 4.18Å; I114-L181 HydrophobicContact CD1-CD1 4.43Å; I114-L181 HydrophobicContact CG2-CD1 4.3Å; I114-L181 HydrophobicContact CG2-CD2 3.95Å; L160-L181 HydrophobicContact CD2-CD2 4.16Å; M177-L181 HydrophobicContact CB-CD1 4.36Å; M177-L181 WeakPolarHBondContact O-CG 3.12Å; Q178-L181 PolarHBondContact O-N 2.67Å; L181-L211 HydrophobicContact CB-CB 4.17Å; L181-L211 HydrophobicContact CB-CD2 4.25Å; L181-L211 HydrophobicContact CD2-CD2 4.13Å; L181-L211 WeakPolarHBondContact O-CB 3.39Å; L181-L211 PolarHBondContact O-N 3.31Å | ||
| 182 | Y | 89 | Confident | 82.9 | Confident | 86 Ų | 86 | 60 Ų | 60 | 34% | 0.337 | 34% | 0.336 | S | S | . | . | B | Isolated β-bridge | trans | -114.1 | 157.6 | 171.1 | -74 | -96.8 | 0 | 0 | 0 | 111 | L180 I186 N195 D208 | L180-Y182 PolarHBondContact O-N 3.07Å; L180-Y182 VanDerWaalsContact O-N 3.13Å; Y182-I186 HydrophobicContact CD2-CD1 3.81Å; Y182-I186 HydrophobicContact CD2-CG1 4.37Å; Y182-I186 HydrophobicContact CE2-CD1 4.46Å; Y182-N195 PolarHBondContact O-ND2 3.47Å; Y182-D208 WeakPolarHBondContact CE1-O 3.4Å |
| 183 | Y | 86.8 | Confident | 82.7 | Confident | 18 Ų | 18 | 54.8 Ų | 54.8 | 7% | 0.071 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -146.1 | 136.4 | 179.2 | -168.4 | -87.5 | 0 | 0 | 0 | 110.8 | T196 L199 V202 T204 N209 Y547 | Y183-T196 HydrophobicContact CE1-CG2 4.28Å; Y183-T196 HydrophobicContact CE2-CG2 3.89Å; Y183-L199 HydrophobicContact CD2-CB 4.44Å; Y183-L199 HydrophobicContact CE2-CB 4.44Å; Y183-V202 HydrophobicContact CD1-CG2 3.73Å; Y183-V202 HydrophobicContact CD2-CG1 4.06Å; Y183-V202 HydrophobicContact CD2-CG2 4.12Å; Y183-V202 HydrophobicContact CE1-CG2 3.55Å; Y183-V202 HydrophobicContact CE2-CG1 3.98Å; Y183-V202 HydrophobicContact CE2-CG2 3.94Å; Y183-V202 HydrophobicContact CG-CG2 4Å; Y183-T204 HydrophobicContact CD1-CG2 4.42Å; Y183-N209 PolarHBondContact N-O 3.03Å; Y183-Y547 AromaticContact CE1-CD2 3.71Å; Y183-Y547 HydrophobicContact CE1-CD2 3.71Å; Y183-Y547 AromaticContact CE1-CE2 3.52Å; Y183-Y547 HydrophobicContact CE1-CE2 3.52Å; Y183-Y547 AromaticContact CZ-CD2 3.78Å; Y183-Y547 WeakPolarHBondContact OH-CD2 3.32Å |
| 184 | P | 83.7 | Confident | 82.3 | Confident | 31 Ų | 31 | 55.8 Ų | 55.8 | 20% | 0.201 | 32% | 0.319 | C | S | . | . | S | Bend | cis | -81.6 | -28.4 | 6.5 | 30.8 | -34.4 | 0 | 0 | 0 | 114.5 | N195 T196 Y547 | P184-N195 PolarHBondContact O-N 3.43Å; P184-T196 HydrophobicContact CB-CG2 3.39Å; P184-Y547 HydrophobicContact CB-CE1 4.32Å |
| 185 | T | 83.1 | Confident | 82.3 | Confident | 43 Ų | 43 | 54.7 Ų | 54.7 | 26% | 0.264 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 155 | -173.1 | 54.3 | 0 | 0 | 0 | 0 | 112.3 | L192 V193 D194 | T185-L192 HydrophobicContact CG2-CD1 4.34Å; T185-L192 HydrophobicContact CG2-CD2 4.33Å; T185-L192 HydrophobicContact CG2-CG 4.25Å; T185-V193 CarbonylContact C-O 3.59Å; T185-V193 VanDerWaalsContact CA-O 3.23Å; T185-V193 WeakPolarHBondContact CA-O 3.49Å; T185-D194 HydrophobicContact CG2-CB 4.3Å |
| 186 | I | 85.8 | Confident | 82.2 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 12% | 0.123 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144.2 | 171.4 | -174.2 | 175.8 | 0 | 0 | 0 | 110 | P179 Y182 I188 V193 | P179-I186 WeakPolarHBondContact O-CD1 3.49Å; Y182-I186 HydrophobicContact CD2-CD1 3.81Å; Y182-I186 HydrophobicContact CD2-CG1 4.37Å; Y182-I186 HydrophobicContact CE2-CD1 4.46Å; I186-I188 HydrophobicContact CD1-CG1 4.2Å; I186-I188 HydrophobicContact CG1-CG1 4.21Å; I186-I188 HydrophobicContact CG2-CD1 4.13Å; I186-I188 HydrophobicContact CG2-CG1 4.11Å; I186-V193 HydrophobicContact CG2-CB 3.84Å; I186-V193 HydrophobicContact CG2-CG1 4.38Å; I186-V193 PolarHBondContact N-O 3.41Å; I186-V193 PolarHBondContact O-N 3.32Å |
| 187 | S | 79.8 | Confident | 82 | Confident | 84 Ų | 84 | 49.5 Ų | 49.5 | 59% | 0.587 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 116.1 | 170.8 | 170.3 | 0 | 0 | 0 | 0 | 109.7 | F191 | S187-F191 CarbonylContact C-O 3.54Å; S187-F191 WeakPolarHBondContact CA-O 3.28Å |
| 188 | I | 78.3 | Confident | 82.1 | Confident | 48 Ų | 48 | 49.4 Ų | 49.4 | 25% | 0.246 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 116.5 | 176.5 | -54.5 | 176.8 | 0 | 0 | 0 | 107.6 | P159 L180 I186 G190 F191 V193 | P159-I188 HydrophobicContact CB-CD1 4.44Å; L180-I188 HydrophobicContact CD2-CD1 3.41Å; L180-I188 VanDerWaalsContact CD2-CD1 3.41Å; L180-I188 HydrophobicContact CD2-CG1 4.33Å; I186-I188 HydrophobicContact CD1-CG1 4.2Å; I186-I188 HydrophobicContact CG1-CG1 4.21Å; I186-I188 HydrophobicContact CG2-CD1 4.13Å; I186-I188 HydrophobicContact CG2-CG1 4.11Å; I188-G190 PolarHBondContact O-N 3.46Å; I188-F191 PolarHBondContact N-O 2.97Å; I188-F191 WeakPolarHBondContact O-CB 3.48Å; I188-F191 PolarHBondContact O-N 2.93Å; I188-V193 HydrophobicContact CD1-CG2 4.02Å; I188-V193 HydrophobicContact CG1-CG2 4.34Å |
| 189 | D | 72.2 | Confident | 82.4 | Confident | 148 Ų | 148 | 42.9 Ų | 42.9 | 79% | 0.791 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 29.8 | -178.1 | -59.5 | -33.3 | 0 | 0 | 0 | 114.6 | ||
| 190 | G | 65.9 | Low | 82.6 | Confident | 45 Ų | 45 | 39 Ų | 39 | 46% | 0.464 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | -2.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | I188 | I188-G190 PolarHBondContact O-N 3.46Š|
| 191 | F | 68.9 | Low | 82.7 | Confident | 89 Ų | 89 | 39.2 Ų | 39.2 | 39% | 0.39 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 127.7 | 171.1 | -63.7 | -82.5 | 0 | 0 | 0 | 110.6 | S187 I188 V193 R623 | S187-F191 CarbonylContact C-O 3.54Å; S187-F191 WeakPolarHBondContact CA-O 3.28Å; I188-F191 PolarHBondContact N-O 2.97Å; I188-F191 WeakPolarHBondContact O-CB 3.48Å; I188-F191 PolarHBondContact O-N 2.93Å; F191-V193 PolarHBondContact O-N 3.11Å; F191-R623 HydrophobicContact CZ-CG 4.44Å |
| 192 | L | 74.7 | Confident | 82.8 | Confident | 93 Ų | 93 | 40 Ų | 40 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 116.9 | 173.9 | -168.4 | 73.6 | 0 | 0 | 0 | 109.2 | T185 | T185-L192 HydrophobicContact CG2-CD1 4.34Å; T185-L192 HydrophobicContact CG2-CD2 4.33Å; T185-L192 HydrophobicContact CG2-CG 4.25Å |
| 193 | V | 80.8 | Confident | 82.9 | Confident | 19 Ų | 19 | 39 Ų | 39 | 12% | 0.115 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 123.9 | 176.7 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | P159 T185 I186 I188 F191 | P159-V193 HydrophobicContact CB-CG1 4.41Å; P159-V193 HydrophobicContact CG-CG1 3.8Å; P159-V193 HydrophobicContact CG-CG2 3.95Å; T185-V193 CarbonylContact C-O 3.59Å; T185-V193 VanDerWaalsContact CA-O 3.23Å; T185-V193 WeakPolarHBondContact CA-O 3.49Å; I186-V193 HydrophobicContact CG2-CB 3.84Å; I186-V193 HydrophobicContact CG2-CG1 4.38Å; I186-V193 PolarHBondContact N-O 3.41Å; I186-V193 PolarHBondContact O-N 3.32Å; I188-V193 HydrophobicContact CD1-CG2 4.02Å; I188-V193 HydrophobicContact CG1-CG2 4.34Å; F191-V193 PolarHBondContact O-N 3.11Å |
| 194 | D | 81.4 | Confident | 82.9 | Confident | 23 Ų | 23 | 40.7 Ų | 40.7 | 12% | 0.123 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 113.4 | 176.9 | -166.8 | -14.4 | 0 | 0 | 0 | 110.8 | H158 T185 T196 P197 R649 | H158-D194 PolarHBondContact NE2-O 3.01Å; T185-D194 HydrophobicContact CG2-CB 4.3Å; D194-T196 WeakPolarHBondContact OD1-CB 3.19Å; D194-T196 WeakPolarHBondContact OD1-CG2 3.07Å; D194-T196 PolarHBondContact OD1-N 2.85Å; D194-T196 PolarHBondContact OD1-OG1 2.92Å; D194-T196 PolarHBondContact OD2-OG1 3.34Å; D194-P197 WeakPolarHBondContact O-CD 3.19Å; D194-R649 VanDerWaalsContact CG-NH2 3.29Å; D194-R649 IonicContact OD1-NH2 3.9Å; D194-R649 IonicContact OD2-CZ 2.61Å; D194-R649 VanDerWaalsContact OD2-CZ 3.32Å; D194-R649 IonicContact OD2-NE 3.16Å; D194-R649 PolarHBondContact OD2-NE 3.47Å; D194-R649 IonicContact OD2-NH2 3.68Å; D194-R649 PolarHBondContact OD2-NH2 3Å |
| 195 | N | 88.4 | Confident | 83 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.011 | 26% | 0.262 | C | S | . | . | trans | -85.9 | -8.8 | 178.4 | -77.1 | -22.9 | 0 | 0 | 0 | 112.7 | H158 L160 L180 Y182 P184 P197 I198 L199 | H158-N195 PolarHBondContact CE1-OD1 2.94Å; L160-N195 WeakPolarHBondContact CD1-OD1 3.26Å; L180-N195 PolarHBondContact O-ND2 3.32Å; Y182-N195 PolarHBondContact O-ND2 3.47Å; P184-N195 PolarHBondContact O-N 3.43Å; N195-P197 VanDerWaalsContact C-CD 3.4Å; N195-P197 VanDerWaalsContact C-N 3.35Å; N195-I198 PolarHBondContact O-N 2.97Å; N195-I198 VanDerWaalsContact O-N 3.11Å; N195-L199 HydrophobicContact CB-CD1 4.27Å; N195-L199 PolarHBondContact O-N 3.05Å | ||
| 196 | T | 86.2 | Confident | 82.8 | Confident | 7 Ų | 7 | 52.6 Ų | 52.6 | 4% | 0.043 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -34.5 | 178.7 | 66.7 | 0 | 0 | 0 | 0 | 114.2 | Y183 P184 D194 I198 Y547 | Y183-T196 HydrophobicContact CE1-CG2 4.28Å; Y183-T196 HydrophobicContact CE2-CG2 3.89Å; P184-T196 HydrophobicContact CB-CG2 3.39Å; D194-T196 WeakPolarHBondContact OD1-CB 3.19Å; D194-T196 WeakPolarHBondContact OD1-CG2 3.07Å; D194-T196 PolarHBondContact OD1-N 2.85Å; D194-T196 PolarHBondContact OD1-OG1 2.92Å; D194-T196 PolarHBondContact OD2-OG1 3.34Å; T196-I198 PolarHBondContact O-N 2.81Å; T196-Y547 HydrophobicContact CG2-CD1 4.01Å; T196-Y547 HydrophobicContact CG2-CD2 4.02Å; T196-Y547 HydrophobicContact CG2-CG 3.65Å |
| 197 | P | 83.4 | Confident | 82.5 | Confident | 14 Ų | 14 | 57.2 Ų | 57.2 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -12.5 | 177.8 | -15.3 | 32.5 | 0 | 0 | 0 | 113.4 | I90 D194 N195 R218 | I90-P197 HydrophobicContact CD1-CB 3.54Å; I90-P197 HydrophobicContact CD1-CG 3.99Å; D194-P197 WeakPolarHBondContact O-CD 3.19Å; N195-P197 VanDerWaalsContact C-CD 3.4Å; N195-P197 VanDerWaalsContact C-N 3.35Å; P197-R218 VanDerWaalsContact C-NH2 3.32Å; P197-R218 VanDerWaalsContact CB-NH2 3.35Å; P197-R218 PolarHBondContact O-NE 3.19Å; P197-R218 PolarHBondContact O-NH2 2.65Å |
| 198 | I | 89.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -35 | -175.9 | -60.1 | -58.3 | 0 | 0 | 0 | 111.1 | H158 L160 N195 T196 M217 R218 L220 | H158-I198 HydrophobicContact CB-CD1 3.91Å; H158-I198 HydrophobicContact CB-CG1 4Å; H158-I198 VanDerWaalsContact CG-CG1 3.43Å; L160-I198 HydrophobicContact CB-CG2 4.48Å; L160-I198 HydrophobicContact CD1-CB 4.23Å; L160-I198 HydrophobicContact CD1-CG2 3.81Å; N195-I198 PolarHBondContact O-N 2.97Å; N195-I198 VanDerWaalsContact O-N 3.11Å; T196-I198 PolarHBondContact O-N 2.81Å; I198-M217 HydrophobicContact CG2-CE 3.52Å; I198-M217 HydrophobicContact CG2-CG 3.94Å; I198-M217 CarbonylContact O-C 3.57Å; I198-M217 VanDerWaalsContact O-CA 3.25Å; I198-M217 WeakPolarHBondContact O-CA 3.4Å; I198-R218 VanDerWaalsContact CD1-O 3.27Å; I198-R218 WeakPolarHBondContact CD1-O 3.45Å; I198-R218 WeakPolarHBondContact CG2-O 3.33Å; I198-R218 PolarHBondContact O-N 3.12Å; I198-L220 HydrophobicContact CD1-CD1 3.87Å; I198-L220 HydrophobicContact CD1-CG 4.12Å |
| 199 | L | 91.9 | Very high | 82.7 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 126 | -172.5 | -60.9 | 175.6 | 0 | 0 | 0 | 111.9 | I114 L160 Y183 N195 V202 L211 A214 M217 | I114-L199 HydrophobicContact CG2-CD2 4.46Å; L160-L199 HydrophobicContact CD1-CD1 4.09Å; L160-L199 HydrophobicContact CD1-CG 4.21Å; Y183-L199 HydrophobicContact CD2-CB 4.44Å; Y183-L199 HydrophobicContact CE2-CB 4.44Å; N195-L199 HydrophobicContact CB-CD1 4.27Å; N195-L199 PolarHBondContact O-N 3.05Å; L199-V202 HydrophobicContact CB-CG1 3.96Å; L199-L211 HydrophobicContact CD1-CD2 3.58Å; L199-A214 HydrophobicContact CD2-CB 4.22Å; L199-M217 HydrophobicContact CD2-CG 4.31Å |
| 200 | G | 90.1 | Very high | 83.3 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 153.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A215 A216 Y543 | G200-A215 PolarHBondContact O-N 2.77Å; G200-A216 PolarHBondContact N-O 3.28Å; G200-A216 PolarHBondContact O-N 2.91Å; G200-A216 VanDerWaalsContact O-N 3.07Å; G200-Y543 CarbonylContact C-O 3.47Å; G200-Y543 WeakPolarHBondContact CA-O 3.49Å |
| 201 | G | 88.9 | Confident | 84.4 | Confident | 31 Ų | 31 | 50.4 Ų | 50.4 | 32% | 0.32 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 55.8 | 52.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | A215 Y543 | G201-A215 WeakPolarHBondContact O-CB 3.47Å; G201-A215 PolarHBondContact O-N 3.11Å; G201-Y543 PolarHBondContact N-O 3.21Å |
| 202 | V | 90.7 | Very high | 85.3 | Confident | 33 Ų | 33 | 49.4 Ų | 49.4 | 20% | 0.2 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 149.6 | -169.4 | -61.1 | 0 | 0 | 0 | 0 | 113.2 | Y183 L199 L211 R213 A214 | Y183-V202 HydrophobicContact CD1-CG2 3.73Å; Y183-V202 HydrophobicContact CD2-CG1 4.06Å; Y183-V202 HydrophobicContact CD2-CG2 4.12Å; Y183-V202 HydrophobicContact CE1-CG2 3.55Å; Y183-V202 HydrophobicContact CE2-CG1 3.98Å; Y183-V202 HydrophobicContact CE2-CG2 3.94Å; Y183-V202 HydrophobicContact CG-CG2 4Å; L199-V202 HydrophobicContact CB-CG1 3.96Å; V202-L211 HydrophobicContact CB-CD1 3.62Å; V202-L211 HydrophobicContact CG1-CD1 3.65Å; V202-R213 CarbonylContact C-O 3.55Å; V202-R213 VanDerWaalsContact CA-O 3.25Å; V202-R213 WeakPolarHBondContact CA-O 3.43Å; V202-A214 HydrophobicContact CG1-CB 4.13Å |
| 203 | T | 89.7 | Confident | 86.1 | Confident | 64 Ų | 64 | 47.7 Ų | 47.7 | 39% | 0.393 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128.2 | 162.3 | 62.6 | 0 | 0 | 0 | 0 | 109 | T212 R213 | T203-T212 PolarHBondContact O-N 2.75Å; T203-T212 PolarHBondContact O-OG1 3.06Å; T203-T212 PolarHBondContact OG1-OG1 3.32Å; T203-R213 PolarHBondContact N-O 3.04Å; T203-R213 PolarHBondContact O-N 2.97Å; T203-R213 WeakPolarHBondContact OG1-CB 3.35Å |
| 204 | T | 87.9 | Confident | 86.7 | Confident | 54 Ų | 54 | 46.8 Ų | 46.8 | 33% | 0.331 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 153.1 | 178.3 | 54.7 | 0 | 0 | 0 | 0 | 110.7 | Y183 S210 | Y183-T204 HydrophobicContact CD1-CG2 4.42Å; T204-S210 CarbonylContact C-O 3.48Å; T204-S210 VanDerWaalsContact CA-O 3.29Å; T204-S210 WeakPolarHBondContact CA-O 3.46Å |
| 205 | R | 86.4 | Confident | 87.3 | Confident | 132 Ų | 132 | 46.2 Ų | 46.2 | 50% | 0.498 | 25% | 0.251 | S | S | . | . | trans | -77.8 | 129.6 | 167.5 | -171.8 | -175.3 | -71.9 | 156.8 | -4.5 | 108.1 | T207 D208 N209 S210 T212 | R205-T207 WeakPolarHBondContact CD-OG1 3.14Å; R205-T207 WeakPolarHBondContact CG-OG1 2.96Å; R205-T207 PolarHBondContact O-N 2.96Å; R205-T207 VanDerWaalsContact O-N 3.16Å; R205-D208 IonicContact NH1-OD2 3.74Å; R205-N209 WeakPolarHBondContact O-CA 3.2Å; R205-N209 PolarHBondContact O-N 3.06Å; R205-N209 VanDerWaalsContact O-N 3.09Å; R205-S210 WeakPolarHBondContact CB-OG 3.14Å; R205-S210 PolarHBondContact N-O 2.63Å; R205-T212 HydrophobicContact CB-CG2 3.87Å | ||
| 206 | Q | 78.2 | Confident | 87.6 | Confident | 191 Ų | 191 | 46.1 Ų | 46.1 | 89% | 0.893 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22 | -174.7 | -68.4 | -178.4 | -15 | 0 | 0 | 114 | ||
| 207 | T | 79.9 | Confident | 88 | Confident | 121 Ų | 121 | 45.9 Ų | 45.9 | 74% | 0.742 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -38.6 | -173.4 | 51.9 | 0 | 0 | 0 | 0 | 113.6 | R205 | R205-T207 WeakPolarHBondContact CD-OG1 3.14Å; R205-T207 WeakPolarHBondContact CG-OG1 2.96Å; R205-T207 PolarHBondContact O-N 2.96Å; R205-T207 VanDerWaalsContact O-N 3.16Å |
| 208 | D | 80.5 | Confident | 88.4 | Confident | 62 Ų | 62 | 45.8 Ų | 45.8 | 33% | 0.332 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135.6 | 4.3 | -167.1 | 60 | -1.1 | 0 | 0 | 0 | 113.2 | Y182 R205 S210 | Y182-D208 WeakPolarHBondContact CE1-O 3.4Å; R205-D208 IonicContact NH1-OD2 3.74Å; D208-S210 PolarHBondContact O-N 2.83Å; D208-S210 VanDerWaalsContact O-N 3.07Å; D208-S210 WeakPolarHBondContact OD1-CB 3.14Å; D208-S210 PolarHBondContact OD1-N 3.05Å; D208-S210 PolarHBondContact OD1-OG 2.83Å; D208-S210 WeakPolarHBondContact OD2-CB 3.31Å; D208-S210 PolarHBondContact OD2-OG 3.22Å; D208-S210 VanDerWaalsContact OD2-OG 3.13Å |
| 209 | N | 81.1 | Confident | 88.6 | Confident | 89 Ų | 89 | 45.8 Ų | 45.8 | 48% | 0.476 | 25% | 0.247 | S | C | . | . | trans | 54.7 | 20.3 | -171.4 | -63.7 | -32.4 | 0 | 0 | 0 | 113.7 | Y183 R205 | Y183-N209 PolarHBondContact N-O 3.03Å; R205-N209 WeakPolarHBondContact O-CA 3.2Å; R205-N209 PolarHBondContact O-N 3.06Å; R205-N209 VanDerWaalsContact O-N 3.09Å | ||
| 210 | S | 85.8 | Confident | 88.5 | Confident | 17 Ų | 17 | 45.9 Ų | 45.9 | 12% | 0.119 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -67 | 139.1 | 173.1 | 64.1 | 0 | 0 | 0 | 0 | 109.7 | T204 R205 D208 T212 | T204-S210 CarbonylContact C-O 3.48Å; T204-S210 VanDerWaalsContact CA-O 3.29Å; T204-S210 WeakPolarHBondContact CA-O 3.46Å; R205-S210 WeakPolarHBondContact CB-OG 3.14Å; R205-S210 PolarHBondContact N-O 2.63Å; D208-S210 PolarHBondContact O-N 2.83Å; D208-S210 VanDerWaalsContact O-N 3.07Å; D208-S210 WeakPolarHBondContact OD1-CB 3.14Å; D208-S210 PolarHBondContact OD1-N 3.05Å; D208-S210 PolarHBondContact OD1-OG 2.83Å; D208-S210 WeakPolarHBondContact OD2-CB 3.31Å; D208-S210 PolarHBondContact OD2-OG 3.22Å; D208-S210 VanDerWaalsContact OD2-OG 3.13Å; S210-T212 PolarHBondContact O-N 2.6Å |
| 211 | L | 87.7 | Confident | 88.4 | Confident | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.073 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 118.4 | -179.8 | -174.1 | 77.1 | 0 | 0 | 0 | 109.8 | I114 L181 L199 V202 R213 A214 | I114-L211 HydrophobicContact CD1-CD2 3.8Å; I114-L211 HydrophobicContact CD1-CG 3.97Å; I114-L211 HydrophobicContact CG2-CD2 3.87Å; L181-L211 HydrophobicContact CB-CB 4.17Å; L181-L211 HydrophobicContact CB-CD2 4.25Å; L181-L211 HydrophobicContact CD2-CD2 4.13Å; L181-L211 WeakPolarHBondContact O-CB 3.39Å; L181-L211 PolarHBondContact O-N 3.31Å; L199-L211 HydrophobicContact CD1-CD2 3.58Å; V202-L211 HydrophobicContact CB-CD1 3.62Å; V202-L211 HydrophobicContact CG1-CD1 3.65Å; L211-R213 WeakPolarHBondContact CD1-O 3.31Å; L211-A214 HydrophobicContact CD2-CB 4.25Å |
| 212 | T | 87.8 | Confident | 88.3 | Confident | 69 Ų | 69 | 45.1 Ų | 45.1 | 42% | 0.423 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -31.6 | 175.1 | 57.5 | 0 | 0 | 0 | 0 | 111.8 | T203 R205 S210 | T203-T212 PolarHBondContact O-N 2.75Å; T203-T212 PolarHBondContact O-OG1 3.06Å; T203-T212 PolarHBondContact OG1-OG1 3.32Å; R205-T212 HydrophobicContact CB-CG2 3.87Å; S210-T212 PolarHBondContact O-N 2.6Å |
| 213 | R | 91.6 | Very high | 88.2 | Confident | 56 Ų | 56 | 43.7 Ų | 43.7 | 21% | 0.211 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 145.8 | -178.5 | -164.1 | -176.4 | 158.6 | -159.6 | -14.2 | 110.8 | K109 N110 G111 V202 T203 L211 | K109-R213 PolarHBondContact O-NH2 3.05Å; N110-R213 VanDerWaalsContact CA-CZ 3.42Å; N110-R213 VanDerWaalsContact CA-NH2 3.28Å; N110-R213 PolarHBondContact OD1-NH1 3.03Å; G111-R213 PolarHBondContact O-NE 2.71Å; G111-R213 PolarHBondContact O-NH2 3.06Å; G111-R213 VanDerWaalsContact O-NH2 3.16Å; V202-R213 CarbonylContact C-O 3.55Å; V202-R213 VanDerWaalsContact CA-O 3.25Å; V202-R213 WeakPolarHBondContact CA-O 3.43Å; T203-R213 PolarHBondContact N-O 3.04Å; T203-R213 PolarHBondContact O-N 2.97Å; T203-R213 WeakPolarHBondContact OG1-CB 3.35Å; L211-R213 WeakPolarHBondContact CD1-O 3.31Å |
| 214 | A | 93.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 128.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | S112 V113 I114 L199 V202 L211 | S112-A214 CarbonylContact C-O 3.46Å; S112-A214 VanDerWaalsContact CA-O 3.25Å; S112-A214 WeakPolarHBondContact CA-O 3.31Å; S112-A214 PolarHBondContact OG-N 2.94Å; S112-A214 PolarHBondContact OG-O 3.44Å; V113-A214 HydrophobicContact CG2-CB 3.78Å; V113-A214 WeakPolarHBondContact CG2-O 3.37Å; V113-A214 PolarHBondContact N-O 3.01Å; I114-A214 HydrophobicContact CG2-CB 4.16Å; L199-A214 HydrophobicContact CD2-CB 4.22Å; V202-A214 HydrophobicContact CG1-CB 4.13Å; L211-A214 HydrophobicContact CD2-CB 4.25Å |
| 215 | A | 94.2 | Very high | 87.4 | Confident | 11 Ų | 11 | 48 Ų | 48 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -30 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S106 G200 G201 Y543 | S106-A215 PolarHBondContact N-O 2.8Å; G200-A215 PolarHBondContact O-N 2.77Å; G201-A215 WeakPolarHBondContact O-CB 3.47Å; G201-A215 PolarHBondContact O-N 3.11Å; A215-Y543 HydrophobicContact CB-CD1 3.99Å; A215-Y543 HydrophobicContact CB-CE1 3.83Å |
| 216 | A | 94.7 | Very high | 87 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 151.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I103 M104 A105 G200 Y543 F544 | I103-A216 HydrophobicContact CG2-CB 4.16Å; M104-A216 CarbonylContact O-C 3.54Å; M104-A216 VanDerWaalsContact O-CA 3.26Å; M104-A216 WeakPolarHBondContact O-CA 3.33Å; A105-A216 HydrophobicContact CB-CB 4.04Å; G200-A216 PolarHBondContact N-O 3.28Å; G200-A216 PolarHBondContact O-N 2.91Å; G200-A216 VanDerWaalsContact O-N 3.07Å; A216-Y543 HydrophobicContact CB-CD1 3.96Å; A216-Y543 HydrophobicContact CB-CD2 3.85Å; A216-Y543 HydrophobicContact CB-CE1 4.47Å; A216-Y543 HydrophobicContact CB-CE2 4.39Å; A216-Y543 HydrophobicContact CB-CG 3.63Å; A216-F544 HydrophobicContact CB-CE2 4.28Å; A216-F544 HydrophobicContact CB-CZ 4.21Å |
| 217 | M | 94.4 | Very high | 86.9 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 129 | 172.4 | -176.1 | 172.6 | -160 | 0 | 0 | 109 | I103 M104 V113 A122 L160 L164 I198 L199 I219 | I103-M217 WeakPolarHBondContact CA-O 3.25Å; M104-M217 PolarHBondContact N-O 3.46Å; M104-M217 PolarHBondContact O-N 3.16Å; V113-M217 HydrophobicContact CB-CB 4.26Å; V113-M217 HydrophobicContact CG2-CB 3.8Å; A122-M217 HydrophobicContact CB-SD 4.23Å; L160-M217 HydrophobicContact CB-CE 4.18Å; L164-M217 HydrophobicContact CD1-CE 3.59Å; L164-M217 HydrophobicContact CD1-SD 4.05Å; I198-M217 HydrophobicContact CG2-CE 3.52Å; I198-M217 HydrophobicContact CG2-CG 3.94Å; I198-M217 CarbonylContact O-C 3.57Å; I198-M217 VanDerWaalsContact O-CA 3.25Å; I198-M217 WeakPolarHBondContact O-CA 3.4Å; L199-M217 HydrophobicContact CD2-CG 4.31Å; M217-I219 HydrophobicContact CG-CG1 4.48Å |
| 218 | R | 91.9 | Very high | 87.1 | Confident | 11 Ų | 11 | 38.6 Ų | 38.6 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 127.9 | 174 | -176.9 | 169.9 | 63.6 | -176.1 | 3.9 | 109.2 | V102 I103 P197 I198 L220 N540 F544 | V102-R218 CarbonylContact O-C 3.54Å; V102-R218 WeakPolarHBondContact O-CA 3.34Å; I103-R218 HydrophobicContact CG1-CB 4.39Å; I103-R218 HydrophobicContact CG1-CG 4.22Å; P197-R218 VanDerWaalsContact C-NH2 3.32Å; P197-R218 VanDerWaalsContact CB-NH2 3.35Å; P197-R218 PolarHBondContact O-NE 3.19Å; P197-R218 PolarHBondContact O-NH2 2.65Å; I198-R218 VanDerWaalsContact CD1-O 3.27Å; I198-R218 WeakPolarHBondContact CD1-O 3.45Å; I198-R218 WeakPolarHBondContact CG2-O 3.33Å; I198-R218 PolarHBondContact O-N 3.12Å; R218-L220 HydrophobicContact CG-CD2 3.66Å; R218-L220 HydrophobicContact CG-CG 4.22Å; R218-N540 PolarHBondContact NH1-OD1 3.44Å; R218-F544 HydrophobicContact CB-CE1 3.82Å; R218-F544 HydrophobicContact CB-CE2 4.21Å; R218-F544 HydrophobicContact CB-CZ 3.52Å |
| 219 | I | 92.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 122.7 | 179.2 | -52.9 | 175.2 | 0 | 0 | 0 | 106.6 | Y101 V102 L125 I126 T161 M217 F221 | Y101-I219 VanDerWaalsContact CA-O 3.25Å; Y101-I219 WeakPolarHBondContact CA-O 3.49Å; Y101-I219 WeakPolarHBondContact CB-O 3.29Å; V102-I219 PolarHBondContact N-O 3.36Å; V102-I219 PolarHBondContact O-N 2.86Å; L125-I219 HydrophobicContact CD2-CD1 3.79Å; L125-I219 HydrophobicContact CG-CD1 4.4Å; I126-I219 HydrophobicContact CD1-CD1 4.25Å; I126-I219 HydrophobicContact CD1-CG2 4.39Å; I126-I219 HydrophobicContact CG1-CD1 3.91Å; I126-I219 HydrophobicContact CG1-CG2 3.82Å; T161-I219 HydrophobicContact CG2-CG2 4.3Å; M217-I219 HydrophobicContact CG-CG1 4.48Å; I219-F221 HydrophobicContact CB-CE2 4.4Å; I219-F221 HydrophobicContact CG2-CD2 4.27Å; I219-F221 HydrophobicContact CG2-CE2 3.45Å; I219-F221 VanDerWaalsContact CG2-CE2 3.45Å; I219-F221 HydrophobicContact CG2-CZ 3.75Å |
| 220 | L | 89.7 | Confident | 87.4 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 131.3 | -171.8 | -58.1 | 173.9 | 0 | 0 | 0 | 109.7 | F87 I90 L93 L99 I198 R218 F222 | F87-L220 HydrophobicContact CD1-CD1 4.12Å; F87-L220 HydrophobicContact CE1-CD1 4.14Å; I90-L220 HydrophobicContact CD1-CD1 3.9Å; I90-L220 HydrophobicContact CG2-CD1 3.96Å; I90-L220 HydrophobicContact CG2-CD2 4.22Å; L93-L220 HydrophobicContact CD2-CD2 3.77Å; L99-L220 HydrophobicContact CD1-CB 4.18Å; L99-L220 HydrophobicContact CD1-CD2 4.27Å; I198-L220 HydrophobicContact CD1-CD1 3.87Å; I198-L220 HydrophobicContact CD1-CG 4.12Å; R218-L220 HydrophobicContact CG-CD2 3.66Å; R218-L220 HydrophobicContact CG-CG 4.22Å; L220-F222 HydrophobicContact CB-CE2 3.89Å; L220-F222 HydrophobicContact CB-CZ 4.41Å; L220-F222 HydrophobicContact CD1-CE2 4.43Å; L220-F222 HydrophobicContact CD1-CZ 4.43Å |
| 221 | F | 89.7 | Confident | 87.3 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 113.8 | 176 | -66.4 | -84.7 | 0 | 0 | 0 | 109 | L99 V100 I129 K130 W143 I219 W238 F242 | L99-F221 WeakPolarHBondContact CD1-O 3.2Å; V100-F221 HydrophobicContact CB-CB 4.42Å; V100-F221 PolarHBondContact N-O 2.74Å; V100-F221 PolarHBondContact O-N 3.42Å; I129-F221 HydrophobicContact CB-CE1 4.35Å; I129-F221 HydrophobicContact CB-CE2 4.39Å; I129-F221 HydrophobicContact CB-CZ 3.9Å; I129-F221 HydrophobicContact CD1-CE2 3.66Å; I129-F221 HydrophobicContact CD1-CZ 3.87Å; I129-F221 HydrophobicContact CG2-CD1 4.15Å; I129-F221 HydrophobicContact CG2-CD2 4.3Å; I129-F221 HydrophobicContact CG2-CE1 3.71Å; I129-F221 HydrophobicContact CG2-CE2 3.87Å; I129-F221 HydrophobicContact CG2-CG 4.43Å; I129-F221 HydrophobicContact CG2-CZ 3.56Å; K130-F221 HydrophobicContact CG-CE1 4.25Å; W143-F221 HydrophobicContact CH2-CB 3.61Å; W143-F221 AromaticContact CH2-CD1 3.84Å; W143-F221 HydrophobicContact CH2-CD1 3.84Å; W143-F221 HydrophobicContact CH2-CG 4.22Å; W143-F221 HydrophobicContact CZ2-CB 4.2Å; W143-F221 AromaticContact CZ2-CD1 3.69Å; W143-F221 HydrophobicContact CZ2-CD1 3.69Å; W143-F221 HydrophobicContact CZ2-CG 4.45Å; W143-F221 HydrophobicContact CZ3-CB 4.12Å; W143-F221 HydrophobicContact CZ3-CD1 4.28Å; I219-F221 HydrophobicContact CB-CE2 4.4Å; I219-F221 HydrophobicContact CG2-CD2 4.27Å; I219-F221 HydrophobicContact CG2-CE2 3.45Å; I219-F221 VanDerWaalsContact CG2-CE2 3.45Å; I219-F221 HydrophobicContact CG2-CZ 3.75Å; F221-W238 HydrophobicContact CB-CH2 4.41Å; F221-F242 HydrophobicContact CD2-CE2 4.41Å |
| 222 | F | 87 | Confident | 87.1 | Confident | 13 Ų | 13 | 44.4 Ų | 44.4 | 6% | 0.057 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 121.3 | 178.2 | -64.8 | -87.8 | 0 | 0 | 0 | 110.1 | V86 F87 L99 W143 F148 L220 | V86-F222 HydrophobicContact CG1-CB 4.09Å; V86-F222 HydrophobicContact CG1-CD1 3.45Å; V86-F222 VanDerWaalsContact CG1-CD1 3.45Å; V86-F222 HydrophobicContact CG1-CD2 3.67Å; V86-F222 HydrophobicContact CG1-CE1 3.67Å; V86-F222 HydrophobicContact CG1-CE2 3.89Å; V86-F222 HydrophobicContact CG1-CG 3.44Å; V86-F222 VanDerWaalsContact CG1-CG 3.44Å; V86-F222 HydrophobicContact CG1-CZ 3.89Å; V86-F222 VanDerWaalsContact O-CE1 3.26Å; V86-F222 WeakPolarHBondContact O-CE1 3.38Å; F87-F222 AromaticContact CD1-CE2 3.8Å; F87-F222 HydrophobicContact CD1-CE2 3.8Å; F87-F222 AromaticContact CD1-CZ 3.95Å; F87-F222 HydrophobicContact CD1-CZ 3.95Å; F87-F222 HydrophobicContact CE1-CD2 4.4Å; F87-F222 AromaticContact CE1-CE2 3.44Å; F87-F222 HydrophobicContact CE1-CE2 3.44Å; F87-F222 VanDerWaalsContact CE1-CE2 3.44Å; F87-F222 HydrophobicContact CE1-CZ 4.07Å; F87-F222 AromaticContact CZ-CE2 3.92Å; F87-F222 HydrophobicContact CZ-CE2 3.92Å; L99-F222 HydrophobicContact CD1-CD1 3.81Å; L99-F222 HydrophobicContact CD1-CD2 4.36Å; L99-F222 HydrophobicContact CD1-CE1 3.63Å; L99-F222 HydrophobicContact CD1-CE2 4.17Å; L99-F222 HydrophobicContact CD1-CG 4.18Å; L99-F222 HydrophobicContact CD1-CZ 3.82Å; L99-F222 HydrophobicContact CD2-CE1 4.08Å; L99-F222 HydrophobicContact CD2-CZ 4.42Å; L99-F222 HydrophobicContact CG-CE1 4.32Å; W143-F222 WeakPolarHBondContact CH2-O 3.38Å; F148-F222 HydrophobicContact CB-CB 3.98Å; F148-F222 PolarHBondContact N-O 2.91Å; L220-F222 HydrophobicContact CB-CE2 3.89Å; L220-F222 HydrophobicContact CB-CZ 4.41Å; L220-F222 HydrophobicContact CD1-CE2 4.43Å; L220-F222 HydrophobicContact CD1-CZ 4.43Å |
| 223 | L | 87 | Confident | 87.1 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -86 | 151.8 | 173.2 | -67.5 | 86.3 | 0 | 0 | 0 | 109.9 | N98 V100 I146 N235 W238 R239 | N98-L223 HydrophobicContact CB-CB 4.33Å; N98-L223 WeakPolarHBondContact CB-O 3.26Å; N98-L223 WeakPolarHBondContact O-CD1 3.47Å; N98-L223 PolarHBondContact O-N 3.26Å; V100-L223 HydrophobicContact CB-CD1 4.19Å; V100-L223 HydrophobicContact CG2-CD1 3.54Å; I146-L223 CarbonylContact O-C 3.54Å; I146-L223 WeakPolarHBondContact O-CA 3.47Å; L223-N235 HydrophobicContact CD2-CB 4.12Å; L223-W238 HydrophobicContact CD1-CE3 4.47Å; L223-W238 HydrophobicContact CD1-CZ3 4.13Å; L223-W238 HydrophobicContact CD2-CE3 4Å; L223-W238 HydrophobicContact CD2-CZ3 4.45Å; L223-W238 HydrophobicContact CG-CE3 4.46Å; L223-W238 HydrophobicContact CG-CZ3 4.47Å; L223-R239 HydrophobicContact CD2-CG 4.2Å |
| 224 | R | 84.5 | Confident | 87 | Confident | 89 Ų | 89 | 41 Ų | 41 | 34% | 0.336 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -65.2 | 144.3 | 169 | -171.9 | 177.6 | 69 | -163.1 | 0.5 | 109.8 | I146 D231 N235 | I146-R224 PolarHBondContact O-N 2.72Å; R224-D231 IonicContact CZ-OD1 3.48Å; R224-D231 IonicContact NH2-OD1 2.62Å; R224-D231 PolarHBondContact NH2-OD1 3.11Å; R224-N235 PolarHBondContact O-ND2 2.83Å |
| 225 | E | 76.7 | Confident | 86.8 | Confident | 119 Ų | 119 | 41.5 Ų | 41.5 | 56% | 0.556 | 22% | 0.221 | S | C | * | . | P | Polyproline II helix | trans | -64.2 | 139.4 | 171.8 | -167.6 | 162.2 | -154.4 | 0 | 0 | 110.4 | N98 H227 | N98-E225 WeakPolarHBondContact ND2-CA 3.49Å; E225-H227 PolarHBondContact O-N 3.34Å |
| 226 | A | 77.6 | Confident | 86.4 | Confident | 40 Ų | 40 | 44.1 Ų | 44.1 | 33% | 0.331 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -76.1 | 118.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | D231 A232 | A226-D231 HydrophobicContact CB-CB 3.76Å; A226-A232 HydrophobicContact CB-CB 3.91Å |
| 227 | H | 77.7 | Confident | 86.1 | Confident | 156 Ų | 156 | 47.1 Ų | 47.1 | 72% | 0.722 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -99.7 | -14.3 | 174.9 | -64.8 | -53.9 | 0 | 0 | 0 | 112.3 | E225 D231 | E225-H227 PolarHBondContact O-N 3.34Å; H227-D231 PolarHBondContact N-OD2 3.11Å |
| 228 | S | 82.8 | Confident | 86.1 | Confident | 51 Ų | 51 | 47.1 Ų | 47.1 | 36% | 0.357 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -131.8 | 158.9 | 177.4 | 64.8 | 0 | 0 | 0 | 0 | 110.9 | E230 D231 A232 | S228-E230 PolarHBondContact O-N 2.95Å; S228-D231 PolarHBondContact N-OD2 2.97Å; S228-D231 WeakPolarHBondContact O-CB 3.44Å; S228-D231 PolarHBondContact O-N 3.16Å; S228-D231 VanDerWaalsContact O-N 3.12Å; S228-D231 PolarHBondContact OG-N 2.86Å; S228-D231 VanDerWaalsContact OG-N 3.14Å; S228-D231 PolarHBondContact OG-OD2 3.13Å; S228-A232 PolarHBondContact O-N 2.77Å; S228-A232 VanDerWaalsContact O-N 3.12Å |
| 229 | D | 82 | Confident | 86 | Confident | 146 Ų | 146 | 48 Ų | 48 | 78% | 0.781 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -58.5 | -33.9 | 173.3 | -63.9 | -24.9 | 0 | 0 | 0 | 111.4 | A232 V233 | D229-A232 PolarHBondContact O-N 3.31Å; D229-V233 WeakPolarHBondContact O-CG2 3.47Å; D229-V233 PolarHBondContact O-N 3.07Å |
| 230 | E | 86.4 | Confident | 85.8 | Confident | 84 Ų | 84 | 52.4 Ų | 52.4 | 39% | 0.393 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.3 | -49.5 | 173.7 | -179.1 | -178.5 | 158.4 | 0 | 0 | 111.4 | Y136 Y141 S228 A232 V233 V234 | Y136-E230 HydrophobicContact CD1-CG 4.12Å; Y136-E230 HydrophobicContact CE1-CG 3.89Å; Y141-E230 PolarHBondContact OH-OE1 3.09Å; S228-E230 PolarHBondContact O-N 2.95Å; E230-A232 VanDerWaalsContact C-N 3.25Å; E230-A232 PolarHBondContact O-N 2.75Å; E230-V233 PolarHBondContact O-N 2.85Å; E230-V234 HydrophobicContact CG-CG2 4.33Å; E230-V234 WeakPolarHBondContact O-CB 3.34Å; E230-V234 VanDerWaalsContact O-CG2 3.3Å; E230-V234 WeakPolarHBondContact O-CG2 3.36Å; E230-V234 PolarHBondContact O-N 2.83Å |
| 231 | D | 84.7 | Confident | 86 | Confident | 27 Ų | 27 | 53.5 Ų | 53.5 | 14% | 0.144 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.9 | -39.6 | 177.3 | -67.2 | -54.9 | 0 | 0 | 0 | 111.5 | R224 A226 H227 S228 V234 N235 | R224-D231 IonicContact CZ-OD1 3.48Å; R224-D231 IonicContact NH2-OD1 2.62Å; R224-D231 PolarHBondContact NH2-OD1 3.11Å; A226-D231 HydrophobicContact CB-CB 3.76Å; H227-D231 PolarHBondContact N-OD2 3.11Å; S228-D231 PolarHBondContact N-OD2 2.97Å; S228-D231 WeakPolarHBondContact O-CB 3.44Å; S228-D231 PolarHBondContact O-N 3.16Å; S228-D231 VanDerWaalsContact O-N 3.12Å; S228-D231 PolarHBondContact OG-N 2.86Å; S228-D231 VanDerWaalsContact OG-N 3.14Å; S228-D231 PolarHBondContact OG-OD2 3.13Å; D231-V234 PolarHBondContact O-N 3.16Å; D231-N235 WeakPolarHBondContact O-CB 3.01Å; D231-N235 PolarHBondContact O-N 3.38Å; D231-N235 PolarHBondContact O-ND2 3.05Å |
| 232 | A | 82.9 | Confident | 86.1 | Confident | 46 Ų | 46 | 53.4 Ų | 53.4 | 38% | 0.38 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | A226 S228 D229 E230 N235 E236 | A226-A232 HydrophobicContact CB-CB 3.91Å; S228-A232 PolarHBondContact O-N 2.77Å; S228-A232 VanDerWaalsContact O-N 3.12Å; D229-A232 PolarHBondContact O-N 3.31Å; E230-A232 VanDerWaalsContact C-N 3.25Å; E230-A232 PolarHBondContact O-N 2.75Å; A232-N235 PolarHBondContact O-N 2.7Å; A232-E236 WeakPolarHBondContact O-CB 3.48Å; A232-E236 PolarHBondContact O-N 2.92Å |
| 233 | V | 87.3 | Confident | 86.3 | Confident | 51 Ų | 51 | 53.6 Ų | 53.6 | 31% | 0.309 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 177.9 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | Y136 D229 E230 E236 L237 | Y136-V233 HydrophobicContact CD2-CG1 3.9Å; Y136-V233 HydrophobicContact CE2-CB 4.41Å; Y136-V233 HydrophobicContact CE2-CG1 3.53Å; D229-V233 WeakPolarHBondContact O-CG2 3.47Å; D229-V233 PolarHBondContact O-N 3.07Å; E230-V233 PolarHBondContact O-N 2.85Å; V233-E236 PolarHBondContact O-N 3.35Å; V233-L237 HydrophobicContact CG1-CD1 4.09Å; V233-L237 HydrophobicContact CG1-CG 4.38Å; V233-L237 WeakPolarHBondContact O-CG 3.37Å; V233-L237 PolarHBondContact O-N 2.6Å |
| 234 | V | 90.5 | Very high | 86.5 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.018 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64 | -43.3 | 178.6 | 172.7 | 0 | 0 | 0 | 0 | 111 | Y136 Y141 I146 E230 D231 E236 L237 W238 | Y136-V234 HydrophobicContact CD1-CG2 4.05Å; Y136-V234 HydrophobicContact CG-CG2 4.13Å; Y141-V234 HydrophobicContact CD1-CG1 3.92Å; Y141-V234 HydrophobicContact CD2-CG1 4.09Å; Y141-V234 HydrophobicContact CD2-CG2 4.19Å; Y141-V234 HydrophobicContact CE1-CG1 4.42Å; Y141-V234 HydrophobicContact CE1-CG2 4.27Å; Y141-V234 HydrophobicContact CE2-CG2 3.95Å; Y141-V234 HydrophobicContact CG-CG1 3.74Å; Y141-V234 HydrophobicContact CG-CG2 4.5Å; I146-V234 HydrophobicContact CG2-CG1 3.86Å; E230-V234 HydrophobicContact CG-CG2 4.33Å; E230-V234 WeakPolarHBondContact O-CB 3.34Å; E230-V234 VanDerWaalsContact O-CG2 3.3Å; E230-V234 WeakPolarHBondContact O-CG2 3.36Å; E230-V234 PolarHBondContact O-N 2.83Å; D231-V234 PolarHBondContact O-N 3.16Å; V234-E236 VanDerWaalsContact C-N 3.31Å; V234-E236 PolarHBondContact O-N 3.41Å; V234-L237 PolarHBondContact O-N 3.09Å; V234-W238 WeakPolarHBondContact O-CB 3.5Å; V234-W238 PolarHBondContact O-N 3.49Å |
| 235 | N | 88 | Confident | 86.9 | Confident | 10 Ų | 10 | 58 Ų | 58 | 5% | 0.053 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.7 | -41.7 | 174.8 | -81.4 | -18 | 0 | 0 | 0 | 111.7 | L223 R224 D231 A232 R239 | L223-N235 HydrophobicContact CD2-CB 4.12Å; R224-N235 PolarHBondContact O-ND2 2.83Å; D231-N235 WeakPolarHBondContact O-CB 3.01Å; D231-N235 PolarHBondContact O-N 3.38Å; D231-N235 PolarHBondContact O-ND2 3.05Å; A232-N235 PolarHBondContact O-N 2.7Å; N235-R239 WeakPolarHBondContact O-CB 3.32Å; N235-R239 VanDerWaalsContact O-CG 3.22Å; N235-R239 WeakPolarHBondContact O-CG 3.23Å; N235-R239 PolarHBondContact O-N 2.83Å |
| 236 | E | 85.7 | Confident | 87.7 | Confident | 67 Ų | 67 | 52.3 Ų | 52.3 | 31% | 0.313 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.2 | -47.6 | 176.6 | -167.6 | -169.1 | 154.8 | 0 | 0 | 111.9 | A232 V233 V234 W238 R239 K240 L262 | A232-E236 WeakPolarHBondContact O-CB 3.48Å; A232-E236 PolarHBondContact O-N 2.92Å; V233-E236 PolarHBondContact O-N 3.35Å; V234-E236 VanDerWaalsContact C-N 3.31Å; V234-E236 PolarHBondContact O-N 3.41Å; E236-W238 VanDerWaalsContact C-N 3.29Å; E236-W238 PolarHBondContact O-N 3.43Å; E236-R239 PolarHBondContact O-N 2.85Å; E236-K240 WeakPolarHBondContact O-CG 3.48Å; E236-K240 PolarHBondContact O-N 3.16Å; E236-K240 WeakPolarHBondContact OE1-CE 3.37Å; E236-K240 IonicContact OE1-NZ 2.73Å; E236-K240 PolarHBondContact OE1-NZ 3.41Å; E236-L262 HydrophobicContact CG-CD2 4.12Å |
| 237 | L | 90.3 | Very high | 88.4 | Confident | 63 Ų | 63 | 56.7 Ų | 56.7 | 33% | 0.33 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59 | -41.6 | 177 | -71.8 | 172.8 | 0 | 0 | 0 | 111.6 | V134 Y136 V233 V234 K240 A241 | V134-L237 HydrophobicContact CG1-CB 3.48Å; V134-L237 VanDerWaalsContact CG1-CB 3.48Å; V134-L237 HydrophobicContact CG1-CD1 4.12Å; V134-L237 HydrophobicContact CG1-CG 4.41Å; Y136-L237 HydrophobicContact CD2-CD1 3.91Å; Y136-L237 HydrophobicContact CG-CD1 4.43Å; V233-L237 HydrophobicContact CG1-CD1 4.09Å; V233-L237 HydrophobicContact CG1-CG 4.38Å; V233-L237 WeakPolarHBondContact O-CG 3.37Å; V233-L237 PolarHBondContact O-N 2.6Å; V234-L237 PolarHBondContact O-N 3.09Å; L237-K240 PolarHBondContact O-N 3.27Å; L237-A241 WeakPolarHBondContact O-CB 3.41Å; L237-A241 PolarHBondContact O-N 2.92Å |
| 238 | W | 92.9 | Very high | 89.1 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.7 | -40.7 | 176 | -170.1 | 93.7 | 0 | 0 | 0 | 113 | V100 I129 M132 V134 W143 I146 F221 L223 V234 E236 K240 A241 F242 | V100-W238 HydrophobicContact CB-CZ3 4.42Å; V100-W238 HydrophobicContact CG1-CZ3 4.46Å; V100-W238 HydrophobicContact CG2-CZ3 4.28Å; I129-W238 HydrophobicContact CG2-CH2 4.14Å; I129-W238 HydrophobicContact CG2-CZ2 4.03Å; M132-W238 HydrophobicContact CE-CD2 4.27Å; M132-W238 VanDerWaalsContact CE-CE2 3.47Å; M132-W238 HydrophobicContact CE-CH2 4.1Å; M132-W238 HydrophobicContact CE-CZ2 3.39Å; V134-W238 HydrophobicContact CG2-CB 4Å; V134-W238 HydrophobicContact CG2-CG 4.25Å; W143-W238 HydrophobicContact CD2-CZ2 4.45Å; W143-W238 AromaticContact CE3-CH2 3.78Å; W143-W238 HydrophobicContact CE3-CH2 3.78Å; W143-W238 AromaticContact CE3-CZ2 3.41Å; W143-W238 HydrophobicContact CE3-CZ2 3.41Å; W143-W238 VanDerWaalsContact CE3-CZ2 3.41Å; W143-W238 AromaticContact CZ3-CH2 3.56Å; W143-W238 HydrophobicContact CZ3-CH2 3.56Å; W143-W238 AromaticContact CZ3-CZ2 3.71Å; W143-W238 HydrophobicContact CZ3-CZ2 3.71Å; W143-W238 HydrophobicContact CZ3-CZ3 4.15Å; I146-W238 HydrophobicContact CD1-CB 3.74Å; I146-W238 HydrophobicContact CD1-CD2 3.25Å; I146-W238 VanDerWaalsContact CD1-CE2 3.41Å; I146-W238 HydrophobicContact CD1-CE3 4.01Å; I146-W238 HydrophobicContact CD1-CG 3.08Å; I146-W238 HydrophobicContact CD1-CZ2 4.24Å; I146-W238 VanDerWaalsContact CD1-NE1 3.32Å; F221-W238 HydrophobicContact CB-CH2 4.41Å; L223-W238 HydrophobicContact CD1-CE3 4.47Å; L223-W238 HydrophobicContact CD1-CZ3 4.13Å; L223-W238 HydrophobicContact CD2-CE3 4Å; L223-W238 HydrophobicContact CD2-CZ3 4.45Å; L223-W238 HydrophobicContact CG-CE3 4.46Å; L223-W238 HydrophobicContact CG-CZ3 4.47Å; V234-W238 WeakPolarHBondContact O-CB 3.5Å; V234-W238 PolarHBondContact O-N 3.49Å; E236-W238 VanDerWaalsContact C-N 3.29Å; E236-W238 PolarHBondContact O-N 3.43Å; W238-K240 VanDerWaalsContact C-N 3.33Å; W238-K240 PolarHBondContact O-N 3.05Å; W238-A241 PolarHBondContact O-N 3.29Å; W238-F242 HydrophobicContact CE3-CB 4.2Å; W238-F242 HydrophobicContact CH2-CB 4.31Å; W238-F242 HydrophobicContact CH2-CD2 4.14Å; W238-F242 HydrophobicContact CZ3-CB 4Å; W238-F242 HydrophobicContact CZ3-CD2 4.38Å; W238-F242 HydrophobicContact CZ3-CG 4.33Å; W238-F242 WeakPolarHBondContact O-CB 3.43Å; W238-F242 PolarHBondContact O-N 3.49Å |
| 239 | R | 90 | Very high | 89.6 | Confident | 29 Ų | 29 | 53.6 Ų | 53.6 | 11% | 0.109 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.8 | -45.1 | 173.3 | -73.4 | 170.1 | -168 | 178.1 | 7 | 111.1 | K97 N98 V100 L223 N235 E236 A241 F242 L243 L262 | K97-R239 PolarHBondContact O-NH1 3.43Å; K97-R239 PolarHBondContact O-NH2 2.95Å; N98-R239 PolarHBondContact OD1-NH2 3.13Å; V100-R239 HydrophobicContact CG2-CG 4Å; L223-R239 HydrophobicContact CD2-CG 4.2Å; N235-R239 WeakPolarHBondContact O-CB 3.32Å; N235-R239 VanDerWaalsContact O-CG 3.22Å; N235-R239 WeakPolarHBondContact O-CG 3.23Å; N235-R239 PolarHBondContact O-N 2.83Å; E236-R239 PolarHBondContact O-N 2.85Å; R239-A241 PolarHBondContact O-N 3.13Å; R239-F242 WeakPolarHBondContact O-CB 3.41Å; R239-F242 PolarHBondContact O-N 2.94Å; R239-L243 VanDerWaalsContact O-CG 3.31Å; R239-L243 WeakPolarHBondContact O-CG 3.17Å; R239-L243 PolarHBondContact O-N 2.97Å; R239-L262 HydrophobicContact CB-CD2 4.08Å |
| 240 | K | 89.4 | Confident | 90.1 | Very high | 94 Ų | 94 | 52.1 Ų | 52.1 | 41% | 0.409 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 175.8 | -71.2 | 179.4 | -176.9 | 171.3 | 0 | 112 | E236 L237 W238 L243 K244 L262 | E236-K240 WeakPolarHBondContact O-CG 3.48Å; E236-K240 PolarHBondContact O-N 3.16Å; E236-K240 WeakPolarHBondContact OE1-CE 3.37Å; E236-K240 IonicContact OE1-NZ 2.73Å; E236-K240 PolarHBondContact OE1-NZ 3.41Å; L237-K240 PolarHBondContact O-N 3.27Å; W238-K240 VanDerWaalsContact C-N 3.33Å; W238-K240 PolarHBondContact O-N 3.05Å; K240-L243 PolarHBondContact O-N 3.31Å; K240-K244 PolarHBondContact O-N 2.94Å; K240-K244 VanDerWaalsContact O-N 3.13Å; K240-L262 HydrophobicContact CG-CD2 4.38Å |
| 241 | A | 92.2 | Very high | 90.5 | Very high | 28 Ų | 28 | 49.1 Ų | 49.1 | 23% | 0.231 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.4 | -41 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V134 L237 W238 R239 T245 | V134-A241 HydrophobicContact CG2-CB 4.05Å; L237-A241 WeakPolarHBondContact O-CB 3.41Å; L237-A241 PolarHBondContact O-N 2.92Å; W238-A241 PolarHBondContact O-N 3.29Å; R239-A241 PolarHBondContact O-N 3.13Å; A241-T245 VanDerWaalsContact O-CB 3.31Å; A241-T245 WeakPolarHBondContact O-CB 3.03Å; A241-T245 PolarHBondContact O-N 2.79Å; A241-T245 PolarHBondContact O-OG1 2.98Å |
| 242 | F | 93.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.8 | -51.9 | 173.9 | 165.8 | -89.5 | 0 | 0 | 0 | 111.4 | V100 V102 I129 M132 F221 W238 R239 K244 T245 V246 W258 | V100-F242 HydrophobicContact CG1-CD1 3.24Å; V100-F242 HydrophobicContact CG1-CD2 3.71Å; V100-F242 HydrophobicContact CG1-CE1 3.03Å; V100-F242 HydrophobicContact CG1-CE2 3.48Å; V100-F242 VanDerWaalsContact CG1-CE2 3.48Å; V100-F242 HydrophobicContact CG1-CG 3.59Å; V100-F242 HydrophobicContact CG1-CZ 3.14Å; V102-F242 HydrophobicContact CG2-CE2 3.8Å; V102-F242 HydrophobicContact CG2-CZ 3.46Å; V102-F242 VanDerWaalsContact CG2-CZ 3.46Å; I129-F242 HydrophobicContact CD1-CD2 4.45Å; I129-F242 HydrophobicContact CD1-CE2 3.94Å; I129-F242 HydrophobicContact CG1-CD2 4.38Å; I129-F242 HydrophobicContact CG1-CE2 4.35Å; I129-F242 HydrophobicContact CG2-CD2 3.97Å; I129-F242 HydrophobicContact CG2-CE2 4.3Å; M132-F242 HydrophobicContact CE-CB 3.77Å; M132-F242 HydrophobicContact CE-CD2 4.3Å; F221-F242 HydrophobicContact CD2-CE2 4.41Å; W238-F242 HydrophobicContact CE3-CB 4.2Å; W238-F242 HydrophobicContact CH2-CB 4.31Å; W238-F242 HydrophobicContact CH2-CD2 4.14Å; W238-F242 HydrophobicContact CZ3-CB 4Å; W238-F242 HydrophobicContact CZ3-CD2 4.38Å; W238-F242 HydrophobicContact CZ3-CG 4.33Å; W238-F242 WeakPolarHBondContact O-CB 3.43Å; W238-F242 PolarHBondContact O-N 3.49Å; R239-F242 WeakPolarHBondContact O-CB 3.41Å; R239-F242 PolarHBondContact O-N 2.94Å; F242-K244 VanDerWaalsContact C-N 3.34Å; F242-K244 PolarHBondContact O-N 2.94Å; F242-T245 PolarHBondContact O-N 3.4Å; F242-T245 VanDerWaalsContact O-N 3.14Å; F242-V246 HydrophobicContact CD2-CG2 4.01Å; F242-V246 HydrophobicContact CE1-CG2 4.23Å; F242-V246 HydrophobicContact CE2-CG2 3.62Å; F242-V246 HydrophobicContact CG-CG2 4.48Å; F242-V246 HydrophobicContact CZ-CG2 3.75Å; F242-V246 WeakPolarHBondContact O-CG2 3.46Å; F242-V246 PolarHBondContact O-N 3.5Å; F242-W258 HydrophobicContact CE1-CB 4.35Å; F242-W258 HydrophobicContact CZ-CB 4.38Å |
| 243 | L | 90.5 | Very high | 91.2 | Very high | 16 Ų | 16 | 52 Ų | 52 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.4 | -47 | -177.5 | -65.8 | 174.9 | 0 | 0 | 0 | 111.1 | R239 K240 T245 V246 E247 S263 | R239-L243 VanDerWaalsContact O-CG 3.31Å; R239-L243 WeakPolarHBondContact O-CG 3.17Å; R239-L243 PolarHBondContact O-N 2.97Å; K240-L243 PolarHBondContact O-N 3.31Å; L243-T245 VanDerWaalsContact C-N 3.31Å; L243-T245 PolarHBondContact O-N 2.92Å; L243-V246 PolarHBondContact O-N 3.49Å; L243-E247 WeakPolarHBondContact O-CB 3.48Å; L243-E247 PolarHBondContact O-N 2.81Å; L243-E247 VanDerWaalsContact O-N 3.09Å; L243-S263 VanDerWaalsContact CD1-OG 3.31Å; L243-S263 WeakPolarHBondContact CD1-OG 3.46Å; L243-S263 WeakPolarHBondContact CD2-OG 3.27Å |
| 244 | K | 91.1 | Very high | 91.6 | Very high | 142 Ų | 142 | 50.7 Ų | 50.7 | 62% | 0.617 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -63.4 | -36.4 | 177.4 | -173.6 | 176.9 | -178.6 | 178.9 | 0 | 112.6 | K240 F242 N248 | K240-K244 PolarHBondContact O-N 2.94Å; K240-K244 VanDerWaalsContact O-N 3.13Å; F242-K244 VanDerWaalsContact C-N 3.34Å; F242-K244 PolarHBondContact O-N 2.94Å; K244-N248 PolarHBondContact O-ND2 3.24Å |
| 245 | T | 92.8 | Very high | 91.8 | Very high | 43 Ų | 43 | 52.5 Ų | 52.5 | 26% | 0.264 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -71.5 | -46.7 | -179.1 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | M132 A241 F242 L243 E247 N248 I249 | M132-T245 HydrophobicContact CG-CG2 4.35Å; M132-T245 VanDerWaalsContact SD-CB 3.53Å; M132-T245 HydrophobicContact SD-CG2 3.83Å; M132-T245 PolarHBondContact SD-OG1 3.35Å; A241-T245 VanDerWaalsContact O-CB 3.31Å; A241-T245 WeakPolarHBondContact O-CB 3.03Å; A241-T245 PolarHBondContact O-N 2.79Å; A241-T245 PolarHBondContact O-OG1 2.98Å; F242-T245 PolarHBondContact O-N 3.4Å; F242-T245 VanDerWaalsContact O-N 3.14Å; L243-T245 VanDerWaalsContact C-N 3.31Å; L243-T245 PolarHBondContact O-N 2.92Å; T245-E247 VanDerWaalsContact C-N 3.34Å; T245-E247 PolarHBondContact O-N 3.38Å; T245-N248 PolarHBondContact O-N 3.44Å; T245-I249 HydrophobicContact CG2-CD1 4.1Å; T245-I249 WeakPolarHBondContact O-CD1 3.27Å; T245-I249 VanDerWaalsContact O-CG1 3.31Å; T245-I249 WeakPolarHBondContact O-CG1 3.39Å |
| 246 | V | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.5 | -37 | -179.1 | -179.9 | 0 | 0 | 0 | 0 | 111.8 | V102 I129 F242 L243 N248 I249 L256 W258 | V102-V246 HydrophobicContact CG1-CG1 4.24Å; V102-V246 HydrophobicContact CG2-CG1 4.15Å; V102-V246 HydrophobicContact CG2-CG2 4.03Å; I129-V246 HydrophobicContact CD1-CG2 4.09Å; I129-V246 HydrophobicContact CG1-CG2 4.28Å; F242-V246 HydrophobicContact CD2-CG2 4.01Å; F242-V246 HydrophobicContact CE1-CG2 4.23Å; F242-V246 HydrophobicContact CE2-CG2 3.62Å; F242-V246 HydrophobicContact CG-CG2 4.48Å; F242-V246 HydrophobicContact CZ-CG2 3.75Å; F242-V246 WeakPolarHBondContact O-CG2 3.46Å; F242-V246 PolarHBondContact O-N 3.5Å; L243-V246 PolarHBondContact O-N 3.49Å; V246-N248 VanDerWaalsContact C-N 3.25Å; V246-N248 PolarHBondContact O-N 3.3Å; V246-I249 PolarHBondContact O-N 2.89Å; V246-I249 VanDerWaalsContact O-N 3.13Å; V246-L256 HydrophobicContact CG1-CD1 4.45Å; V246-W258 HydrophobicContact CB-CD2 4.27Å; V246-W258 HydrophobicContact CB-CG 4.22Å; V246-W258 HydrophobicContact CG1-CB 3.9Å; V246-W258 HydrophobicContact CG1-CD2 3.62Å; V246-W258 HydrophobicContact CG1-CE3 3.61Å; V246-W258 HydrophobicContact CG1-CG 3.74Å; V246-W258 HydrophobicContact CG1-CZ3 4.38Å |
| 247 | E | 91.7 | Very high | 92.6 | Very high | 132 Ų | 132 | 51.6 Ų | 51.6 | 62% | 0.617 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -58.5 | -35.9 | 176.6 | -175.6 | 177.5 | -162.5 | 0 | 0 | 113 | L243 T245 I249 W258 | L243-E247 WeakPolarHBondContact O-CB 3.48Å; L243-E247 PolarHBondContact O-N 2.81Å; L243-E247 VanDerWaalsContact O-N 3.09Å; T245-E247 VanDerWaalsContact C-N 3.34Å; T245-E247 PolarHBondContact O-N 3.38Å; E247-I249 VanDerWaalsContact C-N 3.32Å; E247-I249 PolarHBondContact O-N 3.4Å; E247-W258 HydrophobicContact CB-CH2 4.27Å; E247-W258 HydrophobicContact CB-CZ2 3.76Å; E247-W258 HydrophobicContact CG-CH2 4.4Å; E247-W258 HydrophobicContact CG-CZ2 4.06Å |
| 248 | N | 92.5 | Very high | 92.7 | Very high | 124 Ų | 124 | 50.5 Ų | 50.5 | 66% | 0.663 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -4.6 | -179 | -72.6 | -56.4 | 0 | 0 | 0 | 113.9 | K244 T245 V246 | K244-N248 PolarHBondContact O-ND2 3.24Å; T245-N248 PolarHBondContact O-N 3.44Å; V246-N248 VanDerWaalsContact C-N 3.25Å; V246-N248 PolarHBondContact O-N 3.3Å |
| 249 | I | 93.6 | Very high | 92.6 | Very high | 18 Ų | 18 | 50.4 Ų | 50.4 | 9% | 0.092 | 27% | 0.273 | C | S | . | . | trans | -94.1 | 126.2 | -177.9 | -66.4 | 167.4 | 0 | 0 | 0 | 109.9 | L125 R128 T245 V246 E247 Y251 L256 | L125-I249 HydrophobicContact CD1-CD1 3.82Å; L125-I249 HydrophobicContact CD1-CG2 4.36Å; R128-I249 HydrophobicContact CB-CD1 4.3Å; T245-I249 HydrophobicContact CG2-CD1 4.1Å; T245-I249 WeakPolarHBondContact O-CD1 3.27Å; T245-I249 VanDerWaalsContact O-CG1 3.31Å; T245-I249 WeakPolarHBondContact O-CG1 3.39Å; V246-I249 PolarHBondContact O-N 2.89Å; V246-I249 VanDerWaalsContact O-N 3.13Å; E247-I249 VanDerWaalsContact C-N 3.32Å; E247-I249 PolarHBondContact O-N 3.4Å; I249-Y251 HydrophobicContact CG2-CD2 3.91Å; I249-Y251 HydrophobicContact CG2-CE1 4.26Å; I249-Y251 HydrophobicContact CG2-CE2 3.23Å; I249-Y251 VanDerWaalsContact CG2-CZ 3.43Å; I249-L256 HydrophobicContact CB-CD1 4.16Å; I249-L256 HydrophobicContact CG2-CD1 3.82Å | ||
| 250 | C | 93.2 | Very high | 92.5 | Very high | 115 Ų | 115 | 49 Ų | 49 | 78% | 0.777 | 27% | 0.268 | S | S | * | . | trans | -130.8 | 131.5 | 175.5 | -173.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 251 | Y | 93.6 | Very high | 92 | Very high | 21 Ų | 21 | 45.1 Ų | 45.1 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -119.2 | 124.9 | 177.2 | -64.8 | -65 | 0 | 0 | 0 | 110.5 | C121 D124 L125 I249 G253 Y254 L256 | C121-Y251 HydrophobicContact CB-CD1 3.95Å; C121-Y251 HydrophobicContact CB-CD2 4.2Å; C121-Y251 HydrophobicContact CB-CE1 4.28Å; C121-Y251 HydrophobicContact CB-CG 3.92Å; D124-Y251 HydrophobicContact CB-CE1 4.45Å; D124-Y251 VanDerWaalsContact OD2-CE1 3.29Å; D124-Y251 WeakPolarHBondContact OD2-CE1 3.37Å; D124-Y251 PolarHBondContact OD2-OH 2.87Å; L125-Y251 WeakPolarHBondContact CA-OH 3.35Å; L125-Y251 HydrophobicContact CB-CE2 3.99Å; L125-Y251 HydrophobicContact CD1-CE2 4.45Å; L125-Y251 PolarHBondContact N-OH 2.95Å; I249-Y251 HydrophobicContact CG2-CD2 3.91Å; I249-Y251 HydrophobicContact CG2-CE1 4.26Å; I249-Y251 HydrophobicContact CG2-CE2 3.23Å; I249-Y251 VanDerWaalsContact CG2-CZ 3.43Å; Y251-G253 PolarHBondContact O-N 3.44Å; Y251-G253 VanDerWaalsContact O-N 3.16Å; Y251-Y254 PolarHBondContact O-N 3.28Å; Y251-Y254 VanDerWaalsContact O-N 3.13Å; Y251-L256 HydrophobicContact CD2-CD1 4.06Å; Y251-L256 HydrophobicContact CD2-CD2 4.31Å; Y251-L256 HydrophobicContact CD2-CG 4.41Å; Y251-L256 HydrophobicContact CE2-CD1 4.08Å |
| 252 | P | 91.8 | Very high | 91.5 | Very high | 100 Ų | 100 | 44.1 Ų | 44.1 | 65% | 0.649 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 121.7 | -179.6 | 24.7 | -32.7 | 0 | 0 | 0 | 111 | H117 | H117-P252 PolarHBondContact NE2-O 3.12Š|
| 253 | G | 92.2 | Very high | 91.1 | Very high | 35 Ų | 35 | 44.1 Ų | 44.1 | 36% | 0.361 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | -2.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | S107 Y251 | S107-G253 WeakPolarHBondContact CB-O 3.2Å; S107-G253 PolarHBondContact N-O 2.84Å; S107-G253 PolarHBondContact OG-O 3.38Å; Y251-G253 PolarHBondContact O-N 3.44Å; Y251-G253 VanDerWaalsContact O-N 3.16Å |
| 254 | Y | 94.6 | Very high | 90.8 | Very high | 22 Ų | 22 | 43.3 Ų | 43.3 | 9% | 0.086 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 140.6 | 176.6 | -63.5 | -78.1 | 0 | 0 | 0 | 110.9 | M104 A105 S112 V113 S115 H117 G118 C121 Y251 | M104-Y254 HydrophobicContact CG-CD1 4.25Å; M104-Y254 HydrophobicContact CG-CG 4.39Å; M104-Y254 HydrophobicContact SD-CG 4.42Å; A105-Y254 CarbonylContact O-C 3.45Å; A105-Y254 WeakPolarHBondContact O-CA 3.48Å; S112-Y254 PolarHBondContact O-OH 3.11Å; V113-Y254 HydrophobicContact CG1-CD1 4.18Å; V113-Y254 HydrophobicContact CG1-CE1 3.97Å; S115-Y254 PolarHBondContact OG-OH 3.46Å; H117-Y254 AromaticContact CD2-CE2 3.5Å; H117-Y254 VanDerWaalsContact CD2-CE2 3.5Å; H117-Y254 WeakPolarHBondContact CD2-CE2 3.29Å; H117-Y254 AromaticContact NE2-CE2 3.99Å; G118-Y254 WeakPolarHBondContact CA-OH 3.25Å; G118-Y254 PolarHBondContact N-OH 2.98Å; C121-Y254 HydrophobicContact CB-CD2 4.49Å; Y251-Y254 PolarHBondContact O-N 3.28Å; Y251-Y254 VanDerWaalsContact O-N 3.13Å |
| 255 | S | 94.6 | Very high | 90.3 | Very high | 41 Ų | 41 | 36.8 Ų | 36.8 | 29% | 0.287 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 131.8 | 176 | -55.4 | 0 | 0 | 0 | 0 | 109 | A105 S107 | A105-S255 PolarHBondContact N-O 3.2Å; A105-S255 PolarHBondContact O-N 3.34Å; S107-S255 PolarHBondContact OG-OG 2.92Å |
| 256 | L | 95.4 | Very high | 89.8 | Confident | 20 Ų | 20 | 37.5 Ų | 37.5 | 11% | 0.105 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 136.7 | 175.6 | -58.2 | -177.2 | 0 | 0 | 0 | 109.6 | V102 I103 M104 L125 V246 I249 Y251 W258 | V102-L256 HydrophobicContact CG1-CB 4.35Å; V102-L256 HydrophobicContact CG1-CD2 4.24Å; I103-L256 CarbonylContact O-C 3.21Å; I103-L256 WeakPolarHBondContact O-CA 3.45Å; M104-L256 HydrophobicContact CB-CD2 3.72Å; M104-L256 HydrophobicContact CG-CD2 3.78Å; M104-L256 HydrophobicContact SD-CD2 4.38Å; L125-L256 HydrophobicContact CD1-CD1 4.21Å; L125-L256 HydrophobicContact CD2-CD1 4.35Å; L125-L256 HydrophobicContact CD2-CD2 3.86Å; V246-L256 HydrophobicContact CG1-CD1 4.45Å; I249-L256 HydrophobicContact CB-CD1 4.16Å; I249-L256 HydrophobicContact CG2-CD1 3.82Å; Y251-L256 HydrophobicContact CD2-CD1 4.06Å; Y251-L256 HydrophobicContact CD2-CD2 4.31Å; Y251-L256 HydrophobicContact CD2-CG 4.41Å; Y251-L256 HydrophobicContact CE2-CD1 4.08Å; L256-W258 HydrophobicContact CB-CE3 4.26Å; L256-W258 HydrophobicContact CB-CZ3 4.35Å; L256-W258 WeakPolarHBondContact O-CZ3 3.49Å |
| 257 | Y | 94.6 | Very high | 89.5 | Confident | 38 Ų | 38 | 38 Ų | 38 | 15% | 0.149 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 131.3 | 171.6 | -54.5 | -80.7 | 0 | 0 | 0 | 107.3 | V102 I103 A105 M535 T536 M539 | V102-Y257 CarbonylContact C-O 3.59Å; V102-Y257 WeakPolarHBondContact CA-O 3.37Å; I103-Y257 HydrophobicContact CG2-CD2 4.49Å; I103-Y257 PolarHBondContact N-O 2.8Å; I103-Y257 PolarHBondContact O-N 3.13Å; A105-Y257 HydrophobicContact CB-CE2 4.12Å; Y257-M535 HydrophobicContact CD1-CG 3.73Å; Y257-M535 HydrophobicContact CE1-CE 3.8Å; Y257-M535 HydrophobicContact CE1-CG 3.52Å; Y257-M535 HydrophobicContact CE1-SD 4.42Å; Y257-T536 WeakPolarHBondContact CB-OG1 3.09Å; Y257-M539 HydrophobicContact CD1-CG 4.09Å; Y257-M539 HydrophobicContact CD2-CB 4.15Å; Y257-M539 HydrophobicContact CD2-CG 3.99Å; Y257-M539 HydrophobicContact CE1-CE 4.41Å; Y257-M539 HydrophobicContact CE1-CG 3.9Å; Y257-M539 HydrophobicContact CE2-CB 4.35Å; Y257-M539 HydrophobicContact CE2-CG 3.77Å; Y257-M539 HydrophobicContact CE2-SD 4.41Å; Y257-M539 HydrophobicContact CG-CB 4.32Å; Y257-M539 HydrophobicContact CG-CG 4.13Å |
| 258 | W | 93.5 | Very high | 89.1 | Confident | 40 Ų | 40 | 32 Ų | 32 | 15% | 0.152 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 151.3 | -174.2 | 61.8 | 92.3 | 0 | 0 | 0 | 110.3 | Y101 V102 F242 V246 E247 L256 Y532 T536 | Y101-W258 VanDerWaalsContact O-CA 3.31Å; Y101-W258 WeakPolarHBondContact O-CA 3.37Å; V102-W258 HydrophobicContact CG1-CB 4.43Å; V102-W258 HydrophobicContact CG2-CB 4.08Å; F242-W258 HydrophobicContact CE1-CB 4.35Å; F242-W258 HydrophobicContact CZ-CB 4.38Å; V246-W258 HydrophobicContact CB-CD2 4.27Å; V246-W258 HydrophobicContact CB-CG 4.22Å; V246-W258 HydrophobicContact CG1-CB 3.9Å; V246-W258 HydrophobicContact CG1-CD2 3.62Å; V246-W258 HydrophobicContact CG1-CE3 3.61Å; V246-W258 HydrophobicContact CG1-CG 3.74Å; V246-W258 HydrophobicContact CG1-CZ3 4.38Å; E247-W258 HydrophobicContact CB-CH2 4.27Å; E247-W258 HydrophobicContact CB-CZ2 3.76Å; E247-W258 HydrophobicContact CG-CH2 4.4Å; E247-W258 HydrophobicContact CG-CZ2 4.06Å; L256-W258 HydrophobicContact CB-CE3 4.26Å; L256-W258 HydrophobicContact CB-CZ3 4.35Å; L256-W258 WeakPolarHBondContact O-CZ3 3.49Å; W258-Y532 AromaticContact CD1-CE2 3.99Å; W258-Y532 AromaticContact NE1-CD2 3.82Å; W258-Y532 AromaticContact NE1-CE2 3.76Å; W258-Y532 WeakPolarHBondContact O-CD2 3.29Å; W258-T536 PolarHBondContact N-OG1 2.85Å; W258-T536 PolarHBondContact O-OG1 2.99Å; W258-T536 VanDerWaalsContact O-OG1 3.11Å |
| 259 | S | 90.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 164.5 | 174.4 | -170.1 | 0 | 0 | 0 | 0 | 110.5 | Y101 V533 | Y101-S259 VanDerWaalsContact CD1-O 3.31Å; Y101-S259 WeakPolarHBondContact CD1-O 3.21Å; Y101-S259 PolarHBondContact N-O 3.47Å; Y101-S259 VanDerWaalsContact N-O 3.11Å; Y101-S259 PolarHBondContact O-N 3.3Å; Y101-S259 VanDerWaalsContact O-N 3.13Å; Y101-S259 WeakPolarHBondContact OH-CB 3.36Å; S259-V533 WeakPolarHBondContact OG-CG1 3.48Å |
| 260 | S | 87 | Confident | 88.3 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 168.6 | 170.5 | 68.3 | 0 | 0 | 0 | 0 | 108.6 | L262 S263 F264 | S260-L262 PolarHBondContact O-N 3.04Å; S260-L262 PolarHBondContact OG-N 3.26Å; S260-S263 PolarHBondContact N-OG 3.43Å; S260-S263 WeakPolarHBondContact O-CB 3.49Å; S260-S263 PolarHBondContact O-N 2.86Å; S260-S263 PolarHBondContact OG-N 3.31Å; S260-S263 PolarHBondContact OG-OG 3.07Å; S260-F264 PolarHBondContact O-N 3.24Å; S260-F264 VanDerWaalsContact O-N 3.13Å |
| 261 | W | 80.1 | Confident | 87.8 | Confident | 12 Ų | 12 | 26.3 Ų | 26.3 | 5% | 0.045 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -51.8 | -46.1 | 168.8 | 174 | -86.7 | 0 | 0 | 0 | 112.1 | Y54 L58 F94 L95 K97 S263 F264 M265 | Y54-W261 VanDerWaalsContact O-CE2 3.25Å; Y54-W261 WeakPolarHBondContact O-CZ2 3.31Å; Y54-W261 PolarHBondContact O-NE1 2.84Å; L58-W261 HydrophobicContact CB-CH2 3.29Å; L58-W261 HydrophobicContact CB-CZ2 3.77Å; L58-W261 HydrophobicContact CB-CZ3 4.05Å; L58-W261 HydrophobicContact CD2-CH2 3.91Å; L58-W261 HydrophobicContact CD2-CZ3 3.84Å; L58-W261 HydrophobicContact CG-CH2 4.12Å; L58-W261 HydrophobicContact CG-CZ3 4.42Å; F94-W261 WeakPolarHBondContact O-CZ3 3.25Å; L95-W261 WeakPolarHBondContact O-CZ3 3.31Å; K97-W261 HydrophobicContact CB-CG 4.49Å; K97-W261 HydrophobicContact CG-CD2 3.95Å; K97-W261 HydrophobicContact CG-CE3 4.18Å; K97-W261 HydrophobicContact CG-CG 4.28Å; K97-W261 HydrophobicContact CG-CZ2 4.4Å; W261-S263 PolarHBondContact O-N 2.78Å; W261-F264 PolarHBondContact O-N 2.79Å; W261-M265 PolarHBondContact O-N 3.16Å |
| 262 | L | 80.5 | Confident | 87.3 | Confident | 6 Ų | 6 | 25.8 Ų | 25.8 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.5 | -45.7 | 179.5 | -178.4 | 64 | 0 | 0 | 0 | 111.3 | Y54 E236 R239 K240 S260 F264 M265 E266 | Y54-L262 HydrophobicContact CD1-CD1 3.88Å; Y54-L262 HydrophobicContact CD2-CD1 4.4Å; Y54-L262 HydrophobicContact CE1-CD1 3.53Å; Y54-L262 HydrophobicContact CE2-CD1 4.09Å; Y54-L262 HydrophobicContact CG-CD1 4.31Å; E236-L262 HydrophobicContact CG-CD2 4.12Å; R239-L262 HydrophobicContact CB-CD2 4.08Å; K240-L262 HydrophobicContact CG-CD2 4.38Å; S260-L262 PolarHBondContact O-N 3.04Å; S260-L262 PolarHBondContact OG-N 3.26Å; L262-F264 VanDerWaalsContact C-N 3.3Å; L262-F264 PolarHBondContact O-N 3.17Å; L262-M265 PolarHBondContact O-N 2.87Å; L262-E266 HydrophobicContact CD1-CG 4.15Å; L262-E266 HydrophobicContact CG-CG 4.23Å; L262-E266 WeakPolarHBondContact O-CB 3.47Å; L262-E266 WeakPolarHBondContact O-CG 3.4Å; L262-E266 PolarHBondContact O-N 3.03Å |
| 263 | S | 85.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.5 | -42.9 | 176.7 | -58.4 | 0 | 0 | 0 | 0 | 112.8 | L243 S260 W261 E267 Y532 | L243-S263 VanDerWaalsContact CD1-OG 3.31Å; L243-S263 WeakPolarHBondContact CD1-OG 3.46Å; L243-S263 WeakPolarHBondContact CD2-OG 3.27Å; S260-S263 PolarHBondContact N-OG 3.43Å; S260-S263 WeakPolarHBondContact O-CB 3.49Å; S260-S263 PolarHBondContact O-N 2.86Å; S260-S263 PolarHBondContact OG-N 3.31Å; S260-S263 PolarHBondContact OG-OG 3.07Å; W261-S263 PolarHBondContact O-N 2.78Å; S263-E267 VanDerWaalsContact O-CB 3.3Å; S263-E267 WeakPolarHBondContact O-CB 3.42Å; S263-E267 VanDerWaalsContact O-CG 3.26Å; S263-E267 WeakPolarHBondContact O-CG 3.37Å; S263-E267 PolarHBondContact O-N 3.2Å; S263-Y532 WeakPolarHBondContact CB-OH 3.07Å; S263-Y532 PolarHBondContact OG-OH 2.78Å |
| 264 | F | 83.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.3 | -42.7 | -179.9 | -174.4 | -92.2 | 0 | 0 | 0 | 110.9 | L58 F94 S260 W261 L262 I268 V523 L526 L527 V533 L537 | L58-F264 HydrophobicContact CD1-CD1 3.36Å; L58-F264 HydrophobicContact CD1-CE1 3.15Å; L58-F264 HydrophobicContact CD1-CZ 4.22Å; F94-F264 HydrophobicContact CB-CD2 4.48Å; S260-F264 PolarHBondContact O-N 3.24Å; S260-F264 VanDerWaalsContact O-N 3.13Å; W261-F264 PolarHBondContact O-N 2.79Å; L262-F264 VanDerWaalsContact C-N 3.3Å; L262-F264 PolarHBondContact O-N 3.17Å; F264-I268 HydrophobicContact CD1-CD1 4.11Å; F264-I268 HydrophobicContact CE1-CD1 3.41Å; F264-I268 VanDerWaalsContact CE1-CD1 3.41Å; F264-I268 HydrophobicContact CE1-CG1 4.26Å; F264-I268 HydrophobicContact CZ-CD1 3.9Å; F264-I268 WeakPolarHBondContact O-CG1 3.26Å; F264-I268 PolarHBondContact O-N 3.38Å; F264-V523 HydrophobicContact CE1-CG1 4.45Å; F264-V523 HydrophobicContact CE2-CG1 3.52Å; F264-V523 HydrophobicContact CZ-CG1 3.37Å; F264-L526 HydrophobicContact CZ-CD1 4.43Å; F264-L527 HydrophobicContact CD2-CD1 3.92Å; F264-L527 HydrophobicContact CD2-CD2 3.98Å; F264-L527 HydrophobicContact CD2-CG 4.36Å; F264-L527 HydrophobicContact CE2-CD1 3.65Å; F264-L527 HydrophobicContact CE2-CD2 3.83Å; F264-L527 HydrophobicContact CE2-CG 3.87Å; F264-L527 HydrophobicContact CZ-CD2 4.25Å; F264-L527 HydrophobicContact CZ-CG 4.43Å; F264-V533 HydrophobicContact CB-CG1 4.16Å; F264-V533 HydrophobicContact CD2-CG1 3.65Å; F264-V533 HydrophobicContact CG-CG1 4.38Å; F264-L537 HydrophobicContact CD2-CD1 4.12Å; F264-L537 HydrophobicContact CE2-CD1 3.86Å |
| 265 | M | 80.9 | Confident | 86.5 | Confident | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.02 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -70.4 | -45 | 177.8 | -72.5 | -65.9 | 109.7 | 0 | 0 | 113.8 | T52 Y54 S57 L58 W261 L262 E267 I268 Q269 | T52-M265 HydrophobicContact CG2-SD 4.41Å; Y54-M265 HydrophobicContact CD1-CB 3.38Å; Y54-M265 HydrophobicContact CD1-CG 3.83Å; Y54-M265 HydrophobicContact CE1-CB 3.51Å; Y54-M265 HydrophobicContact CE1-CG 4.44Å; S57-M265 PolarHBondContact OG-SD 3.22Å; L58-M265 HydrophobicContact CB-CE 3.95Å; L58-M265 HydrophobicContact CD1-CE 3.3Å; L58-M265 HydrophobicContact CG-CE 4.19Å; W261-M265 PolarHBondContact O-N 3.16Å; L262-M265 PolarHBondContact O-N 2.87Å; M265-E267 PolarHBondContact O-N 2.87Å; M265-I268 HydrophobicContact CE-CD1 3.84Å; M265-I268 PolarHBondContact O-N 3.08Å; M265-Q269 PolarHBondContact O-N 3.12Å |
| 266 | E | 83.4 | Confident | 86.1 | Confident | 58 Ų | 58 | 32.6 Ų | 32.6 | 27% | 0.271 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -58.7 | -38.4 | 174.9 | -74.5 | 179.1 | 168.9 | 0 | 0 | 111.2 | Y54 L262 Q269 R270 | Y54-E266 HydrophobicContact CE1-CG 4.44Å; L262-E266 HydrophobicContact CD1-CG 4.15Å; L262-E266 HydrophobicContact CG-CG 4.23Å; L262-E266 WeakPolarHBondContact O-CB 3.47Å; L262-E266 WeakPolarHBondContact O-CG 3.4Å; L262-E266 PolarHBondContact O-N 3.03Å; E266-Q269 PolarHBondContact O-N 2.98Å; E266-R270 WeakPolarHBondContact O-CB 3.2Å; E266-R270 PolarHBondContact O-N 2.75Å |
| 267 | E | 86.3 | Confident | 85.8 | Confident | 12 Ų | 12 | 35.2 Ų | 35.2 | 6% | 0.056 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70.9 | -32.5 | 177.3 | -78.2 | -74.7 | 142.9 | 0 | 0 | 113.4 | S263 M265 R270 N271 L527 P528 S531 Y532 V533 | S263-E267 VanDerWaalsContact O-CB 3.3Å; S263-E267 WeakPolarHBondContact O-CB 3.42Å; S263-E267 VanDerWaalsContact O-CG 3.26Å; S263-E267 WeakPolarHBondContact O-CG 3.37Å; S263-E267 PolarHBondContact O-N 3.2Å; M265-E267 PolarHBondContact O-N 2.87Å; E267-R270 WeakPolarHBondContact O-CB 3.17Å; E267-R270 PolarHBondContact O-N 3.17Å; E267-R270 IonicContact OE1-CZ 3.48Å; E267-R270 VanDerWaalsContact OE1-CZ 3.23Å; E267-R270 IonicContact OE1-NE 3.39Å; E267-R270 PolarHBondContact OE1-NE 3.24Å; E267-R270 IonicContact OE1-NH1 3.35Å; E267-R270 IonicContact OE1-NH2 3.73Å; E267-R270 PolarHBondContact OE1-NH2 3.33Å; E267-R270 IonicContact OE2-CZ 3.66Å; E267-R270 VanDerWaalsContact OE2-CZ 3.23Å; E267-R270 IonicContact OE2-NE 2.88Å; E267-R270 PolarHBondContact OE2-NE 2.84Å; E267-R270 IonicContact OE2-NH2 2.62Å; E267-R270 PolarHBondContact OE2-NH2 3.1Å; E267-N271 PolarHBondContact O-N 3.32Å; E267-L527 HydrophobicContact CB-CD2 3.67Å; E267-P528 VanDerWaalsContact O-CD 3.23Å; E267-P528 WeakPolarHBondContact O-CD 3.41Å; E267-S531 VanDerWaalsContact CD-OG 3.25Å; E267-S531 WeakPolarHBondContact CG-OG 3.36Å; E267-S531 WeakPolarHBondContact OE2-CB 3.43Å; E267-S531 PolarHBondContact OE2-OG 3.43Å; E267-Y532 HydrophobicContact CG-CD1 4.48Å; E267-Y532 HydrophobicContact CG-CE1 3.9Å; E267-Y532 WeakPolarHBondContact OE1-CE1 3.4Å; E267-V533 HydrophobicContact CG-CB 4.38Å; E267-V533 HydrophobicContact CG-CG2 3.82Å |
| 268 | I | 83.3 | Confident | 85.6 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.4 | -44.6 | 169.3 | -69.7 | -176.8 | 0 | 0 | 0 | 110.1 | F264 M265 R270 N271 P334 L526 L527 | F264-I268 HydrophobicContact CD1-CD1 4.11Å; F264-I268 HydrophobicContact CE1-CD1 3.41Å; F264-I268 VanDerWaalsContact CE1-CD1 3.41Å; F264-I268 HydrophobicContact CE1-CG1 4.26Å; F264-I268 HydrophobicContact CZ-CD1 3.9Å; F264-I268 WeakPolarHBondContact O-CG1 3.26Å; F264-I268 PolarHBondContact O-N 3.38Å; M265-I268 HydrophobicContact CE-CD1 3.84Å; M265-I268 PolarHBondContact O-N 3.08Å; I268-R270 VanDerWaalsContact C-N 3.27Å; I268-R270 PolarHBondContact O-N 2.89Å; I268-N271 WeakPolarHBondContact O-CB 3.36Å; I268-N271 PolarHBondContact O-N 3.28Å; I268-N271 VanDerWaalsContact O-N 3.12Å; I268-P334 HydrophobicContact CG2-CB 4.36Å; I268-P334 HydrophobicContact CG2-CG 4.12Å; I268-L526 HydrophobicContact CD1-CB 4.05Å; I268-L526 HydrophobicContact CD1-CD1 4.21Å; I268-L526 HydrophobicContact CG1-CB 4.33Å; I268-L527 HydrophobicContact CG1-CD2 3.75Å |
| 269 | Q | 83.9 | Confident | 85.4 | Confident | 32 Ų | 32 | 36 Ų | 36 | 15% | 0.15 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.2 | -33.7 | 176.7 | -174.6 | 67.4 | -12.6 | 0 | 0 | 111.6 | M265 E266 N271 S272 E273 | M265-Q269 PolarHBondContact O-N 3.12Å; E266-Q269 PolarHBondContact O-N 2.98Å; Q269-N271 PolarHBondContact O-N 3.38Å; Q269-S272 WeakPolarHBondContact O-CA 3.14Å; Q269-S272 PolarHBondContact O-N 2.97Å; Q269-S272 PolarHBondContact O-OG 3.31Å; Q269-S272 PolarHBondContact OE1-OG 3.15Å; Q269-S272 VanDerWaalsContact OE1-OG 3.05Å; Q269-E273 HydrophobicContact CG-CG 4.39Å; Q269-E273 PolarHBondContact O-N 3.45Å |
| 270 | R | 86.5 | Confident | 85.4 | Confident | 98 Ų | 98 | 40.2 Ų | 40.2 | 37% | 0.37 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58.5 | -31.7 | 174 | -169.1 | 174 | 72.1 | 148 | -1.9 | 112.6 | E266 E267 I268 S272 A274 R530 | E266-R270 WeakPolarHBondContact O-CB 3.2Å; E266-R270 PolarHBondContact O-N 2.75Å; E267-R270 WeakPolarHBondContact O-CB 3.17Å; E267-R270 PolarHBondContact O-N 3.17Å; E267-R270 IonicContact OE1-CZ 3.48Å; E267-R270 VanDerWaalsContact OE1-CZ 3.23Å; E267-R270 IonicContact OE1-NE 3.39Å; E267-R270 PolarHBondContact OE1-NE 3.24Å; E267-R270 IonicContact OE1-NH1 3.35Å; E267-R270 IonicContact OE1-NH2 3.73Å; E267-R270 PolarHBondContact OE1-NH2 3.33Å; E267-R270 IonicContact OE2-CZ 3.66Å; E267-R270 VanDerWaalsContact OE2-CZ 3.23Å; E267-R270 IonicContact OE2-NE 2.88Å; E267-R270 PolarHBondContact OE2-NE 2.84Å; E267-R270 IonicContact OE2-NH2 2.62Å; E267-R270 PolarHBondContact OE2-NH2 3.1Å; I268-R270 VanDerWaalsContact C-N 3.27Å; I268-R270 PolarHBondContact O-N 2.89Å; R270-S272 VanDerWaalsContact C-N 3.32Å; R270-A274 WeakPolarHBondContact O-CB 3.46Å; R270-A274 PolarHBondContact O-N 2.85Å; R270-R530 PolarHBondContact NH2-O 3.34Å |
| 271 | N | 82.4 | Confident | 85.5 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.6 | -39 | 172.3 | -85.8 | -30.4 | 0 | 0 | 0 | 111.8 | E267 I268 Q269 L526 P528 S812 | E267-N271 PolarHBondContact O-N 3.32Å; I268-N271 WeakPolarHBondContact O-CB 3.36Å; I268-N271 PolarHBondContact O-N 3.28Å; I268-N271 VanDerWaalsContact O-N 3.12Å; Q269-N271 PolarHBondContact O-N 3.38Å; N271-L526 PolarHBondContact ND2-O 3.42Å; N271-P528 WeakPolarHBondContact OD1-CA 3.36Å; N271-P528 WeakPolarHBondContact OD1-CG 3.14Å; N271-S812 PolarHBondContact ND2-OG 3.06Å; N271-S812 WeakPolarHBondContact OD1-CB 3.45Å; N271-S812 PolarHBondContact OD1-OG 3.48Å; N271-S812 VanDerWaalsContact OD1-OG 3.07Å |
| 272 | S | 83.5 | Confident | 85.9 | Confident | 9 Ų | 9 | 46.7 Ų | 46.7 | 6% | 0.063 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -75.1 | -41 | 179.2 | 75.3 | 0 | 0 | 0 | 0 | 111.6 | Q269 R270 A274 L275 | Q269-S272 WeakPolarHBondContact O-CA 3.14Å; Q269-S272 PolarHBondContact O-N 2.97Å; Q269-S272 PolarHBondContact O-OG 3.31Å; Q269-S272 PolarHBondContact OE1-OG 3.15Å; Q269-S272 VanDerWaalsContact OE1-OG 3.05Å; R270-S272 VanDerWaalsContact C-N 3.32Å; S272-A274 VanDerWaalsContact C-N 3.29Å; S272-A274 PolarHBondContact O-N 3.36Å; S272-L275 VanDerWaalsContact O-CB 3.29Å; S272-L275 WeakPolarHBondContact O-CB 3.4Å; S272-L275 PolarHBondContact O-N 2.83Å; S272-L275 VanDerWaalsContact O-N 3.08Å |
| 273 | E | 85.6 | Confident | 86.3 | Confident | 124 Ų | 124 | 47.6 Ų | 47.6 | 58% | 0.579 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -63.5 | -36 | 174.5 | -68.5 | -179 | 176.7 | 0 | 0 | 112.1 | Q269 L275 W276 | Q269-E273 HydrophobicContact CG-CG 4.39Å; Q269-E273 PolarHBondContact O-N 3.45Å; E273-L275 PolarHBondContact O-N 3.4Å; E273-W276 WeakPolarHBondContact O-CB 3.37Å; E273-W276 PolarHBondContact O-N 3.34Å |
| 274 | A | 86.7 | Confident | 86.5 | Confident | 31 Ų | 31 | 52 Ų | 52 | 26% | 0.256 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -13.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R270 S272 P277 Y278 L810 | R270-A274 WeakPolarHBondContact O-CB 3.46Å; R270-A274 PolarHBondContact O-N 2.85Å; S272-A274 VanDerWaalsContact C-N 3.29Å; S272-A274 PolarHBondContact O-N 3.36Å; A274-P277 WeakPolarHBondContact O-CD 3.49Å; A274-Y278 WeakPolarHBondContact O-CD2 3.39Å; A274-Y278 VanDerWaalsContact O-CE2 3.27Å; A274-Y278 WeakPolarHBondContact O-CE2 3.48Å; A274-L810 HydrophobicContact CB-CD1 3.65Å |
| 275 | L | 87.6 | Confident | 86.9 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -26.5 | 171.1 | -65.6 | 165.9 | 0 | 0 | 0 | 112.5 | S272 E273 P277 Y278 F279 M337 M338 F341 L807 L810 V815 | S272-L275 VanDerWaalsContact O-CB 3.29Å; S272-L275 WeakPolarHBondContact O-CB 3.4Å; S272-L275 PolarHBondContact O-N 2.83Å; S272-L275 VanDerWaalsContact O-N 3.08Å; E273-L275 PolarHBondContact O-N 3.4Å; L275-P277 VanDerWaalsContact C-CD 3.48Å; L275-Y278 WeakPolarHBondContact O-CB 3.26Å; L275-Y278 PolarHBondContact O-N 3.24Å; L275-F279 HydrophobicContact CB-CE2 4.41Å; L275-F279 WeakPolarHBondContact O-CD2 3.3Å; L275-M337 HydrophobicContact CD1-CB 3.81Å; L275-M338 HydrophobicContact CD1-CG 4.04Å; L275-F341 HydrophobicContact CB-CE2 4.49Å; L275-F341 HydrophobicContact CD2-CE2 4.36Å; L275-L807 HydrophobicContact CD2-CD2 3.4Å; L275-L810 HydrophobicContact CD2-CD2 3.38Å; L275-L810 HydrophobicContact CG-CD2 3.92Å; L275-V815 HydrophobicContact CD2-CG2 4.3Å |
| 276 | W | 87.3 | Confident | 87.3 | Confident | 185 Ų | 185 | 54.4 Ų | 54.4 | 70% | 0.701 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -53.4 | -45.1 | -175.1 | -168.4 | -104.6 | 0 | 0 | 0 | 113.6 | E273 Y278 F279 | E273-W276 WeakPolarHBondContact O-CB 3.37Å; E273-W276 PolarHBondContact O-N 3.34Å; W276-Y278 PolarHBondContact O-N 3.19Å; W276-Y278 VanDerWaalsContact O-N 3.15Å; W276-F279 HydrophobicContact CE3-CD2 4.27Å; W276-F279 HydrophobicContact CE3-CE2 4.34Å; W276-F279 PolarHBondContact O-N 3.2Å |
| 277 | P | 89.6 | Confident | 87.7 | Confident | 75 Ų | 75 | 54.5 Ų | 54.5 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -63.3 | -19 | 177.4 | -22.3 | 35.2 | 0 | 0 | 0 | 114.5 | A274 L275 P280 Y281 | A274-P277 WeakPolarHBondContact O-CD 3.49Å; L275-P277 VanDerWaalsContact C-CD 3.48Å; P277-P280 WeakPolarHBondContact O-CD 3.12Å; P277-Y281 WeakPolarHBondContact O-CD2 3.43Å; P277-Y281 VanDerWaalsContact O-CE2 3.23Å; P277-Y281 WeakPolarHBondContact O-CE2 3.4Å |
| 278 | Y | 90 | Very high | 87.9 | Confident | 49 Ų | 49 | 59.4 Ų | 59.4 | 19% | 0.192 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -87.9 | -17.7 | -176.9 | -65.9 | -84.9 | 0 | 0 | 0 | 113.8 | A274 L275 W276 Y281 L282 A806 F809 L810 | A274-Y278 WeakPolarHBondContact O-CD2 3.39Å; A274-Y278 VanDerWaalsContact O-CE2 3.27Å; A274-Y278 WeakPolarHBondContact O-CE2 3.48Å; L275-Y278 WeakPolarHBondContact O-CB 3.26Å; L275-Y278 PolarHBondContact O-N 3.24Å; W276-Y278 PolarHBondContact O-N 3.19Å; W276-Y278 VanDerWaalsContact O-N 3.15Å; Y278-Y281 PolarHBondContact O-N 3.46Å; Y278-Y281 VanDerWaalsContact O-N 3.16Å; Y278-L282 PolarHBondContact O-N 3.13Å; Y278-A806 WeakPolarHBondContact CD1-O 3.24Å; Y278-A806 WeakPolarHBondContact CE1-O 3.41Å; Y278-F809 HydrophobicContact CE1-CB 3.98Å; Y278-F809 PolarHBondContact OH-O 3.25Å; Y278-L810 HydrophobicContact CE2-CB 4.23Å; Y278-L810 HydrophobicContact CE2-CD1 4.14Å |
| 279 | F | 89.3 | Confident | 88.1 | Confident | 47 Ų | 47 | 62.1 Ų | 62.1 | 21% | 0.206 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.6 | -42.7 | 177.9 | -81.3 | -89 | 0 | 0 | 0 | 114.1 | L275 W276 Y281 L282 G283 P340 F341 | L275-F279 HydrophobicContact CB-CE2 4.41Å; L275-F279 WeakPolarHBondContact O-CD2 3.3Å; W276-F279 HydrophobicContact CE3-CD2 4.27Å; W276-F279 HydrophobicContact CE3-CE2 4.34Å; W276-F279 PolarHBondContact O-N 3.2Å; F279-Y281 VanDerWaalsContact C-N 3.31Å; F279-Y281 PolarHBondContact O-N 3.18Å; F279-L282 PolarHBondContact O-N 3.03Å; F279-G283 PolarHBondContact O-N 3.11Å; F279-P340 HydrophobicContact CE1-CB 3.68Å; F279-P340 HydrophobicContact CE1-CG 3.93Å; F279-P340 HydrophobicContact CZ-CB 4.32Å; F279-P340 HydrophobicContact CZ-CG 4.15Å; F279-F341 HydrophobicContact CD1-CZ 4.47Å; F279-F341 HydrophobicContact CD2-CE2 4.42Å; F279-F341 HydrophobicContact CD2-CZ 4.2Å; F279-F341 HydrophobicContact CE1-CE2 4.08Å; F279-F341 HydrophobicContact CE1-CZ 4.43Å; F279-F341 AromaticContact CE2-CE2 3.92Å; F279-F341 HydrophobicContact CE2-CE2 3.92Å; F279-F341 HydrophobicContact CE2-CZ 4.15Å; F279-F341 HydrophobicContact CG-CZ 4.37Å; F279-F341 AromaticContact CZ-CE2 3.73Å; F279-F341 HydrophobicContact CZ-CE2 3.73Å; F279-F341 HydrophobicContact CZ-CZ 4.26Å |
| 280 | P | 90.3 | Very high | 88.3 | Confident | 88 Ų | 88 | 60.6 Ų | 60.6 | 57% | 0.571 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.3 | -36.4 | 174.7 | -24.5 | 34.9 | 0 | 0 | 0 | 113.1 | P277 G283 L284 | P277-P280 WeakPolarHBondContact O-CD 3.12Å; P280-G283 PolarHBondContact O-N 2.88Å; P280-L284 VanDerWaalsContact O-CB 3.29Å; P280-L284 WeakPolarHBondContact O-CB 3.33Å; P280-L284 PolarHBondContact O-N 2.72Å |
| 281 | Y | 89.4 | Confident | 88.5 | Confident | 147 Ų | 147 | 57.8 Ų | 57.8 | 58% | 0.576 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -68.2 | -44.4 | 176.8 | -62.9 | -87.7 | 0 | 0 | 0 | 111.1 | P277 Y278 F279 L284 I285 | P277-Y281 WeakPolarHBondContact O-CD2 3.43Å; P277-Y281 VanDerWaalsContact O-CE2 3.23Å; P277-Y281 WeakPolarHBondContact O-CE2 3.4Å; Y278-Y281 PolarHBondContact O-N 3.46Å; Y278-Y281 VanDerWaalsContact O-N 3.16Å; F279-Y281 VanDerWaalsContact C-N 3.31Å; F279-Y281 PolarHBondContact O-N 3.18Å; Y281-L284 PolarHBondContact O-N 2.74Å; Y281-I285 WeakPolarHBondContact O-CB 3.4Å; Y281-I285 VanDerWaalsContact O-CG1 3.24Å; Y281-I285 WeakPolarHBondContact O-CG1 3.39Å; Y281-I285 PolarHBondContact O-N 2.9Å |
| 282 | L | 88.8 | Confident | 88.7 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56.6 | -52.2 | 171.6 | 175.7 | 69.2 | 0 | 0 | 0 | 110.9 | Y278 F279 L284 I285 L286 F341 L344 G803 | Y278-L282 PolarHBondContact O-N 3.13Å; F279-L282 PolarHBondContact O-N 3.03Å; L282-L284 VanDerWaalsContact C-N 3.27Å; L282-L284 PolarHBondContact O-N 3.02Å; L282-I285 PolarHBondContact O-N 3Å; L282-L286 HydrophobicContact CD1-CD1 3.68Å; L282-L286 HydrophobicContact CD1-CG 3.87Å; L282-L286 HydrophobicContact CD2-CD1 4.43Å; L282-L286 HydrophobicContact CG-CD1 3.86Å; L282-L286 HydrophobicContact CG-CG 4.29Å; L282-L286 WeakPolarHBondContact O-CB 3.15Å; L282-L286 WeakPolarHBondContact O-CG 3.25Å; L282-L286 PolarHBondContact O-N 3.07Å; L282-F341 HydrophobicContact CB-CD1 4.31Å; L282-F341 HydrophobicContact CB-CE1 4.05Å; L282-F341 HydrophobicContact CD1-CD1 4.14Å; L282-F341 HydrophobicContact CD2-CB 4.43Å; L282-F341 HydrophobicContact CD2-CD1 3.55Å; L282-F341 HydrophobicContact CD2-CE1 3.86Å; L282-F341 HydrophobicContact CD2-CG 4.03Å; L282-F341 HydrophobicContact CG-CD1 4.2Å; L282-F341 HydrophobicContact CG-CE1 4.41Å; L282-L344 HydrophobicContact CD2-CD1 3.7Å; L282-G803 WeakPolarHBondContact CD1-O 3.48Å |
| 283 | G | 88 | Confident | 88.6 | Confident | 25 Ų | 25 | 60.5 Ų | 60.5 | 26% | 0.258 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.5 | -42.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F279 P280 L287 | F279-G283 PolarHBondContact O-N 3.11Å; P280-G283 PolarHBondContact O-N 2.88Å; G283-L287 WeakPolarHBondContact O-CB 3.46Å; G283-L287 PolarHBondContact O-N 3.2Å |
| 284 | L | 91.5 | Very high | 88.6 | Confident | 94 Ų | 94 | 54.6 Ų | 54.6 | 49% | 0.492 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.4 | -47.2 | 176.4 | -179.1 | 64 | 0 | 0 | 0 | 112.4 | P280 Y281 L282 L287 L288 | P280-L284 VanDerWaalsContact O-CB 3.29Å; P280-L284 WeakPolarHBondContact O-CB 3.33Å; P280-L284 PolarHBondContact O-N 2.72Å; Y281-L284 PolarHBondContact O-N 2.74Å; L282-L284 VanDerWaalsContact C-N 3.27Å; L282-L284 PolarHBondContact O-N 3.02Å; L284-L287 PolarHBondContact O-N 2.83Å; L284-L288 HydrophobicContact CD1-CD1 4.1Å; L284-L288 HydrophobicContact CD1-CG 4.15Å; L284-L288 HydrophobicContact CG-CD1 4.07Å; L284-L288 HydrophobicContact CG-CG 4.48Å; L284-L288 WeakPolarHBondContact O-CB 3.13Å; L284-L288 VanDerWaalsContact O-CG 3.26Å; L284-L288 WeakPolarHBondContact O-CG 3.49Å; L284-L288 PolarHBondContact O-N 3.2Å |
| 285 | I | 90.9 | Very high | 88.5 | Confident | 54 Ų | 54 | 55.8 Ų | 55.8 | 28% | 0.277 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61 | -51.1 | 179.7 | -70 | 165.6 | 0 | 0 | 0 | 110 | Y281 L282 L287 L288 M289 A802 | Y281-I285 WeakPolarHBondContact O-CB 3.4Å; Y281-I285 VanDerWaalsContact O-CG1 3.24Å; Y281-I285 WeakPolarHBondContact O-CG1 3.39Å; Y281-I285 PolarHBondContact O-N 2.9Å; L282-I285 PolarHBondContact O-N 3Å; I285-L287 VanDerWaalsContact C-N 3.34Å; I285-L287 PolarHBondContact O-N 3.02Å; I285-L288 PolarHBondContact O-N 3.23Å; I285-M289 HydrophobicContact CG2-SD 4.13Å; I285-M289 WeakPolarHBondContact O-CB 3.48Å; I285-M289 WeakPolarHBondContact O-CG 3.25Å; I285-M289 PolarHBondContact O-N 2.89Å; I285-A802 HydrophobicContact CG2-CB 3.87Å |
| 286 | L | 89.8 | Confident | 88 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65 | -37.2 | 178.5 | -65.7 | -177.1 | 0 | 0 | 0 | 111.6 | L282 M289 T290 L311 L344 L799 | L282-L286 HydrophobicContact CD1-CD1 3.68Å; L282-L286 HydrophobicContact CD1-CG 3.87Å; L282-L286 HydrophobicContact CD2-CD1 4.43Å; L282-L286 HydrophobicContact CG-CD1 3.86Å; L282-L286 HydrophobicContact CG-CG 4.29Å; L282-L286 WeakPolarHBondContact O-CB 3.15Å; L282-L286 WeakPolarHBondContact O-CG 3.25Å; L282-L286 PolarHBondContact O-N 3.07Å; L286-M289 PolarHBondContact O-N 2.93Å; L286-T290 VanDerWaalsContact O-CB 3.26Å; L286-T290 WeakPolarHBondContact O-CB 3.34Å; L286-T290 WeakPolarHBondContact O-CG2 3.34Å; L286-T290 PolarHBondContact O-N 2.95Å; L286-T290 PolarHBondContact O-OG1 3.16Å; L286-L311 HydrophobicContact CB-CD1 4.21Å; L286-L311 HydrophobicContact CD1-CD1 4.2Å; L286-L344 HydrophobicContact CD1-CB 3.66Å; L286-L344 HydrophobicContact CD1-CD1 4.49Å; L286-L799 HydrophobicContact CD2-CD1 3.69Å |
| 287 | L | 91.6 | Very high | 87.3 | Confident | 59 Ų | 59 | 50.5 Ų | 50.5 | 31% | 0.309 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 174.8 | 179.9 | 70.1 | 0 | 0 | 0 | 111.7 | G283 L284 I285 M289 T290 V291 I308 | G283-L287 WeakPolarHBondContact O-CB 3.46Å; G283-L287 PolarHBondContact O-N 3.2Å; L284-L287 PolarHBondContact O-N 2.83Å; I285-L287 VanDerWaalsContact C-N 3.34Å; I285-L287 PolarHBondContact O-N 3.02Å; L287-M289 VanDerWaalsContact C-N 3.34Å; L287-M289 PolarHBondContact O-N 2.85Å; L287-T290 VanDerWaalsContact CA-OG1 3.28Å; L287-T290 WeakPolarHBondContact CA-OG1 3.11Å; L287-T290 PolarHBondContact O-N 3.4Å; L287-T290 PolarHBondContact O-OG1 2.95Å; L287-V291 HydrophobicContact CD1-CG2 3.79Å; L287-V291 HydrophobicContact CG-CG2 4.28Å; L287-V291 VanDerWaalsContact O-CB 3.24Å; L287-V291 WeakPolarHBondContact O-CB 3.06Å; L287-V291 VanDerWaalsContact O-CG2 3.23Å; L287-V291 WeakPolarHBondContact O-CG2 3.47Å; L287-V291 PolarHBondContact O-N 2.95Å; L287-I308 HydrophobicContact CD1-CG1 3.82Å |
| 288 | L | 90.9 | Very high | 86.8 | Confident | 115 Ų | 115 | 49.5 Ų | 49.5 | 60% | 0.602 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.7 | -41.9 | 178.5 | -71.6 | 173.6 | 0 | 0 | 0 | 111.2 | L284 I285 G292 | L284-L288 HydrophobicContact CD1-CD1 4.1Å; L284-L288 HydrophobicContact CD1-CG 4.15Å; L284-L288 HydrophobicContact CG-CD1 4.07Å; L284-L288 HydrophobicContact CG-CG 4.48Å; L284-L288 WeakPolarHBondContact O-CB 3.13Å; L284-L288 VanDerWaalsContact O-CG 3.26Å; L284-L288 WeakPolarHBondContact O-CG 3.49Å; L284-L288 PolarHBondContact O-N 3.2Å; I285-L288 PolarHBondContact O-N 3.23Å; L288-G292 WeakPolarHBondContact O-CA 3.48Å; L288-G292 PolarHBondContact O-N 3.25Å |
| 289 | M | 87.1 | Confident | 86.5 | Confident | 64 Ų | 64 | 48.9 Ų | 48.9 | 32% | 0.315 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.7 | -46.5 | 177.2 | -70.3 | -176 | 74.7 | 0 | 0 | 112.2 | I285 L286 L287 G293 F352 L799 A802 | I285-M289 HydrophobicContact CG2-SD 4.13Å; I285-M289 WeakPolarHBondContact O-CB 3.48Å; I285-M289 WeakPolarHBondContact O-CG 3.25Å; I285-M289 PolarHBondContact O-N 2.89Å; L286-M289 PolarHBondContact O-N 2.93Å; L287-M289 VanDerWaalsContact C-N 3.34Å; L287-M289 PolarHBondContact O-N 2.85Å; M289-G293 PolarHBondContact O-N 3.45Å; M289-F352 WeakPolarHBondContact O-CZ 3.29Å; M289-L799 HydrophobicContact CE-CB 4.29Å; M289-L799 HydrophobicContact CE-CD1 4.21Å; M289-L799 HydrophobicContact SD-CD1 4.37Å; M289-A802 HydrophobicContact CE-CB 4.12Å; M289-A802 HydrophobicContact SD-CB 3.34Å; M289-A802 WeakPolarHBondContact SD-CB 3.4Å |
| 290 | T | 88.2 | Confident | 86.2 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.9 | -53.2 | 178.1 | 48.6 | 0 | 0 | 0 | 0 | 111.9 | L286 L287 G292 G293 C294 V348 | L286-T290 VanDerWaalsContact O-CB 3.26Å; L286-T290 WeakPolarHBondContact O-CB 3.34Å; L286-T290 WeakPolarHBondContact O-CG2 3.34Å; L286-T290 PolarHBondContact O-N 2.95Å; L286-T290 PolarHBondContact O-OG1 3.16Å; L287-T290 VanDerWaalsContact CA-OG1 3.28Å; L287-T290 WeakPolarHBondContact CA-OG1 3.11Å; L287-T290 PolarHBondContact O-N 3.4Å; L287-T290 PolarHBondContact O-OG1 2.95Å; T290-G292 VanDerWaalsContact C-N 3.33Å; T290-G292 PolarHBondContact O-N 3.03Å; T290-G293 PolarHBondContact O-N 3.12Å; T290-C294 WeakPolarHBondContact O-CB 3.24Å; T290-C294 PolarHBondContact O-N 3.29Å; T290-C294 PolarHBondContact O-SG 2.63Å; T290-V348 HydrophobicContact CG2-CB 3.97Å; T290-V348 HydrophobicContact CG2-CG1 3.26Å; T290-V348 HydrophobicContact CG2-CG2 3.41Å; T290-V348 VanDerWaalsContact CG2-CG2 3.41Å |
| 291 | V | 89.7 | Confident | 85.8 | Confident | 39 Ų | 39 | 45.5 Ų | 45.5 | 24% | 0.236 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 179.6 | 175 | 0 | 0 | 0 | 0 | 109.6 | L287 C294 C295 P304 I308 | L287-V291 HydrophobicContact CD1-CG2 3.79Å; L287-V291 HydrophobicContact CG-CG2 4.28Å; L287-V291 VanDerWaalsContact O-CB 3.24Å; L287-V291 WeakPolarHBondContact O-CB 3.06Å; L287-V291 VanDerWaalsContact O-CG2 3.23Å; L287-V291 WeakPolarHBondContact O-CG2 3.47Å; L287-V291 PolarHBondContact O-N 2.95Å; V291-C294 PolarHBondContact O-N 3.32Å; V291-C295 PolarHBondContact O-N 3.36Å; V291-C295 PolarHBondContact O-SG 2.97Å; V291-P304 HydrophobicContact CG1-CB 3.95Å; V291-I308 HydrophobicContact CG2-CG1 4.02Å |
| 292 | G | 86.5 | Confident | 85.6 | Confident | 47 Ų | 47 | 38.8 Ų | 38.8 | 49% | 0.485 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57 | -48.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L288 T290 C294 C295 | L288-G292 WeakPolarHBondContact O-CA 3.48Å; L288-G292 PolarHBondContact O-N 3.25Å; T290-G292 VanDerWaalsContact C-N 3.33Å; T290-G292 PolarHBondContact O-N 3.03Å; G292-C294 VanDerWaalsContact C-N 3.34Å; G292-C294 PolarHBondContact O-N 3.39Å; G292-C295 VanDerWaalsContact O-CA 3.26Å; G292-C295 WeakPolarHBondContact O-CA 3.36Å; G292-C295 PolarHBondContact O-N 3.34Å |
| 293 | G | 82.5 | Confident | 85.7 | Confident | 26 Ų | 26 | 38.9 Ų | 38.9 | 27% | 0.268 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -71 | -24.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | M289 T290 C295 R359 | M289-G293 PolarHBondContact O-N 3.45Å; T290-G293 PolarHBondContact O-N 3.12Å; G293-C295 VanDerWaalsContact C-N 3.3Å; G293-R359 PolarHBondContact O-NH1 2.94Å |
| 294 | C | 85.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -83.2 | -11.6 | 170.1 | -59.8 | 0 | 0 | 0 | 0 | 113 | T290 V291 G292 K303 L355 R359 | T290-C294 WeakPolarHBondContact O-CB 3.24Å; T290-C294 PolarHBondContact O-N 3.29Å; T290-C294 PolarHBondContact O-SG 2.63Å; V291-C294 PolarHBondContact O-N 3.32Å; G292-C294 VanDerWaalsContact C-N 3.34Å; G292-C294 PolarHBondContact O-N 3.39Å; C294-K303 HydrophobicContact CB-CB 4.44Å; C294-K303 VanDerWaalsContact CB-O 3.23Å; C294-K303 WeakPolarHBondContact CB-O 3.26Å; C294-K303 PolarHBondContact O-N 3.39Å; C294-L355 HydrophobicContact CB-CD2 4.01Å; C294-L355 VanDerWaalsContact SG-CD2 3.53Å; C294-R359 PolarHBondContact O-NH2 2.87Å |
| 295 | C | 85.4 | Confident | 85.8 | Confident | 55 Ų | 55 | 37.8 Ų | 37.8 | 37% | 0.372 | 24% | 0.239 | S | C | . | . | trans | -66.2 | 116.4 | 170.4 | 48.3 | 0 | 0 | 0 | 0 | 115.5 | V291 G292 G293 | V291-C295 PolarHBondContact O-N 3.36Å; V291-C295 PolarHBondContact O-SG 2.97Å; G292-C295 VanDerWaalsContact O-CA 3.26Å; G292-C295 WeakPolarHBondContact O-CA 3.36Å; G292-C295 PolarHBondContact O-N 3.34Å; G293-C295 VanDerWaalsContact C-N 3.3Å | ||
| 296 | D | 75.2 | Confident | 85.9 | Confident | 12 Ų | 12 | 35.2 Ų | 35.2 | 6% | 0.064 | 23% | 0.226 | C | C | . | . | trans | -117.4 | -3.2 | -173.4 | -78.3 | 1.4 | 0 | 0 | 0 | 114.6 | N298 S302 R359 W472 | D296-N298 PolarHBondContact O-N 2.93Å; D296-N298 VanDerWaalsContact O-N 3.1Å; D296-S302 PolarHBondContact N-OG 3.17Å; D296-R359 IonicContact OD1-CZ 3.83Å; D296-R359 IonicContact OD1-NE 3.35Å; D296-R359 IonicContact OD1-NH1 3.42Å; D296-R359 IonicContact OD1-NH2 2.74Å; D296-R359 PolarHBondContact OD1-NH2 3.11Å; D296-R359 IonicContact OD2-CZ 2.87Å; D296-R359 IonicContact OD2-NE 2.69Å; D296-R359 IonicContact OD2-NH2 4Å; D296-R359 PolarHBondContact OD2-NH2 3.19Å; D296-W472 HydrophobicContact CB-CZ2 4.18Å; D296-W472 VanDerWaalsContact O-CD1 3.27Å; D296-W472 WeakPolarHBondContact OD1-CZ2 3.39Å; D296-W472 PolarHBondContact OD1-NE1 3.23Å; D296-W472 VanDerWaalsContact OD2-CE2 3.29Å; D296-W472 WeakPolarHBondContact OD2-CZ2 3.23Å; D296-W472 PolarHBondContact OD2-NE1 3.46Å | ||
| 297 | G | 73.9 | Confident | 85.9 | Confident | 64 Ų | 64 | 35.2 Ų | 35.2 | 66% | 0.66 | 23% | 0.226 | S | C | * | . | S | Bend | trans | 75.6 | -20.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 298 | N | 79.2 | Confident | 86 | Confident | 53 Ų | 53 | 35 Ų | 35 | 28% | 0.283 | 22% | 0.224 | S | C | . | . | trans | -92.7 | 126.3 | 174.9 | 180 | -5.2 | 0 | 0 | 0 | 111.4 | D296 V300 T301 S302 V468 | D296-N298 PolarHBondContact O-N 2.93Å; D296-N298 VanDerWaalsContact O-N 3.1Å; N298-V300 PolarHBondContact O-N 3.49Å; N298-V300 VanDerWaalsContact O-N 3.12Å; N298-V300 PolarHBondContact OD1-N 3.48Å; N298-T301 WeakPolarHBondContact CB-OG1 3.3Å; N298-T301 PolarHBondContact O-N 2.89Å; N298-S302 WeakPolarHBondContact O-CB 3.47Å; N298-S302 PolarHBondContact O-N 3.33Å; N298-S302 PolarHBondContact O-OG 3.48Å; N298-V468 HydrophobicContact CB-CG1 3.92Å | ||
| 299 | A | 82.1 | Confident | 86 | Confident | 37 Ų | 37 | 33.3 Ų | 33.3 | 31% | 0.306 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | H442 C443 | A299-H442 CarbonylContact O-C 3.56Å; A299-H442 WeakPolarHBondContact O-CA 3.43Å; A299-C443 WeakPolarHBondContact O-CB 3.16Å; A299-C443 PolarHBondContact O-N 2.88Å; A299-C443 PolarHBondContact O-SG 2.69Å; A299-C443 VanDerWaalsContact O-SG 3.34Å |
| 300 | V | 83 | Confident | 86.3 | Confident | 25 Ų | 25 | 30.3 Ų | 30.3 | 15% | 0.152 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -46.8 | 178.8 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | N298 R436 T449 | N298-V300 PolarHBondContact O-N 3.49Å; N298-V300 VanDerWaalsContact O-N 3.12Å; N298-V300 PolarHBondContact OD1-N 3.48Å; V300-R436 PolarHBondContact O-NH1 3.07Å; V300-T449 HydrophobicContact CG2-CG2 4.36Å |
| 301 | T | 82.1 | Confident | 86.5 | Confident | 39 Ų | 39 | 31.4 Ų | 31.4 | 24% | 0.239 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -23.7 | -173.6 | 64.8 | 0 | 0 | 0 | 0 | 113.6 | N298 K303 | N298-T301 WeakPolarHBondContact CB-OG1 3.3Å; N298-T301 PolarHBondContact O-N 2.89Å; T301-K303 VanDerWaalsContact O-CG 3.3Å; T301-K303 WeakPolarHBondContact O-CG 3.47Å; T301-K303 PolarHBondContact O-N 3.26Å |
| 302 | S | 86.7 | Confident | 86.7 | Confident | 6 Ų | 6 | 32.9 Ų | 32.9 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | trans | -55.9 | 137.6 | 175.8 | -68.3 | 0 | 0 | 0 | 0 | 111.2 | D296 N298 P304 R436 C443 | D296-S302 PolarHBondContact N-OG 3.17Å; N298-S302 WeakPolarHBondContact O-CB 3.47Å; N298-S302 PolarHBondContact O-N 3.33Å; N298-S302 PolarHBondContact O-OG 3.48Å; S302-P304 WeakPolarHBondContact O-CD 3.48Å; S302-R436 PolarHBondContact O-NH2 3.47Å; S302-C443 WeakPolarHBondContact O-CB 3.33Å | ||
| 303 | K | 90.5 | Very high | 87.1 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | trans | -122.8 | 54.7 | -177.7 | -52.3 | -168.3 | 177.7 | -88.7 | 0 | 113 | C294 T301 W305 L306 G307 L355 W358 D433 E437 | C294-K303 HydrophobicContact CB-CB 4.44Å; C294-K303 VanDerWaalsContact CB-O 3.23Å; C294-K303 WeakPolarHBondContact CB-O 3.26Å; C294-K303 PolarHBondContact O-N 3.39Å; T301-K303 VanDerWaalsContact O-CG 3.3Å; T301-K303 WeakPolarHBondContact O-CG 3.47Å; T301-K303 PolarHBondContact O-N 3.26Å; K303-W305 VanDerWaalsContact C-N 3.3Å; K303-W305 PolarHBondContact O-N 3.47Å; K303-L306 HydrophobicContact CB-CB 3.8Å; K303-L306 HydrophobicContact CB-CD2 4.26Å; K303-L306 HydrophobicContact CD-CD2 3.85Å; K303-L306 VanDerWaalsContact O-CB 3.31Å; K303-L306 WeakPolarHBondContact O-CB 3.4Å; K303-L306 PolarHBondContact O-N 3.4Å; K303-G307 PolarHBondContact O-N 3.28Å; K303-L355 HydrophobicContact CD-CD1 3.75Å; K303-W358 VanDerWaalsContact CE-NE1 3.26Å; K303-D433 WeakPolarHBondContact CD-OD2 3.4Å; K303-D433 WeakPolarHBondContact CE-OD2 3.24Å; K303-D433 WeakPolarHBondContact CG-OD2 3.37Å; K303-D433 IonicContact NZ-OD2 2.57Å; K303-D433 PolarHBondContact NZ-OD2 3.37Å; K303-E437 VanDerWaalsContact CE-OE2 3.24Å; K303-E437 WeakPolarHBondContact CE-OE2 3.25Å; K303-E437 IonicContact NZ-OE2 2.93Å; K303-E437 PolarHBondContact NZ-OE2 3.28Å | ||
| 304 | P | 90.4 | Very high | 87.6 | Confident | 11 Ų | 11 | 29.7 Ų | 29.7 | 7% | 0.071 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.5 | -40.8 | -177.1 | 23.6 | -33.3 | 0 | 0 | 0 | 112.9 | V291 S302 L306 G307 I308 C443 L444 | V291-P304 HydrophobicContact CG1-CB 3.95Å; S302-P304 WeakPolarHBondContact O-CD 3.48Å; P304-L306 VanDerWaalsContact C-N 3.27Å; P304-L306 PolarHBondContact O-N 3.44Å; P304-G307 PolarHBondContact O-N 3.05Å; P304-G307 VanDerWaalsContact O-N 3.14Å; P304-I308 PolarHBondContact O-N 3.44Å; P304-C443 HydrophobicContact CG-CB 4.17Å; P304-L444 HydrophobicContact CB-CD2 4.41Å; P304-L444 HydrophobicContact CG-CD2 3.81Å |
| 305 | W | 91 | Very high | 88.1 | Confident | 85 Ų | 85 | 32.2 Ų | 32.2 | 32% | 0.322 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.3 | -33.7 | 177.5 | -68.5 | 109.2 | 0 | 0 | 0 | 112.9 | K303 G307 I308 Y309 C443 F446 | K303-W305 VanDerWaalsContact C-N 3.3Å; K303-W305 PolarHBondContact O-N 3.47Å; W305-G307 VanDerWaalsContact C-N 3.28Å; W305-G307 PolarHBondContact O-N 3.44Å; W305-I308 HydrophobicContact CE3-CD1 3.83Å; W305-I308 HydrophobicContact CZ3-CD1 4.03Å; W305-I308 PolarHBondContact O-N 2.83Å; W305-Y309 HydrophobicContact CB-CD2 4.26Å; W305-Y309 HydrophobicContact CB-CE2 3.79Å; W305-Y309 WeakPolarHBondContact O-CB 3.13Å; W305-Y309 WeakPolarHBondContact O-CD2 3.31Å; W305-Y309 PolarHBondContact O-N 3.18Å; W305-C443 PolarHBondContact NE1-O 3.29Å; W305-F446 AromaticContact CD1-CE2 3.98Å; W305-F446 AromaticContact CD1-CZ 3.45Å; W305-F446 VanDerWaalsContact CD1-CZ 3.45Å; W305-F446 HydrophobicContact CD2-CZ 4.46Å; W305-F446 AromaticContact CE2-CE2 3.93Å; W305-F446 HydrophobicContact CG-CZ 4.13Å; W305-F446 HydrophobicContact CZ2-CE2 4.36Å; W305-F446 AromaticContact NE1-CE2 3.39Å; W305-F446 AromaticContact NE1-CZ 3.38Å |
| 306 | L | 92.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.1 | -36.6 | 176.7 | -168.9 | 71.4 | 0 | 0 | 0 | 111.2 | K303 P304 Y309 G310 L355 F426 L430 | K303-L306 HydrophobicContact CB-CB 3.8Å; K303-L306 HydrophobicContact CB-CD2 4.26Å; K303-L306 HydrophobicContact CD-CD2 3.85Å; K303-L306 VanDerWaalsContact O-CB 3.31Å; K303-L306 WeakPolarHBondContact O-CB 3.4Å; K303-L306 PolarHBondContact O-N 3.4Å; P304-L306 VanDerWaalsContact C-N 3.27Å; P304-L306 PolarHBondContact O-N 3.44Å; L306-Y309 PolarHBondContact O-N 3.33Å; L306-G310 PolarHBondContact O-N 3.42Å; L306-L355 HydrophobicContact CD2-CD1 4.03Å; L306-F426 HydrophobicContact CD1-CD2 4.18Å; L306-F426 HydrophobicContact CD1-CE2 3.34Å; L306-F426 HydrophobicContact CD1-CZ 3.6Å; L306-F426 HydrophobicContact CD2-CZ 4.02Å; L306-F426 HydrophobicContact CG-CE2 3.61Å; L306-F426 HydrophobicContact CG-CZ 3.58Å; L306-F426 WeakPolarHBondContact O-CE2 3.44Å; L306-L430 HydrophobicContact CD1-CB 4.28Å; L306-L430 HydrophobicContact CD1-CD1 4.43Å; L306-L430 HydrophobicContact CD2-CD1 3.78Å |
| 307 | G | 90.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.9 | -45.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | K303 P304 W305 G310 L311 | K303-G307 PolarHBondContact O-N 3.28Å; P304-G307 PolarHBondContact O-N 3.05Å; P304-G307 VanDerWaalsContact O-N 3.14Å; W305-G307 VanDerWaalsContact C-N 3.28Å; W305-G307 PolarHBondContact O-N 3.44Å; G307-G310 PolarHBondContact O-N 3.38Å; G307-L311 PolarHBondContact O-N 3.27Å |
| 308 | I | 93 | Very high | 90.5 | Very high | 54 Ų | 54 | 29.1 Ų | 29.1 | 28% | 0.277 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62.1 | -46.5 | 176 | -59 | 175.4 | 0 | 0 | 0 | 110.8 | L287 V291 P304 W305 G310 L311 L312 | L287-I308 HydrophobicContact CD1-CG1 3.82Å; V291-I308 HydrophobicContact CG2-CG1 4.02Å; P304-I308 PolarHBondContact O-N 3.44Å; W305-I308 HydrophobicContact CE3-CD1 3.83Å; W305-I308 HydrophobicContact CZ3-CD1 4.03Å; W305-I308 PolarHBondContact O-N 2.83Å; I308-G310 VanDerWaalsContact C-N 3.28Å; I308-G310 PolarHBondContact O-N 3.37Å; I308-L311 PolarHBondContact O-N 3.16Å; I308-L312 HydrophobicContact CG2-CD1 4.05Å; I308-L312 HydrophobicContact CG2-CG 4.48Å; I308-L312 WeakPolarHBondContact O-CG 3.29Å; I308-L312 PolarHBondContact O-N 2.83Å |
| 309 | Y | 93 | Very high | 91.3 | Very high | 79 Ų | 79 | 29.5 Ų | 29.5 | 31% | 0.31 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65.2 | -32.3 | 179 | -66.8 | -39.6 | 0 | 0 | 0 | 113 | W305 L306 L312 S313 L429 | W305-Y309 HydrophobicContact CB-CD2 4.26Å; W305-Y309 HydrophobicContact CB-CE2 3.79Å; W305-Y309 WeakPolarHBondContact O-CB 3.13Å; W305-Y309 WeakPolarHBondContact O-CD2 3.31Å; W305-Y309 PolarHBondContact O-N 3.18Å; L306-Y309 PolarHBondContact O-N 3.33Å; Y309-L312 HydrophobicContact CD1-CD1 4.1Å; Y309-L312 PolarHBondContact O-N 3.24Å; Y309-S313 VanDerWaalsContact O-CB 3.29Å; Y309-S313 WeakPolarHBondContact O-CB 3.49Å; Y309-S313 PolarHBondContact O-N 3.48Å; Y309-L429 HydrophobicContact CD1-CD1 4.13Å; Y309-L429 HydrophobicContact CD2-CB 4.34Å; Y309-L429 HydrophobicContact CD2-CD1 4.14Å; Y309-L429 HydrophobicContact CD2-CD2 4.33Å; Y309-L429 HydrophobicContact CE2-CD2 4.44Å; Y309-L429 HydrophobicContact CG-CD1 3.72Å |
| 310 | G | 92.2 | Very high | 92 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.6 | -46.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | L306 G307 I308 S313 A314 | L306-G310 PolarHBondContact O-N 3.42Å; G307-G310 PolarHBondContact O-N 3.38Å; I308-G310 VanDerWaalsContact C-N 3.28Å; I308-G310 PolarHBondContact O-N 3.37Å; G310-S313 WeakPolarHBondContact O-CB 2.98Å; G310-S313 PolarHBondContact O-N 3.45Å; G310-A314 PolarHBondContact O-N 2.87Å |
| 311 | L | 93.1 | Very high | 92.6 | Very high | 24 Ų | 24 | 26.7 Ų | 26.7 | 13% | 0.126 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.3 | -42.2 | 177.3 | -169.4 | 66.7 | 0 | 0 | 0 | 112.3 | L286 G307 I308 S313 A314 T315 L344 V348 | L286-L311 HydrophobicContact CB-CD1 4.21Å; L286-L311 HydrophobicContact CD1-CD1 4.2Å; G307-L311 PolarHBondContact O-N 3.27Å; I308-L311 PolarHBondContact O-N 3.16Å; L311-S313 VanDerWaalsContact C-N 3.34Å; L311-S313 PolarHBondContact O-N 2.69Å; L311-A314 WeakPolarHBondContact O-CB 3.21Å; L311-A314 PolarHBondContact O-N 2.69Å; L311-T315 PolarHBondContact O-N 2.96Å; L311-T315 PolarHBondContact O-OG1 2.89Å; L311-T315 VanDerWaalsContact O-OG1 3.13Å; L311-L344 HydrophobicContact CD1-CD2 3.97Å; L311-V348 HydrophobicContact CD1-CG2 4.44Å |
| 312 | L | 93.6 | Very high | 93.2 | Very high | 70 Ų | 70 | 25.7 Ų | 25.7 | 37% | 0.366 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -61.8 | -41.3 | 175.6 | -74 | 171.3 | 0 | 0 | 0 | 112.1 | I308 Y309 A314 T315 F316 | I308-L312 HydrophobicContact CG2-CD1 4.05Å; I308-L312 HydrophobicContact CG2-CG 4.48Å; I308-L312 WeakPolarHBondContact O-CG 3.29Å; I308-L312 PolarHBondContact O-N 2.83Å; Y309-L312 HydrophobicContact CD1-CD1 4.1Å; Y309-L312 PolarHBondContact O-N 3.24Å; L312-A314 VanDerWaalsContact C-N 3.28Å; L312-A314 PolarHBondContact O-N 3.09Å; L312-T315 PolarHBondContact O-N 2.98Å; L312-F316 WeakPolarHBondContact O-CB 3.41Å; L312-F316 WeakPolarHBondContact O-CD2 3.11Å; L312-F316 VanDerWaalsContact O-CG 3.28Å; L312-F316 WeakPolarHBondContact O-CG 3.41Å; L312-F316 PolarHBondContact O-N 3.19Å |
| 313 | S | 94.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.1 | -43.6 | 175.8 | -173.6 | 0 | 0 | 0 | 0 | 111.4 | Y309 G310 L311 F316 A317 | Y309-S313 VanDerWaalsContact O-CB 3.29Å; Y309-S313 WeakPolarHBondContact O-CB 3.49Å; Y309-S313 PolarHBondContact O-N 3.48Å; G310-S313 WeakPolarHBondContact O-CB 2.98Å; G310-S313 PolarHBondContact O-N 3.45Å; L311-S313 VanDerWaalsContact C-N 3.34Å; L311-S313 PolarHBondContact O-N 2.69Å; S313-F316 PolarHBondContact O-N 3.22Å; S313-A317 PolarHBondContact O-N 3.27Å |
| 314 | A | 93.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 2% | 0.017 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.2 | -41.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G310 L311 L312 F316 A317 I318 L344 S347 | G310-A314 PolarHBondContact O-N 2.87Å; L311-A314 WeakPolarHBondContact O-CB 3.21Å; L311-A314 PolarHBondContact O-N 2.69Å; L312-A314 VanDerWaalsContact C-N 3.28Å; L312-A314 PolarHBondContact O-N 3.09Å; A314-F316 PolarHBondContact O-N 3.32Å; A314-A317 PolarHBondContact O-N 3Å; A314-I318 WeakPolarHBondContact O-CG1 3.21Å; A314-I318 PolarHBondContact O-N 3.42Å; A314-L344 HydrophobicContact CB-CD2 3.62Å; A314-S347 VanDerWaalsContact CB-OG 3.29Å; A314-S347 WeakPolarHBondContact CB-OG 3.4Å |
| 315 | T | 94 | Very high | 93.9 | Very high | 54 Ų | 54 | 28.5 Ų | 28.5 | 33% | 0.331 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -61.6 | -43.6 | 174.8 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | L311 L312 A317 I318 L319 | L311-T315 PolarHBondContact O-N 2.96Å; L311-T315 PolarHBondContact O-OG1 2.89Å; L311-T315 VanDerWaalsContact O-OG1 3.13Å; L312-T315 PolarHBondContact O-N 2.98Å; T315-A317 VanDerWaalsContact C-N 3.35Å; T315-A317 PolarHBondContact O-N 2.98Å; T315-I318 PolarHBondContact O-N 3.43Å; T315-L319 HydrophobicContact CG2-CD1 4.22Å; T315-L319 WeakPolarHBondContact O-CG 3.41Å; T315-L319 PolarHBondContact O-N 2.97Å |
| 316 | F | 95.3 | Very high | 94 | Very high | 48 Ų | 48 | 24.5 Ų | 24.5 | 21% | 0.211 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.5 | -39.9 | 176.4 | -69.3 | -22.3 | 0 | 0 | 0 | 112.4 | V33 S36 L312 S313 A314 L319 T320 Y421 F425 | V33-F316 HydrophobicContact CG2-CD2 4.45Å; V33-F316 HydrophobicContact CG2-CE2 3.87Å; S36-F316 WeakPolarHBondContact OG-CB 3.34Å; S36-F316 PolarHBondContact OG-O 3.33Å; L312-F316 WeakPolarHBondContact O-CB 3.41Å; L312-F316 WeakPolarHBondContact O-CD2 3.11Å; L312-F316 VanDerWaalsContact O-CG 3.28Å; L312-F316 WeakPolarHBondContact O-CG 3.41Å; L312-F316 PolarHBondContact O-N 3.19Å; S313-F316 PolarHBondContact O-N 3.22Å; A314-F316 PolarHBondContact O-N 3.32Å; F316-L319 PolarHBondContact O-N 2.9Å; F316-T320 VanDerWaalsContact O-CB 3.31Å; F316-T320 WeakPolarHBondContact O-CB 3.18Å; F316-T320 PolarHBondContact O-N 3.3Å; F316-T320 PolarHBondContact O-OG1 3.46Å; F316-Y421 HydrophobicContact CB-CD2 3.92Å; F316-Y421 HydrophobicContact CB-CE2 3.66Å; F316-F425 HydrophobicContact CD2-CE1 4.28Å; F316-F425 HydrophobicContact CD2-CZ 4.19Å; F316-F425 HydrophobicContact CE2-CE1 4.41Å; F316-F425 AromaticContact CE2-CZ 3.96Å; F316-F425 HydrophobicContact CE2-CZ 3.96Å |
| 317 | A | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.3 | -45.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S313 A314 T315 T320 S321 C417 T418 Y421 | S313-A317 PolarHBondContact O-N 3.27Å; A314-A317 PolarHBondContact O-N 3Å; T315-A317 VanDerWaalsContact C-N 3.35Å; T315-A317 PolarHBondContact O-N 2.98Å; A317-T320 PolarHBondContact O-N 2.97Å; A317-S321 PolarHBondContact O-N 2.58Å; A317-S321 PolarHBondContact O-OG 2.97Å; A317-C417 HydrophobicContact CB-CB 3.92Å; A317-T418 WeakPolarHBondContact CB-OG1 3.27Å; A317-Y421 HydrophobicContact CB-CD2 4.43Å; A317-Y421 HydrophobicContact CB-CG 4.37Å |
| 318 | I | 95.1 | Very high | 94.1 | Very high | 17 Ų | 17 | 34.2 Ų | 34.2 | 9% | 0.087 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.3 | -46.2 | 177 | -69.5 | 163.4 | 0 | 0 | 0 | 111.5 | A314 T315 T320 S321 T322 M339 P340 V343 L344 | A314-I318 WeakPolarHBondContact O-CG1 3.21Å; A314-I318 PolarHBondContact O-N 3.42Å; T315-I318 PolarHBondContact O-N 3.43Å; I318-T320 VanDerWaalsContact C-N 3.28Å; I318-T320 PolarHBondContact O-N 3.38Å; I318-S321 PolarHBondContact O-N 3.16Å; I318-S321 PolarHBondContact O-OG 3.1Å; I318-T322 WeakPolarHBondContact O-CB 3.29Å; I318-T322 PolarHBondContact O-N 3.31Å; I318-T322 PolarHBondContact O-OG1 3.32Å; I318-T322 VanDerWaalsContact O-OG1 3.04Å; I318-M339 HydrophobicContact CB-CE 4.5Å; I318-M339 HydrophobicContact CG1-CE 4.41Å; I318-M339 HydrophobicContact CG2-CE 3.67Å; I318-P340 HydrophobicContact CD1-CB 4.13Å; I318-P340 HydrophobicContact CG2-CG 4.43Å; I318-V343 HydrophobicContact CD1-CB 4.1Å; I318-V343 HydrophobicContact CD1-CG1 4.01Å; I318-V343 HydrophobicContact CG1-CB 4.24Å; I318-V343 HydrophobicContact CG1-CG1 3.83Å; I318-L344 HydrophobicContact CD1-CD2 3.88Å; I318-L344 HydrophobicContact CD1-CG 3.9Å |
| 319 | L | 95 | Very high | 94 | Very high | 62 Ų | 62 | 38.4 Ų | 38.4 | 33% | 0.325 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.1 | -36.4 | 177.5 | -69.8 | 174.1 | 0 | 0 | 0 | 111.9 | I43 T315 F316 G323 | I43-L319 HydrophobicContact CD1-CD2 4.2Å; T315-L319 HydrophobicContact CG2-CD1 4.22Å; T315-L319 WeakPolarHBondContact O-CG 3.41Å; T315-L319 PolarHBondContact O-N 2.97Å; F316-L319 PolarHBondContact O-N 2.9Å; L319-G323 WeakPolarHBondContact O-CA 3.39Å; L319-G323 PolarHBondContact O-N 3.1Å |
| 320 | T | 96.5 | Very high | 93.8 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.4 | -48 | 178.8 | -53.7 | 0 | 0 | 0 | 0 | 110.8 | L35 S36 C39 F316 A317 I318 G323 I324 Y421 | L35-T320 HydrophobicContact CD2-CG2 4.33Å; L35-T320 HydrophobicContact CG-CG2 4.21Å; S36-T320 WeakPolarHBondContact CA-OG1 3.04Å; S36-T320 WeakPolarHBondContact CB-OG1 3.36Å; S36-T320 PolarHBondContact OG-OG1 3.22Å; C39-T320 HydrophobicContact CB-CG2 4.11Å; F316-T320 VanDerWaalsContact O-CB 3.31Å; F316-T320 WeakPolarHBondContact O-CB 3.18Å; F316-T320 PolarHBondContact O-N 3.3Å; F316-T320 PolarHBondContact O-OG1 3.46Å; A317-T320 PolarHBondContact O-N 2.97Å; I318-T320 VanDerWaalsContact C-N 3.28Å; I318-T320 PolarHBondContact O-N 3.38Å; T320-G323 PolarHBondContact O-N 3.12Å; T320-I324 HydrophobicContact CG2-CD1 4.01Å; T320-I324 VanDerWaalsContact O-CG1 3.25Å; T320-I324 WeakPolarHBondContact O-CG1 3.4Å; T320-I324 PolarHBondContact O-N 3.21Å; T320-Y421 PolarHBondContact OG1-OH 3.02Å |
| 321 | S | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.9 | -48.1 | 178.8 | 58 | 0 | 0 | 0 | 0 | 112.2 | A317 I318 G323 I324 L325 L413 A414 | A317-S321 PolarHBondContact O-N 2.58Å; A317-S321 PolarHBondContact O-OG 2.97Å; I318-S321 PolarHBondContact O-N 3.16Å; I318-S321 PolarHBondContact O-OG 3.1Å; S321-G323 VanDerWaalsContact C-N 3.34Å; S321-G323 PolarHBondContact O-N 2.85Å; S321-I324 PolarHBondContact O-N 2.93Å; S321-L325 WeakPolarHBondContact O-CG 3.34Å; S321-L325 PolarHBondContact O-N 3.22Å; S321-L325 VanDerWaalsContact O-N 3.15Å; S321-L413 WeakPolarHBondContact O-CD2 3.13Å; S321-A414 WeakPolarHBondContact OG-CA 3.29Å; S321-A414 WeakPolarHBondContact OG-CB 3.37Å |
| 322 | T | 93.9 | Very high | 93.1 | Very high | 18 Ų | 18 | 41.1 Ų | 41.1 | 11% | 0.11 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.1 | -41.9 | 177.9 | -55.9 | 0 | 0 | 0 | 0 | 110.5 | I43 I318 I324 L325 F326 | I43-T322 HydrophobicContact CD1-CG2 4.02Å; I43-T322 HydrophobicContact CG1-CG2 4.3Å; I318-T322 WeakPolarHBondContact O-CB 3.29Å; I318-T322 PolarHBondContact O-N 3.31Å; I318-T322 PolarHBondContact O-OG1 3.32Å; I318-T322 VanDerWaalsContact O-OG1 3.04Å; T322-I324 PolarHBondContact O-N 3.44Å; T322-L325 PolarHBondContact O-N 2.91Å; T322-F326 HydrophobicContact CG2-CD2 3.78Å; T322-F326 HydrophobicContact CG2-CE2 3.55Å; T322-F326 HydrophobicContact CG2-CZ 4.26Å; T322-F326 WeakPolarHBondContact O-CB 3.45Å; T322-F326 WeakPolarHBondContact O-CD2 3.39Å; T322-F326 PolarHBondContact O-N 3.33Å |
| 323 | G | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.6 | -41.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | C39 L319 T320 S321 F326 Y327 | C39-G323 WeakPolarHBondContact O-CA 3.25Å; L319-G323 WeakPolarHBondContact O-CA 3.39Å; L319-G323 PolarHBondContact O-N 3.1Å; T320-G323 PolarHBondContact O-N 3.12Å; S321-G323 VanDerWaalsContact C-N 3.34Å; S321-G323 PolarHBondContact O-N 2.85Å; G323-F326 PolarHBondContact O-N 2.79Å; G323-Y327 WeakPolarHBondContact O-CD2 3.47Å; G323-Y327 PolarHBondContact O-N 3.45Å |
| 324 | I | 95 | Very high | 92 | Very high | 64 Ų | 64 | 38.7 Ų | 38.7 | 33% | 0.328 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.9 | -47 | 175.2 | -70.5 | 164.6 | 0 | 0 | 0 | 110.7 | T320 S321 T322 F326 Y327 C328 L413 | T320-I324 HydrophobicContact CG2-CD1 4.01Å; T320-I324 VanDerWaalsContact O-CG1 3.25Å; T320-I324 WeakPolarHBondContact O-CG1 3.4Å; T320-I324 PolarHBondContact O-N 3.21Å; S321-I324 PolarHBondContact O-N 2.93Å; T322-I324 PolarHBondContact O-N 3.44Å; I324-F326 VanDerWaalsContact C-N 3.3Å; I324-F326 PolarHBondContact O-N 3.23Å; I324-Y327 PolarHBondContact O-N 2.9Å; I324-C328 PolarHBondContact O-N 3.47Å; I324-C328 VanDerWaalsContact O-N 3.16Å; I324-C328 PolarHBondContact O-SG 2.93Å; I324-L413 HydrophobicContact CB-CD2 4.28Å; I324-L413 HydrophobicContact CG2-CD2 4.17Å |
| 325 | L | 94.1 | Very high | 91.4 | Very high | 15 Ų | 15 | 39 Ų | 39 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.8 | -37.9 | -180 | -69.9 | 170.3 | 0 | 0 | 0 | 111.9 | S321 T322 C328 R329 Y330 T409 H410 L413 | S321-L325 WeakPolarHBondContact O-CG 3.34Å; S321-L325 PolarHBondContact O-N 3.22Å; S321-L325 VanDerWaalsContact O-N 3.15Å; T322-L325 PolarHBondContact O-N 2.91Å; L325-C328 CarbonylContact O-C 3.17Å; L325-C328 WeakPolarHBondContact O-CB 3.49Å; L325-C328 PolarHBondContact O-N 3.49Å; L325-R329 PolarHBondContact O-N 3.18Å; L325-Y330 HydrophobicContact CD2-CD1 4.05Å; L325-Y330 HydrophobicContact CD2-CG 4.22Å; L325-Y330 WeakPolarHBondContact O-CB 3.1Å; L325-Y330 PolarHBondContact O-N 2.76Å; L325-T409 HydrophobicContact CD2-CG2 4.14Å; L325-H410 HydrophobicContact CD1-CB 4.19Å; L325-H410 WeakPolarHBondContact CD1-CD2 3.43Å; L325-L413 HydrophobicContact CD1-CD2 3.98Å; L325-L413 HydrophobicContact CD2-CD2 4Å; L325-L413 HydrophobicContact CG-CD2 3.67Å |
| 326 | F | 92.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.2 | -37.6 | 176.6 | -84.7 | -125.8 | 0 | 0 | 0 | 112.4 | I43 N46 L49 M50 T322 G323 I324 C328 R329 Y332 | I43-F326 HydrophobicContact CB-CD1 4.43Å; I43-F326 HydrophobicContact CG2-CD1 4.36Å; I43-F326 HydrophobicContact CG2-CE1 4.28Å; N46-F326 HydrophobicContact CB-CD1 4.28Å; N46-F326 PolarHBondContact ND2-O 2.96Å; N46-F326 WeakPolarHBondContact O-CD1 3.46Å; L49-F326 HydrophobicContact CB-CE1 4.21Å; L49-F326 HydrophobicContact CD1-CD1 4.38Å; M50-F326 HydrophobicContact CG-CE1 3.59Å; M50-F326 HydrophobicContact CG-CZ 3.52Å; M50-F326 HydrophobicContact SD-CE1 4.18Å; M50-F326 HydrophobicContact SD-CZ 4.26Å; T322-F326 HydrophobicContact CG2-CD2 3.78Å; T322-F326 HydrophobicContact CG2-CE2 3.55Å; T322-F326 HydrophobicContact CG2-CZ 4.26Å; T322-F326 WeakPolarHBondContact O-CB 3.45Å; T322-F326 WeakPolarHBondContact O-CD2 3.39Å; T322-F326 PolarHBondContact O-N 3.33Å; G323-F326 PolarHBondContact O-N 2.79Å; I324-F326 VanDerWaalsContact C-N 3.3Å; I324-F326 PolarHBondContact O-N 3.23Å; F326-C328 PolarHBondContact O-N 2.82Å; F326-R329 WeakPolarHBondContact O-CA 3.47Å; F326-R329 PolarHBondContact O-N 3.24Å; F326-Y332 AromaticContact CE2-CD2 3.83Å; F326-Y332 HydrophobicContact CE2-CD2 3.83Å; F326-Y332 AromaticContact CZ-CD2 3.81Å; F326-Y332 HydrophobicContact CZ-CD2 3.81Å; F326-Y332 HydrophobicContact CZ-CE2 4.4Å; F326-Y332 HydrophobicContact CZ-CG 4.24Å |
| 327 | Y | 92.5 | Very high | 90.9 | Very high | 109 Ų | 109 | 36 Ų | 36 | 43% | 0.427 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.3 | -34.1 | 171.1 | -85.4 | -60.3 | 0 | 0 | 0 | 112.6 | A38 G42 L45 G323 I324 R329 | A38-Y327 WeakPolarHBondContact O-CE2 3.16Å; A38-Y327 PolarHBondContact O-OH 3.26Å; G42-Y327 VanDerWaalsContact CA-CE2 3.49Å; G42-Y327 VanDerWaalsContact CA-CZ 3.43Å; G42-Y327 PolarHBondContact N-OH 3.08Å; L45-Y327 HydrophobicContact CD1-CE1 4.07Å; G323-Y327 WeakPolarHBondContact O-CD2 3.47Å; G323-Y327 PolarHBondContact O-N 3.45Å; I324-Y327 PolarHBondContact O-N 2.9Å; Y327-R329 PolarHBondContact O-N 3.15Å |
| 328 | C | 92 | Very high | 90.5 | Very high | 96 Ų | 96 | 36.4 Ų | 36.4 | 65% | 0.649 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | 2 | 173.9 | -64 | 0 | 0 | 0 | 0 | 113.6 | I324 L325 F326 Y330 | I324-C328 PolarHBondContact O-N 3.47Å; I324-C328 VanDerWaalsContact O-N 3.16Å; I324-C328 PolarHBondContact O-SG 2.93Å; L325-C328 CarbonylContact O-C 3.17Å; L325-C328 WeakPolarHBondContact O-CB 3.49Å; L325-C328 PolarHBondContact O-N 3.49Å; F326-C328 PolarHBondContact O-N 2.82Å; C328-Y330 PolarHBondContact O-N 3.05Å |
| 329 | R | 89.7 | Confident | 90.3 | Very high | 143 Ų | 143 | 35.8 Ų | 35.8 | 54% | 0.54 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 36.7 | -170.2 | -60 | -170.8 | 71.4 | 97.1 | 1.8 | 113.4 | N46 D48 L49 L325 F326 Y327 | N46-R329 PolarHBondContact OD1-NH1 3.35Å; D48-R329 IonicContact OD2-CZ 2.83Å; D48-R329 IonicContact OD2-NH2 2.64Å; D48-R329 PolarHBondContact OD2-NH2 3.17Å; L49-R329 HydrophobicContact CD1-CB 4.35Å; L325-R329 PolarHBondContact O-N 3.18Å; F326-R329 WeakPolarHBondContact O-CA 3.47Å; F326-R329 PolarHBondContact O-N 3.24Å; Y327-R329 PolarHBondContact O-N 3.15Å |
| 330 | Y | 89.4 | Confident | 90.1 | Very high | 68 Ų | 68 | 33.5 Ų | 33.5 | 27% | 0.267 | 17% | 0.167 | S | C | . | . | trans | -71.9 | 140.5 | 176.8 | -166.2 | -110.3 | 0 | 0 | 0 | 110.3 | L325 C328 V406 T409 H410 | L325-Y330 HydrophobicContact CD2-CD1 4.05Å; L325-Y330 HydrophobicContact CD2-CG 4.22Å; L325-Y330 WeakPolarHBondContact O-CB 3.1Å; L325-Y330 PolarHBondContact O-N 2.76Å; C328-Y330 PolarHBondContact O-N 3.05Å; Y330-V406 HydrophobicContact CE1-CB 4.28Å; Y330-V406 HydrophobicContact CE1-CG1 4.11Å; Y330-V406 HydrophobicContact CE1-CG2 4.12Å; Y330-T409 HydrophobicContact CE1-CG2 3.94Å; Y330-T409 PolarHBondContact OH-OG1 3.46Å; Y330-H410 AromaticContact CD1-CE1 3.73Å | ||
| 331 | S | 84.4 | Confident | 89.7 | Confident | 64 Ų | 64 | 33.4 Ų | 33.4 | 45% | 0.448 | 17% | 0.167 | S | C | . | . | trans | -58.5 | 153 | -176.1 | -54.1 | 0 | 0 | 0 | 0 | 112.4 | V406 H410 | S331-V406 WeakPolarHBondContact O-CG1 3.21Å; S331-H410 PolarHBondContact O-CE1 2.96Å | ||
| 332 | Y | 85.6 | Confident | 89.3 | Confident | 28 Ų | 28 | 33.9 Ų | 33.9 | 11% | 0.11 | 17% | 0.169 | C | C | . | . | trans | -124 | 131 | 178.4 | -177.3 | -93.3 | 0 | 0 | 0 | 110.1 | L49 M50 F326 V336 M337 | L49-Y332 WeakPolarHBondContact O-CB 3.34Å; M50-Y332 HydrophobicContact CG-CD1 4.42Å; M50-Y332 HydrophobicContact CG-CE1 4.47Å; F326-Y332 AromaticContact CE2-CD2 3.83Å; F326-Y332 HydrophobicContact CE2-CD2 3.83Å; F326-Y332 AromaticContact CZ-CD2 3.81Å; F326-Y332 HydrophobicContact CZ-CD2 3.81Å; F326-Y332 HydrophobicContact CZ-CE2 4.4Å; F326-Y332 HydrophobicContact CZ-CG 4.24Å; Y332-V336 HydrophobicContact CD2-CB 4.22Å; Y332-V336 HydrophobicContact CD2-CG1 4.24Å; Y332-V336 HydrophobicContact CD2-CG2 4.43Å; Y332-V336 HydrophobicContact CE2-CB 3.64Å; Y332-V336 HydrophobicContact CE2-CG1 3.59Å; Y332-V336 HydrophobicContact CE2-CG2 4.33Å; Y332-M337 WeakPolarHBondContact OH-CE 3.49Å; Y332-M337 VanDerWaalsContact OH-CG 3.22Å; Y332-M337 WeakPolarHBondContact OH-CG 3.41Å; Y332-M337 PolarHBondContact OH-SD 3.39Å | ||
| 333 | V | 83.5 | Confident | 89.2 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | trans | -114.9 | 145.9 | 174.8 | -63.1 | 0 | 0 | 0 | 0 | 110.6 | M335 V336 A403 V406 | V333-M335 HydrophobicContact CG2-CB 4.28Å; V333-M335 HydrophobicContact CG2-CE 4.22Å; V333-M335 PolarHBondContact O-N 3.4Å; V333-V336 HydrophobicContact CG2-CG2 3.86Å; V333-V336 WeakPolarHBondContact O-CB 3.17Å; V333-V336 WeakPolarHBondContact O-CG2 3.11Å; V333-V336 PolarHBondContact O-N 3.44Å; V333-A403 HydrophobicContact CG1-CB 4.28Å; V333-V406 HydrophobicContact CG1-CB 4.29Å; V333-V406 HydrophobicContact CG1-CG1 4.2Å; V333-V406 HydrophobicContact CG2-CB 4.21Å; V333-V406 HydrophobicContact CG2-CG1 3.91Å | ||
| 334 | P | 82.1 | Confident | 89.1 | Confident | 19 Ų | 19 | 33.7 Ų | 33.7 | 12% | 0.123 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -55.5 | -25.9 | -177.2 | -28.2 | 36 | 0 | 0 | 0 | 114.6 | I268 V336 M337 | I268-P334 HydrophobicContact CG2-CB 4.36Å; I268-P334 HydrophobicContact CG2-CG 4.12Å; P334-V336 PolarHBondContact O-N 2.91Å; P334-M337 PolarHBondContact O-N 2.95Å |
| 335 | M | 82.2 | Confident | 88.7 | Confident | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.039 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -62.7 | -24.4 | 176 | -65.3 | -175.6 | -70.5 | 0 | 0 | 113.7 | F61 V333 M337 M338 A403 F407 M748 I749 I752 M814 | F61-M335 HydrophobicContact CE1-CE 4.19Å; V333-M335 HydrophobicContact CG2-CB 4.28Å; V333-M335 HydrophobicContact CG2-CE 4.22Å; V333-M335 PolarHBondContact O-N 3.4Å; M335-M337 PolarHBondContact O-N 2.78Å; M335-M337 VanDerWaalsContact O-N 3.13Å; M335-M338 WeakPolarHBondContact O-CB 3.44Å; M335-M338 PolarHBondContact O-N 3.47Å; M335-A403 HydrophobicContact CE-CB 3.59Å; M335-F407 HydrophobicContact CB-CD2 4.21Å; M335-F407 WeakPolarHBondContact O-CE2 3.37Å; M335-M748 HydrophobicContact CE-CE 3.83Å; M335-M748 HydrophobicContact SD-CE 4.42Å; M335-I749 HydrophobicContact SD-CG1 4.13Å; M335-I752 HydrophobicContact SD-CD1 4.44Å; M335-M814 HydrophobicContact CG-CE 4.06Å; M335-M814 HydrophobicContact CG-SD 3.79Å; M335-M814 HydrophobicContact SD-CE 4.42Å |
| 336 | V | 89.6 | Confident | 88.5 | Confident | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.03 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -59.6 | -24.9 | 178.1 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | Y332 V333 P334 M338 M339 V406 H410 | Y332-V336 HydrophobicContact CD2-CB 4.22Å; Y332-V336 HydrophobicContact CD2-CG1 4.24Å; Y332-V336 HydrophobicContact CD2-CG2 4.43Å; Y332-V336 HydrophobicContact CE2-CB 3.64Å; Y332-V336 HydrophobicContact CE2-CG1 3.59Å; Y332-V336 HydrophobicContact CE2-CG2 4.33Å; V333-V336 HydrophobicContact CG2-CG2 3.86Å; V333-V336 WeakPolarHBondContact O-CB 3.17Å; V333-V336 WeakPolarHBondContact O-CG2 3.11Å; V333-V336 PolarHBondContact O-N 3.44Å; P334-V336 PolarHBondContact O-N 2.91Å; V336-M338 PolarHBondContact O-N 2.79Å; V336-M338 VanDerWaalsContact O-N 3.12Å; V336-M339 VanDerWaalsContact O-CB 3.24Å; V336-M339 WeakPolarHBondContact O-CB 3.49Å; V336-M339 PolarHBondContact O-N 3.19Å; V336-V406 HydrophobicContact CG2-CG1 4.42Å; V336-H410 HydrophobicContact CG1-CB 4.09Å; V336-H410 HydrophobicContact CG2-CB 4.37Å |
| 337 | M | 89.1 | Confident | 88.4 | Confident | 35 Ų | 35 | 31.1 Ų | 31.1 | 17% | 0.172 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -63.3 | -14.8 | 174.3 | -73.9 | -54.3 | -171.6 | 0 | 0 | 114.5 | M50 L275 Y332 P334 M335 P340 | M50-M337 HydrophobicContact CE-CE 3.53Å; L275-M337 HydrophobicContact CD1-CB 3.81Å; Y332-M337 WeakPolarHBondContact OH-CE 3.49Å; Y332-M337 VanDerWaalsContact OH-CG 3.22Å; Y332-M337 WeakPolarHBondContact OH-CG 3.41Å; Y332-M337 PolarHBondContact OH-SD 3.39Å; P334-M337 PolarHBondContact O-N 2.95Å; M335-M337 PolarHBondContact O-N 2.78Å; M335-M337 VanDerWaalsContact O-N 3.13Å; M337-P340 WeakPolarHBondContact O-CD 3.42Å |
| 338 | M | 87.1 | Confident | 88.3 | Confident | 8 Ų | 8 | 25.9 Ų | 25.9 | 4% | 0.039 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -81 | -23.4 | 173.2 | -59.2 | -168.9 | -175.1 | 0 | 0 | 113 | L275 M335 V336 P340 F341 M814 V815 F818 | L275-M338 HydrophobicContact CD1-CG 4.04Å; M335-M338 WeakPolarHBondContact O-CB 3.44Å; M335-M338 PolarHBondContact O-N 3.47Å; V336-M338 PolarHBondContact O-N 2.79Å; V336-M338 VanDerWaalsContact O-N 3.12Å; M338-P340 VanDerWaalsContact C-CD 3.48Å; M338-F341 PolarHBondContact O-N 2.9Å; M338-M814 HydrophobicContact CE-CB 4.37Å; M338-M814 HydrophobicContact CE-CG 3.58Å; M338-M814 HydrophobicContact CE-SD 3.49Å; M338-M814 WeakPolarHBondContact CE-SD 3.07Å; M338-V815 HydrophobicContact CE-CB 4.33Å; M338-V815 HydrophobicContact CE-CG2 3.42Å; M338-V815 VanDerWaalsContact CE-CG2 3.42Å; M338-F818 HydrophobicContact SD-CB 4.2Å; M338-F818 HydrophobicContact SD-CD2 4.22Å; M338-F818 HydrophobicContact SD-CG 4.13Å |
| 339 | M | 90.8 | Very high | 88.1 | Confident | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.02 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -52.8 | -45.3 | -177.2 | 173.9 | -166 | 78.7 | 0 | 0 | 113.6 | I318 V336 F341 L342 V343 F407 H410 C411 A414 | I318-M339 HydrophobicContact CB-CE 4.5Å; I318-M339 HydrophobicContact CG1-CE 4.41Å; I318-M339 HydrophobicContact CG2-CE 3.67Å; V336-M339 VanDerWaalsContact O-CB 3.24Å; V336-M339 WeakPolarHBondContact O-CB 3.49Å; V336-M339 PolarHBondContact O-N 3.19Å; M339-F341 VanDerWaalsContact C-N 3.28Å; M339-F341 PolarHBondContact O-N 3.32Å; M339-L342 PolarHBondContact O-N 3.12Å; M339-L342 VanDerWaalsContact O-N 3.12Å; M339-V343 HydrophobicContact CG-CG2 3.72Å; M339-V343 WeakPolarHBondContact O-CG2 3.47Å; M339-V343 PolarHBondContact O-N 3.35Å; M339-F407 HydrophobicContact CB-CE2 4.49Å; M339-H410 VanDerWaalsContact SD-C 3.57Å; M339-H410 HydrophobicContact SD-CB 3.95Å; M339-C411 HydrophobicContact CG-CB 4.5Å; M339-C411 VanDerWaalsContact CG-SG 3.56Å; M339-A414 HydrophobicContact CE-CB 4.09Å; M339-A414 HydrophobicContact CG-CB 4.48Å; M339-A414 HydrophobicContact SD-CB 3.61Å |
| 340 | P | 91.4 | Very high | 88.1 | Confident | 15 Ų | 15 | 15.8 Ų | 15.8 | 10% | 0.097 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60 | -34.6 | -178 | -26.7 | 37.2 | 0 | 0 | 0 | 114.1 | F279 I318 M337 M338 L342 V343 L344 | F279-P340 HydrophobicContact CE1-CB 3.68Å; F279-P340 HydrophobicContact CE1-CG 3.93Å; F279-P340 HydrophobicContact CZ-CB 4.32Å; F279-P340 HydrophobicContact CZ-CG 4.15Å; I318-P340 HydrophobicContact CD1-CB 4.13Å; I318-P340 HydrophobicContact CG2-CG 4.43Å; M337-P340 WeakPolarHBondContact O-CD 3.42Å; M338-P340 VanDerWaalsContact C-CD 3.48Å; P340-L342 PolarHBondContact O-N 3.47Å; P340-V343 PolarHBondContact O-N 3.32Å; P340-L344 HydrophobicContact CB-CD1 4.45Å; P340-L344 VanDerWaalsContact O-CB 3.23Å; P340-L344 WeakPolarHBondContact O-CB 3.33Å; P340-L344 WeakPolarHBondContact O-CD1 3.23Å; P340-L344 WeakPolarHBondContact O-CG 3.49Å; P340-L344 PolarHBondContact O-N 3.37Å |
| 341 | F | 88.3 | Confident | 88.2 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.2 | -36 | 178.7 | -67.2 | -93.8 | 0 | 0 | 0 | 111.4 | L275 F279 L282 M338 M339 S345 L807 | L275-F341 HydrophobicContact CB-CE2 4.49Å; L275-F341 HydrophobicContact CD2-CE2 4.36Å; F279-F341 HydrophobicContact CD1-CZ 4.47Å; F279-F341 HydrophobicContact CD2-CE2 4.42Å; F279-F341 HydrophobicContact CD2-CZ 4.2Å; F279-F341 HydrophobicContact CE1-CE2 4.08Å; F279-F341 HydrophobicContact CE1-CZ 4.43Å; F279-F341 AromaticContact CE2-CE2 3.92Å; F279-F341 HydrophobicContact CE2-CE2 3.92Å; F279-F341 HydrophobicContact CE2-CZ 4.15Å; F279-F341 HydrophobicContact CG-CZ 4.37Å; F279-F341 AromaticContact CZ-CE2 3.73Å; F279-F341 HydrophobicContact CZ-CE2 3.73Å; F279-F341 HydrophobicContact CZ-CZ 4.26Å; L282-F341 HydrophobicContact CB-CD1 4.31Å; L282-F341 HydrophobicContact CB-CE1 4.05Å; L282-F341 HydrophobicContact CD1-CD1 4.14Å; L282-F341 HydrophobicContact CD2-CB 4.43Å; L282-F341 HydrophobicContact CD2-CD1 3.55Å; L282-F341 HydrophobicContact CD2-CE1 3.86Å; L282-F341 HydrophobicContact CD2-CG 4.03Å; L282-F341 HydrophobicContact CG-CD1 4.2Å; L282-F341 HydrophobicContact CG-CE1 4.41Å; M338-F341 PolarHBondContact O-N 2.9Å; M339-F341 VanDerWaalsContact C-N 3.28Å; M339-F341 PolarHBondContact O-N 3.32Å; F341-S345 PolarHBondContact O-OG 3.45Å; F341-L807 HydrophobicContact CB-CD1 4.21Å; F341-L807 HydrophobicContact CD1-CD1 3.9Å; F341-L807 HydrophobicContact CD1-CD2 3.84Å; F341-L807 HydrophobicContact CD1-CG 3.82Å; F341-L807 HydrophobicContact CD2-CD1 4.31Å; F341-L807 HydrophobicContact CD2-CD2 4.42Å; F341-L807 HydrophobicContact CE1-CD1 4.41Å; F341-L807 HydrophobicContact CE1-CD2 3.48Å; F341-L807 VanDerWaalsContact CE1-CD2 3.48Å; F341-L807 HydrophobicContact CE1-CG 3.96Å; F341-L807 HydrophobicContact CE2-CD2 4.09Å; F341-L807 HydrophobicContact CG-CD1 3.88Å; F341-L807 HydrophobicContact CG-CD2 4.33Å; F341-L807 HydrophobicContact CG-CG 4.3Å; F341-L807 HydrophobicContact CZ-CD2 3.62Å |
| 342 | L | 86.8 | Confident | 88.4 | Confident | 10 Ų | 10 | 10.4 Ų | 10.4 | 5% | 0.052 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -78.4 | -53.7 | 176.2 | -177.2 | 138.1 | 0 | 0 | 0 | 112.1 | M339 P340 L344 S345 V346 F393 M756 L760 F818 | M339-L342 PolarHBondContact O-N 3.12Å; M339-L342 VanDerWaalsContact O-N 3.12Å; P340-L342 PolarHBondContact O-N 3.47Å; L342-L344 VanDerWaalsContact C-N 3.35Å; L342-L344 PolarHBondContact O-N 3.07Å; L342-S345 WeakPolarHBondContact O-CB 3.41Å; L342-S345 PolarHBondContact O-N 3Å; L342-S345 VanDerWaalsContact O-N 3.09Å; L342-V346 HydrophobicContact CD2-CG2 4.38Å; L342-V346 PolarHBondContact O-N 3.4Å; L342-V346 VanDerWaalsContact O-N 3.09Å; L342-F393 HydrophobicContact CD1-CZ 4.24Å; L342-F393 HydrophobicContact CD2-CE2 4.04Å; L342-F393 HydrophobicContact CD2-CZ 3.94Å; L342-M756 HydrophobicContact CD1-CE 3.98Å; L342-M756 HydrophobicContact CD1-CG 3.87Å; L342-M756 HydrophobicContact CD1-SD 3.09Å; L342-M756 WeakPolarHBondContact CD1-SD 3.42Å; L342-L760 HydrophobicContact CD1-CD1 4.22Å; L342-F818 HydrophobicContact CB-CZ 4.43Å; L342-F818 HydrophobicContact CD1-CZ 4.24Å |
| 343 | V | 91.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.7 | -37.7 | -172.4 | 175.6 | 0 | 0 | 0 | 0 | 112 | I318 M339 P340 S345 S347 A414 L415 T418 | I318-V343 HydrophobicContact CD1-CB 4.1Å; I318-V343 HydrophobicContact CD1-CG1 4.01Å; I318-V343 HydrophobicContact CG1-CB 4.24Å; I318-V343 HydrophobicContact CG1-CG1 3.83Å; M339-V343 HydrophobicContact CG-CG2 3.72Å; M339-V343 WeakPolarHBondContact O-CG2 3.47Å; M339-V343 PolarHBondContact O-N 3.35Å; P340-V343 PolarHBondContact O-N 3.32Å; V343-S345 VanDerWaalsContact C-N 3.29Å; V343-S345 PolarHBondContact O-N 3.48Å; V343-S347 VanDerWaalsContact O-CB 3.32Å; V343-S347 WeakPolarHBondContact O-CB 3.38Å; V343-S347 PolarHBondContact O-N 3.42Å; V343-S347 PolarHBondContact O-OG 3.42Å; V343-A414 HydrophobicContact CG1-CB 4.42Å; V343-A414 HydrophobicContact CG2-CB 4.08Å; V343-L415 HydrophobicContact CG2-CD2 4.37Å; V343-T418 WeakPolarHBondContact CG1-OG1 3.28Å |
| 344 | L | 92.6 | Very high | 88.7 | Confident | 14 Ų | 14 | 11.1 Ų | 11.1 | 7% | 0.073 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -63.3 | -37.8 | 176 | -68.7 | 172 | 0 | 0 | 0 | 111.4 | L282 L286 L311 A314 I318 P340 L342 S347 V348 | L282-L344 HydrophobicContact CD2-CD1 3.7Å; L286-L344 HydrophobicContact CD1-CB 3.66Å; L286-L344 HydrophobicContact CD1-CD1 4.49Å; L311-L344 HydrophobicContact CD1-CD2 3.97Å; A314-L344 HydrophobicContact CB-CD2 3.62Å; I318-L344 HydrophobicContact CD1-CD2 3.88Å; I318-L344 HydrophobicContact CD1-CG 3.9Å; P340-L344 HydrophobicContact CB-CD1 4.45Å; P340-L344 VanDerWaalsContact O-CB 3.23Å; P340-L344 WeakPolarHBondContact O-CB 3.33Å; P340-L344 WeakPolarHBondContact O-CD1 3.23Å; P340-L344 WeakPolarHBondContact O-CG 3.49Å; P340-L344 PolarHBondContact O-N 3.37Å; L342-L344 VanDerWaalsContact C-N 3.35Å; L342-L344 PolarHBondContact O-N 3.07Å; L344-S347 PolarHBondContact O-N 2.95Å; L344-V348 WeakPolarHBondContact O-CG2 3.35Å; L344-V348 PolarHBondContact O-N 3.02Å; L344-V348 VanDerWaalsContact O-N 3.07Å |
| 345 | S | 88.3 | Confident | 89 | Confident | 8 Ų | 8 | 10.3 Ų | 10.3 | 6% | 0.056 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -69.6 | -47.7 | -179.2 | -54.1 | 0 | 0 | 0 | 0 | 111.7 | F341 L342 V343 S347 V348 D349 L799 G803 | F341-S345 PolarHBondContact O-OG 3.45Å; L342-S345 WeakPolarHBondContact O-CB 3.41Å; L342-S345 PolarHBondContact O-N 3Å; L342-S345 VanDerWaalsContact O-N 3.09Å; V343-S345 VanDerWaalsContact C-N 3.29Å; V343-S345 PolarHBondContact O-N 3.48Å; S345-S347 PolarHBondContact O-N 3.23Å; S345-V348 PolarHBondContact O-N 3.02Å; S345-D349 PolarHBondContact O-N 2.89Å; S345-L799 WeakPolarHBondContact O-CD2 3.28Å; S345-G803 WeakPolarHBondContact OG-CA 3.36Å |
| 346 | V | 88.3 | Confident | 89 | Confident | 15 Ų | 15 | 13 Ų | 13 | 9% | 0.091 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -58.7 | -39.7 | 173.2 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | L342 V348 D349 N350 T385 L415 L760 | L342-V346 HydrophobicContact CD2-CG2 4.38Å; L342-V346 PolarHBondContact O-N 3.4Å; L342-V346 VanDerWaalsContact O-N 3.09Å; V346-V348 PolarHBondContact O-N 3.23Å; V346-D349 WeakPolarHBondContact O-CB 3.2Å; V346-D349 PolarHBondContact O-N 3.25Å; V346-N350 PolarHBondContact O-N 3.01Å; V346-T385 HydrophobicContact CG1-CG2 4.36Å; V346-L415 HydrophobicContact CG1-CD2 4.18Å; V346-L760 HydrophobicContact CG2-CD2 4.01Å |
| 347 | S | 91.5 | Very high | 88.8 | Confident | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.007 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.7 | -40.1 | 179.8 | -61.8 | 0 | 0 | 0 | 0 | 113.6 | A314 V343 L344 S345 D349 N350 V351 T418 Q422 | A314-S347 VanDerWaalsContact CB-OG 3.29Å; A314-S347 WeakPolarHBondContact CB-OG 3.4Å; V343-S347 VanDerWaalsContact O-CB 3.32Å; V343-S347 WeakPolarHBondContact O-CB 3.38Å; V343-S347 PolarHBondContact O-N 3.42Å; V343-S347 PolarHBondContact O-OG 3.42Å; L344-S347 PolarHBondContact O-N 2.95Å; S345-S347 PolarHBondContact O-N 3.23Å; S347-D349 VanDerWaalsContact C-N 3.27Å; S347-D349 PolarHBondContact O-N 3.42Å; S347-N350 PolarHBondContact O-N 3.12Å; S347-V351 WeakPolarHBondContact O-CG2 3.35Å; S347-V351 PolarHBondContact O-N 2.88Å; S347-T418 WeakPolarHBondContact OG-CG2 3.45Å; S347-Q422 PolarHBondContact O-NE2 3Å |
| 348 | V | 89.8 | Confident | 88.9 | Confident | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -67.5 | -31.6 | 178.3 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | T290 L311 L344 S345 V346 V351 F352 L799 | T290-V348 HydrophobicContact CG2-CB 3.97Å; T290-V348 HydrophobicContact CG2-CG1 3.26Å; T290-V348 HydrophobicContact CG2-CG2 3.41Å; T290-V348 VanDerWaalsContact CG2-CG2 3.41Å; L311-V348 HydrophobicContact CD1-CG2 4.44Å; L344-V348 WeakPolarHBondContact O-CG2 3.35Å; L344-V348 PolarHBondContact O-N 3.02Å; L344-V348 VanDerWaalsContact O-N 3.07Å; S345-V348 PolarHBondContact O-N 3.02Å; V346-V348 PolarHBondContact O-N 3.23Å; V348-V351 WeakPolarHBondContact O-CB 3.28Å; V348-V351 PolarHBondContact O-N 3.35Å; V348-F352 HydrophobicContact CG1-CD2 3.98Å; V348-F352 HydrophobicContact CG1-CE2 3.51Å; V348-F352 HydrophobicContact CG1-CZ 3.98Å; V348-F352 WeakPolarHBondContact O-CD2 3.37Å; V348-F352 PolarHBondContact O-N 2.94Å; V348-F352 VanDerWaalsContact O-N 3.14Å; V348-L799 HydrophobicContact CB-CD1 4.05Å; V348-L799 HydrophobicContact CB-CD2 3.7Å; V348-L799 HydrophobicContact CB-CG 4.35Å; V348-L799 HydrophobicContact CG1-CD1 3.51Å; V348-L799 HydrophobicContact CG1-CD2 3.44Å; V348-L799 VanDerWaalsContact CG1-CD2 3.44Å; V348-L799 HydrophobicContact CG1-CG 4.06Å |
| 349 | D | 88.1 | Confident | 88.8 | Confident | 26 Ų | 26 | 15.3 Ų | 15.3 | 14% | 0.139 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.8 | -46.6 | 175.6 | -165.5 | 39.7 | 0 | 0 | 0 | 111.3 | S345 V346 S347 V351 F352 L353 S796 L799 | S345-D349 PolarHBondContact O-N 2.89Å; V346-D349 WeakPolarHBondContact O-CB 3.2Å; V346-D349 PolarHBondContact O-N 3.25Å; S347-D349 VanDerWaalsContact C-N 3.27Å; S347-D349 PolarHBondContact O-N 3.42Å; D349-V351 VanDerWaalsContact C-N 3.25Å; D349-V351 PolarHBondContact O-N 3.14Å; D349-F352 PolarHBondContact O-N 3.34Å; D349-L353 PolarHBondContact O-N 2.68Å; D349-S796 WeakPolarHBondContact OD1-CA 3.11Å; D349-S796 WeakPolarHBondContact OD1-CB 3.17Å; D349-S796 PolarHBondContact OD1-OG 3.27Å; D349-S796 PolarHBondContact OD2-OG 3.35Å; D349-L799 HydrophobicContact CB-CD2 3.99Å |
| 350 | N | 90 | Very high | 88.4 | Confident | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.3 | -33.9 | 176.8 | -64.9 | -17 | 0 | 0 | 0 | 112.6 | V346 S347 L353 M354 I382 Q422 | V346-N350 PolarHBondContact O-N 3.01Å; S347-N350 PolarHBondContact O-N 3.12Å; N350-L353 PolarHBondContact O-N 3.35Å; N350-M354 PolarHBondContact O-N 2.69Å; N350-I382 HydrophobicContact CB-CD1 4.07Å; N350-I382 HydrophobicContact CB-CG1 4Å; N350-I382 HydrophobicContact CB-CG2 4.29Å; N350-Q422 VanDerWaalsContact CB-CD 3.48Å; N350-Q422 VanDerWaalsContact CG-OE1 3.29Å; N350-Q422 PolarHBondContact ND2-NE2 2.62Å; N350-Q422 PolarHBondContact ND2-OE1 2.73Å |
| 351 | V | 91.2 | Very high | 88.2 | Confident | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.012 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.8 | -46.3 | 173.5 | 164.8 | 0 | 0 | 0 | 0 | 110.8 | S347 V348 D349 L355 F426 | S347-V351 WeakPolarHBondContact O-CG2 3.35Å; S347-V351 PolarHBondContact O-N 2.88Å; V348-V351 WeakPolarHBondContact O-CB 3.28Å; V348-V351 PolarHBondContact O-N 3.35Å; D349-V351 VanDerWaalsContact C-N 3.25Å; D349-V351 PolarHBondContact O-N 3.14Å; V351-L355 VanDerWaalsContact O-CB 3.27Å; V351-L355 WeakPolarHBondContact O-CB 3.47Å; V351-L355 PolarHBondContact O-N 3.36Å; V351-F426 HydrophobicContact CB-CE1 4.14Å; V351-F426 HydrophobicContact CB-CZ 4.03Å; V351-F426 HydrophobicContact CG1-CE1 4.18Å; V351-F426 HydrophobicContact CG1-CE2 4.26Å; V351-F426 HydrophobicContact CG1-CZ 3.6Å; V351-F426 HydrophobicContact CG2-CD1 4.23Å; V351-F426 HydrophobicContact CG2-CE1 3.79Å; V351-F426 HydrophobicContact CG2-CE2 4.08Å; V351-F426 HydrophobicContact CG2-CZ 3.74Å |
| 352 | F | 88.1 | Confident | 88.2 | Confident | 17 Ų | 17 | 22.5 Ų | 22.5 | 8% | 0.075 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.7 | -39.4 | 177.8 | -67.4 | -42.6 | 0 | 0 | 0 | 112.7 | M289 V348 D349 L355 S356 Q795 L799 | M289-F352 WeakPolarHBondContact O-CZ 3.29Å; V348-F352 HydrophobicContact CG1-CD2 3.98Å; V348-F352 HydrophobicContact CG1-CE2 3.51Å; V348-F352 HydrophobicContact CG1-CZ 3.98Å; V348-F352 WeakPolarHBondContact O-CD2 3.37Å; V348-F352 PolarHBondContact O-N 2.94Å; V348-F352 VanDerWaalsContact O-N 3.14Å; D349-F352 PolarHBondContact O-N 3.34Å; F352-L355 PolarHBondContact O-N 3.29Å; F352-S356 WeakPolarHBondContact O-CB 3.5Å; F352-S356 PolarHBondContact O-N 3.25Å; F352-Q795 HydrophobicContact CD2-CG 4.29Å; F352-Q795 HydrophobicContact CE2-CG 4.47Å; F352-L799 HydrophobicContact CD2-CD2 4.27Å; F352-L799 HydrophobicContact CE2-CD2 4.19Å |
| 353 | L | 85.8 | Confident | 88 | Confident | 44 Ų | 44 | 27.1 Ų | 27.1 | 23% | 0.23 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 177.1 | -179.7 | 60.3 | 0 | 0 | 0 | 112 | D349 N350 S356 S357 I382 | D349-L353 PolarHBondContact O-N 2.68Å; N350-L353 PolarHBondContact O-N 3.35Å; L353-S356 PolarHBondContact O-N 3.45Å; L353-S357 PolarHBondContact O-N 2.67Å; L353-S357 VanDerWaalsContact O-N 3.14Å; L353-S357 PolarHBondContact O-OG 3Å; L353-S357 VanDerWaalsContact O-OG 3.1Å; L353-I382 HydrophobicContact CD2-CD1 4.49Å; L353-I382 HydrophobicContact CD2-CG1 3.7Å; L353-I382 HydrophobicContact CG-CG1 4.46Å |
| 354 | M | 89.6 | Confident | 87.5 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.3 | -37.6 | 175.4 | -172.6 | 159.8 | 61.2 | 0 | 0 | 112 | N350 S357 W358 S374 V375 S378 I382 F426 L430 | N350-M354 PolarHBondContact O-N 2.69Å; M354-S357 PolarHBondContact O-N 3.1Å; M354-W358 PolarHBondContact O-N 2.93Å; M354-S374 PolarHBondContact O-OG 3.27Å; M354-V375 HydrophobicContact SD-CG2 3.91Å; M354-S378 WeakPolarHBondContact CG-OG 3.24Å; M354-I382 HydrophobicContact CB-CD1 4.34Å; M354-F426 HydrophobicContact CE-CD1 2.97Å; M354-F426 HydrophobicContact CE-CE1 3.14Å; M354-F426 HydrophobicContact CE-CG 4.07Å; M354-F426 HydrophobicContact CE-CZ 4.35Å; M354-L430 HydrophobicContact CE-CD2 4.09Å; M354-L430 HydrophobicContact CG-CD2 3.84Å; M354-L430 HydrophobicContact SD-CD2 3.95Å |
| 355 | L | 88.5 | Confident | 87.3 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.2 | -39 | 175.8 | 179.5 | 58 | 0 | 0 | 0 | 112.7 | C294 K303 L306 V351 F352 S357 W358 R359 | C294-L355 HydrophobicContact CB-CD2 4.01Å; C294-L355 VanDerWaalsContact SG-CD2 3.53Å; K303-L355 HydrophobicContact CD-CD1 3.75Å; L306-L355 HydrophobicContact CD2-CD1 4.03Å; V351-L355 VanDerWaalsContact O-CB 3.27Å; V351-L355 WeakPolarHBondContact O-CB 3.47Å; V351-L355 PolarHBondContact O-N 3.36Å; F352-L355 PolarHBondContact O-N 3.29Å; L355-S357 VanDerWaalsContact C-N 3.33Å; L355-W358 WeakPolarHBondContact O-CB 3.23Å; L355-W358 PolarHBondContact O-N 3.19Å; L355-R359 HydrophobicContact CD1-CG 4.4Å; L355-R359 VanDerWaalsContact O-CG 3.31Å; L355-R359 WeakPolarHBondContact O-CG 3.45Å; L355-R359 PolarHBondContact O-N 3.45Å |
| 356 | S | 83.1 | Confident | 87.5 | Confident | 66 Ų | 66 | 36.9 Ų | 36.9 | 46% | 0.462 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.1 | -45.2 | 173.6 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | F352 L353 W358 R359 A360 | F352-S356 WeakPolarHBondContact O-CB 3.5Å; F352-S356 PolarHBondContact O-N 3.25Å; L353-S356 PolarHBondContact O-N 3.45Å; S356-W358 VanDerWaalsContact C-N 3.34Å; S356-W358 PolarHBondContact O-N 2.99Å; S356-R359 PolarHBondContact O-N 2.96Å; S356-A360 PolarHBondContact O-N 3.02Å; S356-A360 VanDerWaalsContact O-N 3.08Å |
| 357 | S | 86 | Confident | 87.7 | Confident | 20 Ų | 20 | 36.7 Ų | 36.7 | 14% | 0.14 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.6 | -39.5 | 175.7 | -60.1 | 0 | 0 | 0 | 0 | 112.2 | L353 M354 L355 R359 A360 T361 | L353-S357 PolarHBondContact O-N 2.67Å; L353-S357 VanDerWaalsContact O-N 3.14Å; L353-S357 PolarHBondContact O-OG 3Å; L353-S357 VanDerWaalsContact O-OG 3.1Å; M354-S357 PolarHBondContact O-N 3.1Å; L355-S357 VanDerWaalsContact C-N 3.33Å; S357-R359 VanDerWaalsContact C-N 3.35Å; S357-R359 PolarHBondContact O-N 3.37Å; S357-A360 PolarHBondContact O-N 3.45Å; S357-T361 WeakPolarHBondContact O-CG2 3.44Å; S357-T361 PolarHBondContact O-N 2.91Å |
| 358 | W | 89.9 | Confident | 87.8 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.6 | -42.2 | 175.2 | 173.9 | -91.9 | 0 | 0 | 0 | 112.3 | K303 M354 L355 S356 A360 T361 V367 R370 S374 L430 E437 | K303-W358 VanDerWaalsContact CE-NE1 3.26Å; M354-W358 PolarHBondContact O-N 2.93Å; L355-W358 WeakPolarHBondContact O-CB 3.23Å; L355-W358 PolarHBondContact O-N 3.19Å; S356-W358 VanDerWaalsContact C-N 3.34Å; S356-W358 PolarHBondContact O-N 2.99Å; W358-A360 VanDerWaalsContact C-N 3.3Å; W358-A360 PolarHBondContact O-N 3.38Å; W358-T361 WeakPolarHBondContact O-CB 3.28Å; W358-T361 PolarHBondContact O-N 3.43Å; W358-T361 PolarHBondContact O-OG1 3.47Å; W358-V367 HydrophobicContact CH2-CG1 4.26Å; W358-R370 HydrophobicContact CE3-CB 4.24Å; W358-R370 HydrophobicContact CH2-CB 3.76Å; W358-R370 HydrophobicContact CZ3-CB 3.59Å; W358-S374 VanDerWaalsContact CA-OG 3.31Å; W358-S374 WeakPolarHBondContact CA-OG 3.34Å; W358-S374 PolarHBondContact N-OG 3.36Å; W358-L430 HydrophobicContact CB-CD1 4.36Å; W358-L430 HydrophobicContact CD2-CD1 3.97Å; W358-L430 HydrophobicContact CD2-CG 4.39Å; W358-L430 HydrophobicContact CE3-CD1 4.12Å; W358-L430 HydrophobicContact CE3-CD2 4.09Å; W358-L430 HydrophobicContact CE3-CG 4.03Å; W358-L430 HydrophobicContact CG-CD1 4.06Å; W358-L430 HydrophobicContact CZ3-CG 4.49Å; W358-E437 PolarHBondContact NE1-OE2 3.07Å; W358-E437 VanDerWaalsContact NE1-OE2 3.1Å |
| 359 | R | 85.8 | Confident | 88 | Confident | 73 Ų | 73 | 41.6 Ų | 41.6 | 28% | 0.275 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70.9 | -27 | -179.5 | -70.8 | 165.9 | 173.6 | 176.3 | -6.8 | 112.6 | G293 C294 D296 L355 S356 S357 T361 W472 | G293-R359 PolarHBondContact O-NH1 2.94Å; C294-R359 PolarHBondContact O-NH2 2.87Å; D296-R359 IonicContact OD1-CZ 3.83Å; D296-R359 IonicContact OD1-NE 3.35Å; D296-R359 IonicContact OD1-NH1 3.42Å; D296-R359 IonicContact OD1-NH2 2.74Å; D296-R359 PolarHBondContact OD1-NH2 3.11Å; D296-R359 IonicContact OD2-CZ 2.87Å; D296-R359 IonicContact OD2-NE 2.69Å; D296-R359 IonicContact OD2-NH2 4Å; D296-R359 PolarHBondContact OD2-NH2 3.19Å; L355-R359 HydrophobicContact CD1-CG 4.4Å; L355-R359 VanDerWaalsContact O-CG 3.31Å; L355-R359 WeakPolarHBondContact O-CG 3.45Å; L355-R359 PolarHBondContact O-N 3.45Å; S356-R359 PolarHBondContact O-N 2.96Å; S357-R359 VanDerWaalsContact C-N 3.35Å; S357-R359 PolarHBondContact O-N 3.37Å; R359-T361 VanDerWaalsContact C-N 3.3Å; R359-W472 VanDerWaalsContact CD-CZ2 3.46Å; R359-W472 HydrophobicContact CG-CZ2 4.4Å; R359-W472 VanDerWaalsContact CZ-CH2 3.47Å; R359-W472 VanDerWaalsContact NE-CZ2 3.26Å |
| 360 | A | 82 | Confident | 88.3 | Confident | 84 Ų | 84 | 40.7 Ų | 40.7 | 69% | 0.694 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -73.9 | -18.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S356 S357 W358 | S356-A360 PolarHBondContact O-N 3.02Å; S356-A360 VanDerWaalsContact O-N 3.08Å; S357-A360 PolarHBondContact O-N 3.45Å; W358-A360 VanDerWaalsContact C-N 3.3Å; W358-A360 PolarHBondContact O-N 3.38Å |
| 361 | T | 88.1 | Confident | 88.5 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -68.7 | 152.3 | 178.3 | 66.8 | 0 | 0 | 0 | 0 | 112.6 | S357 W358 R359 P363 R370 E373 | S357-T361 WeakPolarHBondContact O-CG2 3.44Å; S357-T361 PolarHBondContact O-N 2.91Å; W358-T361 WeakPolarHBondContact O-CB 3.28Å; W358-T361 PolarHBondContact O-N 3.43Å; W358-T361 PolarHBondContact O-OG1 3.47Å; R359-T361 VanDerWaalsContact C-N 3.3Å; T361-P363 WeakPolarHBondContact O-CD 3.45Å; T361-R370 PolarHBondContact OG1-NE 2.97Å; T361-R370 PolarHBondContact OG1-NH2 3.42Å; T361-E373 HydrophobicContact CG2-CB 4.12Å; T361-E373 HydrophobicContact CG2-CG 4.12Å |
| 362 | K | 86.7 | Confident | 88.7 | Confident | 82 Ų | 82 | 40.8 Ų | 40.8 | 36% | 0.357 | 24% | 0.241 | S | C | . | . | trans | -65.8 | 122.8 | 176.5 | -67.9 | 179.2 | 177.9 | 179.8 | 0 | 110.9 | S364 N365 Q876 | K362-S364 PolarHBondContact O-N 2.97Å; K362-N365 PolarHBondContact O-N 2.95Å; K362-N365 VanDerWaalsContact O-N 3.16Å; K362-Q876 VanDerWaalsContact CE-OE1 3.25Å | ||
| 363 | P | 82.2 | Confident | 88.9 | Confident | 107 Ų | 107 | 43.2 Ų | 43.2 | 70% | 0.695 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -15.6 | 178.8 | -24.6 | 34.9 | 0 | 0 | 0 | 114.9 | T361 | T361-P363 WeakPolarHBondContact O-CD 3.45Š|
| 364 | S | 83 | Confident | 89.2 | Confident | 103 Ų | 103 | 41.1 Ų | 41.1 | 72% | 0.72 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -18.8 | 178.2 | 54.8 | 0 | 0 | 0 | 0 | 114.3 | K362 | K362-S364 PolarHBondContact O-N 2.97Š|
| 365 | N | 88.2 | Confident | 89.4 | Confident | 54 Ų | 54 | 41.1 Ų | 41.1 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -75.4 | 158.1 | -175.8 | -70.8 | 2 | 0 | 0 | 0 | 111.2 | K362 D369 R370 | K362-N365 PolarHBondContact O-N 2.95Å; K362-N365 VanDerWaalsContact O-N 3.16Å; N365-D369 HydrophobicContact CB-CB 4.31Å; N365-R370 HydrophobicContact CB-CG 3.72Å |
| 366 | T | 92.2 | Very high | 89.6 | Confident | 71 Ų | 71 | 41 Ų | 41 | 44% | 0.436 | 24% | 0.241 | S | C | . | . | trans | -60.5 | 157.2 | 172.8 | 69 | 0 | 0 | 0 | 0 | 110.4 | E368 D369 R370 | T366-E368 PolarHBondContact O-N 2.76Å; T366-D369 PolarHBondContact O-N 3.43Å; T366-D369 WeakPolarHBondContact OG1-CB 3.49Å; T366-D369 PolarHBondContact OG1-N 3.45Å; T366-D369 VanDerWaalsContact OG1-N 3.1Å; T366-D369 PolarHBondContact OG1-OD2 3.39Å; T366-R370 WeakPolarHBondContact O-CB 3.38Å; T366-R370 WeakPolarHBondContact O-CG 3.35Å; T366-R370 PolarHBondContact O-N 3.18Å | ||
| 367 | V | 92.5 | Very high | 89.7 | Confident | 10 Ų | 10 | 40.5 Ų | 40.5 | 6% | 0.061 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.7 | -38.7 | 178.5 | 175.4 | 0 | 0 | 0 | 0 | 110.1 | W358 R370 T371 A431 R435 V438 | W358-V367 HydrophobicContact CH2-CG1 4.26Å; V367-R370 PolarHBondContact O-N 3.39Å; V367-T371 WeakPolarHBondContact O-CB 3.35Å; V367-T371 PolarHBondContact O-N 3.37Å; V367-T371 PolarHBondContact O-OG1 3.41Å; V367-A431 WeakPolarHBondContact CG1-O 3.49Å; V367-R435 HydrophobicContact CB-CG 4.32Å; V367-R435 HydrophobicContact CG1-CG 4.07Å; V367-R435 HydrophobicContact CG2-CG 4.03Å; V367-V438 HydrophobicContact CG2-CB 4.35Å; V367-V438 HydrophobicContact CG2-CG2 3.69Å |
| 368 | E | 93.9 | Very high | 89.9 | Confident | 49 Ų | 49 | 39.6 Ų | 39.6 | 23% | 0.229 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.7 | -44.8 | 179.3 | -64.9 | 69.3 | -154.7 | 0 | 0 | 111.5 | R19 A22 T366 A372 R435 | R19-E368 HydrophobicContact CG-CB 4.44Å; A22-E368 HydrophobicContact CB-CB 4.3Å; A22-E368 HydrophobicContact CB-CG 4.1Å; T366-E368 PolarHBondContact O-N 2.76Å; E368-A372 WeakPolarHBondContact O-CB 3.35Å; E368-A372 PolarHBondContact O-N 3.05Å; E368-R435 IonicContact OE1-CZ 3.15Å; E368-R435 IonicContact OE1-NE 2.93Å; E368-R435 IonicContact OE1-NH2 3.05Å; E368-R435 PolarHBondContact OE1-NH2 3.36Å |
| 369 | D | 93.5 | Very high | 89.9 | Confident | 55 Ų | 55 | 39.5 Ų | 39.5 | 29% | 0.294 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -72.1 | -37.4 | 177 | -66.3 | -42.1 | 0 | 0 | 0 | 112.4 | R19 N365 T366 A372 E373 | R19-D369 IonicContact CZ-OD1 3.23Å; R19-D369 IonicContact NE-OD1 3.25Å; R19-D369 PolarHBondContact NE-OD1 2.92Å; R19-D369 IonicContact NH2-OD1 3.69Å; R19-D369 PolarHBondContact NH2-OD1 2.85Å; N365-D369 HydrophobicContact CB-CB 4.31Å; T366-D369 PolarHBondContact O-N 3.43Å; T366-D369 WeakPolarHBondContact OG1-CB 3.49Å; T366-D369 PolarHBondContact OG1-N 3.45Å; T366-D369 VanDerWaalsContact OG1-N 3.1Å; T366-D369 PolarHBondContact OG1-OD2 3.39Å; D369-A372 PolarHBondContact O-N 3.06Å; D369-E373 WeakPolarHBondContact O-CB 3.43Å; D369-E373 PolarHBondContact O-N 3.31Å |
| 370 | R | 93.7 | Very high | 89.9 | Confident | 8 Ų | 8 | 36.4 Ų | 36.4 | 3% | 0.03 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.8 | -42.1 | 174 | -70.1 | -177.4 | 70 | -168 | -0.9 | 111.4 | W358 T361 N365 T366 V367 S374 E437 | W358-R370 HydrophobicContact CE3-CB 4.24Å; W358-R370 HydrophobicContact CH2-CB 3.76Å; W358-R370 HydrophobicContact CZ3-CB 3.59Å; T361-R370 PolarHBondContact OG1-NE 2.97Å; T361-R370 PolarHBondContact OG1-NH2 3.42Å; N365-R370 HydrophobicContact CB-CG 3.72Å; T366-R370 WeakPolarHBondContact O-CB 3.38Å; T366-R370 WeakPolarHBondContact O-CG 3.35Å; T366-R370 PolarHBondContact O-N 3.18Å; V367-R370 PolarHBondContact O-N 3.39Å; R370-S374 WeakPolarHBondContact O-CB 3.25Å; R370-S374 PolarHBondContact O-N 3.42Å; R370-E437 IonicContact CZ-OE1 3.62Å; R370-E437 IonicContact NH1-OE1 3.65Å; R370-E437 PolarHBondContact NH1-OE1 3.3Å; R370-E437 IonicContact NH2-OE1 2.97Å; R370-E437 PolarHBondContact NH2-OE1 2.94Å |
| 371 | T | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.6 | -44.3 | 176.1 | -62.2 | 0 | 0 | 0 | 0 | 110.3 | A22 V367 S374 V375 T427 A431 | A22-T371 HydrophobicContact CB-CG2 4.03Å; V367-T371 WeakPolarHBondContact O-CB 3.35Å; V367-T371 PolarHBondContact O-N 3.37Å; V367-T371 PolarHBondContact O-OG1 3.41Å; T371-S374 PolarHBondContact O-N 3.33Å; T371-V375 HydrophobicContact CG2-CG2 3.93Å; T371-V375 VanDerWaalsContact O-CB 3.28Å; T371-V375 WeakPolarHBondContact O-CB 3.46Å; T371-V375 WeakPolarHBondContact O-CG2 3.4Å; T371-V375 PolarHBondContact O-N 2.86Å; T371-T427 HydrophobicContact CG2-CG2 3.85Å; T371-A431 HydrophobicContact CG2-CB 4.39Å |
| 372 | A | 95 | Very high | 90.2 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 3% | 0.033 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.4 | -49.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C15 R19 E368 D369 G376 | C15-A372 VanDerWaalsContact O-CB 3.31Å; C15-A372 WeakPolarHBondContact O-CB 3.49Å; C15-A372 PolarHBondContact SG-O 2.86Å; R19-A372 HydrophobicContact CB-CB 4.01Å; E368-A372 WeakPolarHBondContact O-CB 3.35Å; E368-A372 PolarHBondContact O-N 3.05Å; D369-A372 PolarHBondContact O-N 3.06Å; A372-G376 PolarHBondContact O-N 3.41Å |
| 373 | E | 93 | Very high | 90.4 | Very high | 68 Ų | 68 | 31.3 Ų | 31.3 | 32% | 0.318 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.2 | -44.7 | 179.6 | -174.7 | 177.9 | -174.9 | 0 | 0 | 111.9 | T361 D369 N377 | T361-E373 HydrophobicContact CG2-CB 4.12Å; T361-E373 HydrophobicContact CG2-CG 4.12Å; D369-E373 WeakPolarHBondContact O-CB 3.43Å; D369-E373 PolarHBondContact O-N 3.31Å; E373-N377 WeakPolarHBondContact O-CB 3.43Å; E373-N377 PolarHBondContact O-N 2.76Å; E373-N377 VanDerWaalsContact O-N 3.08Å; E373-N377 PolarHBondContact O-ND2 3.39Å |
| 374 | S | 92.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61 | -52 | 178.2 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | M354 W358 R370 T371 N377 S378 | M354-S374 PolarHBondContact O-OG 3.27Å; W358-S374 VanDerWaalsContact CA-OG 3.31Å; W358-S374 WeakPolarHBondContact CA-OG 3.34Å; W358-S374 PolarHBondContact N-OG 3.36Å; R370-S374 WeakPolarHBondContact O-CB 3.25Å; R370-S374 PolarHBondContact O-N 3.42Å; T371-S374 PolarHBondContact O-N 3.33Å; S374-N377 PolarHBondContact O-N 2.91Å; S374-S378 PolarHBondContact O-N 3.38Å; S374-S378 PolarHBondContact O-OG 3.15Å |
| 375 | V | 94.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.1 | -43.5 | -177.8 | 175.1 | 0 | 0 | 0 | 0 | 110.2 | F14 M354 T371 N377 S378 A379 M423 T427 | F14-V375 HydrophobicContact CB-CG1 4.22Å; F14-V375 HydrophobicContact CD1-CG1 4.47Å; M354-V375 HydrophobicContact SD-CG2 3.91Å; T371-V375 HydrophobicContact CG2-CG2 3.93Å; T371-V375 VanDerWaalsContact O-CB 3.28Å; T371-V375 WeakPolarHBondContact O-CB 3.46Å; T371-V375 WeakPolarHBondContact O-CG2 3.4Å; T371-V375 PolarHBondContact O-N 2.86Å; V375-N377 VanDerWaalsContact C-N 3.28Å; V375-N377 PolarHBondContact O-N 3.44Å; V375-S378 PolarHBondContact O-N 2.94Å; V375-A379 HydrophobicContact CG1-CB 4.37Å; V375-A379 WeakPolarHBondContact O-CA 3.21Å; V375-A379 WeakPolarHBondContact O-CB 3.44Å; V375-A379 PolarHBondContact O-N 3.48Å; V375-M423 HydrophobicContact CG1-SD 4.42Å; V375-T427 HydrophobicContact CG2-CG2 3.52Å |
| 376 | G | 91.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59 | -38.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R11 A372 | R11-G376 WeakPolarHBondContact CG-O 3.48Å; A372-G376 PolarHBondContact O-N 3.41Å |
| 377 | N | 86.6 | Confident | 90.8 | Very high | 56 Ų | 56 | 20 Ų | 20 | 30% | 0.299 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -75.7 | -46 | 178.5 | -67.6 | -14.2 | 0 | 0 | 0 | 112.3 | R11 E373 S374 V375 | R11-N377 PolarHBondContact NE-OD1 3.24Å; R11-N377 PolarHBondContact NH2-OD1 3.18Å; E373-N377 WeakPolarHBondContact O-CB 3.43Å; E373-N377 PolarHBondContact O-N 2.76Å; E373-N377 VanDerWaalsContact O-N 3.08Å; E373-N377 PolarHBondContact O-ND2 3.39Å; S374-N377 PolarHBondContact O-N 2.91Å; V375-N377 VanDerWaalsContact C-N 3.28Å; V375-N377 PolarHBondContact O-N 3.44Å |
| 378 | S | 88.9 | Confident | 90.7 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.007 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -78.1 | -30.3 | -177.3 | 61.3 | 0 | 0 | 0 | 0 | 113.7 | M354 S374 V375 V380 S381 I382 | M354-S378 WeakPolarHBondContact CG-OG 3.24Å; S374-S378 PolarHBondContact O-N 3.38Å; S374-S378 PolarHBondContact O-OG 3.15Å; V375-S378 PolarHBondContact O-N 2.94Å; S378-V380 VanDerWaalsContact C-N 3.31Å; S378-V380 PolarHBondContact O-N 3.26Å; S378-S381 PolarHBondContact O-N 2.92Å; S378-I382 WeakPolarHBondContact O-CG1 3.39Å; S378-I382 PolarHBondContact O-N 3.36Å |
| 379 | A | 90 | Very high | 90.5 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.2 | -30.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F14 V375 L383 M423 | F14-A379 HydrophobicContact CB-CB 3.63Å; F14-A379 HydrophobicContact CD1-CB 3.68Å; F14-A379 HydrophobicContact CD2-CB 3.53Å; F14-A379 HydrophobicContact CE1-CB 4.26Å; F14-A379 HydrophobicContact CE2-CB 4.12Å; F14-A379 HydrophobicContact CG-CB 3.31Å; F14-A379 HydrophobicContact CZ-CB 4.47Å; V375-A379 HydrophobicContact CG1-CB 4.37Å; V375-A379 WeakPolarHBondContact O-CA 3.21Å; V375-A379 WeakPolarHBondContact O-CB 3.44Å; V375-A379 PolarHBondContact O-N 3.48Å; A379-L383 WeakPolarHBondContact O-CB 3.36Å; A379-L383 PolarHBondContact O-N 2.87Å; A379-M423 HydrophobicContact CB-CE 3.97Å; A379-M423 HydrophobicContact CB-SD 3.62Å |
| 380 | V | 87.2 | Confident | 90.4 | Very high | 8 Ų | 8 | 15.1 Ų | 15.1 | 5% | 0.048 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.3 | -49.6 | 173.8 | 175.1 | 0 | 0 | 0 | 0 | 110.1 | Q7 V10 R11 S378 L383 I384 F714 | Q7-V380 HydrophobicContact CG-CG1 3.79Å; Q7-V380 HydrophobicContact CG-CG2 4.28Å; V10-V380 HydrophobicContact CG1-CG2 4.02Å; R11-V380 HydrophobicContact CB-CG2 4.09Å; S378-V380 VanDerWaalsContact C-N 3.31Å; S378-V380 PolarHBondContact O-N 3.26Å; V380-L383 PolarHBondContact O-N 3.25Å; V380-I384 HydrophobicContact CG1-CD1 4.19Å; V380-I384 VanDerWaalsContact O-CG1 3.3Å; V380-I384 WeakPolarHBondContact O-CG1 3.45Å; V380-I384 PolarHBondContact O-N 3.3Å; V380-I384 VanDerWaalsContact O-N 3.07Å; V380-F714 HydrophobicContact CG1-CD1 4Å; V380-F714 HydrophobicContact CG1-CE1 4.27Å |
| 381 | S | 86.4 | Confident | 90.4 | Very high | 26 Ų | 26 | 17.4 Ų | 17.4 | 18% | 0.182 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.6 | -48.3 | 179.1 | -68.5 | 0 | 0 | 0 | 0 | 111.8 | S378 L383 I384 T385 H767 | S378-S381 PolarHBondContact O-N 2.92Å; S381-L383 VanDerWaalsContact C-N 3.28Å; S381-L383 PolarHBondContact O-N 3.38Å; S381-I384 WeakPolarHBondContact O-CB 3.29Å; S381-I384 PolarHBondContact O-N 3.28Å; S381-I384 VanDerWaalsContact O-N 3.14Å; S381-T385 PolarHBondContact O-N 2.96Å; S381-T385 VanDerWaalsContact O-N 3.1Å; S381-T385 PolarHBondContact O-OG1 3.17Å; S381-H767 WeakPolarHBondContact CB-CE1 3.35Å; S381-H767 PolarHBondContact OG-CE1 3.19Å |
| 382 | I | 89.1 | Confident | 90.2 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.6 | -37.2 | 178.6 | -66.3 | 167.7 | 0 | 0 | 0 | 111.4 | N350 L353 M354 S378 S386 F419 M423 | N350-I382 HydrophobicContact CB-CD1 4.07Å; N350-I382 HydrophobicContact CB-CG1 4Å; N350-I382 HydrophobicContact CB-CG2 4.29Å; L353-I382 HydrophobicContact CD2-CD1 4.49Å; L353-I382 HydrophobicContact CD2-CG1 3.7Å; L353-I382 HydrophobicContact CG-CG1 4.46Å; M354-I382 HydrophobicContact CB-CD1 4.34Å; S378-I382 WeakPolarHBondContact O-CG1 3.39Å; S378-I382 PolarHBondContact O-N 3.36Å; I382-S386 VanDerWaalsContact O-CB 3.28Å; I382-S386 WeakPolarHBondContact O-CB 3.44Å; I382-S386 PolarHBondContact O-N 3.43Å; I382-S386 PolarHBondContact O-OG 3Å; I382-F419 HydrophobicContact CG2-CD2 3.99Å; I382-F419 HydrophobicContact CG2-CE2 4.28Å; I382-M423 HydrophobicContact CB-CE 3.67Å; I382-M423 HydrophobicContact CD1-CE 3.62Å; I382-M423 HydrophobicContact CG1-CE 4.22Å; I382-M423 HydrophobicContact CG2-CE 3.44Å; I382-M423 VanDerWaalsContact CG2-CE 3.44Å |
| 383 | L | 90.8 | Very high | 90.1 | Very high | 35 Ų | 35 | 17.5 Ų | 17.5 | 18% | 0.183 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.1 | -41.6 | 176 | 176.5 | 63.9 | 0 | 0 | 0 | 111.6 | V10 F14 A379 V380 S381 L387 F419 F714 | V10-L383 HydrophobicContact CG1-CD2 3.82Å; F14-L383 HydrophobicContact CE2-CD2 4.36Å; A379-L383 WeakPolarHBondContact O-CB 3.36Å; A379-L383 PolarHBondContact O-N 2.87Å; V380-L383 PolarHBondContact O-N 3.25Å; S381-L383 VanDerWaalsContact C-N 3.28Å; S381-L383 PolarHBondContact O-N 3.38Å; L383-L387 WeakPolarHBondContact O-CB 3.5Å; L383-L387 PolarHBondContact O-N 3.16Å; L383-F419 HydrophobicContact CB-CE2 3.94Å; L383-F419 HydrophobicContact CB-CZ 4.27Å; L383-F419 HydrophobicContact CD1-CE1 4.2Å; L383-F419 HydrophobicContact CD1-CE2 3.91Å; L383-F419 HydrophobicContact CD1-CZ 3.62Å; L383-F419 HydrophobicContact CG-CZ 4.48Å; L383-F714 HydrophobicContact CD2-CE1 4.16Å; L383-F714 HydrophobicContact CD2-CZ 3.82Å; L383-F714 HydrophobicContact CG-CZ 4.07Å |
| 384 | I | 86.7 | Confident | 90.1 | Very high | 23 Ų | 23 | 18.2 Ų | 18.2 | 12% | 0.118 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.9 | -56.6 | 176 | -69 | 163.1 | 0 | 0 | 0 | 109.2 | V380 S381 S386 L387 T388 F714 | V380-I384 HydrophobicContact CG1-CD1 4.19Å; V380-I384 VanDerWaalsContact O-CG1 3.3Å; V380-I384 WeakPolarHBondContact O-CG1 3.45Å; V380-I384 PolarHBondContact O-N 3.3Å; V380-I384 VanDerWaalsContact O-N 3.07Å; S381-I384 WeakPolarHBondContact O-CB 3.29Å; S381-I384 PolarHBondContact O-N 3.28Å; S381-I384 VanDerWaalsContact O-N 3.14Å; I384-S386 PolarHBondContact O-N 3.41Å; I384-L387 PolarHBondContact O-N 2.9Å; I384-L387 VanDerWaalsContact O-N 3.17Å; I384-T388 HydrophobicContact CG2-CG2 4.25Å; I384-T388 WeakPolarHBondContact O-CG2 3.38Å; I384-T388 PolarHBondContact O-N 2.82Å; I384-T388 PolarHBondContact O-OG1 3.47Å; I384-F714 HydrophobicContact CD1-CB 3.73Å; I384-F714 HydrophobicContact CD1-CD1 3.78Å; I384-F714 HydrophobicContact CD1-CD2 4.07Å; I384-F714 HydrophobicContact CD1-CE1 4.37Å; I384-F714 HydrophobicContact CD1-CG 3.6Å; I384-F714 HydrophobicContact CG1-CB 4.15Å; I384-F714 HydrophobicContact CG1-CD1 3.72Å; I384-F714 HydrophobicContact CG1-CD2 3.48Å; I384-F714 VanDerWaalsContact CG1-CD2 3.48Å; I384-F714 HydrophobicContact CG1-CE1 3.87Å; I384-F714 HydrophobicContact CG1-CE2 3.65Å; I384-F714 HydrophobicContact CG1-CG 3.51Å; I384-F714 HydrophobicContact CG1-CZ 3.83Å |
| 385 | T | 87.1 | Confident | 90.1 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.012 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -56 | -48.3 | 179.4 | -64.2 | 0 | 0 | 0 | 0 | 112.4 | V346 S381 L387 T388 D389 D763 | V346-T385 HydrophobicContact CG1-CG2 4.36Å; S381-T385 PolarHBondContact O-N 2.96Å; S381-T385 VanDerWaalsContact O-N 3.1Å; S381-T385 PolarHBondContact O-OG1 3.17Å; T385-L387 VanDerWaalsContact C-N 3.29Å; T385-L387 PolarHBondContact O-N 3.33Å; T385-T388 WeakPolarHBondContact CA-OG1 3.37Å; T385-T388 PolarHBondContact O-N 3.45Å; T385-T388 PolarHBondContact O-OG1 2.87Å; T385-D389 WeakPolarHBondContact O-CB 3.43Å; T385-D389 PolarHBondContact O-N 2.9Å; T385-D763 WeakPolarHBondContact CA-OD1 3.45Å; T385-D763 VanDerWaalsContact CB-OD1 3.25Å; T385-D763 WeakPolarHBondContact CB-OD1 3.37Å; T385-D763 WeakPolarHBondContact CG2-OD1 3.24Å; T385-D763 WeakPolarHBondContact CG2-OD2 3.25Å; T385-D763 PolarHBondContact OG1-OD1 3.2Å |
| 386 | S | 90.7 | Very high | 89.8 | Confident | 13 Ų | 13 | 18.6 Ų | 18.6 | 9% | 0.091 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.4 | -34.8 | -179.1 | -55.4 | 0 | 0 | 0 | 0 | 112.3 | I382 I384 G390 F419 | I382-S386 VanDerWaalsContact O-CB 3.28Å; I382-S386 WeakPolarHBondContact O-CB 3.44Å; I382-S386 PolarHBondContact O-N 3.43Å; I382-S386 PolarHBondContact O-OG 3Å; I384-S386 PolarHBondContact O-N 3.41Å; S386-G390 WeakPolarHBondContact O-CA 3.31Å; S386-G390 PolarHBondContact O-N 3.42Å; S386-F419 WeakPolarHBondContact OG-CD2 3.34Å |
| 387 | L | 90.4 | Very high | 89.8 | Confident | 59 Ų | 59 | 21 Ų | 21 | 31% | 0.309 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -75.7 | -41.1 | 178.8 | -174.7 | 64 | 0 | 0 | 0 | 111.5 | L383 I384 T385 L391 V710 F714 | L383-L387 WeakPolarHBondContact O-CB 3.5Å; L383-L387 PolarHBondContact O-N 3.16Å; I384-L387 PolarHBondContact O-N 2.9Å; I384-L387 VanDerWaalsContact O-N 3.17Å; T385-L387 VanDerWaalsContact C-N 3.29Å; T385-L387 PolarHBondContact O-N 3.33Å; L387-L391 HydrophobicContact CD1-CD1 3.7Å; L387-L391 HydrophobicContact CD1-CG 3.93Å; L387-L391 HydrophobicContact CG-CD1 3.81Å; L387-L391 HydrophobicContact CG-CG 4.36Å; L387-L391 WeakPolarHBondContact O-CB 3.44Å; L387-L391 WeakPolarHBondContact O-CG 3.2Å; L387-L391 PolarHBondContact O-N 3.25Å; L387-V710 HydrophobicContact CD2-CG1 3.79Å; L387-V710 HydrophobicContact CD2-CG2 3.97Å; L387-V710 HydrophobicContact CG-CG1 4.22Å; L387-V710 HydrophobicContact CG-CG2 4.1Å; L387-F714 HydrophobicContact CD2-CE2 4.42Å |
| 388 | T | 90.2 | Very high | 90 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.8 | -48.2 | 177.8 | 48.9 | 0 | 0 | 0 | 0 | 110.8 | I384 T385 S392 M707 V710 V762 | I384-T388 HydrophobicContact CG2-CG2 4.25Å; I384-T388 WeakPolarHBondContact O-CG2 3.38Å; I384-T388 PolarHBondContact O-N 2.82Å; I384-T388 PolarHBondContact O-OG1 3.47Å; T385-T388 WeakPolarHBondContact CA-OG1 3.37Å; T385-T388 PolarHBondContact O-N 3.45Å; T385-T388 PolarHBondContact O-OG1 2.87Å; T388-S392 WeakPolarHBondContact O-CB 3.22Å; T388-S392 PolarHBondContact O-N 2.89Å; T388-M707 VanDerWaalsContact CA-SD 3.52Å; T388-M707 WeakPolarHBondContact CB-SD 3.46Å; T388-M707 HydrophobicContact CG2-SD 3.72Å; T388-M707 WeakPolarHBondContact O-CE 3.22Å; T388-M707 VanDerWaalsContact O-SD 3.39Å; T388-V710 HydrophobicContact CG2-CB 4.28Å; T388-V710 HydrophobicContact CG2-CG1 3.76Å; T388-V762 HydrophobicContact CG2-CB 4.3Å; T388-V762 HydrophobicContact CG2-CG1 3.88Å |
| 389 | D | 89.6 | Confident | 90 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.6 | -46.6 | 177.6 | -73.9 | -11.8 | 0 | 0 | 0 | 111.6 | T385 L391 S392 F393 L415 G759 L760 | T385-D389 WeakPolarHBondContact O-CB 3.43Å; T385-D389 PolarHBondContact O-N 2.9Å; D389-L391 PolarHBondContact O-N 2.66Å; D389-S392 PolarHBondContact O-N 3.03Å; D389-F393 WeakPolarHBondContact O-CD2 3.46Å; D389-F393 PolarHBondContact O-N 3.04Å; D389-L415 HydrophobicContact CB-CD1 3.57Å; D389-G759 WeakPolarHBondContact OD1-CA 3.39Å; D389-L760 PolarHBondContact OD1-N 3.08Å |
| 390 | G | 92 | Very high | 89.9 | Confident | 11 Ų | 11 | 24.2 Ų | 24.2 | 11% | 0.113 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.6 | -45.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S386 L394 | S386-G390 WeakPolarHBondContact O-CA 3.31Å; S386-G390 PolarHBondContact O-N 3.42Å; G390-L394 WeakPolarHBondContact O-CG 3.29Å; G390-L394 PolarHBondContact O-N 2.57Å |
| 391 | L | 93 | Very high | 89.9 | Confident | 56 Ų | 56 | 23.9 Ų | 23.9 | 29% | 0.293 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -69.3 | -36.7 | 175.7 | -70.6 | 174.8 | 0 | 0 | 0 | 111.9 | L387 D389 F393 L394 V395 M707 V710 | L387-L391 HydrophobicContact CD1-CD1 3.7Å; L387-L391 HydrophobicContact CD1-CG 3.93Å; L387-L391 HydrophobicContact CG-CD1 3.81Å; L387-L391 HydrophobicContact CG-CG 4.36Å; L387-L391 WeakPolarHBondContact O-CB 3.44Å; L387-L391 WeakPolarHBondContact O-CG 3.2Å; L387-L391 PolarHBondContact O-N 3.25Å; D389-L391 PolarHBondContact O-N 2.66Å; L391-F393 VanDerWaalsContact C-N 3.34Å; L391-F393 PolarHBondContact O-N 3.37Å; L391-L394 HydrophobicContact CD2-CD1 4.19Å; L391-L394 PolarHBondContact O-N 3.05Å; L391-L394 VanDerWaalsContact O-N 3.15Å; L391-V395 WeakPolarHBondContact O-CG2 3.38Å; L391-V395 PolarHBondContact O-N 2.91Å; L391-M707 HydrophobicContact CB-CE 4.16Å; L391-V710 HydrophobicContact CD1-CG2 3.62Å |
| 392 | S | 90.9 | Very high | 90 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.007 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.5 | -44.4 | 176.2 | -167.5 | 0 | 0 | 0 | 0 | 111.4 | T388 D389 V395 T755 | T388-S392 WeakPolarHBondContact O-CB 3.22Å; T388-S392 PolarHBondContact O-N 2.89Å; D389-S392 PolarHBondContact O-N 3.03Å; S392-V395 WeakPolarHBondContact O-CB 3.35Å; S392-V395 PolarHBondContact O-N 2.8Å; S392-T755 PolarHBondContact OG-O 3.44Å |
| 393 | F | 91.7 | Very high | 89.8 | Confident | 5 Ų | 5 | 23 Ų | 23 | 2% | 0.022 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.8 | -41.9 | 172.6 | -76.3 | -65.2 | 0 | 0 | 0 | 111.9 | L342 D389 L391 V395 G396 F407 C408 C411 A412 L415 M756 | L342-F393 HydrophobicContact CD1-CZ 4.24Å; L342-F393 HydrophobicContact CD2-CE2 4.04Å; L342-F393 HydrophobicContact CD2-CZ 3.94Å; D389-F393 WeakPolarHBondContact O-CD2 3.46Å; D389-F393 PolarHBondContact O-N 3.04Å; L391-F393 VanDerWaalsContact C-N 3.34Å; L391-F393 PolarHBondContact O-N 3.37Å; F393-V395 PolarHBondContact O-N 2.98Å; F393-G396 PolarHBondContact O-N 2.98Å; F393-F407 AromaticContact CE1-CE1 4Å; F393-F407 HydrophobicContact CE1-CE1 4Å; F393-C408 WeakPolarHBondContact O-CB 3.17Å; F393-C408 PolarHBondContact O-SG 2.93Å; F393-C411 HydrophobicContact CB-CB 4.32Å; F393-C411 HydrophobicContact CD1-CB 3.64Å; F393-C411 HydrophobicContact CD2-CB 3.85Å; F393-C411 HydrophobicContact CE1-CB 3.8Å; F393-C411 HydrophobicContact CE2-CB 4.01Å; F393-C411 HydrophobicContact CG-CB 3.66Å; F393-C411 HydrophobicContact CZ-CB 3.96Å; F393-A412 HydrophobicContact CB-CB 4.04Å; F393-L415 HydrophobicContact CD2-CD1 3.55Å; F393-L415 HydrophobicContact CE2-CD1 3.64Å; F393-M756 HydrophobicContact CE1-CB 4Å; F393-M756 HydrophobicContact CE1-CG 3.89Å; F393-M756 HydrophobicContact CE1-SD 4.25Å; F393-M756 HydrophobicContact CE2-CG 4.46Å; F393-M756 HydrophobicContact CZ-CB 4.16Å; F393-M756 HydrophobicContact CZ-CG 3.57Å; F393-M756 HydrophobicContact CZ-SD 4Å |
| 394 | L | 93.1 | Very high | 89.7 | Confident | 83 Ų | 83 | 21.4 Ų | 21.4 | 44% | 0.435 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -61.4 | -28.2 | 176.5 | -74.4 | 171.7 | 0 | 0 | 0 | 113.6 | G390 L391 G396 N397 A412 | G390-L394 WeakPolarHBondContact O-CG 3.29Å; G390-L394 PolarHBondContact O-N 2.57Å; L391-L394 HydrophobicContact CD2-CD1 4.19Å; L391-L394 PolarHBondContact O-N 3.05Å; L391-L394 VanDerWaalsContact O-N 3.15Å; L394-G396 PolarHBondContact O-N 3.17Å; L394-N397 WeakPolarHBondContact O-CB 3.49Å; L394-N397 PolarHBondContact O-N 3.09Å; L394-N397 VanDerWaalsContact O-N 3.07Å; L394-A412 HydrophobicContact CD2-CB 3.96Å; L394-A412 HydrophobicContact CG-CB 3.86Å |
| 395 | V | 92.3 | Very high | 89.9 | Confident | 8 Ų | 8 | 23 Ų | 23 | 5% | 0.048 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.9 | -34.5 | 171.8 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | L391 S392 F393 N397 L398 D699 V702 A703 | L391-V395 WeakPolarHBondContact O-CG2 3.38Å; L391-V395 PolarHBondContact O-N 2.91Å; S392-V395 WeakPolarHBondContact O-CB 3.35Å; S392-V395 PolarHBondContact O-N 2.8Å; F393-V395 PolarHBondContact O-N 2.98Å; V395-N397 PolarHBondContact O-N 3.29Å; V395-N397 VanDerWaalsContact O-N 3.1Å; V395-L398 HydrophobicContact CG1-CD1 4.5Å; V395-L398 VanDerWaalsContact O-CB 3.28Å; V395-L398 WeakPolarHBondContact O-CB 3.33Å; V395-L398 WeakPolarHBondContact O-CG 3.27Å; V395-L398 PolarHBondContact O-N 3.29Å; V395-D699 HydrophobicContact CG1-CB 4.22Å; V395-V702 HydrophobicContact CG1-CB 4.08Å; V395-V702 HydrophobicContact CG1-CG1 4.09Å; V395-V702 HydrophobicContact CG2-CG1 3.93Å; V395-A703 HydrophobicContact CG1-CB 4.31Å; V395-A703 HydrophobicContact CG2-CB 4.42Å |
| 396 | G | 88.5 | Confident | 90.1 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -63 | -16.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F393 L394 L398 T399 | F393-G396 PolarHBondContact O-N 2.98Å; L394-G396 PolarHBondContact O-N 3.17Å; G396-L398 PolarHBondContact O-N 3.25Å; G396-T399 WeakPolarHBondContact O-CB 3.21Å; G396-T399 WeakPolarHBondContact O-CG2 3.49Å; G396-T399 PolarHBondContact O-N 3.13Å; G396-T399 PolarHBondContact O-OG1 3.3Å |
| 397 | N | 91.3 | Very high | 90.1 | Very high | 51 Ų | 51 | 23 Ų | 23 | 27% | 0.273 | 12% | 0.124 | S | C | . | . | G | 310 helix | trans | -72.9 | -12 | 172.4 | -70 | -4.8 | 0 | 0 | 0 | 113.2 | L394 V395 T399 Q405 T409 | L394-N397 WeakPolarHBondContact O-CB 3.49Å; L394-N397 PolarHBondContact O-N 3.09Å; L394-N397 VanDerWaalsContact O-N 3.07Å; V395-N397 PolarHBondContact O-N 3.29Å; V395-N397 VanDerWaalsContact O-N 3.1Å; N397-T399 VanDerWaalsContact C-N 3.27Å; N397-Q405 WeakPolarHBondContact OD1-CA 3.43Å; N397-Q405 PolarHBondContact OD1-O 2.88Å; N397-Q405 VanDerWaalsContact OD1-O 3.04Å; N397-T409 PolarHBondContact ND2-OG1 2.75Å; N397-T409 PolarHBondContact OD1-OG1 3.35Å; N397-T409 VanDerWaalsContact OD1-OG1 3.09Å |
| 398 | L | 90.8 | Very high | 90.2 | Very high | 103 Ų | 103 | 20.3 Ų | 20.3 | 54% | 0.539 | 11% | 0.111 | S | C | . | . | G | 310 helix | trans | -80.2 | -11.8 | 173.6 | -58.4 | 177.5 | 0 | 0 | 0 | 112.7 | V395 G396 V702 | V395-L398 HydrophobicContact CG1-CD1 4.5Å; V395-L398 VanDerWaalsContact O-CB 3.28Å; V395-L398 WeakPolarHBondContact O-CB 3.33Å; V395-L398 WeakPolarHBondContact O-CG 3.27Å; V395-L398 PolarHBondContact O-N 3.29Å; G396-L398 PolarHBondContact O-N 3.25Å; L398-V702 HydrophobicContact CD1-CG1 4.02Å |
| 399 | T | 88.8 | Confident | 90.4 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -69.5 | 148.9 | -179.8 | 67.2 | 0 | 0 | 0 | 0 | 110.7 | G396 N397 F401 V404 Q405 T695 D699 M751 | G396-T399 WeakPolarHBondContact O-CB 3.21Å; G396-T399 WeakPolarHBondContact O-CG2 3.49Å; G396-T399 PolarHBondContact O-N 3.13Å; G396-T399 PolarHBondContact O-OG1 3.3Å; N397-T399 VanDerWaalsContact C-N 3.27Å; T399-F401 PolarHBondContact O-N 2.76Å; T399-V404 HydrophobicContact CG2-CG1 3.98Å; T399-V404 WeakPolarHBondContact OG1-CB 3.21Å; T399-V404 WeakPolarHBondContact OG1-CG1 3.13Å; T399-Q405 PolarHBondContact O-NE2 3.15Å; T399-T695 HydrophobicContact CG2-CG2 3.72Å; T399-D699 WeakPolarHBondContact CG2-OD2 3.48Å; T399-M751 HydrophobicContact CG2-CE 3.43Å; T399-M751 VanDerWaalsContact CG2-CE 3.43Å; T399-M751 HydrophobicContact CG2-SD 4.19Å |
| 400 | P | 88 | Confident | 90.6 | Very high | 21 Ų | 21 | 21.6 Ų | 21.6 | 14% | 0.136 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -78.5 | 4.3 | 177.3 | 33.8 | -35.5 | 0 | 0 | 0 | 113.3 | P63 E64 P402 | P63-P400 WeakPolarHBondContact CA-O 3.46Å; P63-P400 HydrophobicContact CB-CB 3.99Å; P63-P400 HydrophobicContact CB-CG 4.12Å; E64-P400 PolarHBondContact N-O 3.33Å; P400-P402 WeakPolarHBondContact O-CD 3.48Å |
| 401 | F | 86.7 | Confident | 90.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -102.1 | 108.7 | -173 | -60.2 | -76.5 | 0 | 0 | 0 | 110.8 | P63 T399 A403 V404 Q405 Q688 L691 V692 M748 M751 | P63-F401 HydrophobicContact CB-CD1 4.32Å; P63-F401 HydrophobicContact CB-CE1 4Å; P63-F401 HydrophobicContact CB-CZ 4.49Å; P63-F401 HydrophobicContact CG-CE1 3.99Å; T399-F401 PolarHBondContact O-N 2.76Å; F401-A403 VanDerWaalsContact C-N 3.27Å; F401-A403 PolarHBondContact O-N 3.02Å; F401-V404 HydrophobicContact CB-CB 4.14Å; F401-V404 HydrophobicContact CB-CG2 3.72Å; F401-V404 HydrophobicContact CG-CG2 4.46Å; F401-V404 WeakPolarHBondContact O-CB 3.47Å; F401-V404 PolarHBondContact O-N 3.08Å; F401-Q405 WeakPolarHBondContact O-CG 3.35Å; F401-Q405 PolarHBondContact O-N 3.41Å; F401-Q688 HydrophobicContact CE1-CG 4.01Å; F401-L691 HydrophobicContact CZ-CB 4.24Å; F401-V692 HydrophobicContact CE1-CG2 4.31Å; F401-V692 HydrophobicContact CE2-CG2 4.03Å; F401-V692 HydrophobicContact CZ-CG2 3.55Å; F401-M748 HydrophobicContact CB-CG 4.12Å; F401-M748 HydrophobicContact CB-SD 3.7Å; F401-M748 HydrophobicContact CD1-CG 4.33Å; F401-M748 HydrophobicContact CD1-SD 3.98Å; F401-M748 HydrophobicContact CD2-CG 4.35Å; F401-M748 HydrophobicContact CG-CG 4.02Å; F401-M748 HydrophobicContact CG-SD 3.94Å; F401-M751 HydrophobicContact CD2-CE 3.91Å; F401-M751 HydrophobicContact CD2-SD 4.5Å; F401-M751 HydrophobicContact CE2-CE 4.4Å; F401-M751 HydrophobicContact CE2-SD 4.42Å | ||
| 402 | P | 87.5 | Confident | 90.8 | Very high | 10 Ų | 10 | 18.8 Ų | 18.8 | 7% | 0.065 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -55.5 | -39.3 | -176.9 | -27.5 | 34.9 | 0 | 0 | 0 | 113.6 | D60 E64 P400 V404 Q405 V406 | D60-P402 HydrophobicContact CB-CB 4.16Å; D60-P402 WeakPolarHBondContact O-CD 3.12Å; E64-P402 HydrophobicContact CG-CG 3.69Å; E64-P402 WeakPolarHBondContact OE1-CG 3.4Å; P400-P402 WeakPolarHBondContact O-CD 3.48Å; P402-V404 VanDerWaalsContact C-N 3.26Å; P402-V404 PolarHBondContact O-N 3.07Å; P402-Q405 PolarHBondContact O-N 3.32Å; P402-V406 WeakPolarHBondContact O-CG2 3.2Å; P402-V406 PolarHBondContact O-N 3.04Å |
| 403 | A | 85 | Confident | 91 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.3 | -32.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D60 V333 M335 F401 F407 M748 | D60-A403 HydrophobicContact CB-CB 4.04Å; D60-A403 WeakPolarHBondContact O-CB 3.5Å; D60-A403 PolarHBondContact O-N 3.42Å; V333-A403 HydrophobicContact CG1-CB 4.28Å; M335-A403 HydrophobicContact CE-CB 3.59Å; F401-A403 VanDerWaalsContact C-N 3.27Å; F401-A403 PolarHBondContact O-N 3.02Å; A403-F407 PolarHBondContact O-N 3.26Å; A403-M748 HydrophobicContact CB-CE 3.83Å; A403-M748 HydrophobicContact CB-SD 4.25Å |
| 404 | V | 88.8 | Confident | 91.2 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -72.2 | -46.7 | 174.8 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | T399 F401 P402 V406 F407 C408 M748 M751 I752 | T399-V404 HydrophobicContact CG2-CG1 3.98Å; T399-V404 WeakPolarHBondContact OG1-CB 3.21Å; T399-V404 WeakPolarHBondContact OG1-CG1 3.13Å; F401-V404 HydrophobicContact CB-CB 4.14Å; F401-V404 HydrophobicContact CB-CG2 3.72Å; F401-V404 HydrophobicContact CG-CG2 4.46Å; F401-V404 WeakPolarHBondContact O-CB 3.47Å; F401-V404 PolarHBondContact O-N 3.08Å; P402-V404 VanDerWaalsContact C-N 3.26Å; P402-V404 PolarHBondContact O-N 3.07Å; V404-V406 VanDerWaalsContact C-N 3.31Å; V404-V406 PolarHBondContact O-N 3.18Å; V404-F407 PolarHBondContact O-N 2.9Å; V404-C408 VanDerWaalsContact O-CB 3.28Å; V404-C408 WeakPolarHBondContact O-CB 3.44Å; V404-C408 PolarHBondContact O-N 3.04Å; V404-C408 PolarHBondContact O-SG 3.35Å; V404-M748 HydrophobicContact CG2-CE 4.45Å; V404-M748 HydrophobicContact CG2-CG 3.21Å; V404-M748 HydrophobicContact CG2-SD 3.75Å; V404-M751 HydrophobicContact CB-CE 4.27Å; V404-M751 HydrophobicContact CG1-CE 3.91Å; V404-M751 HydrophobicContact CG2-CE 3.65Å; V404-I752 HydrophobicContact CB-CD1 4.28Å; V404-I752 HydrophobicContact CB-CG1 4.19Å; V404-I752 HydrophobicContact CG1-CD1 4.27Å; V404-I752 HydrophobicContact CG1-CG1 3.69Å; V404-I752 HydrophobicContact CG2-CD1 3.86Å; V404-I752 HydrophobicContact CG2-CG1 3.86Å |
| 405 | Q | 91.6 | Very high | 91.2 | Very high | 56 Ų | 56 | 16.6 Ų | 16.6 | 26% | 0.262 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -58.6 | -43.8 | 178.8 | -59.2 | 176.8 | -6.6 | 0 | 0 | 111.4 | N397 T399 F401 P402 C408 T409 | N397-Q405 WeakPolarHBondContact OD1-CA 3.43Å; N397-Q405 PolarHBondContact OD1-O 2.88Å; N397-Q405 VanDerWaalsContact OD1-O 3.04Å; T399-Q405 PolarHBondContact O-NE2 3.15Å; F401-Q405 WeakPolarHBondContact O-CG 3.35Å; F401-Q405 PolarHBondContact O-N 3.41Å; P402-Q405 PolarHBondContact O-N 3.32Å; Q405-C408 PolarHBondContact O-N 2.74Å; Q405-T409 VanDerWaalsContact O-CB 3.28Å; Q405-T409 WeakPolarHBondContact O-CB 3.43Å; Q405-T409 PolarHBondContact O-N 3.09Å; Q405-T409 PolarHBondContact O-OG1 2.71Å |
| 406 | V | 90.9 | Very high | 91.4 | Very high | 8 Ų | 8 | 21 Ų | 21 | 5% | 0.048 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.2 | -50.2 | 178.1 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | Y330 S331 V333 V336 P402 V404 T409 H410 | Y330-V406 HydrophobicContact CE1-CB 4.28Å; Y330-V406 HydrophobicContact CE1-CG1 4.11Å; Y330-V406 HydrophobicContact CE1-CG2 4.12Å; S331-V406 WeakPolarHBondContact O-CG1 3.21Å; V333-V406 HydrophobicContact CG1-CB 4.29Å; V333-V406 HydrophobicContact CG1-CG1 4.2Å; V333-V406 HydrophobicContact CG2-CB 4.21Å; V333-V406 HydrophobicContact CG2-CG1 3.91Å; V336-V406 HydrophobicContact CG2-CG1 4.42Å; P402-V406 WeakPolarHBondContact O-CG2 3.2Å; P402-V406 PolarHBondContact O-N 3.04Å; V404-V406 VanDerWaalsContact C-N 3.31Å; V404-V406 PolarHBondContact O-N 3.18Å; V406-T409 PolarHBondContact O-N 2.97Å; V406-H410 PolarHBondContact O-N 3.27Å; V406-H410 PolarHBondContact O-ND1 3.01Å |
| 407 | F | 90.7 | Very high | 91.7 | Very high | 6 Ų | 6 | 21.5 Ų | 21.5 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59 | -49.2 | 178.3 | 174.3 | -95.1 | 0 | 0 | 0 | 112.1 | M335 M339 F393 A403 V404 T409 H410 C411 I752 | M335-F407 HydrophobicContact CB-CD2 4.21Å; M335-F407 WeakPolarHBondContact O-CE2 3.37Å; M339-F407 HydrophobicContact CB-CE2 4.49Å; F393-F407 AromaticContact CE1-CE1 4Å; F393-F407 HydrophobicContact CE1-CE1 4Å; A403-F407 PolarHBondContact O-N 3.26Å; V404-F407 PolarHBondContact O-N 2.9Å; F407-T409 PolarHBondContact O-N 2.83Å; F407-H410 PolarHBondContact O-N 3.2Å; F407-C411 WeakPolarHBondContact CZ-SG 3.31Å; F407-C411 PolarHBondContact O-N 3.24Å; F407-C411 PolarHBondContact O-SG 3.11Å; F407-I752 HydrophobicContact CD1-CD1 4.18Å; F407-I752 HydrophobicContact CD1-CG2 3.47Å; F407-I752 VanDerWaalsContact CD1-CG2 3.47Å; F407-I752 HydrophobicContact CE1-CG2 3.25Å; F407-I752 HydrophobicContact CG-CD1 4.47Å; F407-I752 HydrophobicContact CZ-CG2 4.22Å |
| 408 | C | 92.9 | Very high | 91.9 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 3% | 0.027 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.3 | -39.5 | -178.6 | -81.1 | 0 | 0 | 0 | 0 | 113 | F393 V404 Q405 C411 A412 | F393-C408 WeakPolarHBondContact O-CB 3.17Å; F393-C408 PolarHBondContact O-SG 2.93Å; V404-C408 VanDerWaalsContact O-CB 3.28Å; V404-C408 WeakPolarHBondContact O-CB 3.44Å; V404-C408 PolarHBondContact O-N 3.04Å; V404-C408 PolarHBondContact O-SG 3.35Å; Q405-C408 PolarHBondContact O-N 2.74Å; C408-C411 PolarHBondContact O-N 2.92Å; C408-A412 WeakPolarHBondContact O-CB 3.49Å; C408-A412 PolarHBondContact O-N 3.46Å |
| 409 | T | 94.2 | Very high | 92.1 | Very high | 27 Ų | 27 | 15.7 Ų | 15.7 | 17% | 0.166 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.8 | -41.5 | 176.4 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | L325 Y330 N397 Q405 V406 F407 L413 | L325-T409 HydrophobicContact CD2-CG2 4.14Å; Y330-T409 HydrophobicContact CE1-CG2 3.94Å; Y330-T409 PolarHBondContact OH-OG1 3.46Å; N397-T409 PolarHBondContact ND2-OG1 2.75Å; N397-T409 PolarHBondContact OD1-OG1 3.35Å; N397-T409 VanDerWaalsContact OD1-OG1 3.09Å; Q405-T409 VanDerWaalsContact O-CB 3.28Å; Q405-T409 WeakPolarHBondContact O-CB 3.43Å; Q405-T409 PolarHBondContact O-N 3.09Å; Q405-T409 PolarHBondContact O-OG1 2.71Å; V406-T409 PolarHBondContact O-N 2.97Å; F407-T409 PolarHBondContact O-N 2.83Å; T409-L413 WeakPolarHBondContact O-CB 3.37Å; T409-L413 PolarHBondContact O-N 3.04Å; T409-L413 VanDerWaalsContact O-N 3.1Å |
| 410 | H | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.4 | -48.6 | 174.3 | -76.2 | 81 | 0 | 0 | 0 | 111.6 | L325 Y330 S331 V336 M339 V406 F407 L413 A414 | L325-H410 HydrophobicContact CD1-CB 4.19Å; L325-H410 WeakPolarHBondContact CD1-CD2 3.43Å; Y330-H410 AromaticContact CD1-CE1 3.73Å; S331-H410 PolarHBondContact O-CE1 2.96Å; V336-H410 HydrophobicContact CG1-CB 4.09Å; V336-H410 HydrophobicContact CG2-CB 4.37Å; M339-H410 VanDerWaalsContact SD-C 3.57Å; M339-H410 HydrophobicContact SD-CB 3.95Å; V406-H410 PolarHBondContact O-N 3.27Å; V406-H410 PolarHBondContact O-ND1 3.01Å; F407-H410 PolarHBondContact O-N 3.2Å; H410-L413 PolarHBondContact O-N 3.19Å; H410-A414 VanDerWaalsContact O-CB 3.27Å; H410-A414 WeakPolarHBondContact O-CB 3.39Å; H410-A414 PolarHBondContact O-N 3.32Å |
| 411 | C | 93.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.6 | -46.8 | 178.9 | -70.6 | 0 | 0 | 0 | 0 | 112.6 | M339 F393 F407 C408 L413 A414 L415 | M339-C411 HydrophobicContact CG-CB 4.5Å; M339-C411 VanDerWaalsContact CG-SG 3.56Å; F393-C411 HydrophobicContact CB-CB 4.32Å; F393-C411 HydrophobicContact CD1-CB 3.64Å; F393-C411 HydrophobicContact CD2-CB 3.85Å; F393-C411 HydrophobicContact CE1-CB 3.8Å; F393-C411 HydrophobicContact CE2-CB 4.01Å; F393-C411 HydrophobicContact CG-CB 3.66Å; F393-C411 HydrophobicContact CZ-CB 3.96Å; F407-C411 WeakPolarHBondContact CZ-SG 3.31Å; F407-C411 PolarHBondContact O-N 3.24Å; F407-C411 PolarHBondContact O-SG 3.11Å; C408-C411 PolarHBondContact O-N 2.92Å; C411-L413 PolarHBondContact O-N 3.45Å; C411-A414 PolarHBondContact O-N 3.31Å; C411-L415 WeakPolarHBondContact O-CG 3.37Å; C411-L415 PolarHBondContact O-N 3.19Å |
| 412 | A | 94.5 | Very high | 93 | Very high | 9 Ų | 9 | 18.2 Ų | 18.2 | 7% | 0.074 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.3 | -44.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F393 L394 C408 L415 L416 | F393-A412 HydrophobicContact CB-CB 4.04Å; L394-A412 HydrophobicContact CD2-CB 3.96Å; L394-A412 HydrophobicContact CG-CB 3.86Å; C408-A412 WeakPolarHBondContact O-CB 3.49Å; C408-A412 PolarHBondContact O-N 3.46Å; A412-L415 PolarHBondContact O-N 2.8Å; A412-L416 PolarHBondContact O-N 3.29Å |
| 413 | L | 95.6 | Very high | 93.3 | Very high | 40 Ų | 40 | 18.1 Ų | 18.1 | 21% | 0.209 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.8 | -37.2 | 177.2 | -173.7 | 63.6 | 0 | 0 | 0 | 112 | S321 I324 L325 T409 H410 C411 L416 C417 | S321-L413 WeakPolarHBondContact O-CD2 3.13Å; I324-L413 HydrophobicContact CB-CD2 4.28Å; I324-L413 HydrophobicContact CG2-CD2 4.17Å; L325-L413 HydrophobicContact CD1-CD2 3.98Å; L325-L413 HydrophobicContact CD2-CD2 4Å; L325-L413 HydrophobicContact CG-CD2 3.67Å; T409-L413 WeakPolarHBondContact O-CB 3.37Å; T409-L413 PolarHBondContact O-N 3.04Å; T409-L413 VanDerWaalsContact O-N 3.1Å; H410-L413 PolarHBondContact O-N 3.19Å; C411-L413 PolarHBondContact O-N 3.45Å; L413-L416 HydrophobicContact CD1-CD2 4.35Å; L413-L416 PolarHBondContact O-N 3.21Å; L413-C417 WeakPolarHBondContact O-CB 3.28Å; L413-C417 PolarHBondContact O-N 3.1Å; L413-C417 PolarHBondContact O-SG 3.27Å |
| 414 | A | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.1 | -41 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S321 M339 V343 H410 C411 C417 T418 | S321-A414 WeakPolarHBondContact OG-CA 3.29Å; S321-A414 WeakPolarHBondContact OG-CB 3.37Å; M339-A414 HydrophobicContact CE-CB 4.09Å; M339-A414 HydrophobicContact CG-CB 4.48Å; M339-A414 HydrophobicContact SD-CB 3.61Å; V343-A414 HydrophobicContact CG1-CB 4.42Å; V343-A414 HydrophobicContact CG2-CB 4.08Å; H410-A414 VanDerWaalsContact O-CB 3.27Å; H410-A414 WeakPolarHBondContact O-CB 3.39Å; H410-A414 PolarHBondContact O-N 3.32Å; C411-A414 PolarHBondContact O-N 3.31Å; A414-C417 PolarHBondContact O-N 3.35Å; A414-T418 VanDerWaalsContact O-CB 3.24Å; A414-T418 WeakPolarHBondContact O-CB 3.44Å; A414-T418 PolarHBondContact O-N 3.18Å; A414-T418 PolarHBondContact O-OG1 3.44Å |
| 415 | L | 94.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.7 | -38.8 | 175.2 | -71.4 | 170.8 | 0 | 0 | 0 | 112.3 | V343 V346 D389 F393 C411 A412 T418 F419 | V343-L415 HydrophobicContact CG2-CD2 4.37Å; V346-L415 HydrophobicContact CG1-CD2 4.18Å; D389-L415 HydrophobicContact CB-CD1 3.57Å; F393-L415 HydrophobicContact CD2-CD1 3.55Å; F393-L415 HydrophobicContact CE2-CD1 3.64Å; C411-L415 WeakPolarHBondContact O-CG 3.37Å; C411-L415 PolarHBondContact O-N 3.19Å; A412-L415 PolarHBondContact O-N 2.8Å; L415-T418 WeakPolarHBondContact O-CB 3.22Å; L415-T418 PolarHBondContact O-N 2.99Å; L415-F419 WeakPolarHBondContact O-CB 3.48Å; L415-F419 PolarHBondContact O-N 3.49Å |
| 416 | L | 94.7 | Very high | 94.3 | Very high | 101 Ų | 101 | 17 Ų | 17 | 53% | 0.529 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -61.9 | -47 | 172.9 | -178.2 | 64.5 | 0 | 0 | 0 | 111.3 | A412 L413 T418 F419 T420 | A412-L416 PolarHBondContact O-N 3.29Å; L413-L416 HydrophobicContact CD1-CD2 4.35Å; L413-L416 PolarHBondContact O-N 3.21Å; L416-T418 VanDerWaalsContact C-N 3.29Å; L416-T418 PolarHBondContact O-N 2.92Å; L416-F419 PolarHBondContact O-N 3.26Å; L416-T420 WeakPolarHBondContact O-CG2 3.28Å; L416-T420 PolarHBondContact O-N 3.48Å; L416-T420 PolarHBondContact O-OG1 3.48Å |
| 417 | C | 95.8 | Very high | 94.5 | Very high | 11 Ų | 11 | 16.7 Ų | 16.7 | 7% | 0.074 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61 | -41.2 | 175 | -67.8 | 0 | 0 | 0 | 0 | 110.8 | A317 L413 A414 F419 T420 Y421 | A317-C417 HydrophobicContact CB-CB 3.92Å; L413-C417 WeakPolarHBondContact O-CB 3.28Å; L413-C417 PolarHBondContact O-N 3.1Å; L413-C417 PolarHBondContact O-SG 3.27Å; A414-C417 PolarHBondContact O-N 3.35Å; C417-F419 PolarHBondContact O-N 3.05Å; C417-T420 WeakPolarHBondContact CA-OG1 3.27Å; C417-T420 PolarHBondContact O-N 3.49Å; C417-T420 PolarHBondContact O-OG1 2.92Å; C417-Y421 WeakPolarHBondContact O-CB 2.97Å; C417-Y421 VanDerWaalsContact O-CD1 3.3Å; C417-Y421 WeakPolarHBondContact O-CD1 3.16Å; C417-Y421 PolarHBondContact O-N 3.39Å |
| 418 | T | 95.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.012 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.4 | -48.5 | 177.1 | -67.3 | 0 | 0 | 0 | 0 | 111.3 | A317 V343 S347 A414 L415 L416 T420 Y421 Q422 | A317-T418 WeakPolarHBondContact CB-OG1 3.27Å; V343-T418 WeakPolarHBondContact CG1-OG1 3.28Å; S347-T418 WeakPolarHBondContact OG-CG2 3.45Å; A414-T418 VanDerWaalsContact O-CB 3.24Å; A414-T418 WeakPolarHBondContact O-CB 3.44Å; A414-T418 PolarHBondContact O-N 3.18Å; A414-T418 PolarHBondContact O-OG1 3.44Å; L415-T418 WeakPolarHBondContact O-CB 3.22Å; L415-T418 PolarHBondContact O-N 2.99Å; L416-T418 VanDerWaalsContact C-N 3.29Å; L416-T418 PolarHBondContact O-N 2.92Å; T418-T420 PolarHBondContact O-N 2.88Å; T418-Y421 PolarHBondContact O-N 2.93Å; T418-Q422 HydrophobicContact CG2-CG 4.45Å; T418-Q422 WeakPolarHBondContact O-CB 3.31Å; T418-Q422 VanDerWaalsContact O-CG 3.23Å; T418-Q422 WeakPolarHBondContact O-CG 3.47Å; T418-Q422 PolarHBondContact O-N 3.16Å |
| 419 | F | 94.6 | Very high | 94.8 | Very high | 30 Ų | 30 | 17 Ų | 17 | 13% | 0.132 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.9 | -49.1 | 175.7 | 173.6 | -103.4 | 0 | 0 | 0 | 111.9 | F14 I382 L383 S386 L415 L416 C417 Y421 Q422 M423 | F14-F419 HydrophobicContact CE1-CZ 4.4Å; F14-F419 AromaticContact CZ-CZ 3.8Å; F14-F419 HydrophobicContact CZ-CZ 3.8Å; I382-F419 HydrophobicContact CG2-CD2 3.99Å; I382-F419 HydrophobicContact CG2-CE2 4.28Å; L383-F419 HydrophobicContact CB-CE2 3.94Å; L383-F419 HydrophobicContact CB-CZ 4.27Å; L383-F419 HydrophobicContact CD1-CE1 4.2Å; L383-F419 HydrophobicContact CD1-CE2 3.91Å; L383-F419 HydrophobicContact CD1-CZ 3.62Å; L383-F419 HydrophobicContact CG-CZ 4.48Å; S386-F419 WeakPolarHBondContact OG-CD2 3.34Å; L415-F419 WeakPolarHBondContact O-CB 3.48Å; L415-F419 PolarHBondContact O-N 3.49Å; L416-F419 PolarHBondContact O-N 3.26Å; C417-F419 PolarHBondContact O-N 3.05Å; F419-Y421 VanDerWaalsContact C-N 3.33Å; F419-Y421 PolarHBondContact O-N 3.45Å; F419-Q422 PolarHBondContact O-N 2.92Å; F419-M423 HydrophobicContact CD2-CG 4.27Å; F419-M423 HydrophobicContact CE1-CG 4.44Å; F419-M423 HydrophobicContact CE2-CE 4.19Å; F419-M423 HydrophobicContact CE2-CG 3.82Å; F419-M423 HydrophobicContact CZ-CG 3.91Å; F419-M423 WeakPolarHBondContact O-CG 3.38Å; F419-M423 PolarHBondContact O-N 2.88Å |
| 420 | T | 94.6 | Very high | 94.9 | Very high | 61 Ų | 61 | 15.7 Ų | 15.7 | 37% | 0.374 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -62.5 | -40.2 | -179.8 | 59.8 | 0 | 0 | 0 | 0 | 112.1 | L416 C417 T418 S424 | L416-T420 WeakPolarHBondContact O-CG2 3.28Å; L416-T420 PolarHBondContact O-N 3.48Å; L416-T420 PolarHBondContact O-OG1 3.48Å; C417-T420 WeakPolarHBondContact CA-OG1 3.27Å; C417-T420 PolarHBondContact O-N 3.49Å; C417-T420 PolarHBondContact O-OG1 2.92Å; T418-T420 PolarHBondContact O-N 2.88Å; T420-S424 WeakPolarHBondContact O-CB 3.41Å; T420-S424 PolarHBondContact O-N 3.46Å; T420-S424 VanDerWaalsContact O-N 3.13Å; T420-S424 PolarHBondContact O-OG 3.28Å |
| 421 | Y | 95.5 | Very high | 94.9 | Very high | 9 Ų | 9 | 15.7 Ų | 15.7 | 4% | 0.035 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -72.1 | -34.8 | 179.8 | -83.1 | 41.9 | 0 | 0 | 0 | 111.4 | P32 L35 S36 F316 A317 T320 C417 T418 F419 S424 F425 F426 | P32-Y421 HydrophobicContact CB-CD2 4.31Å; P32-Y421 HydrophobicContact CB-CE1 4.36Å; P32-Y421 HydrophobicContact CB-CE2 3.84Å; P32-Y421 PolarHBondContact O-OH 3.34Å; L35-Y421 HydrophobicContact CD2-CE1 4.48Å; S36-Y421 VanDerWaalsContact OG-CE2 3.24Å; S36-Y421 WeakPolarHBondContact OG-CE2 3.24Å; S36-Y421 PolarHBondContact OG-OH 3.06Å; F316-Y421 HydrophobicContact CB-CD2 3.92Å; F316-Y421 HydrophobicContact CB-CE2 3.66Å; A317-Y421 HydrophobicContact CB-CD2 4.43Å; A317-Y421 HydrophobicContact CB-CG 4.37Å; T320-Y421 PolarHBondContact OG1-OH 3.02Å; C417-Y421 WeakPolarHBondContact O-CB 2.97Å; C417-Y421 VanDerWaalsContact O-CD1 3.3Å; C417-Y421 WeakPolarHBondContact O-CD1 3.16Å; C417-Y421 PolarHBondContact O-N 3.39Å; T418-Y421 PolarHBondContact O-N 2.93Å; F419-Y421 VanDerWaalsContact C-N 3.33Å; F419-Y421 PolarHBondContact O-N 3.45Å; Y421-S424 PolarHBondContact O-N 3.41Å; Y421-F425 WeakPolarHBondContact O-CA 3.49Å; Y421-F425 WeakPolarHBondContact O-CB 3.39Å; Y421-F425 PolarHBondContact O-N 2.91Å; Y421-F426 PolarHBondContact O-N 3.43Å |
| 422 | Q | 94.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 18.9 Ų | 18.9 | 2% | 0.023 | 10% | 0.103 | C | C | . | . | I | π-helix | trans | -65.8 | -42.8 | 174.5 | -75.4 | 172.7 | 7.7 | 0 | 0 | 112.6 | S347 N350 T418 F419 S424 T427 | S347-Q422 PolarHBondContact O-NE2 3Å; N350-Q422 VanDerWaalsContact CB-CD 3.48Å; N350-Q422 VanDerWaalsContact CG-OE1 3.29Å; N350-Q422 PolarHBondContact ND2-NE2 2.62Å; N350-Q422 PolarHBondContact ND2-OE1 2.73Å; T418-Q422 HydrophobicContact CG2-CG 4.45Å; T418-Q422 WeakPolarHBondContact O-CB 3.31Å; T418-Q422 VanDerWaalsContact O-CG 3.23Å; T418-Q422 WeakPolarHBondContact O-CG 3.47Å; T418-Q422 PolarHBondContact O-N 3.16Å; F419-Q422 PolarHBondContact O-N 2.92Å; Q422-S424 VanDerWaalsContact C-N 3.29Å; Q422-S424 PolarHBondContact O-N 2.94Å; Q422-T427 PolarHBondContact O-N 3.32Å; Q422-T427 PolarHBondContact O-OG1 2.82Å; Q422-T427 VanDerWaalsContact O-OG1 3.06Å |
| 423 | M | 93.9 | Very high | 94.8 | Very high | 8 Ų | 8 | 19.1 Ų | 19.1 | 4% | 0.039 | 10% | 0.103 | C | C | . | . | I | π-helix | trans | -77.9 | -10 | 179.4 | -65 | -59.8 | 138.9 | 0 | 0 | 114.1 | F14 I21 V375 A379 I382 F419 T427 | F14-M423 HydrophobicContact CD1-SD 3.98Å; F14-M423 HydrophobicContact CE1-CB 4.25Å; F14-M423 HydrophobicContact CE1-CG 3.85Å; F14-M423 HydrophobicContact CE1-SD 3.87Å; I21-M423 WeakPolarHBondContact CD1-O 3.48Å; V375-M423 HydrophobicContact CG1-SD 4.42Å; A379-M423 HydrophobicContact CB-CE 3.97Å; A379-M423 HydrophobicContact CB-SD 3.62Å; I382-M423 HydrophobicContact CB-CE 3.67Å; I382-M423 HydrophobicContact CD1-CE 3.62Å; I382-M423 HydrophobicContact CG1-CE 4.22Å; I382-M423 HydrophobicContact CG2-CE 3.44Å; I382-M423 VanDerWaalsContact CG2-CE 3.44Å; F419-M423 HydrophobicContact CD2-CG 4.27Å; F419-M423 HydrophobicContact CE1-CG 4.44Å; F419-M423 HydrophobicContact CE2-CE 4.19Å; F419-M423 HydrophobicContact CE2-CG 3.82Å; F419-M423 HydrophobicContact CZ-CG 3.91Å; F419-M423 WeakPolarHBondContact O-CG 3.38Å; F419-M423 PolarHBondContact O-N 2.88Å; M423-T427 PolarHBondContact O-OG1 3.37Å |
| 424 | S | 94.1 | Very high | 94.6 | Very high | 25 Ų | 25 | 17.2 Ų | 17.2 | 18% | 0.175 | 9% | 0.093 | C | C | . | . | I | π-helix | trans | -118.1 | -80 | 179.8 | 61.1 | 0 | 0 | 0 | 0 | 111.9 | T420 Y421 Q422 F426 T427 A428 | T420-S424 WeakPolarHBondContact O-CB 3.41Å; T420-S424 PolarHBondContact O-N 3.46Å; T420-S424 VanDerWaalsContact O-N 3.13Å; T420-S424 PolarHBondContact O-OG 3.28Å; Y421-S424 PolarHBondContact O-N 3.41Å; Q422-S424 VanDerWaalsContact C-N 3.29Å; Q422-S424 PolarHBondContact O-N 2.94Å; S424-F426 PolarHBondContact O-N 3.24Å; S424-T427 PolarHBondContact O-N 3.47Å; S424-A428 PolarHBondContact O-N 2.91Å |
| 425 | F | 95.1 | Very high | 94.4 | Very high | 8 Ų | 8 | 21.3 Ų | 21.3 | 4% | 0.035 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -55.7 | -52 | -176.9 | 178.6 | -104.4 | 0 | 0 | 0 | 112.5 | F28 V29 P32 V33 F316 Y421 A428 L429 | F28-F425 WeakPolarHBondContact O-CA 3.29Å; V29-F425 HydrophobicContact CG1-CE2 4.03Å; P32-F425 HydrophobicContact CB-CB 4.06Å; P32-F425 HydrophobicContact CB-CD2 4.15Å; P32-F425 HydrophobicContact CB-CG 4.39Å; P32-F425 HydrophobicContact CG-CB 4.03Å; P32-F425 HydrophobicContact CG-CD2 4.41Å; V33-F425 HydrophobicContact CG2-CD2 4.44Å; V33-F425 HydrophobicContact CG2-CE2 3.68Å; V33-F425 HydrophobicContact CG2-CZ 4.3Å; F316-F425 HydrophobicContact CD2-CE1 4.28Å; F316-F425 HydrophobicContact CD2-CZ 4.19Å; F316-F425 HydrophobicContact CE2-CE1 4.41Å; F316-F425 AromaticContact CE2-CZ 3.96Å; F316-F425 HydrophobicContact CE2-CZ 3.96Å; Y421-F425 WeakPolarHBondContact O-CA 3.49Å; Y421-F425 WeakPolarHBondContact O-CB 3.39Å; Y421-F425 PolarHBondContact O-N 2.91Å; F425-A428 PolarHBondContact O-N 3.26Å; F425-L429 HydrophobicContact CD1-CD1 3.92Å; F425-L429 HydrophobicContact CE1-CD1 3.45Å; F425-L429 VanDerWaalsContact CE1-CD1 3.45Å; F425-L429 HydrophobicContact CE2-CD1 4.1Å; F425-L429 HydrophobicContact CG-CD1 4.44Å; F425-L429 HydrophobicContact CZ-CD1 3.56Å; F425-L429 WeakPolarHBondContact O-CG 3.46Å; F425-L429 PolarHBondContact O-N 3.29Å; F425-L429 VanDerWaalsContact O-N 3.15Å |
| 426 | F | 95.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.009 | 11% | 0.111 | C | C | . | . | I | π-helix | trans | -71.2 | -37.9 | -177 | -174.2 | -116.8 | 0 | 0 | 0 | 112 | L306 V351 M354 Y421 S424 A428 L429 L430 | L306-F426 HydrophobicContact CD1-CD2 4.18Å; L306-F426 HydrophobicContact CD1-CE2 3.34Å; L306-F426 HydrophobicContact CD1-CZ 3.6Å; L306-F426 HydrophobicContact CD2-CZ 4.02Å; L306-F426 HydrophobicContact CG-CE2 3.61Å; L306-F426 HydrophobicContact CG-CZ 3.58Å; L306-F426 WeakPolarHBondContact O-CE2 3.44Å; V351-F426 HydrophobicContact CB-CE1 4.14Å; V351-F426 HydrophobicContact CB-CZ 4.03Å; V351-F426 HydrophobicContact CG1-CE1 4.18Å; V351-F426 HydrophobicContact CG1-CE2 4.26Å; V351-F426 HydrophobicContact CG1-CZ 3.6Å; V351-F426 HydrophobicContact CG2-CD1 4.23Å; V351-F426 HydrophobicContact CG2-CE1 3.79Å; V351-F426 HydrophobicContact CG2-CE2 4.08Å; V351-F426 HydrophobicContact CG2-CZ 3.74Å; M354-F426 HydrophobicContact CE-CD1 2.97Å; M354-F426 HydrophobicContact CE-CE1 3.14Å; M354-F426 HydrophobicContact CE-CG 4.07Å; M354-F426 HydrophobicContact CE-CZ 4.35Å; Y421-F426 PolarHBondContact O-N 3.43Å; S424-F426 PolarHBondContact O-N 3.24Å; F426-A428 VanDerWaalsContact C-N 3.33Å; F426-A428 PolarHBondContact O-N 3.11Å; F426-L429 PolarHBondContact O-N 3.48Å; F426-L430 PolarHBondContact O-N 3.04Å |
| 427 | T | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.3 | -41.3 | 170.8 | -60 | 0 | 0 | 0 | 0 | 112.6 | I21 T371 V375 Q422 M423 S424 L430 A431 | I21-T427 HydrophobicContact CB-CG2 4.29Å; I21-T427 HydrophobicContact CD1-CG2 4.14Å; I21-T427 HydrophobicContact CG2-CG2 3.99Å; T371-T427 HydrophobicContact CG2-CG2 3.85Å; V375-T427 HydrophobicContact CG2-CG2 3.52Å; Q422-T427 PolarHBondContact O-N 3.32Å; Q422-T427 PolarHBondContact O-OG1 2.82Å; Q422-T427 VanDerWaalsContact O-OG1 3.06Å; M423-T427 PolarHBondContact O-OG1 3.37Å; S424-T427 PolarHBondContact O-N 3.47Å; T427-L430 WeakPolarHBondContact O-CB 3.26Å; T427-L430 PolarHBondContact O-N 3.48Å; T427-A431 PolarHBondContact O-N 3.12Å |
| 428 | A | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.8 | -40.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I21 P25 F28 V29 S424 F425 F426 A431 L432 | I21-A428 HydrophobicContact CG2-CB 3.7Å; P25-A428 HydrophobicContact CB-CB 4.14Å; F28-A428 HydrophobicContact CB-CB 3.76Å; V29-A428 HydrophobicContact CG2-CB 3.84Å; S424-A428 PolarHBondContact O-N 2.91Å; F425-A428 PolarHBondContact O-N 3.26Å; F426-A428 VanDerWaalsContact C-N 3.33Å; F426-A428 PolarHBondContact O-N 3.11Å; A428-A431 PolarHBondContact O-N 3.49Å; A428-L432 WeakPolarHBondContact O-CG 3.28Å; A428-L432 PolarHBondContact O-N 3.02Å |
| 429 | L | 95.1 | Very high | 93.2 | Very high | 16 Ų | 16 | 23.9 Ų | 23.9 | 8% | 0.084 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.4 | -36.6 | 175.9 | -66.5 | 171.2 | 0 | 0 | 0 | 112.2 | V29 Y309 F425 F426 L432 D433 | V29-L429 HydrophobicContact CG1-CD2 4.45Å; V29-L429 HydrophobicContact CG2-CD2 3.95Å; V29-L429 HydrophobicContact CG2-CG 4.25Å; Y309-L429 HydrophobicContact CD1-CD1 4.13Å; Y309-L429 HydrophobicContact CD2-CB 4.34Å; Y309-L429 HydrophobicContact CD2-CD1 4.14Å; Y309-L429 HydrophobicContact CD2-CD2 4.33Å; Y309-L429 HydrophobicContact CE2-CD2 4.44Å; Y309-L429 HydrophobicContact CG-CD1 3.72Å; F425-L429 HydrophobicContact CD1-CD1 3.92Å; F425-L429 HydrophobicContact CE1-CD1 3.45Å; F425-L429 VanDerWaalsContact CE1-CD1 3.45Å; F425-L429 HydrophobicContact CE2-CD1 4.1Å; F425-L429 HydrophobicContact CG-CD1 4.44Å; F425-L429 HydrophobicContact CZ-CD1 3.56Å; F425-L429 WeakPolarHBondContact O-CG 3.46Å; F425-L429 PolarHBondContact O-N 3.29Å; F425-L429 VanDerWaalsContact O-N 3.15Å; F426-L429 PolarHBondContact O-N 3.48Å; L429-L432 HydrophobicContact CD2-CD1 4.43Å; L429-L432 PolarHBondContact O-N 3.49Å; L429-D433 WeakPolarHBondContact O-CB 3.49Å; L429-D433 PolarHBondContact O-N 2.88Å |
| 430 | L | 94.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.8 | -44.3 | 172.1 | 178.3 | 64 | 0 | 0 | 0 | 111.4 | L306 M354 W358 F426 T427 D433 G434 | L306-L430 HydrophobicContact CD1-CB 4.28Å; L306-L430 HydrophobicContact CD1-CD1 4.43Å; L306-L430 HydrophobicContact CD2-CD1 3.78Å; M354-L430 HydrophobicContact CE-CD2 4.09Å; M354-L430 HydrophobicContact CG-CD2 3.84Å; M354-L430 HydrophobicContact SD-CD2 3.95Å; W358-L430 HydrophobicContact CB-CD1 4.36Å; W358-L430 HydrophobicContact CD2-CD1 3.97Å; W358-L430 HydrophobicContact CD2-CG 4.39Å; W358-L430 HydrophobicContact CE3-CD1 4.12Å; W358-L430 HydrophobicContact CE3-CD2 4.09Å; W358-L430 HydrophobicContact CE3-CG 4.03Å; W358-L430 HydrophobicContact CG-CD1 4.06Å; W358-L430 HydrophobicContact CZ3-CG 4.49Å; F426-L430 PolarHBondContact O-N 3.04Å; T427-L430 WeakPolarHBondContact O-CB 3.26Å; T427-L430 PolarHBondContact O-N 3.48Å; L430-D433 PolarHBondContact O-N 2.98Å; L430-G434 PolarHBondContact O-N 3.04Å |
| 431 | A | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.4 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | A22 V367 T371 T427 A428 G434 R435 | A22-A431 HydrophobicContact CB-CB 3.91Å; V367-A431 WeakPolarHBondContact CG1-O 3.49Å; T371-A431 HydrophobicContact CG2-CB 4.39Å; T427-A431 PolarHBondContact O-N 3.12Å; A428-A431 PolarHBondContact O-N 3.49Å; A431-G434 PolarHBondContact O-N 3Å; A431-R435 PolarHBondContact O-N 3.33Å |
| 432 | L | 93.6 | Very high | 91.8 | Very high | 67 Ų | 67 | 35.8 Ų | 35.8 | 35% | 0.351 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.5 | -42.6 | 175.9 | -71.1 | 173.4 | 0 | 0 | 0 | 112.4 | P25 V29 A428 L429 G434 R435 R436 | P25-L432 HydrophobicContact CB-CD1 4.31Å; P25-L432 HydrophobicContact CB-CD2 4.09Å; P25-L432 HydrophobicContact CB-CG 3.93Å; P25-L432 HydrophobicContact CG-CD2 3.64Å; P25-L432 HydrophobicContact CG-CG 4.07Å; V29-L432 HydrophobicContact CG2-CD1 4.23Å; A428-L432 WeakPolarHBondContact O-CG 3.28Å; A428-L432 PolarHBondContact O-N 3.02Å; L429-L432 HydrophobicContact CD2-CD1 4.43Å; L429-L432 PolarHBondContact O-N 3.49Å; L432-G434 VanDerWaalsContact C-N 3.32Å; L432-R435 WeakPolarHBondContact O-CB 3.49Å; L432-R435 PolarHBondContact O-N 3.13Å; L432-R436 PolarHBondContact O-N 3.42Å; L432-R436 VanDerWaalsContact O-N 3.15Å |
| 433 | D | 92.6 | Very high | 91.3 | Very high | 13 Ų | 13 | 36 Ų | 36 | 7% | 0.07 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68 | -33.1 | 174.7 | -167.9 | 73.9 | 0 | 0 | 0 | 112 | K303 L429 L430 R435 R436 E437 | K303-D433 WeakPolarHBondContact CD-OD2 3.4Å; K303-D433 WeakPolarHBondContact CE-OD2 3.24Å; K303-D433 WeakPolarHBondContact CG-OD2 3.37Å; K303-D433 IonicContact NZ-OD2 2.57Å; K303-D433 PolarHBondContact NZ-OD2 3.37Å; L429-D433 WeakPolarHBondContact O-CB 3.49Å; L429-D433 PolarHBondContact O-N 2.88Å; L430-D433 PolarHBondContact O-N 2.98Å; D433-R435 VanDerWaalsContact C-N 3.34Å; D433-R435 PolarHBondContact O-N 3.45Å; D433-R436 WeakPolarHBondContact O-CB 3.47Å; D433-R436 PolarHBondContact O-N 2.97Å; D433-R436 IonicContact OD1-CZ 3.23Å; D433-R436 IonicContact OD1-NE 3.23Å; D433-R436 PolarHBondContact OD1-NE 3.49Å; D433-R436 IonicContact OD1-NH2 3.8Å; D433-R436 PolarHBondContact OD1-NH2 2.81Å; D433-R436 VanDerWaalsContact OD1-NH2 3.16Å; D433-R436 IonicContact OD2-CZ 3.52Å; D433-R436 IonicContact OD2-NE 3.66Å; D433-R436 IonicContact OD2-NH2 2.82Å; D433-R436 PolarHBondContact OD2-NH2 3.3Å; D433-E437 PolarHBondContact O-N 3.18Å |
| 434 | G | 91.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59 | -42.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L430 A431 L432 R436 E437 V438 | L430-G434 PolarHBondContact O-N 3.04Å; A431-G434 PolarHBondContact O-N 3Å; L432-G434 VanDerWaalsContact C-N 3.32Å; G434-R436 VanDerWaalsContact C-N 3.32Å; G434-R436 PolarHBondContact O-N 3.16Å; G434-E437 WeakPolarHBondContact O-CB 3.46Å; G434-E437 PolarHBondContact O-N 3.25Å; G434-V438 WeakPolarHBondContact O-CG2 3.42Å; G434-V438 PolarHBondContact O-N 3.35Å |
| 435 | R | 91.7 | Very high | 90.2 | Very high | 86 Ų | 86 | 43.2 Ų | 43.2 | 33% | 0.325 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.5 | -35.8 | 173.8 | -69.1 | 178.6 | 175.3 | 168 | 0.5 | 112.5 | A22 V367 E368 A431 L432 D433 S439 | A22-R435 PolarHBondContact O-NH2 2.84Å; V367-R435 HydrophobicContact CB-CG 4.32Å; V367-R435 HydrophobicContact CG1-CG 4.07Å; V367-R435 HydrophobicContact CG2-CG 4.03Å; E368-R435 IonicContact OE1-CZ 3.15Å; E368-R435 IonicContact OE1-NE 2.93Å; E368-R435 IonicContact OE1-NH2 3.05Å; E368-R435 PolarHBondContact OE1-NH2 3.36Å; A431-R435 PolarHBondContact O-N 3.33Å; L432-R435 WeakPolarHBondContact O-CB 3.49Å; L432-R435 PolarHBondContact O-N 3.13Å; D433-R435 VanDerWaalsContact C-N 3.34Å; D433-R435 PolarHBondContact O-N 3.45Å; R435-S439 VanDerWaalsContact O-CB 3.31Å; R435-S439 WeakPolarHBondContact O-CB 3.46Å; R435-S439 PolarHBondContact O-N 2.92Å; R435-S439 PolarHBondContact O-OG 2.94Å |
| 436 | R | 91.5 | Very high | 89.4 | Confident | 13 Ų | 13 | 47.3 Ų | 47.3 | 5% | 0.049 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.9 | -48 | 172 | 174.5 | -155.4 | 61.2 | 98.7 | -11.6 | 111.2 | V300 S302 L432 D433 G434 S439 R440 R441 F446 | V300-R436 PolarHBondContact O-NH1 3.07Å; S302-R436 PolarHBondContact O-NH2 3.47Å; L432-R436 PolarHBondContact O-N 3.42Å; L432-R436 VanDerWaalsContact O-N 3.15Å; D433-R436 WeakPolarHBondContact O-CB 3.47Å; D433-R436 PolarHBondContact O-N 2.97Å; D433-R436 IonicContact OD1-CZ 3.23Å; D433-R436 IonicContact OD1-NE 3.23Å; D433-R436 PolarHBondContact OD1-NE 3.49Å; D433-R436 IonicContact OD1-NH2 3.8Å; D433-R436 PolarHBondContact OD1-NH2 2.81Å; D433-R436 VanDerWaalsContact OD1-NH2 3.16Å; D433-R436 IonicContact OD2-CZ 3.52Å; D433-R436 IonicContact OD2-NE 3.66Å; D433-R436 IonicContact OD2-NH2 2.82Å; D433-R436 PolarHBondContact OD2-NH2 3.3Å; G434-R436 VanDerWaalsContact C-N 3.32Å; G434-R436 PolarHBondContact O-N 3.16Å; R436-S439 WeakPolarHBondContact O-CB 3.47Å; R436-S439 PolarHBondContact O-N 3.04Å; R436-R440 PolarHBondContact O-N 2.93Å; R436-R441 HydrophobicContact CG-CB 3.79Å; R436-R441 PolarHBondContact NH1-O 3.5Å; R436-R441 PolarHBondContact O-N 2.86Å; R436-F446 HydrophobicContact CG-CD1 4.14Å; R436-F446 HydrophobicContact CG-CE1 4.47Å |
| 437 | E | 88.6 | Confident | 88.7 | Confident | 28 Ų | 28 | 56.3 Ų | 56.3 | 13% | 0.131 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.7 | -50 | 179.1 | -174.5 | -170.6 | 136.3 | 0 | 0 | 110.9 | K303 W358 R370 D433 G434 S439 R440 | K303-E437 VanDerWaalsContact CE-OE2 3.24Å; K303-E437 WeakPolarHBondContact CE-OE2 3.25Å; K303-E437 IonicContact NZ-OE2 2.93Å; K303-E437 PolarHBondContact NZ-OE2 3.28Å; W358-E437 PolarHBondContact NE1-OE2 3.07Å; W358-E437 VanDerWaalsContact NE1-OE2 3.1Å; R370-E437 IonicContact CZ-OE1 3.62Å; R370-E437 IonicContact NH1-OE1 3.65Å; R370-E437 PolarHBondContact NH1-OE1 3.3Å; R370-E437 IonicContact NH2-OE1 2.97Å; R370-E437 PolarHBondContact NH2-OE1 2.94Å; D433-E437 PolarHBondContact O-N 3.18Å; G434-E437 WeakPolarHBondContact O-CB 3.46Å; G434-E437 PolarHBondContact O-N 3.25Å; E437-S439 VanDerWaalsContact C-N 3.28Å; E437-S439 PolarHBondContact O-N 3.48Å; E437-R440 PolarHBondContact O-N 2.95Å |
| 438 | V | 87.7 | Confident | 87.7 | Confident | 84 Ų | 84 | 64.1 Ų | 64.1 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.1 | -35.4 | 177.3 | 173.4 | 0 | 0 | 0 | 0 | 111.9 | V367 G434 R440 | V367-V438 HydrophobicContact CG2-CB 4.35Å; V367-V438 HydrophobicContact CG2-CG2 3.69Å; G434-V438 WeakPolarHBondContact O-CG2 3.42Å; G434-V438 PolarHBondContact O-N 3.35Å; V438-R440 PolarHBondContact O-N 3.15Å; V438-R440 VanDerWaalsContact O-N 3.16Å |
| 439 | S | 86.7 | Confident | 86.2 | Confident | 46 Ų | 46 | 66.7 Ų | 66.7 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -3 | 175.7 | -62.9 | 0 | 0 | 0 | 0 | 114.4 | R435 R436 E437 R441 | R435-S439 VanDerWaalsContact O-CB 3.31Å; R435-S439 WeakPolarHBondContact O-CB 3.46Å; R435-S439 PolarHBondContact O-N 2.92Å; R435-S439 PolarHBondContact O-OG 2.94Å; R436-S439 WeakPolarHBondContact O-CB 3.47Å; R436-S439 PolarHBondContact O-N 3.04Å; E437-S439 VanDerWaalsContact C-N 3.28Å; E437-S439 PolarHBondContact O-N 3.48Å; S439-R441 VanDerWaalsContact C-N 3.3Å; S439-R441 PolarHBondContact O-N 3.1Å |
| 440 | R | 84.3 | Confident | 84.3 | Confident | 178 Ų | 178 | 73.9 Ų | 73.9 | 67% | 0.672 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 47.3 | -174.1 | -59.4 | -171.2 | 179.9 | -171.4 | -0.4 | 112.4 | R436 E437 V438 T449 | R436-R440 PolarHBondContact O-N 2.93Å; E437-R440 PolarHBondContact O-N 2.95Å; V438-R440 PolarHBondContact O-N 3.15Å; V438-R440 VanDerWaalsContact O-N 3.16Å; R440-T449 PolarHBondContact O-N 3.4Å; R440-T449 PolarHBondContact O-OG1 3.46Å |
| 441 | R | 85.8 | Confident | 82.1 | Confident | 120 Ų | 120 | 81 Ų | 81 | 45% | 0.453 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -95.6 | 140.6 | 174.2 | -66.3 | 177.1 | -173.9 | -166.2 | 5.1 | 110 | R436 S439 F446 R447 | R436-R441 HydrophobicContact CG-CB 3.79Å; R436-R441 PolarHBondContact NH1-O 3.5Å; R436-R441 PolarHBondContact O-N 2.86Å; S439-R441 VanDerWaalsContact C-N 3.3Å; S439-R441 PolarHBondContact O-N 3.1Å; R441-F446 WeakPolarHBondContact CD-O 3.46Å; R441-R447 CarbonylContact C-O 3.59Å; R441-R447 WeakPolarHBondContact CA-O 3.36Å |
| 442 | H | 86.5 | Confident | 79.6 | Confident | 52 Ų | 52 | 89.3 Ų | 89.3 | 24% | 0.241 | 41% | 0.41 | C | S | . | . | trans | -58 | 139.1 | 174.9 | -169.4 | -63.7 | 0 | 0 | 0 | 110.5 | A299 L444 T445 F446 R447 T449 | A299-H442 CarbonylContact O-C 3.56Å; A299-H442 WeakPolarHBondContact O-CA 3.43Å; H442-L444 PolarHBondContact ND1-N 2.88Å; H442-L444 VanDerWaalsContact ND1-N 3.17Å; H442-L444 PolarHBondContact O-N 3.44Å; H442-T445 WeakPolarHBondContact CB-OG1 3.23Å; H442-F446 VanDerWaalsContact O-CA 3.26Å; H442-F446 WeakPolarHBondContact O-CA 3.44Å; H442-F446 PolarHBondContact O-N 3.48Å; H442-R447 PolarHBondContact N-O 3.45Å; H442-T449 HydrophobicContact CB-CG2 4.31Å | ||
| 443 | C | 84.1 | Confident | 76.8 | Confident | 10 Ų | 10 | 91.6 Ų | 91.6 | 7% | 0.068 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -43.1 | -174.8 | 58.9 | 0 | 0 | 0 | 0 | 114.2 | A299 S302 P304 W305 | A299-C443 WeakPolarHBondContact O-CB 3.16Å; A299-C443 PolarHBondContact O-N 2.88Å; A299-C443 PolarHBondContact O-SG 2.69Å; A299-C443 VanDerWaalsContact O-SG 3.34Å; S302-C443 WeakPolarHBondContact O-CB 3.33Å; P304-C443 HydrophobicContact CG-CB 4.17Å; W305-C443 PolarHBondContact NE1-O 3.29Å |
| 444 | L | 83.3 | Confident | 73.9 | Confident | 105 Ų | 105 | 100.6 Ų | 100.6 | 55% | 0.55 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -50.4 | 179 | -62.1 | 174 | 0 | 0 | 0 | 113.8 | P304 H442 F446 | P304-L444 HydrophobicContact CB-CD2 4.41Å; P304-L444 HydrophobicContact CG-CD2 3.81Å; H442-L444 PolarHBondContact ND1-N 2.88Å; H442-L444 VanDerWaalsContact ND1-N 3.17Å; H442-L444 PolarHBondContact O-N 3.44Å; L444-F446 WeakPolarHBondContact O-CD2 3.28Å |
| 445 | T | 80.8 | Confident | 71.2 | Confident | 79 Ų | 79 | 107.2 Ų | 107.2 | 49% | 0.485 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -10 | -170.7 | 62.2 | 0 | 0 | 0 | 0 | 113.9 | H442 R447 | H442-T445 WeakPolarHBondContact CB-OG1 3.23Å; T445-R447 PolarHBondContact O-N 3.48Å |
| 446 | F | 78 | Confident | 68.5 | Low | 93 Ų | 93 | 108.2 Ų | 108.2 | 41% | 0.408 | 52% | 0.521 | S | S | . | . | trans | 54.4 | 9.8 | -172.6 | -59.1 | -85.6 | 0 | 0 | 0 | 114.9 | W305 R436 R441 H442 L444 | W305-F446 AromaticContact CD1-CE2 3.98Å; W305-F446 AromaticContact CD1-CZ 3.45Å; W305-F446 VanDerWaalsContact CD1-CZ 3.45Å; W305-F446 HydrophobicContact CD2-CZ 4.46Å; W305-F446 AromaticContact CE2-CE2 3.93Å; W305-F446 HydrophobicContact CG-CZ 4.13Å; W305-F446 HydrophobicContact CZ2-CE2 4.36Å; W305-F446 AromaticContact NE1-CE2 3.39Å; W305-F446 AromaticContact NE1-CZ 3.38Å; R436-F446 HydrophobicContact CG-CD1 4.14Å; R436-F446 HydrophobicContact CG-CE1 4.47Å; R441-F446 WeakPolarHBondContact CD-O 3.46Å; H442-F446 VanDerWaalsContact O-CA 3.26Å; H442-F446 WeakPolarHBondContact O-CA 3.44Å; H442-F446 PolarHBondContact O-N 3.48Å; L444-F446 WeakPolarHBondContact O-CD2 3.28Å | ||
| 447 | R | 79.7 | Confident | 65.5 | Low | 191 Ų | 191 | 112.9 Ų | 112.9 | 72% | 0.721 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 145.5 | 176.4 | -66.2 | -174.7 | -179.3 | -169.5 | 0.2 | 110 | R441 H442 T445 T449 | R441-R447 CarbonylContact C-O 3.59Å; R441-R447 WeakPolarHBondContact CA-O 3.36Å; H442-R447 PolarHBondContact N-O 3.45Å; T445-R447 PolarHBondContact O-N 3.48Å; R447-T449 PolarHBondContact O-N 2.92Å |
| 448 | R | 74.5 | Confident | 62.8 | Low | 165 Ų | 165 | 117.4 Ų | 117.4 | 62% | 0.623 | 59% | 0.59 | S | S | * | * | B | Isolated β-bridge | trans | -67.4 | 124.8 | 177.4 | -157.8 | 176.7 | -163 | 168.2 | 5.8 | 109.2 | I450 | R448-I450 PolarHBondContact O-N 2.78Å |
| 449 | T | 66 | Low | 60 | Low | 54 Ų | 54 | 118.9 Ų | 118.9 | 33% | 0.331 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -69.9 | 131.5 | 172.5 | 41.9 | 0 | 0 | 0 | 0 | 108.7 | V300 R440 H442 R447 K451 | V300-T449 HydrophobicContact CG2-CG2 4.36Å; R440-T449 PolarHBondContact O-N 3.4Å; R440-T449 PolarHBondContact O-OG1 3.46Å; H442-T449 HydrophobicContact CB-CG2 4.31Å; R447-T449 PolarHBondContact O-N 2.92Å; T449-K451 PolarHBondContact O-N 2.87Å |
| 450 | I | 54.3 | Low | 57.6 | Low | 167 Ų | 167 | 122.3 Ų | 122.3 | 86% | 0.856 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 127.5 | -169.1 | -62.4 | 171 | 0 | 0 | 0 | 109.7 | R448 | R448-I450 PolarHBondContact O-N 2.78Š|
| 451 | K | 49.1 | Very low | 55.2 | Low | 151 Ų | 151 | 122.9 Ų | 122.9 | 66% | 0.657 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 135.2 | 173.5 | -78.7 | 179.5 | 172.6 | -177.4 | 0 | 109.1 | T449 T453 | T449-K451 PolarHBondContact O-N 2.87Å; K451-T453 PolarHBondContact O-N 3.43Å |
| 452 | H | 41.6 | Very low | 52.8 | Low | 173 Ų | 173 | 123 Ų | 123 | 80% | 0.801 | 64% | 0.642 | S | S | * | * | trans | -46.2 | 111.3 | 162.1 | -111.3 | -81.7 | 0 | 0 | 0 | 109.1 | K454 | H452-K454 PolarHBondContact O-N 3.33Å; H452-K454 VanDerWaalsContact O-N 3.17Å | ||
| 453 | T | 33.8 | Very low | 50.4 | Low | 116 Ų | 116 | 127.7 Ų | 127.7 | 71% | 0.712 | 66% | 0.664 | S | S | * | * | trans | -61.4 | 110.7 | 161 | 29.1 | 0 | 0 | 0 | 0 | 106.8 | K451 D455 | K451-T453 PolarHBondContact O-N 3.43Å; T453-D455 PolarHBondContact O-N 3.01Å | ||
| 454 | K | 33.1 | Very low | 48.1 | Very low | 201 Ų | 201 | 135.4 Ų | 135.4 | 87% | 0.874 | 70% | 0.696 | S | S | * | * | trans | -66.1 | 91.6 | 151.9 | -85.4 | -178.3 | 171.9 | -178.3 | 0 | 104.9 | H452 | H452-K454 PolarHBondContact O-N 3.33Å; H452-K454 VanDerWaalsContact O-N 3.17Å | ||
| 455 | D | 33.4 | Very low | 46.2 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | trans | -164.6 | 130 | 158.5 | -88.1 | -32 | 0 | 0 | 0 | 110.8 | T453 | T453-D455 PolarHBondContact O-N 3.01Š| ||
| 456 | S | 34.7 | Very low | 44.1 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 75% | 0.748 | 69% | 0.694 | S | S | * | * | trans | 67.5 | 109 | 160.5 | 60.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 457 | S | 29.8 | Very low | 42.2 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 78% | 0.783 | 70% | 0.701 | S | S | * | * | 29.4 | 135.3 | 128.9 | 57 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 458 | C | 32.2 | Very low | 40.3 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 83% | 0.831 | 68% | 0.683 | S | S | * | * | trans | 91.5 | 102.6 | 171.8 | -81.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 459 | S | 28.8 | Very low | 38.7 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 80% | 0.797 | 67% | 0.673 | S | S | * | * | trans | -43.6 | 133.4 | 158.9 | 52.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 460 | P | 35.9 | Very low | 37.5 | Very low | 119 Ų | 119 | 127 Ų | 127 | 77% | 0.773 | 68% | 0.678 | S | S | * | * | -135.8 | 121.7 | 104.6 | 29.8 | -14.5 | 0 | 0 | 0 | 112.7 | |||||
| 461 | K | 33.5 | Very low | 36.8 | Very low | 190 Ų | 190 | 120.8 Ų | 120.8 | 83% | 0.826 | 66% | 0.655 | S | S | * | * | trans | 31.6 | 109.2 | 148.3 | -63.2 | -179.6 | 178.8 | 178.8 | 0 | 118.1 | H463 | K461-H463 VanDerWaalsContact C-N 3.34Å; K461-H463 PolarHBondContact O-N 3.36Å | ||
| 462 | N | 35.1 | Very low | 36.8 | Very low | 121 Ų | 121 | 116.8 Ų | 116.8 | 65% | 0.647 | 64% | 0.636 | S | S | * | * | trans | -56.1 | 71.4 | 170 | -71.6 | -24.3 | 0 | 0 | 0 | 115 | ||||
| 463 | H | 35.9 | Very low | 37.2 | Very low | 152 Ų | 152 | 116.3 Ų | 116.3 | 70% | 0.704 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -89.8 | -9.5 | 173.2 | -111.3 | -66.3 | 0 | 0 | 0 | 114.7 | K461 | K461-H463 VanDerWaalsContact C-N 3.34Å; K461-H463 PolarHBondContact O-N 3.36Å |
| 464 | F | 37.5 | Very low | 38.2 | Very low | 172 Ų | 172 | 113.9 Ų | 113.9 | 75% | 0.754 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -102.1 | -24 | -174.9 | -164.3 | -103.4 | 0 | 0 | 0 | 114.1 | ||
| 465 | I | 41.8 | Very low | 39.7 | Very low | 91 Ų | 91 | 108.5 Ų | 108.5 | 47% | 0.467 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -81.8 | -27.2 | 179.8 | -62.5 | 176.5 | 0 | 0 | 0 | 111.3 | ||
| 466 | D | 38 | Very low | 41.2 | Very low | 98 Ų | 98 | 105 Ų | 105 | 52% | 0.524 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.5 | -27.5 | 178.5 | -80.3 | -24.1 | 0 | 0 | 0 | 113.5 | V468 I470 | D466-V468 VanDerWaalsContact C-N 3.32Å; D466-V468 PolarHBondContact O-N 3.01Å; D466-I470 WeakPolarHBondContact O-CG1 3.18Å |
| 467 | N | 37.2 | Very low | 43 | Very low | 103 Ų | 103 | 106.4 Ų | 106.4 | 55% | 0.551 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -18.1 | -177.1 | -76.9 | -10.9 | 0 | 0 | 0 | 114.6 | I470 | N467-I470 HydrophobicContact CB-CD1 4.35Å; N467-I470 WeakPolarHBondContact O-CB 3.46Å; N467-I470 WeakPolarHBondContact O-CG1 3.38Å |
| 468 | V | 40.9 | Very low | 45.1 | Very low | 57 Ų | 57 | 104.5 Ų | 104.5 | 35% | 0.345 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.5 | -22.5 | -173.7 | -178 | 0 | 0 | 0 | 0 | 112.5 | N298 D466 I470 | N298-V468 HydrophobicContact CB-CG1 3.92Å; D466-V468 VanDerWaalsContact C-N 3.32Å; D466-V468 PolarHBondContact O-N 3.01Å; V468-I470 PolarHBondContact O-N 2.86Å |
| 469 | N | 39.3 | Very low | 47.2 | Very low | 76 Ų | 76 | 99.3 Ų | 99.3 | 41% | 0.406 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -70.1 | -11.4 | 165.4 | -84.2 | -31 | 0 | 0 | 0 | 112.4 | R473 | N469-R473 WeakPolarHBondContact O-CB 2.99Å; N469-R473 WeakPolarHBondContact O-CD 3.35Å; N469-R473 WeakPolarHBondContact O-CG 3.22Å; N469-R473 PolarHBondContact O-N 2.94Å |
| 470 | I | 41.3 | Very low | 49.5 | Very low | 85 Ų | 85 | 98.6 Ų | 98.6 | 44% | 0.436 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.4 | -38.1 | -172.7 | -55.1 | -175.8 | 0 | 0 | 0 | 112.2 | D466 N467 V468 S474 | D466-I470 WeakPolarHBondContact O-CG1 3.18Å; N467-I470 HydrophobicContact CB-CD1 4.35Å; N467-I470 WeakPolarHBondContact O-CB 3.46Å; N467-I470 WeakPolarHBondContact O-CG1 3.38Å; V468-I470 PolarHBondContact O-N 2.86Å; I470-S474 WeakPolarHBondContact O-CB 3.48Å; I470-S474 PolarHBondContact O-N 3.09Å; I470-S474 PolarHBondContact O-OG 3.26Å |
| 471 | G | 40.5 | Very low | 51.7 | Low | 36 Ų | 36 | 97.5 Ų | 97.5 | 37% | 0.371 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.8 | -58.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S474 F475 | G471-S474 WeakPolarHBondContact O-CB 3.39Å; G471-S474 PolarHBondContact O-N 2.91Å; G471-S474 VanDerWaalsContact O-N 3.08Å; G471-F475 PolarHBondContact O-N 3.43Å |
| 472 | W | 49.6 | Very low | 54.1 | Low | 67 Ų | 67 | 91.9 Ų | 91.9 | 25% | 0.254 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 175.2 | -93.6 | 116.2 | 0 | 0 | 0 | 113.9 | D296 R359 S474 F475 D476 | D296-W472 HydrophobicContact CB-CZ2 4.18Å; D296-W472 VanDerWaalsContact O-CD1 3.27Å; D296-W472 WeakPolarHBondContact OD1-CZ2 3.39Å; D296-W472 PolarHBondContact OD1-NE1 3.23Å; D296-W472 VanDerWaalsContact OD2-CE2 3.29Å; D296-W472 WeakPolarHBondContact OD2-CZ2 3.23Å; D296-W472 PolarHBondContact OD2-NE1 3.46Å; R359-W472 VanDerWaalsContact CD-CZ2 3.46Å; R359-W472 HydrophobicContact CG-CZ2 4.4Å; R359-W472 VanDerWaalsContact CZ-CH2 3.47Å; R359-W472 VanDerWaalsContact NE-CZ2 3.26Å; W472-S474 PolarHBondContact O-N 3.46Å; W472-F475 HydrophobicContact CE3-CD1 4.49Å; W472-F475 HydrophobicContact CZ3-CD1 4.08Å; W472-F475 PolarHBondContact O-N 3.46Å; W472-D476 WeakPolarHBondContact O-CB 3.18Å; W472-D476 PolarHBondContact O-N 3.24Å |
| 473 | R | 49.5 | Very low | 56.3 | Low | 164 Ų | 164 | 86.2 Ų | 86.2 | 62% | 0.619 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.6 | -28.6 | 173.6 | -73.3 | -180 | 174.5 | 169.7 | -3 | 111.4 | N469 K477 | N469-R473 WeakPolarHBondContact O-CB 2.99Å; N469-R473 WeakPolarHBondContact O-CD 3.35Å; N469-R473 WeakPolarHBondContact O-CG 3.22Å; N469-R473 PolarHBondContact O-N 2.94Å; R473-K477 WeakPolarHBondContact O-CA 3.48Å; R473-K477 WeakPolarHBondContact O-CB 3.25Å; R473-K477 PolarHBondContact O-N 3.12Å |
| 474 | S | 55.2 | Low | 58.4 | Low | 64 Ų | 64 | 82 Ų | 82 | 45% | 0.448 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -72.5 | -42 | 176.2 | -63.9 | 0 | 0 | 0 | 0 | 111.5 | I470 G471 W472 C478 | I470-S474 WeakPolarHBondContact O-CB 3.48Å; I470-S474 PolarHBondContact O-N 3.09Å; I470-S474 PolarHBondContact O-OG 3.26Å; G471-S474 WeakPolarHBondContact O-CB 3.39Å; G471-S474 PolarHBondContact O-N 2.91Å; G471-S474 VanDerWaalsContact O-N 3.08Å; W472-S474 PolarHBondContact O-N 3.46Å; S474-C478 WeakPolarHBondContact O-CB 3.26Å; S474-C478 PolarHBondContact O-N 3.43Å |
| 475 | F | 63.1 | Low | 60.7 | Low | 89 Ų | 89 | 76.8 Ų | 76.8 | 39% | 0.39 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67 | -45.6 | 174.3 | -174.5 | -97.3 | 0 | 0 | 0 | 111.8 | G471 W472 K477 C478 N479 I791 | G471-F475 PolarHBondContact O-N 3.43Å; W472-F475 HydrophobicContact CE3-CD1 4.49Å; W472-F475 HydrophobicContact CZ3-CD1 4.08Å; W472-F475 PolarHBondContact O-N 3.46Å; F475-K477 VanDerWaalsContact C-N 3.33Å; F475-K477 PolarHBondContact O-N 3.41Å; F475-C478 CarbonylContact O-C 3.58Å; F475-C478 WeakPolarHBondContact O-CB 3.39Å; F475-C478 PolarHBondContact O-N 3.35Å; F475-N479 WeakPolarHBondContact O-CB 3.48Å; F475-N479 PolarHBondContact O-N 2.91Å; F475-I791 HydrophobicContact CE1-CG2 4.34Å; F475-I791 HydrophobicContact CE2-CG2 4.08Å; F475-I791 HydrophobicContact CZ-CD1 4.42Å; F475-I791 HydrophobicContact CZ-CG2 3.51Å |
| 476 | D | 66.1 | Low | 62.7 | Low | 64 Ų | 64 | 74 Ų | 74 | 34% | 0.342 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.8 | -40 | 175.7 | -88.3 | -30.8 | 0 | 0 | 0 | 112 | W472 N479 E480 R787 | W472-D476 WeakPolarHBondContact O-CB 3.18Å; W472-D476 PolarHBondContact O-N 3.24Å; D476-N479 PolarHBondContact O-N 3.34Å; D476-E480 VanDerWaalsContact O-CB 3.27Å; D476-E480 WeakPolarHBondContact O-CB 3.47Å; D476-E480 PolarHBondContact O-N 2.83Å; D476-R787 IonicContact OD1-NH2 3.71Å |
| 477 | K | 71.4 | Confident | 64.8 | Low | 138 Ų | 138 | 69.6 Ų | 69.6 | 60% | 0.6 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -68.2 | -37.3 | 174.7 | -173.3 | 176.5 | -175.5 | -177.9 | 0 | 111.3 | R473 F475 E480 I481 | R473-K477 WeakPolarHBondContact O-CA 3.48Å; R473-K477 WeakPolarHBondContact O-CB 3.25Å; R473-K477 PolarHBondContact O-N 3.12Å; F475-K477 VanDerWaalsContact C-N 3.33Å; F475-K477 PolarHBondContact O-N 3.41Å; K477-E480 PolarHBondContact O-N 3.18Å; K477-I481 HydrophobicContact CG-CD1 3.91Å; K477-I481 HydrophobicContact CG-CG1 4.48Å; K477-I481 WeakPolarHBondContact O-CB 3.27Å; K477-I481 WeakPolarHBondContact O-CD1 3.44Å; K477-I481 WeakPolarHBondContact O-CG1 3.39Å; K477-I481 PolarHBondContact O-N 3.25Å |
| 478 | C | 75.3 | Confident | 67 | Low | 72 Ų | 72 | 68 Ų | 68 | 49% | 0.486 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 172.9 | -173.4 | 0 | 0 | 0 | 0 | 110.9 | S474 F475 E480 I481 F482 | S474-C478 WeakPolarHBondContact O-CB 3.26Å; S474-C478 PolarHBondContact O-N 3.43Å; F475-C478 CarbonylContact O-C 3.58Å; F475-C478 WeakPolarHBondContact O-CB 3.39Å; F475-C478 PolarHBondContact O-N 3.35Å; C478-E480 VanDerWaalsContact C-N 3.33Å; C478-E480 PolarHBondContact O-N 3.19Å; C478-I481 PolarHBondContact O-N 3.32Å; C478-F482 WeakPolarHBondContact O-CB 3.35Å; C478-F482 PolarHBondContact O-N 2.95Å |
| 479 | N | 76.3 | Confident | 69.1 | Low | 14 Ų | 14 | 69.7 Ų | 69.7 | 8% | 0.075 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 173.2 | -166.4 | 15.8 | 0 | 0 | 0 | 111.5 | F475 D476 F482 S483 R787 I791 | F475-N479 WeakPolarHBondContact O-CB 3.48Å; F475-N479 PolarHBondContact O-N 2.91Å; D476-N479 PolarHBondContact O-N 3.34Å; N479-F482 PolarHBondContact O-N 3.49Å; N479-S483 WeakPolarHBondContact O-CB 3.3Å; N479-S483 PolarHBondContact O-N 2.71Å; N479-S483 PolarHBondContact O-OG 2.88Å; N479-R787 PolarHBondContact ND2-O 3.1Å; N479-I791 HydrophobicContact CB-CD1 3.54Å; N479-I791 HydrophobicContact CB-CG1 4.3Å; N479-I791 WeakPolarHBondContact OD1-CG1 3.4Å |
| 480 | E | 77.2 | Confident | 71.3 | Confident | 99 Ų | 99 | 66.2 Ų | 66.2 | 46% | 0.463 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.8 | -47.3 | 177.4 | -167.4 | 170.2 | 148.9 | 0 | 0 | 111.6 | D476 K477 C478 S483 T484 R787 | D476-E480 VanDerWaalsContact O-CB 3.27Å; D476-E480 WeakPolarHBondContact O-CB 3.47Å; D476-E480 PolarHBondContact O-N 2.83Å; K477-E480 PolarHBondContact O-N 3.18Å; C478-E480 VanDerWaalsContact C-N 3.33Å; C478-E480 PolarHBondContact O-N 3.19Å; E480-S483 WeakPolarHBondContact CA-OG 3.16Å; E480-S483 PolarHBondContact O-OG 3.17Å; E480-S483 VanDerWaalsContact O-OG 3.1Å; E480-T484 HydrophobicContact CG-CG2 4.44Å; E480-T484 VanDerWaalsContact O-CB 3.26Å; E480-T484 WeakPolarHBondContact O-CB 3.47Å; E480-T484 WeakPolarHBondContact O-CG2 3.43Å; E480-T484 PolarHBondContact O-N 2.94Å; E480-T484 PolarHBondContact O-OG1 3.3Å; E480-R787 IonicContact OE2-NH1 3.47Å; E480-R787 PolarHBondContact OE2-NH1 2.79Å |
| 481 | I | 81.7 | Confident | 73 | Confident | 95 Ų | 95 | 63.4 Ų | 63.4 | 49% | 0.487 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.2 | -45.4 | 177.3 | -68.7 | 164.7 | 0 | 0 | 0 | 110.7 | K477 C478 T484 S485 | K477-I481 HydrophobicContact CG-CD1 3.91Å; K477-I481 HydrophobicContact CG-CG1 4.48Å; K477-I481 WeakPolarHBondContact O-CB 3.27Å; K477-I481 WeakPolarHBondContact O-CD1 3.44Å; K477-I481 WeakPolarHBondContact O-CG1 3.39Å; K477-I481 PolarHBondContact O-N 3.25Å; C478-I481 PolarHBondContact O-N 3.32Å; I481-T484 WeakPolarHBondContact CA-OG1 3.42Å; I481-T484 PolarHBondContact O-OG1 3.34Å; I481-T484 VanDerWaalsContact O-OG1 3.11Å; I481-S485 WeakPolarHBondContact O-CB 3.24Å; I481-S485 PolarHBondContact O-N 3.34Å; I481-S485 PolarHBondContact O-OG 2.94Å |
| 482 | F | 83.9 | Confident | 75.1 | Confident | 73 Ų | 73 | 63.6 Ų | 63.6 | 32% | 0.32 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.7 | -51.6 | 179.8 | 177.3 | -101.9 | 0 | 0 | 0 | 111.2 | C478 N479 T484 S485 L486 I791 V794 | C478-F482 WeakPolarHBondContact O-CB 3.35Å; C478-F482 PolarHBondContact O-N 2.95Å; N479-F482 PolarHBondContact O-N 3.49Å; F482-T484 PolarHBondContact O-N 2.9Å; F482-S485 PolarHBondContact O-N 2.87Å; F482-L486 HydrophobicContact CE1-CD2 3.99Å; F482-L486 HydrophobicContact CZ-CD2 3.9Å; F482-L486 VanDerWaalsContact O-CB 3.24Å; F482-L486 WeakPolarHBondContact O-CB 3.48Å; F482-L486 PolarHBondContact O-N 3.22Å; F482-I791 HydrophobicContact CD1-CG1 3.82Å; F482-I791 HydrophobicContact CE1-CG1 4.37Å; F482-I791 HydrophobicContact CG-CG1 4.44Å; F482-V794 HydrophobicContact CE1-CG2 4.42Å; F482-V794 HydrophobicContact CZ-CG2 4.06Å |
| 483 | S | 80.4 | Confident | 76.7 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.014 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.6 | -41.9 | -179.9 | 57.9 | 0 | 0 | 0 | 0 | 112.4 | N479 E480 A487 | N479-S483 WeakPolarHBondContact O-CB 3.3Å; N479-S483 PolarHBondContact O-N 2.71Å; N479-S483 PolarHBondContact O-OG 2.88Å; E480-S483 WeakPolarHBondContact CA-OG 3.16Å; E480-S483 PolarHBondContact O-OG 3.17Å; E480-S483 VanDerWaalsContact O-OG 3.1Å; S483-A487 WeakPolarHBondContact O-CB 3.5Å; S483-A487 PolarHBondContact O-N 2.72Å |
| 484 | T | 81.3 | Confident | 78.5 | Confident | 63 Ų | 63 | 65.2 Ų | 65.2 | 39% | 0.387 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.7 | -40.4 | 177.3 | 52.9 | 0 | 0 | 0 | 0 | 111.9 | E480 I481 F482 A488 A783 | E480-T484 HydrophobicContact CG-CG2 4.44Å; E480-T484 VanDerWaalsContact O-CB 3.26Å; E480-T484 WeakPolarHBondContact O-CB 3.47Å; E480-T484 WeakPolarHBondContact O-CG2 3.43Å; E480-T484 PolarHBondContact O-N 2.94Å; E480-T484 PolarHBondContact O-OG1 3.3Å; I481-T484 WeakPolarHBondContact CA-OG1 3.42Å; I481-T484 PolarHBondContact O-OG1 3.34Å; I481-T484 VanDerWaalsContact O-OG1 3.11Å; F482-T484 PolarHBondContact O-N 2.9Å; T484-A488 WeakPolarHBondContact O-CB 3.3Å; T484-A488 PolarHBondContact O-N 3.38Å; T484-A783 HydrophobicContact CG2-CB 4.39Å |
| 485 | S | 84.5 | Confident | 80 | Confident | 63 Ų | 63 | 62.9 Ų | 62.9 | 44% | 0.441 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.3 | -47.3 | 176.9 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | I481 F482 A488 V489 | I481-S485 WeakPolarHBondContact O-CB 3.24Å; I481-S485 PolarHBondContact O-N 3.34Å; I481-S485 PolarHBondContact O-OG 2.94Å; F482-S485 PolarHBondContact O-N 2.87Å; S485-A488 PolarHBondContact O-N 3.47Å; S485-V489 VanDerWaalsContact O-CG2 3.3Å; S485-V489 WeakPolarHBondContact O-CG2 3.44Å; S485-V489 PolarHBondContact O-N 2.86Å |
| 486 | L | 84.9 | Confident | 81.1 | Confident | 31 Ų | 31 | 60.3 Ų | 60.3 | 16% | 0.162 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.5 | -42 | 179.4 | -170.6 | 62.7 | 0 | 0 | 0 | 111.1 | F482 V489 V490 Y786 L834 | F482-L486 HydrophobicContact CE1-CD2 3.99Å; F482-L486 HydrophobicContact CZ-CD2 3.9Å; F482-L486 VanDerWaalsContact O-CB 3.24Å; F482-L486 WeakPolarHBondContact O-CB 3.48Å; F482-L486 PolarHBondContact O-N 3.22Å; L486-V489 PolarHBondContact O-N 3.24Å; L486-V490 HydrophobicContact CD1-CG2 3.9Å; L486-V490 HydrophobicContact CG-CG2 4.3Å; L486-V490 WeakPolarHBondContact O-CB 3.41Å; L486-V490 WeakPolarHBondContact O-CG2 3.46Å; L486-V490 PolarHBondContact O-N 3.25Å; L486-Y786 HydrophobicContact CB-CD1 4.46Å; L486-Y786 HydrophobicContact CB-CE1 4.47Å; L486-Y786 HydrophobicContact CD2-CD1 3.6Å; L486-Y786 HydrophobicContact CD2-CE1 3.4Å; L486-Y786 VanDerWaalsContact CD2-CE1 3.4Å; L486-Y786 HydrophobicContact CG-CD1 4.04Å; L486-Y786 HydrophobicContact CG-CE1 3.65Å; L486-L834 HydrophobicContact CD2-CB 4.45Å |
| 487 | A | 81.1 | Confident | 82.2 | Confident | 7 Ų | 7 | 61.4 Ų | 61.4 | 6% | 0.058 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | S483 V489 C491 A783 Y786 | S483-A487 WeakPolarHBondContact O-CB 3.5Å; S483-A487 PolarHBondContact O-N 2.72Å; A487-V489 VanDerWaalsContact C-N 3.34Å; A487-V489 PolarHBondContact O-N 3.43Å; A487-C491 WeakPolarHBondContact O-CA 3.29Å; A487-C491 WeakPolarHBondContact O-CB 3.29Å; A487-C491 PolarHBondContact O-N 3.25Å; A487-C491 PolarHBondContact O-SG 2.99Å; A487-A783 HydrophobicContact CB-CB 4.25Å; A487-Y786 HydrophobicContact CB-CD2 3.54Å; A487-Y786 HydrophobicContact CB-CE2 4Å; A487-Y786 HydrophobicContact CB-CG 4.41Å |
| 488 | A | 83.1 | Confident | 83.2 | Confident | 69 Ų | 69 | 59 Ų | 59 | 57% | 0.57 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63.4 | -40.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T484 S485 S492 | T484-A488 WeakPolarHBondContact O-CB 3.3Å; T484-A488 PolarHBondContact O-N 3.38Å; S485-A488 PolarHBondContact O-N 3.47Å; A488-S492 WeakPolarHBondContact O-CB 3.42Å |
| 489 | V | 85.9 | Confident | 84 | Confident | 92 Ų | 92 | 56.1 Ų | 56.1 | 56% | 0.558 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -67 | -63.5 | 176.4 | 173.6 | 0 | 0 | 0 | 0 | 109.5 | S485 L486 A487 C491 S492 S495 | S485-V489 VanDerWaalsContact O-CG2 3.3Å; S485-V489 WeakPolarHBondContact O-CG2 3.44Å; S485-V489 PolarHBondContact O-N 2.86Å; L486-V489 PolarHBondContact O-N 3.24Å; A487-V489 VanDerWaalsContact C-N 3.34Å; A487-V489 PolarHBondContact O-N 3.43Å; V489-C491 PolarHBondContact O-N 2.99Å; V489-S492 PolarHBondContact O-N 3.37Å; V489-S492 PolarHBondContact O-OG 3.26Å; V489-S495 WeakPolarHBondContact O-CB 3.49Å; V489-S495 PolarHBondContact O-OG 3.23Å |
| 490 | V | 84.8 | Confident | 84.6 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.024 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.1 | -32.7 | -169.3 | 177 | 0 | 0 | 0 | 0 | 113.4 | L486 S495 K496 I499 Y786 P838 A839 | L486-V490 HydrophobicContact CD1-CG2 3.9Å; L486-V490 HydrophobicContact CG-CG2 4.3Å; L486-V490 WeakPolarHBondContact O-CB 3.41Å; L486-V490 WeakPolarHBondContact O-CG2 3.46Å; L486-V490 PolarHBondContact O-N 3.25Å; V490-S495 PolarHBondContact O-OG 3.45Å; V490-K496 WeakPolarHBondContact O-CG 3.14Å; V490-I499 HydrophobicContact CB-CD1 4.41Å; V490-I499 HydrophobicContact CG1-CD1 4.03Å; V490-I499 HydrophobicContact CG2-CD1 4.43Å; V490-Y786 WeakPolarHBondContact CB-OH 3.38Å; V490-Y786 VanDerWaalsContact CG1-OH 3.25Å; V490-Y786 WeakPolarHBondContact CG1-OH 3.12Å; V490-P838 HydrophobicContact CG1-CB 4.12Å; V490-A839 HydrophobicContact CG1-CB 4.19Å |
| 491 | C | 78 | Confident | 85.3 | Confident | 26 Ų | 26 | 58.3 Ų | 58.3 | 18% | 0.176 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -4.6 | -178.4 | -57.7 | 0 | 0 | 0 | 0 | 113.6 | A487 V489 K496 N782 | A487-C491 WeakPolarHBondContact O-CA 3.29Å; A487-C491 WeakPolarHBondContact O-CB 3.29Å; A487-C491 PolarHBondContact O-N 3.25Å; A487-C491 PolarHBondContact O-SG 2.99Å; V489-C491 PolarHBondContact O-N 2.99Å; C491-K496 VanDerWaalsContact O-CE 3.22Å; C491-K496 WeakPolarHBondContact O-CE 3.38Å; C491-N782 PolarHBondContact SG-ND2 2.98Å; C491-N782 VanDerWaalsContact SG-ND2 3.4Å |
| 492 | S | 83.3 | Confident | 85.9 | Confident | 40 Ų | 40 | 58 Ų | 58 | 28% | 0.28 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -68.5 | 137.5 | 176.5 | 69.4 | 0 | 0 | 0 | 0 | 110.9 | A488 V489 F494 S495 K496 | A488-S492 WeakPolarHBondContact O-CB 3.42Å; V489-S492 PolarHBondContact O-N 3.37Å; V489-S492 PolarHBondContact O-OG 3.26Å; S492-F494 VanDerWaalsContact C-N 3.27Å; S492-F494 PolarHBondContact O-N 3.49Å; S492-S495 PolarHBondContact O-N 2.96Å; S492-S495 VanDerWaalsContact O-N 3.13Å; S492-S495 PolarHBondContact O-OG 2.91Å; S492-S495 WeakPolarHBondContact OG-CB 3.45Å; S492-S495 PolarHBondContact OG-N 3.21Å; S492-S495 PolarHBondContact OG-OG 3.45Å; S492-K496 WeakPolarHBondContact O-CG 3.42Å; S492-K496 PolarHBondContact O-N 3.33Å |
| 493 | P | 83.2 | Confident | 86.3 | Confident | 108 Ų | 108 | 55.7 Ų | 55.7 | 70% | 0.701 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.5 | -36.2 | -173.9 | 22.5 | -33.4 | 0 | 0 | 0 | 113 | K496 V497 | P493-K496 PolarHBondContact O-N 2.98Å; P493-V497 PolarHBondContact O-N 2.76Å |
| 494 | F | 87.7 | Confident | 86.9 | Confident | 157 Ų | 157 | 60.8 Ų | 60.8 | 69% | 0.689 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -67.3 | -45.1 | 176.5 | -177.4 | -107.1 | 0 | 0 | 0 | 112.3 | S492 K496 V497 I498 | S492-F494 VanDerWaalsContact C-N 3.27Å; S492-F494 PolarHBondContact O-N 3.49Å; F494-K496 VanDerWaalsContact C-N 3.28Å; F494-K496 PolarHBondContact O-N 3.21Å; F494-V497 PolarHBondContact O-N 3.41Å; F494-I498 HydrophobicContact CD1-CD1 3.79Å; F494-I498 HydrophobicContact CE1-CD1 3.33Å; F494-I498 HydrophobicContact CE1-CG1 4.42Å; F494-I498 HydrophobicContact CZ-CD1 3.77Å; F494-I498 PolarHBondContact O-N 3.12Å |
| 495 | S | 87.8 | Confident | 87.6 | Confident | 14 Ų | 14 | 60.5 Ų | 60.5 | 10% | 0.098 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.8 | -36.6 | 176.4 | 73.4 | 0 | 0 | 0 | 0 | 112.4 | V489 V490 S492 V497 I498 I499 | V489-S495 WeakPolarHBondContact O-CB 3.49Å; V489-S495 PolarHBondContact O-OG 3.23Å; V490-S495 PolarHBondContact O-OG 3.45Å; S492-S495 PolarHBondContact O-N 2.96Å; S492-S495 VanDerWaalsContact O-N 3.13Å; S492-S495 PolarHBondContact O-OG 2.91Å; S492-S495 WeakPolarHBondContact OG-CB 3.45Å; S492-S495 PolarHBondContact OG-N 3.21Å; S492-S495 PolarHBondContact OG-OG 3.45Å; S495-V497 VanDerWaalsContact C-N 3.3Å; S495-V497 PolarHBondContact O-N 2.9Å; S495-I498 CarbonylContact O-C 3.59Å; S495-I498 WeakPolarHBondContact O-CB 3.23Å; S495-I498 PolarHBondContact O-N 3.1Å; S495-I498 VanDerWaalsContact O-N 3.11Å; S495-I499 WeakPolarHBondContact O-CB 3.49Å; S495-I499 VanDerWaalsContact O-CG1 3.25Å; S495-I499 WeakPolarHBondContact O-CG1 3.18Å; S495-I499 PolarHBondContact O-N 3.42Å |
| 496 | K | 85.6 | Confident | 88.1 | Confident | 36 Ų | 36 | 59.1 Ų | 59.1 | 16% | 0.157 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.1 | -43 | -179.4 | -70.6 | -175.8 | -169.7 | -168.9 | 0 | 110.9 | V490 C491 S492 P493 F494 I498 I499 I500 S842 T843 | V490-K496 WeakPolarHBondContact O-CG 3.14Å; C491-K496 VanDerWaalsContact O-CE 3.22Å; C491-K496 WeakPolarHBondContact O-CE 3.38Å; S492-K496 WeakPolarHBondContact O-CG 3.42Å; S492-K496 PolarHBondContact O-N 3.33Å; P493-K496 PolarHBondContact O-N 2.98Å; F494-K496 VanDerWaalsContact C-N 3.28Å; F494-K496 PolarHBondContact O-N 3.21Å; K496-I498 VanDerWaalsContact C-N 3.35Å; K496-I499 PolarHBondContact O-N 3.41Å; K496-I500 WeakPolarHBondContact O-CB 3.3Å; K496-I500 VanDerWaalsContact O-CG1 3.24Å; K496-I500 WeakPolarHBondContact O-CG1 3.22Å; K496-I500 PolarHBondContact O-N 3.45Å; K496-S842 WeakPolarHBondContact CE-OG 3.3Å; K496-S842 PolarHBondContact NZ-O 3.43Å; K496-S842 PolarHBondContact NZ-OG 3.47Å; K496-T843 HydrophobicContact CD-CG2 3.97Å |
| 497 | V | 89 | Confident | 88.4 | Confident | 87 Ų | 87 | 59.5 Ų | 59.5 | 53% | 0.527 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 175.9 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | P493 F494 S495 I499 I500 I501 | P493-V497 PolarHBondContact O-N 2.76Å; F494-V497 PolarHBondContact O-N 3.41Å; S495-V497 VanDerWaalsContact C-N 3.3Å; S495-V497 PolarHBondContact O-N 2.9Å; V497-I499 PolarHBondContact O-N 2.92Å; V497-I500 PolarHBondContact O-N 2.86Å; V497-I501 HydrophobicContact CG1-CD1 3.94Å; V497-I501 VanDerWaalsContact O-CG1 3.3Å; V497-I501 WeakPolarHBondContact O-CG1 3.25Å; V497-I501 PolarHBondContact O-N 3.33Å |
| 498 | I | 91.7 | Very high | 89 | Confident | 86 Ų | 86 | 62.2 Ų | 62.2 | 44% | 0.441 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 177 | -66 | 173.7 | 0 | 0 | 0 | 111.3 | F494 S495 K496 I500 I501 M502 | F494-I498 HydrophobicContact CD1-CD1 3.79Å; F494-I498 HydrophobicContact CE1-CD1 3.33Å; F494-I498 HydrophobicContact CE1-CG1 4.42Å; F494-I498 HydrophobicContact CZ-CD1 3.77Å; F494-I498 PolarHBondContact O-N 3.12Å; S495-I498 CarbonylContact O-C 3.59Å; S495-I498 WeakPolarHBondContact O-CB 3.23Å; S495-I498 PolarHBondContact O-N 3.1Å; S495-I498 VanDerWaalsContact O-N 3.11Å; K496-I498 VanDerWaalsContact C-N 3.35Å; I498-I500 VanDerWaalsContact C-N 3.34Å; I498-I500 PolarHBondContact O-N 3.46Å; I498-I501 PolarHBondContact O-N 3.27Å; I498-M502 WeakPolarHBondContact O-CB 2.98Å; I498-M502 PolarHBondContact O-N 3.3Å |
| 499 | I | 91.6 | Very high | 89.5 | Confident | 13 Ų | 13 | 64.1 Ų | 64.1 | 7% | 0.067 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.1 | -40.1 | -179.2 | -68.2 | 165 | 0 | 0 | 0 | 110.7 | V490 S495 K496 V497 M502 Y503 I835 F836 A839 | V490-I499 HydrophobicContact CB-CD1 4.41Å; V490-I499 HydrophobicContact CG1-CD1 4.03Å; V490-I499 HydrophobicContact CG2-CD1 4.43Å; S495-I499 WeakPolarHBondContact O-CB 3.49Å; S495-I499 VanDerWaalsContact O-CG1 3.25Å; S495-I499 WeakPolarHBondContact O-CG1 3.18Å; S495-I499 PolarHBondContact O-N 3.42Å; K496-I499 PolarHBondContact O-N 3.41Å; V497-I499 PolarHBondContact O-N 2.92Å; I499-M502 PolarHBondContact O-N 2.86Å; I499-Y503 WeakPolarHBondContact O-CB 3.4Å; I499-Y503 PolarHBondContact O-N 3.16Å; I499-I835 HydrophobicContact CD1-CG2 4.01Å; I499-I835 HydrophobicContact CG1-CG2 4.15Å; I499-I835 HydrophobicContact CG2-CG2 4.12Å; I499-F836 HydrophobicContact CG2-CD1 3.83Å; I499-F836 HydrophobicContact CG2-CE1 4.35Å; I499-A839 HydrophobicContact CB-CB 4.2Å; I499-A839 HydrophobicContact CD1-CB 4.14Å; I499-A839 HydrophobicContact CG2-CB 3.67Å |
| 500 | I | 89.6 | Confident | 89.8 | Confident | 53 Ų | 53 | 60.6 Ų | 60.6 | 27% | 0.272 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 175.9 | -69.5 | 165.6 | 0 | 0 | 0 | 110.8 | K496 V497 I498 M502 Y503 L504 L840 T843 | K496-I500 WeakPolarHBondContact O-CB 3.3Å; K496-I500 VanDerWaalsContact O-CG1 3.24Å; K496-I500 WeakPolarHBondContact O-CG1 3.22Å; K496-I500 PolarHBondContact O-N 3.45Å; V497-I500 PolarHBondContact O-N 2.86Å; I498-I500 VanDerWaalsContact C-N 3.34Å; I498-I500 PolarHBondContact O-N 3.46Å; I500-M502 VanDerWaalsContact C-N 3.32Å; I500-M502 PolarHBondContact O-N 2.87Å; I500-Y503 PolarHBondContact O-N 3.22Å; I500-L504 HydrophobicContact CG2-CD1 4.27Å; I500-L504 WeakPolarHBondContact O-CG 3.34Å; I500-L504 PolarHBondContact O-N 3.33Å; I500-L840 HydrophobicContact CG1-CD2 4.19Å; I500-T843 HydrophobicContact CD1-CG2 4.18Å |
| 501 | I | 93 | Very high | 90 | Very high | 106 Ų | 106 | 63.3 Ų | 63.3 | 54% | 0.544 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 175.9 | -67.7 | 166.7 | 0 | 0 | 0 | 110.3 | V497 I498 Y503 L504 A505 | V497-I501 HydrophobicContact CG1-CD1 3.94Å; V497-I501 VanDerWaalsContact O-CG1 3.3Å; V497-I501 WeakPolarHBondContact O-CG1 3.25Å; V497-I501 PolarHBondContact O-N 3.33Å; I498-I501 PolarHBondContact O-N 3.27Å; I501-Y503 VanDerWaalsContact C-N 3.33Å; I501-Y503 PolarHBondContact O-N 3.23Å; I501-L504 PolarHBondContact O-N 2.86Å; I501-A505 WeakPolarHBondContact O-CB 3.4Å; I501-A505 PolarHBondContact O-N 2.89Å |
| 502 | M | 93.5 | Very high | 90.6 | Very high | 89 Ų | 89 | 69.4 Ų | 69.4 | 44% | 0.438 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 177.2 | -175.8 | 176.9 | 72.2 | 0 | 0 | 111.9 | I498 I499 I500 A505 Y506 I835 F836 | I498-M502 WeakPolarHBondContact O-CB 2.98Å; I498-M502 PolarHBondContact O-N 3.3Å; I499-M502 PolarHBondContact O-N 2.86Å; I500-M502 VanDerWaalsContact C-N 3.32Å; I500-M502 PolarHBondContact O-N 2.87Å; M502-A505 PolarHBondContact O-N 2.91Å; M502-Y506 VanDerWaalsContact O-CB 3.25Å; M502-Y506 WeakPolarHBondContact O-CB 3.16Å; M502-Y506 PolarHBondContact O-N 3.14Å; M502-I835 HydrophobicContact CE-CG2 4.49Å; M502-F836 HydrophobicContact CE-CD1 4.43Å; M502-F836 HydrophobicContact CE-CE1 3.44Å; M502-F836 VanDerWaalsContact CE-CE1 3.44Å; M502-F836 HydrophobicContact CE-CZ 3.7Å; M502-F836 HydrophobicContact CG-CE1 4.46Å |
| 503 | Y | 93.1 | Very high | 90.7 | Very high | 23 Ų | 23 | 67.5 Ų | 67.5 | 9% | 0.09 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 176 | -177.8 | -100.7 | 0 | 0 | 0 | 112 | I499 I500 I501 A505 Y506 V507 S730 H832 F836 L840 | I499-Y503 WeakPolarHBondContact O-CB 3.4Å; I499-Y503 PolarHBondContact O-N 3.16Å; I500-Y503 PolarHBondContact O-N 3.22Å; I501-Y503 VanDerWaalsContact C-N 3.33Å; I501-Y503 PolarHBondContact O-N 3.23Å; Y503-A505 VanDerWaalsContact C-N 3.34Å; Y503-A505 PolarHBondContact O-N 3.06Å; Y503-Y506 WeakPolarHBondContact O-CB 3.42Å; Y503-Y506 PolarHBondContact O-N 2.62Å; Y503-V507 HydrophobicContact CD1-CG2 4.35Å; Y503-V507 HydrophobicContact CE1-CG2 3.96Å; Y503-V507 HydrophobicContact CE2-CG2 4.42Å; Y503-V507 WeakPolarHBondContact O-CG2 3.46Å; Y503-V507 PolarHBondContact O-N 2.92Å; Y503-S730 WeakPolarHBondContact CE2-OG 3.31Å; Y503-S730 WeakPolarHBondContact OH-CB 3.15Å; Y503-S730 PolarHBondContact OH-OG 3.09Å; Y503-H832 AromaticContact CE2-NE2 4Å; Y503-F836 HydrophobicContact CD2-CB 4.16Å; Y503-F836 AromaticContact CD2-CD1 3.66Å; Y503-F836 HydrophobicContact CD2-CD1 3.66Å; Y503-F836 HydrophobicContact CD2-CD2 4.34Å; Y503-F836 HydrophobicContact CD2-CE1 4.05Å; Y503-F836 AromaticContact CD2-CG 3.82Å; Y503-F836 HydrophobicContact CD2-CG 3.82Å; Y503-F836 HydrophobicContact CG-CD1 4.16Å; Y503-F836 HydrophobicContact CG-CE1 4.47Å; Y503-L840 HydrophobicContact CD1-CD1 4.47Å; Y503-L840 HydrophobicContact CE1-CD1 4.37Å; Y503-L840 HydrophobicContact CE2-CD1 4.48Å |
| 504 | L | 93 | Very high | 90.9 | Very high | 110 Ų | 110 | 65.9 Ų | 65.9 | 58% | 0.576 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.8 | -40 | 176.1 | -68.1 | 174.6 | 0 | 0 | 0 | 111.9 | I500 I501 V507 A508 | I500-L504 HydrophobicContact CG2-CD1 4.27Å; I500-L504 WeakPolarHBondContact O-CG 3.34Å; I500-L504 PolarHBondContact O-N 3.33Å; I501-L504 PolarHBondContact O-N 2.86Å; L504-V507 PolarHBondContact O-N 3.22Å; L504-A508 WeakPolarHBondContact O-CB 3.41Å; L504-A508 PolarHBondContact O-N 3.47Å |
| 505 | A | 94.9 | Very high | 90.8 | Very high | 57 Ų | 57 | 62.4 Ų | 62.4 | 47% | 0.471 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | I501 M502 Y503 A508 F509 | I501-A505 WeakPolarHBondContact O-CB 3.4Å; I501-A505 PolarHBondContact O-N 2.89Å; M502-A505 PolarHBondContact O-N 2.91Å; Y503-A505 VanDerWaalsContact C-N 3.34Å; Y503-A505 PolarHBondContact O-N 3.06Å; A505-A508 PolarHBondContact O-N 3.44Å; A505-F509 VanDerWaalsContact O-CB 3.22Å; A505-F509 WeakPolarHBondContact O-CB 3.38Å; A505-F509 PolarHBondContact O-N 2.92Å |
| 506 | Y | 94.6 | Very high | 90.8 | Very high | 33 Ų | 33 | 64.6 Ų | 64.6 | 13% | 0.129 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.3 | -51.1 | 173.5 | 164.7 | -80.4 | 0 | 0 | 0 | 111.1 | M502 Y503 A508 F509 F510 S730 G734 I828 H832 | M502-Y506 VanDerWaalsContact O-CB 3.25Å; M502-Y506 WeakPolarHBondContact O-CB 3.16Å; M502-Y506 PolarHBondContact O-N 3.14Å; Y503-Y506 WeakPolarHBondContact O-CB 3.42Å; Y503-Y506 PolarHBondContact O-N 2.62Å; Y506-A508 PolarHBondContact O-N 3.43Å; Y506-F509 PolarHBondContact O-N 2.92Å; Y506-F510 HydrophobicContact CD1-CD2 4.17Å; Y506-F510 AromaticContact CD2-CD2 3.59Å; Y506-F510 HydrophobicContact CD2-CD2 3.59Å; Y506-F510 AromaticContact CD2-CE2 3.3Å; Y506-F510 HydrophobicContact CD2-CE2 3.3Å; Y506-F510 HydrophobicContact CE1-CD2 4.03Å; Y506-F510 AromaticContact CE2-CD2 3.48Å; Y506-F510 HydrophobicContact CE2-CD2 3.48Å; Y506-F510 VanDerWaalsContact CE2-CD2 3.48Å; Y506-F510 AromaticContact CE2-CE2 3.23Å; Y506-F510 HydrophobicContact CE2-CE2 3.23Å; Y506-F510 HydrophobicContact CE2-CZ 4.41Å; Y506-F510 AromaticContact CG-CD2 3.92Å; Y506-F510 HydrophobicContact CG-CD2 3.92Å; Y506-F510 HydrophobicContact CG-CE2 4.05Å; Y506-F510 AromaticContact CZ-CD2 3.69Å; Y506-F510 AromaticContact CZ-CE2 3.94Å; Y506-F510 WeakPolarHBondContact O-CD2 3.29Å; Y506-F510 PolarHBondContact O-N 3.46Å; Y506-S730 WeakPolarHBondContact CE1-O 3.45Å; Y506-S730 VanDerWaalsContact CE1-OG 3.25Å; Y506-S730 WeakPolarHBondContact CE1-OG 3.39Å; Y506-S730 PolarHBondContact OH-O 3.12Å; Y506-G734 VanDerWaalsContact OH-CA 3.22Å; Y506-G734 WeakPolarHBondContact OH-CA 3.37Å; Y506-G734 PolarHBondContact OH-N 3.39Å; Y506-I828 HydrophobicContact CE2-CG2 4.39Å; Y506-I828 VanDerWaalsContact OH-CG2 3.3Å; Y506-I828 WeakPolarHBondContact OH-CG2 3.24Å; Y506-H832 AromaticContact CZ-CE1 3.76Å |
| 507 | V | 92.8 | Very high | 90.8 | Very high | 39 Ų | 39 | 64.5 Ų | 64.5 | 24% | 0.236 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63 | -46 | -179.8 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | Y503 L504 F509 F510 C511 | Y503-V507 HydrophobicContact CD1-CG2 4.35Å; Y503-V507 HydrophobicContact CE1-CG2 3.96Å; Y503-V507 HydrophobicContact CE2-CG2 4.42Å; Y503-V507 WeakPolarHBondContact O-CG2 3.46Å; Y503-V507 PolarHBondContact O-N 2.92Å; L504-V507 PolarHBondContact O-N 3.22Å; V507-F509 PolarHBondContact O-N 3.45Å; V507-F510 PolarHBondContact O-N 2.79Å; V507-C511 WeakPolarHBondContact O-CB 3.21Å; V507-C511 PolarHBondContact O-N 3.12Å; V507-C511 PolarHBondContact O-SG 3.09Å |
| 508 | A | 92.9 | Very high | 90.5 | Very high | 64 Ų | 64 | 64 Ų | 64 | 53% | 0.529 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | L504 A505 Y506 Y512 | L504-A508 WeakPolarHBondContact O-CB 3.41Å; L504-A508 PolarHBondContact O-N 3.47Å; A505-A508 PolarHBondContact O-N 3.44Å; Y506-A508 PolarHBondContact O-N 3.43Å; A508-Y512 PolarHBondContact O-N 3.36Å; A508-Y512 VanDerWaalsContact O-N 3.15Å |
| 509 | F | 92.9 | Very high | 90 | Very high | 110 Ų | 110 | 62.2 Ų | 62.2 | 48% | 0.482 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 179.3 | -178.2 | -104.8 | 0 | 0 | 0 | 112.1 | A505 Y506 V507 Y512 G513 F741 | A505-F509 VanDerWaalsContact O-CB 3.22Å; A505-F509 WeakPolarHBondContact O-CB 3.38Å; A505-F509 PolarHBondContact O-N 2.92Å; Y506-F509 PolarHBondContact O-N 2.92Å; V507-F509 PolarHBondContact O-N 3.45Å; F509-Y512 WeakPolarHBondContact O-CB 3.47Å; F509-Y512 PolarHBondContact O-N 2.76Å; F509-G513 PolarHBondContact O-N 3.39Å; F509-G513 VanDerWaalsContact O-N 3.09Å; F509-F741 AromaticContact CD1-CE2 3.98Å; F509-F741 HydrophobicContact CD1-CE2 3.98Å; F509-F741 AromaticContact CE1-CD2 3.93Å; F509-F741 HydrophobicContact CE1-CD2 3.93Å; F509-F741 AromaticContact CE1-CE2 3.25Å; F509-F741 HydrophobicContact CE1-CE2 3.25Å; F509-F741 HydrophobicContact CE1-CZ 4.03Å; F509-F741 HydrophobicContact CE2-CE2 4.31Å; F509-F741 HydrophobicContact CE2-CZ 4.31Å; F509-F741 HydrophobicContact CZ-CD2 4.1Å; F509-F741 AromaticContact CZ-CE2 3.44Å; F509-F741 HydrophobicContact CZ-CE2 3.44Å; F509-F741 VanDerWaalsContact CZ-CE2 3.44Å; F509-F741 AromaticContact CZ-CZ 3.84Å; F509-F741 HydrophobicContact CZ-CZ 3.84Å |
| 510 | F | 92.9 | Very high | 89.1 | Confident | 17 Ų | 17 | 61.7 Ų | 61.7 | 8% | 0.075 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -79.7 | -26.2 | -179.6 | -68.2 | -53.9 | 0 | 0 | 0 | 113.9 | Y506 V507 Y512 G513 L514 I738 F741 | Y506-F510 HydrophobicContact CD1-CD2 4.17Å; Y506-F510 AromaticContact CD2-CD2 3.59Å; Y506-F510 HydrophobicContact CD2-CD2 3.59Å; Y506-F510 AromaticContact CD2-CE2 3.3Å; Y506-F510 HydrophobicContact CD2-CE2 3.3Å; Y506-F510 HydrophobicContact CE1-CD2 4.03Å; Y506-F510 AromaticContact CE2-CD2 3.48Å; Y506-F510 HydrophobicContact CE2-CD2 3.48Å; Y506-F510 VanDerWaalsContact CE2-CD2 3.48Å; Y506-F510 AromaticContact CE2-CE2 3.23Å; Y506-F510 HydrophobicContact CE2-CE2 3.23Å; Y506-F510 HydrophobicContact CE2-CZ 4.41Å; Y506-F510 AromaticContact CG-CD2 3.92Å; Y506-F510 HydrophobicContact CG-CD2 3.92Å; Y506-F510 HydrophobicContact CG-CE2 4.05Å; Y506-F510 AromaticContact CZ-CD2 3.69Å; Y506-F510 AromaticContact CZ-CE2 3.94Å; Y506-F510 WeakPolarHBondContact O-CD2 3.29Å; Y506-F510 PolarHBondContact O-N 3.46Å; V507-F510 PolarHBondContact O-N 2.79Å; F510-Y512 VanDerWaalsContact C-N 3.27Å; F510-Y512 PolarHBondContact O-N 3.49Å; F510-G513 PolarHBondContact O-N 3.15Å; F510-G513 VanDerWaalsContact O-N 3.17Å; F510-L514 PolarHBondContact O-N 3.46Å; F510-I738 HydrophobicContact CD1-CG1 4.24Å; F510-I738 HydrophobicContact CE1-CB 4.42Å; F510-I738 HydrophobicContact CE1-CD1 4.02Å; F510-I738 HydrophobicContact CE1-CG1 3.24Å; F510-I738 HydrophobicContact CZ-CD1 3.71Å; F510-I738 HydrophobicContact CZ-CG1 3.47Å; F510-I738 VanDerWaalsContact CZ-CG1 3.47Å; F510-F741 HydrophobicContact CD1-CE2 4.13Å; F510-F741 HydrophobicContact CE1-CD2 4.36Å; F510-F741 HydrophobicContact CE1-CE2 4.07Å |
| 511 | C | 89.8 | Confident | 88.2 | Confident | 62 Ų | 62 | 59.3 Ų | 59.3 | 42% | 0.419 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.4 | -36.9 | 164 | -74.1 | 0 | 0 | 0 | 0 | 112 | V507 L514 | V507-C511 WeakPolarHBondContact O-CB 3.21Å; V507-C511 PolarHBondContact O-N 3.12Å; V507-C511 PolarHBondContact O-SG 3.09Å; C511-L514 WeakPolarHBondContact O-CB 3.44Å; C511-L514 PolarHBondContact O-N 3.14Å |
| 512 | Y | 89.6 | Confident | 87.2 | Confident | 154 Ų | 154 | 56 Ų | 56 | 60% | 0.604 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -67.1 | -39.1 | 172.2 | 177.1 | -99 | 0 | 0 | 0 | 112 | A508 F509 F510 L514 A515 F741 | A508-Y512 PolarHBondContact O-N 3.36Å; A508-Y512 VanDerWaalsContact O-N 3.15Å; F509-Y512 WeakPolarHBondContact O-CB 3.47Å; F509-Y512 PolarHBondContact O-N 2.76Å; F510-Y512 VanDerWaalsContact C-N 3.27Å; F510-Y512 PolarHBondContact O-N 3.49Å; Y512-L514 PolarHBondContact O-N 3.4Å; Y512-A515 WeakPolarHBondContact O-CB 3.43Å; Y512-A515 PolarHBondContact O-N 2.61Å; Y512-F741 HydrophobicContact CD1-CE1 4.47Å; Y512-F741 HydrophobicContact CD1-CZ 4.34Å |
| 513 | G | 86.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.5 | -25.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | F509 F510 A515 T516 S740 F741 | F509-G513 PolarHBondContact O-N 3.39Å; F509-G513 VanDerWaalsContact O-N 3.09Å; F510-G513 PolarHBondContact O-N 3.15Å; F510-G513 VanDerWaalsContact O-N 3.17Å; G513-A515 PolarHBondContact O-N 3.47Å; G513-T516 PolarHBondContact O-N 3.07Å; G513-T516 PolarHBondContact O-OG1 2.89Å; G513-S740 WeakPolarHBondContact O-CB 3.2Å; G513-S740 PolarHBondContact O-OG 3.19Å; G513-F741 VanDerWaalsContact CA-CZ 3.43Å |
| 514 | L | 87.1 | Confident | 85.9 | Confident | 73 Ų | 73 | 53.7 Ų | 53.7 | 38% | 0.382 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -63.2 | -29.5 | 172.3 | -66.4 | -179.4 | 0 | 0 | 0 | 112.7 | F510 C511 Y512 T516 V517 L733 I736 | F510-L514 PolarHBondContact O-N 3.46Å; C511-L514 WeakPolarHBondContact O-CB 3.44Å; C511-L514 PolarHBondContact O-N 3.14Å; Y512-L514 PolarHBondContact O-N 3.4Å; L514-T516 VanDerWaalsContact C-N 3.28Å; L514-T516 PolarHBondContact O-N 3.13Å; L514-V517 WeakPolarHBondContact O-CB 3.45Å; L514-V517 WeakPolarHBondContact O-CG2 3.11Å; L514-L733 HydrophobicContact CD1-CD2 3.65Å; L514-L733 HydrophobicContact CD2-CD2 4.44Å; L514-L733 HydrophobicContact CG-CD2 4.33Å; L514-I736 HydrophobicContact CD2-CB 4.26Å; L514-I736 HydrophobicContact CD2-CG2 3.61Å |
| 515 | A | 86.5 | Confident | 85.3 | Confident | 85 Ų | 85 | 50.2 Ų | 50.2 | 70% | 0.702 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -75.1 | -17.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y512 G513 | Y512-A515 WeakPolarHBondContact O-CB 3.43Å; Y512-A515 PolarHBondContact O-N 2.61Å; G513-A515 PolarHBondContact O-N 3.47Å |
| 516 | T | 87.4 | Confident | 84.6 | Confident | 59 Ų | 59 | 47.7 Ų | 47.7 | 36% | 0.362 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -98.5 | 2.9 | 179.3 | 60.7 | 0 | 0 | 0 | 0 | 113.3 | G513 L514 V518 S740 | G513-T516 PolarHBondContact O-N 3.07Å; G513-T516 PolarHBondContact O-OG1 2.89Å; L514-T516 VanDerWaalsContact C-N 3.28Å; L514-T516 PolarHBondContact O-N 3.13Å; T516-V518 PolarHBondContact O-N 3.29Å; T516-S740 PolarHBondContact O-OG 3.48Å; T516-S740 PolarHBondContact OG1-OG 3.25Å |
| 517 | V | 84.4 | Confident | 84.2 | Confident | 35 Ų | 35 | 46.2 Ų | 46.2 | 21% | 0.212 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 125.8 | -178.7 | 166.7 | 0 | 0 | 0 | 0 | 110.1 | L514 V519 I736 S740 I746 | L514-V517 WeakPolarHBondContact O-CB 3.45Å; L514-V517 WeakPolarHBondContact O-CG2 3.11Å; V517-V519 HydrophobicContact CG1-CG2 4.08Å; V517-I736 HydrophobicContact CG2-CG2 4.12Å; V517-S740 WeakPolarHBondContact CA-OG 3.33Å; V517-S740 PolarHBondContact N-OG 3.29Å; V517-I746 HydrophobicContact CB-CD1 4.45Å; V517-I746 HydrophobicContact CG1-CB 4.44Å; V517-I746 HydrophobicContact CG1-CD1 3.29Å; V517-I746 HydrophobicContact CG1-CG1 3.74Å; V517-I746 HydrophobicContact CG2-CD1 4.29Å |
| 518 | V | 84.2 | Confident | 83.8 | Confident | 75 Ų | 75 | 45 Ų | 45 | 46% | 0.455 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -99.2 | 122.1 | 170.9 | -172.2 | 0 | 0 | 0 | 0 | 108.4 | T516 H745 I746 | T516-V518 PolarHBondContact O-N 3.29Å; V518-H745 VanDerWaalsContact CG1-CE1 3.42Å; V518-H745 WeakPolarHBondContact CG1-CE1 3.34Å; V518-H745 WeakPolarHBondContact CG1-ND1 3.21Å; V518-H745 WeakPolarHBondContact O-CA 3.46Å; V518-I746 PolarHBondContact O-N 3.08Å |
| 519 | V | 81 | Confident | 83.3 | Confident | 49 Ų | 49 | 49.1 Ų | 49.1 | 30% | 0.297 | 26% | 0.257 | S | S | . | . | B | Isolated β-bridge | trans | -96.4 | 139.3 | 178.2 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | V517 D689 L693 | V517-V519 HydrophobicContact CG1-CG2 4.08Å; V519-D689 VanDerWaalsContact CG1-O 3.27Å; V519-D689 WeakPolarHBondContact CG1-O 3.42Å; V519-L693 HydrophobicContact CG1-CB 4.15Å; V519-L693 HydrophobicContact CG2-CB 4.34Å; V519-L693 HydrophobicContact CG2-CD1 4.28Å; V519-L693 HydrophobicContact CG2-CD2 4.26Å |
| 520 | G | 72.1 | Confident | 82.9 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | trans | 132 | 150.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | N522 D689 H745 I746 | G520-N522 PolarHBondContact O-N 3.4Å; G520-D689 VanDerWaalsContact CA-CG 3.41Å; G520-D689 WeakPolarHBondContact CA-OD1 3.44Å; G520-H745 WeakPolarHBondContact O-CB 3.44Å; G520-I746 PolarHBondContact N-O 3.4Å | ||
| 521 | L | 69.9 | Low | 82.7 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | trans | -89.6 | 107.1 | -176.2 | 175.7 | 68.8 | 0 | 0 | 0 | 111 | V523 L526 R655 D689 D747 | L521-V523 PolarHBondContact O-N 3.03Å; L521-V523 VanDerWaalsContact O-N 3.11Å; L521-L526 HydrophobicContact CD1-CD2 3.92Å; L521-L526 HydrophobicContact CD1-CG 4.22Å; L521-L526 HydrophobicContact CD2-CD1 4.11Å; L521-L526 HydrophobicContact CD2-CD2 4.38Å; L521-L526 HydrophobicContact CD2-CG 4.33Å; L521-R655 PolarHBondContact O-NH2 3.34Å; L521-D689 PolarHBondContact N-OD1 3.21Å; L521-D747 HydrophobicContact CB-CB 3.99Å; L521-D747 HydrophobicContact CD1-CB 3.75Å; L521-D747 WeakPolarHBondContact CD1-OD2 3.18Å; L521-D747 HydrophobicContact CG-CB 4.49Å | ||
| 522 | N | 73.6 | Confident | 82.8 | Confident | 37 Ų | 37 | 52.4 Ų | 52.4 | 20% | 0.198 | 26% | 0.258 | C | S | . | . | trans | -68.9 | 110.5 | 162.9 | -72.9 | -24.5 | 0 | 0 | 0 | 109.9 | G520 E524 H525 R655 | G520-N522 PolarHBondContact O-N 3.4Å; N522-E524 PolarHBondContact O-N 2.98Å; N522-H525 HydrophobicContact CB-CB 4.37Å; N522-H525 PolarHBondContact ND2-CE1 3.1Å; N522-H525 VanDerWaalsContact ND2-CE1 3.33Å; N522-H525 PolarHBondContact ND2-NE2 2.73Å; N522-H525 WeakPolarHBondContact O-CA 3.3Å; N522-H525 WeakPolarHBondContact O-CB 3.46Å; N522-H525 PolarHBondContact O-N 2.97Å; N522-R655 PolarHBondContact OD1-NE 3.28Å | ||
| 523 | V | 77.3 | Confident | 82.8 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 5% | 0.048 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -52.5 | -30.7 | 179 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | F94 F264 L521 H525 L526 L537 L685 | F94-V523 HydrophobicContact CE1-CG1 4.37Å; F94-V523 HydrophobicContact CE2-CG1 4.1Å; F94-V523 HydrophobicContact CZ-CG1 4.02Å; F94-V523 HydrophobicContact CZ-CG2 4.01Å; F264-V523 HydrophobicContact CE1-CG1 4.45Å; F264-V523 HydrophobicContact CE2-CG1 3.52Å; F264-V523 HydrophobicContact CZ-CG1 3.37Å; L521-V523 PolarHBondContact O-N 3.03Å; L521-V523 VanDerWaalsContact O-N 3.11Å; V523-H525 PolarHBondContact O-N 2.89Å; V523-L526 PolarHBondContact O-N 3.24Å; V523-L537 HydrophobicContact CG1-CD1 4.28Å; V523-L685 HydrophobicContact CG2-CD1 4.22Å; V523-L685 HydrophobicContact CG2-CD2 3.75Å |
| 524 | E | 80.2 | Confident | 82.9 | Confident | 54 Ų | 54 | 45.8 Ų | 45.8 | 25% | 0.252 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -61.7 | -27.4 | 173.3 | -64.5 | 174.2 | -157.8 | 0 | 0 | 113.7 | N522 L526 L527 A534 L537 K538 | N522-E524 PolarHBondContact O-N 2.98Å; E524-L526 VanDerWaalsContact C-N 3.31Å; E524-L527 WeakPolarHBondContact O-CB 3.28Å; E524-L527 PolarHBondContact O-N 2.53Å; E524-A534 HydrophobicContact CB-CB 4.46Å; E524-L537 HydrophobicContact CG-CB 3.97Å; E524-L537 HydrophobicContact CG-CD1 4.32Å; E524-K538 VanDerWaalsContact OE1-CA 3.28Å; E524-K538 WeakPolarHBondContact OE1-CA 3.37Å; E524-K538 PolarHBondContact OE1-N 3.34Å |
| 525 | H | 81.3 | Confident | 83.1 | Confident | 38 Ų | 38 | 46 Ų | 46 | 18% | 0.176 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -75.3 | -18 | 179.9 | -67.7 | -173.8 | 0 | 0 | 0 | 113.4 | N522 V523 L527 H745 H813 | N522-H525 HydrophobicContact CB-CB 4.37Å; N522-H525 PolarHBondContact ND2-CE1 3.1Å; N522-H525 VanDerWaalsContact ND2-CE1 3.33Å; N522-H525 PolarHBondContact ND2-NE2 2.73Å; N522-H525 WeakPolarHBondContact O-CA 3.3Å; N522-H525 WeakPolarHBondContact O-CB 3.46Å; N522-H525 PolarHBondContact O-N 2.97Å; V523-H525 PolarHBondContact O-N 2.89Å; H525-L527 PolarHBondContact O-N 3.47Å; H525-H745 AromaticContact CE1-CD2 3.92Å; H525-H813 HydrophobicContact CB-CB 4.21Å; H525-H813 VanDerWaalsContact CB-CD2 3.46Å; H525-H813 WeakPolarHBondContact CB-CD2 3.48Å; H525-H813 AromaticContact CE1-NE2 3.72Å; H525-H813 AromaticContact CG-CD2 3.48Å; H525-H813 VanDerWaalsContact CG-CD2 3.48Å; H525-H813 AromaticContact CG-CG 3.94Å; H525-H813 AromaticContact CG-NE2 3.79Å; H525-H813 AromaticContact ND1-CD2 3.37Å; H525-H813 PolarHBondContact ND1-CD2 3.48Å; H525-H813 AromaticContact ND1-CE1 3.88Å; H525-H813 AromaticContact ND1-NE2 3.18Å; H525-H813 PolarHBondContact ND1-NE2 2.86Å; H525-H813 VanDerWaalsContact ND1-NE2 3.18Å |
| 526 | L | 80.9 | Confident | 83.3 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -70.4 | -19.4 | 171 | -61.8 | -177.5 | 0 | 0 | 0 | 112 | F61 F264 I268 N271 L521 V523 E524 I749 M814 | F61-L526 HydrophobicContact CD1-CD1 4.03Å; F61-L526 HydrophobicContact CD1-CD2 4.33Å; F61-L526 HydrophobicContact CE1-CD1 4.19Å; F61-L526 HydrophobicContact CE1-CD2 4.13Å; F61-L526 HydrophobicContact CG-CD1 4.42Å; F264-L526 HydrophobicContact CZ-CD1 4.43Å; I268-L526 HydrophobicContact CD1-CB 4.05Å; I268-L526 HydrophobicContact CD1-CD1 4.21Å; I268-L526 HydrophobicContact CG1-CB 4.33Å; N271-L526 PolarHBondContact ND2-O 3.42Å; L521-L526 HydrophobicContact CD1-CD2 3.92Å; L521-L526 HydrophobicContact CD1-CG 4.22Å; L521-L526 HydrophobicContact CD2-CD1 4.11Å; L521-L526 HydrophobicContact CD2-CD2 4.38Å; L521-L526 HydrophobicContact CD2-CG 4.33Å; V523-L526 PolarHBondContact O-N 3.24Å; E524-L526 VanDerWaalsContact C-N 3.31Å; L526-I749 HydrophobicContact CD2-CD1 3.64Å; L526-M814 HydrophobicContact CD2-CE 4.3Å |
| 527 | L | 84.7 | Confident | 83.4 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -97.9 | 156.6 | -174.8 | -57.4 | 172.1 | 0 | 0 | 0 | 111.3 | F264 E267 I268 E524 H525 V533 A534 L537 | F264-L527 HydrophobicContact CD2-CD1 3.92Å; F264-L527 HydrophobicContact CD2-CD2 3.98Å; F264-L527 HydrophobicContact CD2-CG 4.36Å; F264-L527 HydrophobicContact CE2-CD1 3.65Å; F264-L527 HydrophobicContact CE2-CD2 3.83Å; F264-L527 HydrophobicContact CE2-CG 3.87Å; F264-L527 HydrophobicContact CZ-CD2 4.25Å; F264-L527 HydrophobicContact CZ-CG 4.43Å; E267-L527 HydrophobicContact CB-CD2 3.67Å; I268-L527 HydrophobicContact CG1-CD2 3.75Å; E524-L527 WeakPolarHBondContact O-CB 3.28Å; E524-L527 PolarHBondContact O-N 2.53Å; H525-L527 PolarHBondContact O-N 3.47Å; L527-V533 HydrophobicContact CD1-CB 3.96Å; L527-V533 HydrophobicContact CD1-CG1 3.78Å; L527-A534 HydrophobicContact CB-CB 4.15Å; L527-A534 HydrophobicContact CD1-CB 3.82Å; L527-L537 HydrophobicContact CD1-CD1 4.18Å |
| 528 | P | 84.5 | Confident | 83.6 | Confident | 12 Ų | 12 | 44 Ų | 44 | 8% | 0.078 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -56.5 | 148.6 | 170.7 | -16.3 | 22.8 | 0 | 0 | 0 | 111.7 | E267 N271 R530 S531 | E267-P528 VanDerWaalsContact O-CD 3.23Å; E267-P528 WeakPolarHBondContact O-CD 3.41Å; N271-P528 WeakPolarHBondContact OD1-CA 3.36Å; N271-P528 WeakPolarHBondContact OD1-CG 3.14Å; P528-R530 PolarHBondContact O-N 3.25Å; P528-R530 VanDerWaalsContact O-N 3.11Å; P528-S531 WeakPolarHBondContact O-CB 3.22Å; P528-S531 PolarHBondContact O-N 3.32Å |
| 529 | R | 82.9 | Confident | 83.9 | Confident | 152 Ų | 152 | 41.2 Ų | 41.2 | 57% | 0.574 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -31.2 | -178 | -74.2 | -177.6 | 171.7 | -171.1 | -4.5 | 113.5 | E811 E816 | R529-E811 HydrophobicContact CB-CB 4.49Å; R529-E811 PolarHBondContact N-O 3.09Å; R529-E816 IonicContact CZ-OE2 3.52Å; R529-E816 IonicContact NE-OE2 2.83Å; R529-E816 IonicContact NH2-OE1 3.47Å; R529-E816 PolarHBondContact NH2-OE1 3.26Å; R529-E816 VanDerWaalsContact NH2-OE1 3.09Å; R529-E816 IonicContact NH2-OE2 3.92Å; R529-E816 PolarHBondContact NH2-OE2 3.09Å |
| 530 | R | 85.7 | Confident | 84.2 | Confident | 187 Ų | 187 | 39.9 Ų | 39.9 | 71% | 0.706 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 39.2 | 176.4 | -56.4 | -170.5 | -163.2 | -169.4 | 3.8 | 112.5 | R270 P528 E811 | R270-R530 PolarHBondContact NH2-O 3.34Å; P528-R530 PolarHBondContact O-N 3.25Å; P528-R530 VanDerWaalsContact O-N 3.11Å; R530-E811 WeakPolarHBondContact CD-OE2 3.48Å; R530-E811 IonicContact CZ-OE1 2.72Å; R530-E811 IonicContact CZ-OE2 3.55Å; R530-E811 IonicContact NE-OE1 2.96Å; R530-E811 IonicContact NE-OE2 3.9Å; R530-E811 PolarHBondContact NE-OE2 2.96Å; R530-E811 IonicContact NH2-OE1 3.37Å; R530-E811 PolarHBondContact NH2-OE1 3.32Å; R530-E811 IonicContact NH2-OE2 3.16Å; R530-E811 PolarHBondContact NH2-OE2 3.37Å |
| 531 | S | 88.6 | Confident | 84.8 | Confident | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | trans | -83.3 | 129.6 | 174.2 | -176.2 | 0 | 0 | 0 | 0 | 111.1 | E267 P528 V533 A534 M535 | E267-S531 VanDerWaalsContact CD-OG 3.25Å; E267-S531 WeakPolarHBondContact CG-OG 3.36Å; E267-S531 WeakPolarHBondContact OE2-CB 3.43Å; E267-S531 PolarHBondContact OE2-OG 3.43Å; P528-S531 WeakPolarHBondContact O-CB 3.22Å; P528-S531 PolarHBondContact O-N 3.32Å; S531-V533 PolarHBondContact O-N 3.29Å; S531-V533 PolarHBondContact OG-N 3.47Å; S531-A534 PolarHBondContact O-N 2.98Å; S531-A534 PolarHBondContact OG-N 2.76Å; S531-M535 PolarHBondContact O-N 3.01Å; S531-M535 VanDerWaalsContact O-N 3.14Å | ||
| 532 | Y | 90.5 | Very high | 85.7 | Confident | 66 Ų | 66 | 50.9 Ų | 50.9 | 26% | 0.259 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.3 | -29.5 | 171.3 | 68.7 | -86.8 | 0 | 0 | 0 | 111.1 | W258 S263 E267 T536 | W258-Y532 AromaticContact CD1-CE2 3.99Å; W258-Y532 AromaticContact NE1-CD2 3.82Å; W258-Y532 AromaticContact NE1-CE2 3.76Å; W258-Y532 WeakPolarHBondContact O-CD2 3.29Å; S263-Y532 WeakPolarHBondContact CB-OH 3.07Å; S263-Y532 PolarHBondContact OG-OH 2.78Å; E267-Y532 HydrophobicContact CG-CD1 4.48Å; E267-Y532 HydrophobicContact CG-CE1 3.9Å; E267-Y532 WeakPolarHBondContact OE1-CE1 3.4Å; Y532-T536 WeakPolarHBondContact O-CB 3.23Å; Y532-T536 PolarHBondContact O-N 3.4Å; Y532-T536 PolarHBondContact O-OG1 3.02Å |
| 533 | V | 90.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70 | -45.1 | 176.3 | -178.9 | 0 | 0 | 0 | 0 | 110.9 | S259 F264 E267 L527 S531 M535 T536 L537 | S259-V533 WeakPolarHBondContact OG-CG1 3.48Å; F264-V533 HydrophobicContact CB-CG1 4.16Å; F264-V533 HydrophobicContact CD2-CG1 3.65Å; F264-V533 HydrophobicContact CG-CG1 4.38Å; E267-V533 HydrophobicContact CG-CB 4.38Å; E267-V533 HydrophobicContact CG-CG2 3.82Å; L527-V533 HydrophobicContact CD1-CB 3.96Å; L527-V533 HydrophobicContact CD1-CG1 3.78Å; S531-V533 PolarHBondContact O-N 3.29Å; S531-V533 PolarHBondContact OG-N 3.47Å; V533-M535 VanDerWaalsContact C-N 3.28Å; V533-M535 PolarHBondContact O-N 3.45Å; V533-T536 WeakPolarHBondContact O-CB 3.4Å; V533-T536 PolarHBondContact O-N 3.43Å; V533-T536 VanDerWaalsContact O-N 3.07Å; V533-L537 HydrophobicContact CG1-CD1 4.4Å; V533-L537 HydrophobicContact CG1-CG 4.49Å; V533-L537 WeakPolarHBondContact O-CG 3.34Å; V533-L537 PolarHBondContact O-N 3.06Å |
| 534 | A | 88.7 | Confident | 87 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 12% | 0.116 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.8 | -43.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | E524 L527 S531 T536 L537 K538 | E524-A534 HydrophobicContact CB-CB 4.46Å; L527-A534 HydrophobicContact CB-CB 4.15Å; L527-A534 HydrophobicContact CD1-CB 3.82Å; S531-A534 PolarHBondContact O-N 2.98Å; S531-A534 PolarHBondContact OG-N 2.76Å; A534-T536 VanDerWaalsContact C-N 3.33Å; A534-T536 PolarHBondContact O-N 2.89Å; A534-L537 PolarHBondContact O-N 3.22Å; A534-K538 WeakPolarHBondContact O-CB 3.26Å; A534-K538 PolarHBondContact O-N 3.46Å |
| 535 | M | 90.9 | Very high | 87.2 | Confident | 77 Ų | 77 | 50.2 Ų | 50.2 | 38% | 0.379 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.8 | -40 | 175 | -172.7 | 61 | 160.7 | 0 | 0 | 112.3 | Y257 S531 V533 K538 M539 | Y257-M535 HydrophobicContact CD1-CG 3.73Å; Y257-M535 HydrophobicContact CE1-CE 3.8Å; Y257-M535 HydrophobicContact CE1-CG 3.52Å; Y257-M535 HydrophobicContact CE1-SD 4.42Å; S531-M535 PolarHBondContact O-N 3.01Å; S531-M535 VanDerWaalsContact O-N 3.14Å; V533-M535 VanDerWaalsContact C-N 3.28Å; V533-M535 PolarHBondContact O-N 3.45Å; M535-K538 PolarHBondContact O-N 3.36Å; M535-M539 HydrophobicContact CE-CE 3.2Å; M535-M539 WeakPolarHBondContact O-CB 3.49Å; M535-M539 VanDerWaalsContact O-CG 3.28Å; M535-M539 WeakPolarHBondContact O-CG 3.26Å; M535-M539 PolarHBondContact O-N 3.36Å; M535-M539 HydrophobicContact SD-CE 3.82Å |
| 536 | T | 91.2 | Very high | 87.3 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 177.4 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | Y101 I103 Y257 W258 Y532 V533 A534 M539 N540 | Y101-T536 HydrophobicContact CD2-CG2 4.42Å; Y101-T536 HydrophobicContact CE2-CG2 3.41Å; Y101-T536 VanDerWaalsContact CE2-CG2 3.41Å; I103-T536 HydrophobicContact CD1-CG2 4.25Å; Y257-T536 WeakPolarHBondContact CB-OG1 3.09Å; W258-T536 PolarHBondContact N-OG1 2.85Å; W258-T536 PolarHBondContact O-OG1 2.99Å; W258-T536 VanDerWaalsContact O-OG1 3.11Å; Y532-T536 WeakPolarHBondContact O-CB 3.23Å; Y532-T536 PolarHBondContact O-N 3.4Å; Y532-T536 PolarHBondContact O-OG1 3.02Å; V533-T536 WeakPolarHBondContact O-CB 3.4Å; V533-T536 PolarHBondContact O-N 3.43Å; V533-T536 VanDerWaalsContact O-N 3.07Å; A534-T536 VanDerWaalsContact C-N 3.33Å; A534-T536 PolarHBondContact O-N 2.89Å; T536-M539 PolarHBondContact O-N 2.91Å; T536-N540 WeakPolarHBondContact O-CB 3.07Å; T536-N540 PolarHBondContact O-N 3.23Å |
| 537 | L | 87.7 | Confident | 87.4 | Confident | 15 Ų | 15 | 52.6 Ų | 52.6 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.6 | -45.1 | 175.4 | -69.2 | 176 | 0 | 0 | 0 | 111.6 | F94 F264 V523 E524 L527 V533 A534 M539 N540 D541 | F94-L537 HydrophobicContact CB-CD2 4.38Å; F94-L537 HydrophobicContact CD1-CD2 3.77Å; F94-L537 HydrophobicContact CG-CD2 4.43Å; F264-L537 HydrophobicContact CD2-CD1 4.12Å; F264-L537 HydrophobicContact CE2-CD1 3.86Å; V523-L537 HydrophobicContact CG1-CD1 4.28Å; E524-L537 HydrophobicContact CG-CB 3.97Å; E524-L537 HydrophobicContact CG-CD1 4.32Å; L527-L537 HydrophobicContact CD1-CD1 4.18Å; V533-L537 HydrophobicContact CG1-CD1 4.4Å; V533-L537 HydrophobicContact CG1-CG 4.49Å; V533-L537 WeakPolarHBondContact O-CG 3.34Å; V533-L537 PolarHBondContact O-N 3.06Å; A534-L537 PolarHBondContact O-N 3.22Å; L537-M539 VanDerWaalsContact C-N 3.32Å; L537-M539 PolarHBondContact O-N 3.15Å; L537-N540 WeakPolarHBondContact O-CB 3.15Å; L537-N540 PolarHBondContact O-N 3.1Å; L537-N540 VanDerWaalsContact O-N 3.12Å; L537-D541 PolarHBondContact O-N 3.07Å |
| 538 | K | 88.8 | Confident | 86.9 | Confident | 122 Ų | 122 | 52.9 Ų | 52.9 | 53% | 0.53 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.7 | -41.4 | 176.6 | -173.9 | 173 | -175.5 | 168.5 | 0 | 112.5 | E524 A534 M535 R542 | E524-K538 VanDerWaalsContact OE1-CA 3.28Å; E524-K538 WeakPolarHBondContact OE1-CA 3.37Å; E524-K538 PolarHBondContact OE1-N 3.34Å; A534-K538 WeakPolarHBondContact O-CB 3.26Å; A534-K538 PolarHBondContact O-N 3.46Å; M535-K538 PolarHBondContact O-N 3.36Å; K538-R542 WeakPolarHBondContact O-CB 3.41Å; K538-R542 PolarHBondContact O-N 3.41Å |
| 539 | M | 90.3 | Very high | 86.3 | Confident | 16 Ų | 16 | 52.8 Ų | 52.8 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.9 | -33.5 | 176 | -68.6 | -59.1 | 172.3 | 0 | 0 | 112.1 | Y257 M535 T536 L537 R542 Y543 | Y257-M539 HydrophobicContact CD1-CG 4.09Å; Y257-M539 HydrophobicContact CD2-CB 4.15Å; Y257-M539 HydrophobicContact CD2-CG 3.99Å; Y257-M539 HydrophobicContact CE1-CE 4.41Å; Y257-M539 HydrophobicContact CE1-CG 3.9Å; Y257-M539 HydrophobicContact CE2-CB 4.35Å; Y257-M539 HydrophobicContact CE2-CG 3.77Å; Y257-M539 HydrophobicContact CE2-SD 4.41Å; Y257-M539 HydrophobicContact CG-CB 4.32Å; Y257-M539 HydrophobicContact CG-CG 4.13Å; M535-M539 HydrophobicContact CE-CE 3.2Å; M535-M539 WeakPolarHBondContact O-CB 3.49Å; M535-M539 VanDerWaalsContact O-CG 3.28Å; M535-M539 WeakPolarHBondContact O-CG 3.26Å; M535-M539 PolarHBondContact O-N 3.36Å; M535-M539 HydrophobicContact SD-CE 3.82Å; T536-M539 PolarHBondContact O-N 2.91Å; L537-M539 VanDerWaalsContact C-N 3.32Å; L537-M539 PolarHBondContact O-N 3.15Å; M539-R542 PolarHBondContact O-N 3.48Å; M539-Y543 HydrophobicContact CB-CD2 4.28Å; M539-Y543 HydrophobicContact CB-CE2 4.36Å; M539-Y543 WeakPolarHBondContact O-CD2 3.46Å; M539-Y543 PolarHBondContact O-N 3.23Å; M539-Y543 HydrophobicContact SD-CD2 4.46Å; M539-Y543 HydrophobicContact SD-CE2 3.75Å |
| 540 | N | 88.4 | Confident | 86.3 | Confident | 21 Ų | 21 | 46.7 Ų | 46.7 | 11% | 0.112 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.3 | -50.4 | 172.8 | -175.1 | 76.6 | 0 | 0 | 0 | 111.1 | I103 R218 T536 L537 R542 Y543 F544 | I103-N540 HydrophobicContact CD1-CB 3.82Å; R218-N540 PolarHBondContact NH1-OD1 3.44Å; T536-N540 WeakPolarHBondContact O-CB 3.07Å; T536-N540 PolarHBondContact O-N 3.23Å; L537-N540 WeakPolarHBondContact O-CB 3.15Å; L537-N540 PolarHBondContact O-N 3.1Å; L537-N540 VanDerWaalsContact O-N 3.12Å; N540-R542 VanDerWaalsContact C-N 3.32Å; N540-R542 PolarHBondContact O-N 3.36Å; N540-Y543 PolarHBondContact O-N 3.05Å; N540-F544 WeakPolarHBondContact O-CA 3.47Å; N540-F544 WeakPolarHBondContact O-CB 3.4Å; N540-F544 PolarHBondContact O-N 2.87Å |
| 541 | D | 85.3 | Confident | 86.4 | Confident | 68 Ų | 68 | 37.8 Ų | 37.8 | 36% | 0.364 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.1 | -39.2 | 177.2 | -171.3 | 47.8 | 0 | 0 | 0 | 111.8 | L537 S545 | L537-D541 PolarHBondContact O-N 3.07Å; D541-S545 WeakPolarHBondContact O-CB 3.39Å; D541-S545 PolarHBondContact O-N 3.26Å; D541-S545 PolarHBondContact O-OG 2.71Å |
| 542 | R | 88.4 | Confident | 86.4 | Confident | 169 Ų | 169 | 38.3 Ų | 38.3 | 64% | 0.638 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -64 | -45.6 | 178.6 | -175.7 | 178.5 | -175.5 | 173.5 | 3.8 | 113.9 | K538 M539 N540 | K538-R542 WeakPolarHBondContact O-CB 3.41Å; K538-R542 PolarHBondContact O-N 3.41Å; M539-R542 PolarHBondContact O-N 3.48Å; N540-R542 VanDerWaalsContact C-N 3.32Å; N540-R542 PolarHBondContact O-N 3.36Å |
| 543 | Y | 89.6 | Confident | 86.4 | Confident | 34 Ų | 34 | 35.2 Ų | 35.2 | 13% | 0.133 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -95.3 | -25.8 | -171.5 | -68.3 | -64.8 | 0 | 0 | 0 | 113.7 | A105 G200 G201 A215 A216 M539 N540 | A105-Y543 HydrophobicContact CB-CD2 4.45Å; A105-Y543 HydrophobicContact CB-CE2 3.75Å; G200-Y543 CarbonylContact C-O 3.47Å; G200-Y543 WeakPolarHBondContact CA-O 3.49Å; G201-Y543 PolarHBondContact N-O 3.21Å; A215-Y543 HydrophobicContact CB-CD1 3.99Å; A215-Y543 HydrophobicContact CB-CE1 3.83Å; A216-Y543 HydrophobicContact CB-CD1 3.96Å; A216-Y543 HydrophobicContact CB-CD2 3.85Å; A216-Y543 HydrophobicContact CB-CE1 4.47Å; A216-Y543 HydrophobicContact CB-CE2 4.39Å; A216-Y543 HydrophobicContact CB-CG 3.63Å; M539-Y543 HydrophobicContact CB-CD2 4.28Å; M539-Y543 HydrophobicContact CB-CE2 4.36Å; M539-Y543 WeakPolarHBondContact O-CD2 3.46Å; M539-Y543 PolarHBondContact O-N 3.23Å; M539-Y543 HydrophobicContact SD-CD2 4.46Å; M539-Y543 HydrophobicContact SD-CE2 3.75Å; N540-Y543 PolarHBondContact O-N 3.05Å |
| 544 | F | 88.3 | Confident | 86.5 | Confident | 19 Ų | 19 | 35.4 Ų | 35.4 | 8% | 0.083 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -118.2 | 21.4 | -171 | -57.4 | -89.5 | 0 | 0 | 0 | 113.3 | I103 A216 R218 N540 | I103-F544 HydrophobicContact CD1-CE2 4.17Å; I103-F544 HydrophobicContact CG1-CE2 4.25Å; I103-F544 HydrophobicContact CG2-CE2 3.93Å; I103-F544 HydrophobicContact CG2-CZ 4.48Å; A216-F544 HydrophobicContact CB-CE2 4.28Å; A216-F544 HydrophobicContact CB-CZ 4.21Å; R218-F544 HydrophobicContact CB-CE1 3.82Å; R218-F544 HydrophobicContact CB-CE2 4.21Å; R218-F544 HydrophobicContact CB-CZ 3.52Å; N540-F544 WeakPolarHBondContact O-CA 3.47Å; N540-F544 WeakPolarHBondContact O-CB 3.4Å; N540-F544 PolarHBondContact O-N 2.87Å |
| 545 | S | 84.4 | Confident | 86.7 | Confident | 33 Ų | 33 | 34.8 Ų | 34.8 | 23% | 0.231 | 17% | 0.166 | C | C | . | . | trans | -82 | -13.7 | 176.7 | 43.6 | 0 | 0 | 0 | 0 | 114.9 | D541 Y547 N652 A653 G654 | D541-S545 WeakPolarHBondContact O-CB 3.39Å; D541-S545 PolarHBondContact O-N 3.26Å; D541-S545 PolarHBondContact O-OG 2.71Å; S545-Y547 VanDerWaalsContact C-N 3.34Å; S545-Y547 PolarHBondContact O-N 3.35Å; S545-N652 CarbonylContact O-C 3.53Å; S545-A653 PolarHBondContact O-N 3.01Å; S545-A653 VanDerWaalsContact O-N 3.08Å; S545-G654 PolarHBondContact O-N 3.4Å | ||
| 546 | S | 83.5 | Confident | 86.7 | Confident | 50 Ų | 50 | 35.1 Ų | 35.1 | 35% | 0.35 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -66.6 | -35.5 | -179.1 | -56.5 | 0 | 0 | 0 | 0 | 112.9 | N652 | S546-N652 PolarHBondContact O-N 3.26Š|
| 547 | Y | 81.5 | Confident | 86.6 | Confident | 42 Ų | 42 | 37.6 Ų | 37.6 | 17% | 0.165 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 130 | 175.2 | -76.4 | -93.2 | 0 | 0 | 0 | 107.9 | Y183 P184 T196 S545 R649 L650 R651 | Y183-Y547 AromaticContact CE1-CD2 3.71Å; Y183-Y547 HydrophobicContact CE1-CD2 3.71Å; Y183-Y547 AromaticContact CE1-CE2 3.52Å; Y183-Y547 HydrophobicContact CE1-CE2 3.52Å; Y183-Y547 AromaticContact CZ-CD2 3.78Å; Y183-Y547 WeakPolarHBondContact OH-CD2 3.32Å; P184-Y547 HydrophobicContact CB-CE1 4.32Å; T196-Y547 HydrophobicContact CG2-CD1 4.01Å; T196-Y547 HydrophobicContact CG2-CD2 4.02Å; T196-Y547 HydrophobicContact CG2-CG 3.65Å; S545-Y547 VanDerWaalsContact C-N 3.34Å; S545-Y547 PolarHBondContact O-N 3.35Å; Y547-R649 HydrophobicContact CD1-CG 4.09Å; Y547-L650 WeakPolarHBondContact CA-O 3.31Å; Y547-R651 HydrophobicContact CD1-CG 3.96Å; Y547-R651 HydrophobicContact CE1-CG 3.62Å |
| 548 | A | 75.7 | Confident | 86.7 | Confident | 7 Ų | 7 | 41.1 Ų | 41.1 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 175.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | S91 L650 A653 | S91-A548 WeakPolarHBondContact OG-CA 3.35Å; S91-A548 WeakPolarHBondContact OG-CB 3.32Å; A548-L650 HydrophobicContact CB-CB 3.84Å; A548-L650 HydrophobicContact CB-CD1 4.39Å; A548-L650 PolarHBondContact N-O 3.34Å; A548-A653 HydrophobicContact CB-CB 3.24Å |
| 549 | D | 72 | Confident | 86.9 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 6% | 0.059 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 170.3 | 164.8 | -139.2 | -68.7 | 0 | 0 | 0 | 113.5 | S88 G89 I90 S91 | S88-D549 WeakPolarHBondContact CA-OD1 3.45Å; G89-D549 WeakPolarHBondContact CA-OD2 3.46Å; G89-D549 PolarHBondContact N-OD1 2.95Å; G89-D549 PolarHBondContact N-OD2 3.09Å; I90-D549 WeakPolarHBondContact CA-OD2 3.42Å; I90-D549 WeakPolarHBondContact CB-OD2 3.4Å; I90-D549 PolarHBondContact N-OD2 3.24Å; S91-D549 WeakPolarHBondContact OG-CB 3.38Å; S91-D549 PolarHBondContact OG-N 3.32Å |
| 550 | F | 82.3 | Confident | 86.8 | Confident | 23 Ų | 23 | 36.8 Ų | 36.8 | 10% | 0.101 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 133.7 | 175.5 | -57.2 | -87.4 | 0 | 0 | 0 | 110.7 | V648 R649 | F550-V648 CarbonylContact C-O 3.54Å; F550-V648 VanDerWaalsContact CA-O 3.29Å; F550-V648 WeakPolarHBondContact CA-O 3.42Å; F550-R649 HydrophobicContact CD1-CB 3.86Å; F550-R649 HydrophobicContact CE1-CB 3.83Å; F550-R649 HydrophobicContact CE1-CG 4.34Å |
| 551 | A | 87.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 127 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | S647 V648 L650 V678 F679 H680 | A551-S647 WeakPolarHBondContact O-CA 3.09Å; A551-V648 PolarHBondContact N-O 2.71Å; A551-V648 PolarHBondContact O-N 2.93Å; A551-L650 HydrophobicContact CB-CD1 4.22Å; A551-L650 HydrophobicContact CB-CD2 4.02Å; A551-L650 HydrophobicContact CB-CG 4.11Å; A551-V678 HydrophobicContact CB-CG1 4.07Å; A551-F679 CarbonylContact C-O 3.58Å; A551-F679 WeakPolarHBondContact CA-O 3.31Å; A551-H680 HydrophobicContact CB-CB 4.21Å |
| 552 | T | 88 | Confident | 86.9 | Confident | 17 Ų | 17 | 34.5 Ų | 34.5 | 10% | 0.104 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 120.7 | 174.5 | -52.7 | 0 | 0 | 0 | 0 | 109.2 | L75 K645 V678 F679 | L75-T552 HydrophobicContact CD1-CG2 4.17Å; L75-T552 HydrophobicContact CD2-CG2 4.05Å; T552-K645 HydrophobicContact CG2-CB 3.98Å; T552-K645 HydrophobicContact CG2-CD 4.28Å; T552-V678 CarbonylContact O-C 3.57Å; T552-V678 WeakPolarHBondContact O-CA 3.45Å; T552-F679 PolarHBondContact N-O 3Å; T552-F679 PolarHBondContact O-N 3.43Å |
| 553 | V | 91.5 | Very high | 87 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 112.4 | 173.2 | 179.5 | 0 | 0 | 0 | 0 | 107 | L573 L577 K645 M646 V648 F669 V678 | V553-L573 HydrophobicContact CG1-CD2 4.01Å; V553-L577 HydrophobicContact CB-CD1 4.37Å; V553-L577 HydrophobicContact CG1-CD1 3.95Å; V553-L577 HydrophobicContact CG2-CD1 3.51Å; V553-K645 CarbonylContact O-C 3.56Å; V553-K645 VanDerWaalsContact O-CA 3.28Å; V553-K645 WeakPolarHBondContact O-CA 3.46Å; V553-M646 HydrophobicContact CB-CG 3.51Å; V553-M646 HydrophobicContact CB-SD 4.29Å; V553-M646 HydrophobicContact CG1-CE 4.25Å; V553-M646 HydrophobicContact CG1-CG 3.95Å; V553-M646 HydrophobicContact CG1-SD 4.16Å; V553-M646 HydrophobicContact CG2-CG 4.12Å; V553-M646 PolarHBondContact N-O 3.43Å; V553-M646 PolarHBondContact O-N 3.15Å; V553-V648 HydrophobicContact CG2-CG2 3.77Å; V553-F669 HydrophobicContact CG1-CD2 3.82Å; V553-F669 HydrophobicContact CG1-CE2 3.77Å; V553-V678 HydrophobicContact CB-CG2 4.45Å; V553-V678 HydrophobicContact CG1-CG2 4.23Å; V553-V678 HydrophobicContact CG2-CG1 4.11Å; V553-V678 HydrophobicContact CG2-CG2 4.05Å |
| 554 | F | 91.5 | Very high | 87.2 | Confident | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.022 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 128.3 | -179.3 | 178.2 | -118.5 | 0 | 0 | 0 | 110.3 | L75 L78 F79 N556 Y643 M644 G676 F677 | L75-F554 HydrophobicContact CD2-CB 4.01Å; L75-F554 HydrophobicContact CD2-CD2 4.2Å; L75-F554 HydrophobicContact CD2-CG 4.13Å; L78-F554 HydrophobicContact CD1-CE1 4.09Å; L78-F554 HydrophobicContact CD1-CE2 3.77Å; L78-F554 HydrophobicContact CD1-CZ 3.28Å; F79-F554 AromaticContact CE2-CD2 3.58Å; F79-F554 HydrophobicContact CE2-CD2 3.58Å; F79-F554 AromaticContact CE2-CE2 3.65Å; F79-F554 HydrophobicContact CE2-CE2 3.65Å; F79-F554 HydrophobicContact CZ-CD2 4Å; F79-F554 AromaticContact CZ-CE2 3.96Å; F79-F554 HydrophobicContact CZ-CE2 3.96Å; F554-N556 HydrophobicContact CD1-CB 4.33Å; F554-N556 HydrophobicContact CE1-CB 3.59Å; F554-N556 HydrophobicContact CZ-CB 3.87Å; F554-Y643 AromaticContact CE2-CD2 3.87Å; F554-Y643 HydrophobicContact CE2-CD2 3.87Å; F554-Y643 HydrophobicContact CE2-CG 4.06Å; F554-Y643 HydrophobicContact CZ-CG 4.35Å; F554-M644 WeakPolarHBondContact CD2-O 3.38Å; F554-G676 CarbonylContact O-C 3.17Å; F554-G676 VanDerWaalsContact O-CA 3.23Å; F554-G676 WeakPolarHBondContact O-CA 3.34Å; F554-F677 HydrophobicContact CB-CD2 4.15Å; F554-F677 HydrophobicContact CB-CE2 3.86Å; F554-F677 HydrophobicContact CB-CZ 4.07Å; F554-F677 AromaticContact CD1-CD1 3.95Å; F554-F677 HydrophobicContact CD1-CD1 3.95Å; F554-F677 AromaticContact CD1-CE1 3.39Å; F554-F677 HydrophobicContact CD1-CE1 3.39Å; F554-F677 HydrophobicContact CD1-CE2 4.17Å; F554-F677 AromaticContact CD1-CZ 3.51Å; F554-F677 HydrophobicContact CD1-CZ 3.51Å; F554-F677 AromaticContact CE1-CE1 3.99Å; F554-F677 HydrophobicContact CE1-CE1 3.99Å; F554-F677 HydrophobicContact CE1-CZ 4.27Å; F554-F677 HydrophobicContact CG-CE1 4.34Å; F554-F677 HydrophobicContact CG-CE2 4.38Å; F554-F677 HydrophobicContact CG-CZ 4.08Å; F554-F677 PolarHBondContact N-O 3.33Å; F554-F677 PolarHBondContact O-N 3.09Å |
| 555 | V | 93.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 115 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | Q557 F570 L573 Y643 M644 M646 F669 S675 | V555-Q557 HydrophobicContact CG1-CB 4.26Å; V555-F570 HydrophobicContact CG1-CD1 4.42Å; V555-F570 HydrophobicContact CG1-CE1 3.79Å; V555-F570 HydrophobicContact CG1-CZ 4.47Å; V555-L573 HydrophobicContact CG2-CD2 4.33Å; V555-Y643 CarbonylContact O-C 3.42Å; V555-Y643 VanDerWaalsContact O-CA 3.25Å; V555-Y643 WeakPolarHBondContact O-CA 3.49Å; V555-Y643 WeakPolarHBondContact O-CB 3.27Å; V555-M644 HydrophobicContact CB-CG 3.88Å; V555-M644 HydrophobicContact CG2-CE 4.33Å; V555-M644 HydrophobicContact CG2-CG 4.47Å; V555-M644 PolarHBondContact N-O 2.8Å; V555-M644 PolarHBondContact O-N 2.99Å; V555-M646 HydrophobicContact CG2-CE 4.13Å; V555-F669 HydrophobicContact CG2-CE2 4.34Å; V555-S675 CarbonylContact C-O 3.53Å; V555-S675 WeakPolarHBondContact CA-O 3.35Å |
| 556 | N | 91.1 | Very high | 87.7 | Confident | 85 Ų | 85 | 36.5 Ų | 36.5 | 46% | 0.455 | 19% | 0.194 | S | C | . | . | trans | -106 | 70.6 | 180 | -170.7 | 20.4 | 0 | 0 | 0 | 110.2 | F554 S675 | F554-N556 HydrophobicContact CD1-CB 4.33Å; F554-N556 HydrophobicContact CE1-CB 3.59Å; F554-N556 HydrophobicContact CZ-CB 3.87Å; N556-S675 PolarHBondContact N-O 3.46Å; N556-S675 WeakPolarHBondContact O-CB 3.27Å | ||
| 557 | Q | 88.7 | Confident | 88 | Confident | 52 Ų | 52 | 34.6 Ų | 34.6 | 24% | 0.243 | 18% | 0.18 | C | C | . | . | trans | -143.2 | 134.4 | 179 | -176.3 | 170.6 | -5 | 0 | 0 | 108.9 | V555 F559 K642 | V555-Q557 HydrophobicContact CG1-CB 4.26Å; Q557-F559 VanDerWaalsContact O-CD1 3.26Å; Q557-F559 WeakPolarHBondContact O-CD1 3.22Å; Q557-F559 PolarHBondContact O-N 3.45Å; Q557-K642 CarbonylContact C-O 3.45Å; Q557-K642 PolarHBondContact N-O 3.37Å; Q557-K642 CarbonylContact O-C 3.52Å; Q557-K642 VanDerWaalsContact O-O 3.04Å | ||
| 558 | T | 91.2 | Very high | 88.6 | Confident | 90 Ų | 90 | 36.9 Ų | 36.9 | 55% | 0.552 | 19% | 0.192 | S | C | * | . | trans | -71.6 | 125.1 | 172.4 | 51.1 | 0 | 0 | 0 | 0 | 109.7 | A641 K642 | T558-A641 CarbonylContact C-O 3.3Å; T558-A641 VanDerWaalsContact CA-O 3.24Å; T558-A641 WeakPolarHBondContact CA-O 3.43Å; T558-K642 HydrophobicContact CG2-CB 4.47Å; T558-K642 HydrophobicContact CG2-CG 4.16Å | ||
| 559 | F | 91.2 | Very high | 89.5 | Confident | 9 Ų | 9 | 42.1 Ų | 42.1 | 4% | 0.039 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 150.1 | 175.9 | 64 | -88.5 | 0 | 0 | 0 | 111.6 | Q557 I561 D566 F570 W589 T640 A641 M644 | Q557-F559 VanDerWaalsContact O-CD1 3.26Å; Q557-F559 WeakPolarHBondContact O-CD1 3.22Å; Q557-F559 PolarHBondContact O-N 3.45Å; F559-I561 HydrophobicContact CD2-CD1 4.4Å; F559-I561 HydrophobicContact CE2-CD1 3.74Å; F559-I561 HydrophobicContact CZ-CD1 4.47Å; F559-D566 HydrophobicContact CB-CB 4.08Å; F559-F570 HydrophobicContact CB-CE2 4.34Å; F559-F570 HydrophobicContact CB-CZ 4.22Å; F559-F570 AromaticContact CD1-CE2 3.68Å; F559-F570 HydrophobicContact CD1-CE2 3.68Å; F559-F570 AromaticContact CD1-CZ 3.5Å; F559-F570 HydrophobicContact CD1-CZ 3.5Å; F559-F570 VanDerWaalsContact CD1-CZ 3.5Å; F559-F570 AromaticContact CD2-CE2 3.64Å; F559-F570 HydrophobicContact CD2-CE2 3.64Å; F559-F570 HydrophobicContact CD2-CZ 4.25Å; F559-F570 AromaticContact CE1-CE2 3.79Å; F559-F570 HydrophobicContact CE1-CE2 3.79Å; F559-F570 AromaticContact CE1-CZ 3.84Å; F559-F570 HydrophobicContact CE1-CZ 3.84Å; F559-F570 HydrophobicContact CE2-CD2 4.49Å; F559-F570 AromaticContact CE2-CE2 3.72Å; F559-F570 HydrophobicContact CE2-CE2 3.72Å; F559-F570 AromaticContact CG-CE2 3.62Å; F559-F570 HydrophobicContact CG-CE2 3.62Å; F559-F570 AromaticContact CG-CZ 3.74Å; F559-F570 HydrophobicContact CG-CZ 3.74Å; F559-F570 AromaticContact CZ-CE2 3.81Å; F559-F570 HydrophobicContact CZ-CE2 3.81Å; F559-F570 HydrophobicContact CZ-CZ 4.34Å; F559-W589 HydrophobicContact CE2-CZ2 4.27Å; F559-W589 HydrophobicContact CZ-CZ2 4.17Å; F559-T640 WeakPolarHBondContact O-CA 3.36Å; F559-A641 HydrophobicContact CD1-CB 4.23Å; F559-A641 HydrophobicContact CD2-CB 4.35Å; F559-A641 HydrophobicContact CE1-CB 3.67Å; F559-A641 HydrophobicContact CE2-CB 3.83Å; F559-A641 HydrophobicContact CZ-CB 3.44Å; F559-A641 VanDerWaalsContact CZ-CB 3.44Å; F559-A641 PolarHBondContact N-O 3.35Å; F559-A641 PolarHBondContact O-N 2.76Å; F559-M644 HydrophobicContact CE1-CB 4.44Å; F559-M644 HydrophobicContact CE1-CG 3.93Å; F559-M644 HydrophobicContact CE1-SD 3.68Å; F559-M644 HydrophobicContact CE2-SD 4.48Å; F559-M644 HydrophobicContact CZ-CB 4.45Å; F559-M644 HydrophobicContact CZ-CG 4.14Å; F559-M644 HydrophobicContact CZ-SD 3.45Å; F559-M644 WeakPolarHBondContact CZ-SD 3.42Å |
| 560 | S | 89.6 | Confident | 90.5 | Very high | 38 Ų | 38 | 41.6 Ų | 41.6 | 27% | 0.266 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 130.8 | 170.7 | -170.7 | 0 | 0 | 0 | 0 | 109.2 | N562 S563 R639 | S560-N562 PolarHBondContact O-N 2.97Å; S560-N562 VanDerWaalsContact O-N 3.11Å; S560-N562 PolarHBondContact OG-OD1 3.32Å; S560-S563 VanDerWaalsContact O-CB 3.25Å; S560-S563 WeakPolarHBondContact O-CB 3.02Å; S560-S563 PolarHBondContact O-N 3.24Å; S560-R639 WeakPolarHBondContact CA-O 3.31Å |
| 561 | I | 86.7 | Confident | 91.1 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -35.5 | -178.6 | -63.7 | -54 | 0 | 0 | 0 | 111.5 | F559 S563 Q567 W589 L604 L615 F633 L638 R639 A641 | F559-I561 HydrophobicContact CD2-CD1 4.4Å; F559-I561 HydrophobicContact CE2-CD1 3.74Å; F559-I561 HydrophobicContact CZ-CD1 4.47Å; I561-S563 VanDerWaalsContact C-N 3.31Å; I561-S563 PolarHBondContact O-N 3.18Å; I561-Q567 PolarHBondContact O-NE2 2.73Å; I561-W589 HydrophobicContact CD1-CH2 3.96Å; I561-W589 HydrophobicContact CD1-CZ2 4.48Å; I561-L604 HydrophobicContact CG2-CD2 4.3Å; I561-L615 HydrophobicContact CB-CD1 4.22Å; I561-L615 HydrophobicContact CD1-CD1 4.26Å; I561-L615 HydrophobicContact CG1-CD1 3.83Å; I561-L615 HydrophobicContact CG2-CD1 3.49Å; I561-L615 VanDerWaalsContact CG2-CD1 3.49Å; I561-L615 HydrophobicContact CG2-CG 4.23Å; I561-F633 HydrophobicContact CD1-CE1 4.39Å; I561-L638 WeakPolarHBondContact CG1-O 3.3Å; I561-R639 PolarHBondContact N-O 3.4Å; I561-A641 HydrophobicContact CD1-CB 3.94Å |
| 562 | N | 88.8 | Confident | 91.4 | Very high | 38 Ų | 38 | 47 Ų | 47 | 20% | 0.203 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 1.1 | -177.2 | 75.1 | -29.8 | 0 | 0 | 0 | 114.9 | S560 R564 L604 Q606 A611 | S560-N562 PolarHBondContact O-N 2.97Å; S560-N562 VanDerWaalsContact O-N 3.11Å; S560-N562 PolarHBondContact OG-OD1 3.32Å; N562-R564 PolarHBondContact O-N 3.44Å; N562-L604 WeakPolarHBondContact CA-O 3.46Å; N562-L604 WeakPolarHBondContact CB-O 3.48Å; N562-Q606 WeakPolarHBondContact CB-O 3.34Å; N562-Q606 PolarHBondContact ND2-O 3.02Å; N562-Q606 VanDerWaalsContact ND2-O 3.08Å; N562-A611 HydrophobicContact CB-CB 4.15Å |
| 563 | S | 91.5 | Very high | 91.7 | Very high | 31 Ų | 31 | 46.4 Ų | 46.4 | 22% | 0.217 | 23% | 0.233 | C | C | . | . | trans | -73 | 109.7 | 180 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | S560 I561 V565 D566 Q567 | S560-S563 VanDerWaalsContact O-CB 3.25Å; S560-S563 WeakPolarHBondContact O-CB 3.02Å; S560-S563 PolarHBondContact O-N 3.24Å; I561-S563 VanDerWaalsContact C-N 3.31Å; I561-S563 PolarHBondContact O-N 3.18Å; S563-V565 PolarHBondContact O-N 3.35Å; S563-D566 WeakPolarHBondContact CB-OD2 3.4Å; S563-D566 PolarHBondContact O-N 3.3Å; S563-D566 PolarHBondContact OG-N 3.42Å; S563-D566 PolarHBondContact OG-OD2 3.36Å; S563-Q567 VanDerWaalsContact O-CG 3.29Å; S563-Q567 WeakPolarHBondContact O-CG 3.35Å; S563-Q567 PolarHBondContact O-N 3.37Å; S563-Q567 VanDerWaalsContact O-N 3.07Å | ||
| 564 | R | 91.9 | Very high | 91.9 | Very high | 160 Ų | 160 | 46.9 Ų | 46.9 | 60% | 0.604 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -59 | -37.3 | 177 | -171.5 | 176.6 | 177.7 | 176.8 | 2.7 | 112.6 | N562 Q568 V605 | N562-R564 PolarHBondContact O-N 3.44Å; R564-Q568 HydrophobicContact CG-CG 4.49Å; R564-Q568 WeakPolarHBondContact O-CB 3.14Å; R564-Q568 VanDerWaalsContact O-CG 3.29Å; R564-Q568 WeakPolarHBondContact O-CG 3.2Å; R564-Q568 PolarHBondContact O-N 2.89Å; R564-V605 HydrophobicContact CB-CG1 3.81Å; R564-V605 HydrophobicContact CB-CG2 4.35Å; R564-V605 HydrophobicContact CG-CG1 4.38Å |
| 565 | V | 92.3 | Very high | 92 | Very high | 79 Ų | 79 | 52.9 Ų | 52.9 | 48% | 0.479 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.2 | -45.6 | -176.4 | 178.8 | 0 | 0 | 0 | 0 | 110.2 | S563 Q568 R569 | S563-V565 PolarHBondContact O-N 3.35Å; V565-Q568 PolarHBondContact O-N 2.87Å; V565-R569 WeakPolarHBondContact O-CG 3.23Å; V565-R569 PolarHBondContact O-N 3.25Å |
| 566 | D | 91.3 | Very high | 92.1 | Very high | 27 Ų | 27 | 54.4 Ų | 54.4 | 14% | 0.144 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.4 | -43.8 | -179.5 | -59.3 | -42.6 | 0 | 0 | 0 | 110.9 | F559 S563 Q568 R569 F570 | F559-D566 HydrophobicContact CB-CB 4.08Å; S563-D566 WeakPolarHBondContact CB-OD2 3.4Å; S563-D566 PolarHBondContact O-N 3.3Å; S563-D566 PolarHBondContact OG-N 3.42Å; S563-D566 PolarHBondContact OG-OD2 3.36Å; D566-Q568 VanDerWaalsContact C-N 3.31Å; D566-Q568 PolarHBondContact O-N 3.34Å; D566-R569 WeakPolarHBondContact O-CB 3.25Å; D566-R569 PolarHBondContact O-N 3.2Å; D566-R569 VanDerWaalsContact O-N 3.11Å; D566-F570 HydrophobicContact CB-CE2 3.85Å; D566-F570 HydrophobicContact CB-CZ 4.1Å; D566-F570 WeakPolarHBondContact O-CD2 3.24Å; D566-F570 VanDerWaalsContact O-CG 3.26Å; D566-F570 WeakPolarHBondContact O-CG 3.26Å; D566-F570 PolarHBondContact O-N 3.33Å |
| 567 | Q | 91.3 | Very high | 92.2 | Very high | 10 Ų | 10 | 50.4 Ų | 50.4 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -54.9 | -45.3 | 173.8 | -72.5 | 179.9 | 7.6 | 0 | 0 | 112.3 | I561 S563 F570 L571 L590 M594 | I561-Q567 PolarHBondContact O-NE2 2.73Å; S563-Q567 VanDerWaalsContact O-CG 3.29Å; S563-Q567 WeakPolarHBondContact O-CG 3.35Å; S563-Q567 PolarHBondContact O-N 3.37Å; S563-Q567 VanDerWaalsContact O-N 3.07Å; Q567-F570 PolarHBondContact O-N 2.9Å; Q567-L571 VanDerWaalsContact O-CG 3.31Å; Q567-L571 WeakPolarHBondContact O-CG 3.17Å; Q567-L571 PolarHBondContact O-N 2.91Å; Q567-L590 HydrophobicContact CB-CD2 4.25Å; Q567-L590 HydrophobicContact CG-CD1 4.21Å; Q567-L590 HydrophobicContact CG-CD2 4.3Å; Q567-M594 HydrophobicContact CB-CE 3.84Å; Q567-M594 HydrophobicContact CG-CE 3.99Å |
| 568 | Q | 93.2 | Very high | 92.4 | Very high | 90 Ų | 90 | 48.7 Ų | 48.7 | 42% | 0.421 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.3 | -38.8 | 177.7 | -77.1 | 178.8 | -19 | 0 | 0 | 112.4 | R564 V565 D566 L571 N572 | R564-Q568 HydrophobicContact CG-CG 4.49Å; R564-Q568 WeakPolarHBondContact O-CB 3.14Å; R564-Q568 VanDerWaalsContact O-CG 3.29Å; R564-Q568 WeakPolarHBondContact O-CG 3.2Å; R564-Q568 PolarHBondContact O-N 2.89Å; V565-Q568 PolarHBondContact O-N 2.87Å; D566-Q568 VanDerWaalsContact C-N 3.31Å; D566-Q568 PolarHBondContact O-N 3.34Å; Q568-L571 PolarHBondContact O-N 2.67Å; Q568-N572 WeakPolarHBondContact O-CB 3.5Å; Q568-N572 PolarHBondContact O-N 3.4Å; Q568-N572 PolarHBondContact O-ND2 3.04Å; Q568-N572 PolarHBondContact O-OD1 3.23Å |
| 569 | R | 93.8 | Very high | 92.4 | Very high | 116 Ų | 116 | 48.8 Ų | 48.8 | 44% | 0.438 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.5 | -44.3 | 175.7 | -73.5 | 172.9 | 175.8 | -171.8 | -3.4 | 111.6 | V565 D566 N572 L573 L674 | V565-R569 WeakPolarHBondContact O-CG 3.23Å; V565-R569 PolarHBondContact O-N 3.25Å; D566-R569 WeakPolarHBondContact O-CB 3.25Å; D566-R569 PolarHBondContact O-N 3.2Å; D566-R569 VanDerWaalsContact O-N 3.11Å; R569-N572 PolarHBondContact O-N 3.43Å; R569-L573 PolarHBondContact O-N 3.14Å; R569-L674 HydrophobicContact CB-CD2 4.42Å |
| 570 | F | 94.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 178.5 | -55.4 | -38.1 | 0 | 0 | 0 | 112.5 | V555 F559 D566 Q567 L573 Y574 F588 L590 M644 L674 | V555-F570 HydrophobicContact CG1-CD1 4.42Å; V555-F570 HydrophobicContact CG1-CE1 3.79Å; V555-F570 HydrophobicContact CG1-CZ 4.47Å; F559-F570 HydrophobicContact CB-CE2 4.34Å; F559-F570 HydrophobicContact CB-CZ 4.22Å; F559-F570 AromaticContact CD1-CE2 3.68Å; F559-F570 HydrophobicContact CD1-CE2 3.68Å; F559-F570 AromaticContact CD1-CZ 3.5Å; F559-F570 HydrophobicContact CD1-CZ 3.5Å; F559-F570 VanDerWaalsContact CD1-CZ 3.5Å; F559-F570 AromaticContact CD2-CE2 3.64Å; F559-F570 HydrophobicContact CD2-CE2 3.64Å; F559-F570 HydrophobicContact CD2-CZ 4.25Å; F559-F570 AromaticContact CE1-CE2 3.79Å; F559-F570 HydrophobicContact CE1-CE2 3.79Å; F559-F570 AromaticContact CE1-CZ 3.84Å; F559-F570 HydrophobicContact CE1-CZ 3.84Å; F559-F570 HydrophobicContact CE2-CD2 4.49Å; F559-F570 AromaticContact CE2-CE2 3.72Å; F559-F570 HydrophobicContact CE2-CE2 3.72Å; F559-F570 AromaticContact CG-CE2 3.62Å; F559-F570 HydrophobicContact CG-CE2 3.62Å; F559-F570 AromaticContact CG-CZ 3.74Å; F559-F570 HydrophobicContact CG-CZ 3.74Å; F559-F570 AromaticContact CZ-CE2 3.81Å; F559-F570 HydrophobicContact CZ-CE2 3.81Å; F559-F570 HydrophobicContact CZ-CZ 4.34Å; D566-F570 HydrophobicContact CB-CE2 3.85Å; D566-F570 HydrophobicContact CB-CZ 4.1Å; D566-F570 WeakPolarHBondContact O-CD2 3.24Å; D566-F570 VanDerWaalsContact O-CG 3.26Å; D566-F570 WeakPolarHBondContact O-CG 3.26Å; D566-F570 PolarHBondContact O-N 3.33Å; Q567-F570 PolarHBondContact O-N 2.9Å; F570-L573 PolarHBondContact O-N 3.27Å; F570-Y574 WeakPolarHBondContact O-CB 3.28Å; F570-Y574 PolarHBondContact O-N 3.49Å; F570-F588 HydrophobicContact CB-CZ 4.02Å; F570-L590 HydrophobicContact CB-CD2 4.23Å; F570-L590 HydrophobicContact CD2-CD2 4.44Å; F570-M644 HydrophobicContact CB-CE 4.1Å; F570-M644 HydrophobicContact CD1-CE 4.26Å; F570-M644 HydrophobicContact CD2-CE 4.25Å; F570-M644 HydrophobicContact CD2-SD 4.05Å; F570-M644 HydrophobicContact CE2-SD 4.18Å; F570-M644 HydrophobicContact CG-CE 3.95Å; F570-M644 HydrophobicContact CG-SD 4.31Å; F570-L674 HydrophobicContact CD1-CD1 3.72Å; F570-L674 HydrophobicContact CD1-CD2 4.39Å; F570-L674 HydrophobicContact CE1-CD1 3.99Å; F570-L674 HydrophobicContact CE1-CD2 3.89Å |
| 571 | L | 93.8 | Very high | 92.4 | Very high | 27 Ų | 27 | 53.7 Ų | 53.7 | 14% | 0.141 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 174.5 | -72.4 | 168.5 | 0 | 0 | 0 | 111.7 | Q567 Q568 L573 Y574 Y575 F588 L590 T591 M594 | Q567-L571 VanDerWaalsContact O-CG 3.31Å; Q567-L571 WeakPolarHBondContact O-CG 3.17Å; Q567-L571 PolarHBondContact O-N 2.91Å; Q568-L571 PolarHBondContact O-N 2.67Å; L571-L573 VanDerWaalsContact C-N 3.33Å; L571-L573 PolarHBondContact O-N 3.36Å; L571-Y574 PolarHBondContact O-N 3.49Å; L571-Y575 HydrophobicContact CB-CD2 4.32Å; L571-Y575 HydrophobicContact CB-CE2 4.11Å; L571-Y575 HydrophobicContact CD2-CE2 4.17Å; L571-Y575 WeakPolarHBondContact O-CD2 3.45Å; L571-Y575 PolarHBondContact O-N 3.46Å; L571-F588 HydrophobicContact CD2-CE1 3.98Å; L571-L590 HydrophobicContact CG-CD2 4.24Å; L571-T591 HydrophobicContact CD2-CG2 3.56Å; L571-M594 HydrophobicContact CD1-CE 3.85Å; L571-M594 HydrophobicContact CD1-SD 3.89Å |
| 572 | N | 94.7 | Very high | 92.6 | Very high | 110 Ų | 110 | 53.8 Ų | 53.8 | 59% | 0.588 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61.5 | -41.6 | 177.5 | -72 | -14.7 | 0 | 0 | 0 | 111.7 | Q568 R569 S576 | Q568-N572 WeakPolarHBondContact O-CB 3.5Å; Q568-N572 PolarHBondContact O-N 3.4Å; Q568-N572 PolarHBondContact O-ND2 3.04Å; Q568-N572 PolarHBondContact O-OD1 3.23Å; R569-N572 PolarHBondContact O-N 3.43Å; N572-S576 VanDerWaalsContact O-CB 3.24Å; N572-S576 WeakPolarHBondContact O-CB 3.26Å; N572-S576 PolarHBondContact O-N 3.35Å |
| 573 | L | 95 | Very high | 92.7 | Very high | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.3 | -50.2 | 173.4 | 173.1 | 62.5 | 0 | 0 | 0 | 111 | V553 V555 R569 F570 L571 Y575 S576 L577 M646 F669 L674 | V553-L573 HydrophobicContact CG1-CD2 4.01Å; V555-L573 HydrophobicContact CG2-CD2 4.33Å; R569-L573 PolarHBondContact O-N 3.14Å; F570-L573 PolarHBondContact O-N 3.27Å; L571-L573 VanDerWaalsContact C-N 3.33Å; L571-L573 PolarHBondContact O-N 3.36Å; L573-Y575 PolarHBondContact O-N 2.92Å; L573-S576 PolarHBondContact O-N 2.72Å; L573-L577 HydrophobicContact CD1-CD1 3.65Å; L573-L577 HydrophobicContact CD1-CG 3.94Å; L573-L577 HydrophobicContact CG-CD1 3.92Å; L573-L577 WeakPolarHBondContact O-CG 3.35Å; L573-L577 PolarHBondContact O-N 2.9Å; L573-M646 HydrophobicContact CD2-CE 4.33Å; L573-F669 HydrophobicContact CD1-CD2 4.07Å; L573-F669 HydrophobicContact CD2-CD2 3.84Å; L573-F669 HydrophobicContact CD2-CE2 3.75Å; L573-L674 HydrophobicContact CB-CD1 4.3Å; L573-L674 HydrophobicContact CD2-CD1 3.75Å |
| 574 | Y | 94.7 | Very high | 92.5 | Very high | 11 Ų | 11 | 51.4 Ų | 51.4 | 4% | 0.043 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.5 | -47.1 | -179.6 | -178.1 | -109.6 | 0 | 0 | 0 | 112.3 | F570 L571 S576 L577 T578 G586 F588 M646 V648 | F570-Y574 WeakPolarHBondContact O-CB 3.28Å; F570-Y574 PolarHBondContact O-N 3.49Å; L571-Y574 PolarHBondContact O-N 3.49Å; Y574-S576 PolarHBondContact O-N 3.45Å; Y574-L577 PolarHBondContact O-N 3.35Å; Y574-T578 HydrophobicContact CD1-CG2 4.49Å; Y574-T578 HydrophobicContact CD2-CG2 4.18Å; Y574-T578 HydrophobicContact CE1-CG2 4.18Å; Y574-T578 HydrophobicContact CE2-CG2 3.82Å; Y574-T578 WeakPolarHBondContact O-CB 3.38Å; Y574-T578 VanDerWaalsContact O-CG2 3.27Å; Y574-T578 WeakPolarHBondContact O-CG2 3.42Å; Y574-T578 PolarHBondContact O-N 2.81Å; Y574-T578 PolarHBondContact O-OG1 3.47Å; Y574-G586 PolarHBondContact OH-N 3.35Å; Y574-G586 PolarHBondContact OH-O 3.44Å; Y574-G586 VanDerWaalsContact OH-O 3.06Å; Y574-F588 AromaticContact CD1-CD1 3.79Å; Y574-F588 HydrophobicContact CD1-CD1 3.79Å; Y574-F588 HydrophobicContact CD1-CE1 4.47Å; Y574-F588 HydrophobicContact CD2-CB 4.17Å; Y574-F588 AromaticContact CD2-CD1 3.98Å; Y574-F588 HydrophobicContact CD2-CD1 3.98Å; Y574-F588 HydrophobicContact CD2-CG 4.25Å; Y574-F588 HydrophobicContact CE1-CB 4.38Å; Y574-F588 HydrophobicContact CE1-CD1 4.27Å; Y574-F588 HydrophobicContact CE2-CB 3.89Å; Y574-F588 HydrophobicContact CE2-CD1 4.46Å; Y574-F588 HydrophobicContact CE2-CG 4.47Å; Y574-F588 AromaticContact CG-CD1 3.62Å; Y574-F588 HydrophobicContact CG-CD1 3.62Å; Y574-F588 HydrophobicContact CG-CE1 4.13Å; Y574-F588 HydrophobicContact CG-CG 4.35Å; Y574-M646 HydrophobicContact CD2-CG 4.37Å; Y574-M646 HydrophobicContact CD2-SD 3.7Å; Y574-M646 HydrophobicContact CG-SD 4.21Å; Y574-V648 HydrophobicContact CD2-CG2 4.39Å; Y574-V648 HydrophobicContact CE2-CG2 4.33Å |
| 575 | Y | 94.4 | Very high | 92.3 | Very high | 130 Ų | 130 | 47.8 Ų | 47.8 | 51% | 0.51 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.9 | -37.3 | 177.3 | -68.5 | -54.3 | 0 | 0 | 0 | 112.4 | L571 L573 L577 T578 S579 | L571-Y575 HydrophobicContact CB-CD2 4.32Å; L571-Y575 HydrophobicContact CB-CE2 4.11Å; L571-Y575 HydrophobicContact CD2-CE2 4.17Å; L571-Y575 WeakPolarHBondContact O-CD2 3.45Å; L571-Y575 PolarHBondContact O-N 3.46Å; L573-Y575 PolarHBondContact O-N 2.92Å; Y575-L577 VanDerWaalsContact C-N 3.32Å; Y575-L577 PolarHBondContact O-N 2.69Å; Y575-T578 WeakPolarHBondContact CA-OG1 3.43Å; Y575-T578 PolarHBondContact O-N 3.26Å; Y575-T578 PolarHBondContact O-OG1 2.89Å; Y575-S579 VanDerWaalsContact O-CB 3.26Å; Y575-S579 WeakPolarHBondContact O-CB 3.23Å; Y575-S579 PolarHBondContact O-N 2.96Å; Y575-S579 PolarHBondContact O-OG 3Å |
| 576 | S | 93.9 | Very high | 91.9 | Very high | 33 Ų | 33 | 44.8 Ų | 44.8 | 23% | 0.231 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.8 | -33.3 | 175.9 | -178.2 | 0 | 0 | 0 | 0 | 113.2 | N572 L573 Y574 S579 R668 | N572-S576 VanDerWaalsContact O-CB 3.24Å; N572-S576 WeakPolarHBondContact O-CB 3.26Å; N572-S576 PolarHBondContact O-N 3.35Å; L573-S576 PolarHBondContact O-N 2.72Å; Y574-S576 PolarHBondContact O-N 3.45Å; S576-S579 PolarHBondContact O-OG 3.32Å; S576-R668 WeakPolarHBondContact OG-CD 3.26Å |
| 577 | L | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -81.1 | -28.6 | 178.6 | -70 | 172.2 | 0 | 0 | 0 | 112.2 | V553 L573 Y574 Y575 S583 V648 M665 R668 V678 | V553-L577 HydrophobicContact CB-CD1 4.37Å; V553-L577 HydrophobicContact CG1-CD1 3.95Å; V553-L577 HydrophobicContact CG2-CD1 3.51Å; L573-L577 HydrophobicContact CD1-CD1 3.65Å; L573-L577 HydrophobicContact CD1-CG 3.94Å; L573-L577 HydrophobicContact CG-CD1 3.92Å; L573-L577 WeakPolarHBondContact O-CG 3.35Å; L573-L577 PolarHBondContact O-N 2.9Å; Y574-L577 PolarHBondContact O-N 3.35Å; Y575-L577 VanDerWaalsContact C-N 3.32Å; Y575-L577 PolarHBondContact O-N 2.69Å; L577-S583 WeakPolarHBondContact O-CB 3.23Å; L577-S583 PolarHBondContact O-OG 2.93Å; L577-V648 HydrophobicContact CB-CG2 4.07Å; L577-V648 HydrophobicContact CD1-CG2 4.45Å; L577-M665 HydrophobicContact CB-SD 4.23Å; L577-M665 HydrophobicContact CD2-CB 4.49Å; L577-M665 HydrophobicContact CD2-SD 3.57Å; L577-M665 VanDerWaalsContact CD2-SD 3.57Å; L577-M665 HydrophobicContact CG-SD 4.47Å; L577-R668 HydrophobicContact CD2-CB 3.59Å; L577-R668 HydrophobicContact CD2-CG 4.49Å; L577-R668 HydrophobicContact CG-CB 4.49Å; L577-V678 HydrophobicContact CD1-CG2 4.38Å |
| 578 | T | 93 | Very high | 91.5 | Very high | 17 Ų | 17 | 45.2 Ų | 45.2 | 10% | 0.104 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -87.7 | -17.5 | -179.3 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | Y574 Y575 T580 S583 V648 | Y574-T578 HydrophobicContact CD1-CG2 4.49Å; Y574-T578 HydrophobicContact CD2-CG2 4.18Å; Y574-T578 HydrophobicContact CE1-CG2 4.18Å; Y574-T578 HydrophobicContact CE2-CG2 3.82Å; Y574-T578 WeakPolarHBondContact O-CB 3.38Å; Y574-T578 VanDerWaalsContact O-CG2 3.27Å; Y574-T578 WeakPolarHBondContact O-CG2 3.42Å; Y574-T578 PolarHBondContact O-N 2.81Å; Y574-T578 PolarHBondContact O-OG1 3.47Å; Y575-T578 WeakPolarHBondContact CA-OG1 3.43Å; Y575-T578 PolarHBondContact O-N 3.26Å; Y575-T578 PolarHBondContact O-OG1 2.89Å; T578-T580 VanDerWaalsContact C-N 3.27Å; T578-T580 PolarHBondContact O-N 2.9Å; T578-S583 WeakPolarHBondContact CA-OG 3.28Å; T578-S583 PolarHBondContact O-OG 3.28Å; T578-V648 HydrophobicContact CG2-CG1 4.11Å; T578-V648 HydrophobicContact CG2-CG2 4.28Å |
| 579 | S | 92.1 | Very high | 91.3 | Very high | 92 Ų | 92 | 41 Ų | 41 | 64% | 0.643 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -83.2 | 12.7 | 180 | 73.3 | 0 | 0 | 0 | 0 | 115 | Y575 S576 | Y575-S579 VanDerWaalsContact O-CB 3.26Å; Y575-S579 WeakPolarHBondContact O-CB 3.23Å; Y575-S579 PolarHBondContact O-N 2.96Å; Y575-S579 PolarHBondContact O-OG 3Å; S576-S579 PolarHBondContact O-OG 3.32Å |
| 580 | T | 90.9 | Very high | 91.2 | Very high | 23 Ų | 23 | 35.5 Ų | 35.5 | 14% | 0.141 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -90.9 | 159.2 | -179.9 | 82.5 | 0 | 0 | 0 | 0 | 111.9 | T578 F582 S583 I664 | T578-T580 VanDerWaalsContact C-N 3.27Å; T578-T580 PolarHBondContact O-N 2.9Å; T580-F582 PolarHBondContact O-N 3.22Å; T580-F582 PolarHBondContact OG1-N 3.14Å; T580-S583 WeakPolarHBondContact CA-OG 3.48Å; T580-S583 WeakPolarHBondContact CB-OG 3.34Å; T580-S583 PolarHBondContact N-OG 2.97Å; T580-S583 PolarHBondContact O-N 2.87Å; T580-S583 PolarHBondContact O-OG 2.9Å; T580-S583 VanDerWaalsContact O-OG 3.09Å; T580-S583 WeakPolarHBondContact OG1-CB 3.27Å; T580-S583 PolarHBondContact OG1-N 3.27Å; T580-S583 PolarHBondContact OG1-OG 3.48Å; T580-I664 HydrophobicContact CG2-CG2 3.81Å |
| 581 | E | 89.1 | Confident | 91.1 | Very high | 126 Ų | 126 | 36.9 Ų | 36.9 | 59% | 0.589 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.7 | 175.7 | -174.7 | -176.8 | 175 | 0 | 0 | 112.6 | ||
| 582 | F | 90.3 | Very high | 90.9 | Very high | 5 Ų | 5 | 38.9 Ų | 38.9 | 2% | 0.022 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 13 | -175.6 | -54.5 | -73.5 | 0 | 0 | 0 | 113.4 | T580 L650 R651 N652 N657 R660 I661 I664 | T580-F582 PolarHBondContact O-N 3.22Å; T580-F582 PolarHBondContact OG1-N 3.14Å; F582-L650 CarbonylContact O-C 3.54Å; F582-L650 WeakPolarHBondContact O-CA 3.07Å; F582-R651 WeakPolarHBondContact CA-O 3.48Å; F582-R651 PolarHBondContact O-N 2.98Å; F582-N652 HydrophobicContact CD1-CB 4.2Å; F582-N652 HydrophobicContact CE1-CB 4.5Å; F582-N657 HydrophobicContact CD1-CB 4.5Å; F582-N657 HydrophobicContact CE1-CB 4.19Å; F582-R660 HydrophobicContact CE2-CG 4.01Å; F582-R660 HydrophobicContact CZ-CG 4.48Å; F582-I661 HydrophobicContact CB-CD1 4.08Å; F582-I661 HydrophobicContact CB-CG1 3.63Å; F582-I661 HydrophobicContact CD1-CD1 4.34Å; F582-I661 HydrophobicContact CD1-CG1 4.14Å; F582-I661 HydrophobicContact CD2-CG1 4.28Å; F582-I661 HydrophobicContact CG-CD1 4.34Å; F582-I661 HydrophobicContact CG-CG1 3.76Å; F582-I664 HydrophobicContact CD2-CD1 4.02Å; F582-I664 HydrophobicContact CE2-CD1 4.06Å |
| 583 | S | 90.8 | Very high | 90.8 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 4% | 0.035 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 156.1 | -176.1 | 62 | 0 | 0 | 0 | 0 | 112.6 | L577 T578 T580 R649 | L577-S583 WeakPolarHBondContact O-CB 3.23Å; L577-S583 PolarHBondContact O-OG 2.93Å; T578-S583 WeakPolarHBondContact CA-OG 3.28Å; T578-S583 PolarHBondContact O-OG 3.28Å; T580-S583 WeakPolarHBondContact CA-OG 3.48Å; T580-S583 WeakPolarHBondContact CB-OG 3.34Å; T580-S583 PolarHBondContact N-OG 2.97Å; T580-S583 PolarHBondContact O-N 2.87Å; T580-S583 PolarHBondContact O-OG 2.9Å; T580-S583 VanDerWaalsContact O-OG 3.09Å; T580-S583 WeakPolarHBondContact OG1-CB 3.27Å; T580-S583 PolarHBondContact OG1-N 3.27Å; T580-S583 PolarHBondContact OG1-OG 3.48Å; S583-R649 CarbonylContact C-O 3.41Å; S583-R649 VanDerWaalsContact CA-O 3.25Å; S583-R649 WeakPolarHBondContact CA-O 3.39Å |
| 584 | A | 87.4 | Confident | 90.6 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 12% | 0.124 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 161.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | G586 R649 R651 | A584-G586 PolarHBondContact O-N 3.34Å; A584-R649 HydrophobicContact CB-CB 4.12Å; A584-R649 HydrophobicContact CB-CG 4.45Å; A584-R649 PolarHBondContact N-O 3.23Å; A584-R649 PolarHBondContact O-N 2.91Å; A584-R651 HydrophobicContact CB-CG 4.17Å |
| 585 | P | 87.6 | Confident | 90.5 | Very high | 83 Ų | 83 | 37 Ų | 37 | 54% | 0.539 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.4 | 131.5 | 168.3 | -26.2 | 35.5 | 0 | 0 | 0 | 111.2 | R649 | P585-R649 PolarHBondContact O-NH1 3.33Å |
| 586 | G | 84.5 | Confident | 90.3 | Very high | 17 Ų | 17 | 31.8 Ų | 31.8 | 18% | 0.175 | 19% | 0.189 | C | C | . | . | trans | -114.4 | -138.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y574 A584 S647 | Y574-G586 PolarHBondContact OH-N 3.35Å; Y574-G586 PolarHBondContact OH-O 3.44Å; Y574-G586 VanDerWaalsContact OH-O 3.06Å; A584-G586 PolarHBondContact O-N 3.34Å; G586-S647 CarbonylContact C-O 3.58Å; G586-S647 WeakPolarHBondContact CA-O 3.45Å | ||
| 587 | E | 82.8 | Confident | 90.2 | Very high | 44 Ų | 44 | 30.2 Ų | 30.2 | 21% | 0.206 | 18% | 0.178 | C | C | . | . | trans | -101.3 | 129.9 | -176.6 | -62.9 | 177.6 | 167.9 | 0 | 0 | 110.6 | Y627 S647 | E587-Y627 HydrophobicContact CB-CE1 4.16Å; E587-S647 PolarHBondContact N-O 3.24Å; E587-S647 VanDerWaalsContact N-O 3.11Å; E587-S647 PolarHBondContact O-N 3.48Å | ||
| 588 | F | 90.2 | Very high | 90.1 | Very high | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | trans | -147.5 | 112.9 | 177.1 | -177.6 | -155.7 | 0 | 0 | 0 | 110.7 | F570 L571 Y574 L590 T591 E592 M644 M646 | F570-F588 HydrophobicContact CB-CZ 4.02Å; L571-F588 HydrophobicContact CD2-CE1 3.98Å; Y574-F588 AromaticContact CD1-CD1 3.79Å; Y574-F588 HydrophobicContact CD1-CD1 3.79Å; Y574-F588 HydrophobicContact CD1-CE1 4.47Å; Y574-F588 HydrophobicContact CD2-CB 4.17Å; Y574-F588 AromaticContact CD2-CD1 3.98Å; Y574-F588 HydrophobicContact CD2-CD1 3.98Å; Y574-F588 HydrophobicContact CD2-CG 4.25Å; Y574-F588 HydrophobicContact CE1-CB 4.38Å; Y574-F588 HydrophobicContact CE1-CD1 4.27Å; Y574-F588 HydrophobicContact CE2-CB 3.89Å; Y574-F588 HydrophobicContact CE2-CD1 4.46Å; Y574-F588 HydrophobicContact CE2-CG 4.47Å; Y574-F588 AromaticContact CG-CD1 3.62Å; Y574-F588 HydrophobicContact CG-CD1 3.62Å; Y574-F588 HydrophobicContact CG-CE1 4.13Å; Y574-F588 HydrophobicContact CG-CG 4.35Å; F588-L590 HydrophobicContact CD1-CB 4.42Å; F588-L590 HydrophobicContact CD2-CB 4.11Å; F588-L590 HydrophobicContact CE1-CB 3.88Å; F588-L590 HydrophobicContact CE1-CD2 4.28Å; F588-L590 HydrophobicContact CE2-CB 3.49Å; F588-L590 VanDerWaalsContact CE2-CB 3.49Å; F588-L590 HydrophobicContact CZ-CB 3.38Å; F588-L590 HydrophobicContact CZ-CD2 3.74Å; F588-L590 HydrophobicContact CZ-CG 4.16Å; F588-L590 PolarHBondContact O-N 2.94Å; F588-L590 VanDerWaalsContact O-N 3.16Å; F588-T591 HydrophobicContact CD1-CG2 3.62Å; F588-T591 HydrophobicContact CE1-CG2 4.17Å; F588-T591 HydrophobicContact CG-CG2 4.48Å; F588-T591 PolarHBondContact O-N 3.36Å; F588-T591 PolarHBondContact O-OG1 2.97Å; F588-E592 PolarHBondContact O-N 2.91Å; F588-M644 HydrophobicContact CE2-CE 3.54Å; F588-M644 HydrophobicContact CZ-CE 3.97Å; F588-M646 HydrophobicContact CB-CB 4.23Å; F588-M646 HydrophobicContact CD2-CB 3.57Å; F588-M646 HydrophobicContact CD2-SD 4.44Å; F588-M646 HydrophobicContact CE2-CB 4.16Å; F588-M646 HydrophobicContact CE2-CE 4.08Å; F588-M646 HydrophobicContact CE2-SD 4.38Å; F588-M646 HydrophobicContact CG-CB 4.04Å; F588-M646 HydrophobicContact CZ-CE 4.15Å; F588-M646 HydrophobicContact CZ-SD 4.43Å | ||
| 589 | W | 90.1 | Very high | 90 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.9 | -36.6 | -175.9 | 74.7 | -96 | 0 | 0 | 0 | 113 | F559 I561 E592 A593 L615 Y627 I631 M644 | F559-W589 HydrophobicContact CE2-CZ2 4.27Å; F559-W589 HydrophobicContact CZ-CZ2 4.17Å; I561-W589 HydrophobicContact CD1-CH2 3.96Å; I561-W589 HydrophobicContact CD1-CZ2 4.48Å; W589-E592 PolarHBondContact O-N 3.34Å; W589-A593 HydrophobicContact CE3-CB 3.99Å; W589-A593 HydrophobicContact CZ3-CB 4.2Å; W589-A593 WeakPolarHBondContact O-CB 3.45Å; W589-A593 PolarHBondContact O-N 2.9Å; W589-L615 HydrophobicContact CZ3-CD2 4.06Å; W589-Y627 HydrophobicContact CB-CD1 3.48Å; W589-Y627 VanDerWaalsContact CB-CD1 3.48Å; W589-Y627 HydrophobicContact CB-CE1 4.2Å; W589-Y627 HydrophobicContact CB-CG 3.68Å; W589-I631 HydrophobicContact CD2-CD1 3.37Å; W589-I631 HydrophobicContact CD2-CG1 4.12Å; W589-I631 HydrophobicContact CE3-CD1 3.75Å; W589-I631 HydrophobicContact CG-CD1 3.78Å; W589-I631 HydrophobicContact CG-CG1 4.11Å; W589-I631 HydrophobicContact CH2-CD1 4.15Å; W589-I631 HydrophobicContact CZ2-CD1 3.81Å; W589-I631 HydrophobicContact CZ2-CG1 4.5Å; W589-I631 HydrophobicContact CZ3-CD1 4.12Å; W589-M644 HydrophobicContact CZ2-SD 4.28Å |
| 590 | L | 92.2 | Very high | 90 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.7 | -39.3 | -173.5 | -176.1 | 63.5 | 0 | 0 | 0 | 111.7 | Q567 F570 L571 F588 E592 A593 M594 | Q567-L590 HydrophobicContact CB-CD2 4.25Å; Q567-L590 HydrophobicContact CG-CD1 4.21Å; Q567-L590 HydrophobicContact CG-CD2 4.3Å; F570-L590 HydrophobicContact CB-CD2 4.23Å; F570-L590 HydrophobicContact CD2-CD2 4.44Å; L571-L590 HydrophobicContact CG-CD2 4.24Å; F588-L590 HydrophobicContact CD1-CB 4.42Å; F588-L590 HydrophobicContact CD2-CB 4.11Å; F588-L590 HydrophobicContact CE1-CB 3.88Å; F588-L590 HydrophobicContact CE1-CD2 4.28Å; F588-L590 HydrophobicContact CE2-CB 3.49Å; F588-L590 VanDerWaalsContact CE2-CB 3.49Å; F588-L590 HydrophobicContact CZ-CB 3.38Å; F588-L590 HydrophobicContact CZ-CD2 3.74Å; F588-L590 HydrophobicContact CZ-CG 4.16Å; F588-L590 PolarHBondContact O-N 2.94Å; F588-L590 VanDerWaalsContact O-N 3.16Å; L590-E592 VanDerWaalsContact C-N 3.34Å; L590-A593 PolarHBondContact O-N 3.34Å; L590-M594 HydrophobicContact CD1-CE 3.85Å; L590-M594 HydrophobicContact CD1-CG 4.45Å; L590-M594 HydrophobicContact CD2-CE 4.13Å; L590-M594 HydrophobicContact CG-CE 3.88Å; L590-M594 WeakPolarHBondContact O-CB 3.37Å; L590-M594 VanDerWaalsContact O-CG 3.23Å; L590-M594 WeakPolarHBondContact O-CG 3.32Å; L590-M594 PolarHBondContact O-N 3.38Å |
| 591 | T | 91.6 | Very high | 89.9 | Confident | 31 Ų | 31 | 47.7 Ų | 47.7 | 19% | 0.19 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.4 | -41 | 176.5 | 45.7 | 0 | 0 | 0 | 0 | 111 | L571 F588 A595 | L571-T591 HydrophobicContact CD2-CG2 3.56Å; F588-T591 HydrophobicContact CD1-CG2 3.62Å; F588-T591 HydrophobicContact CE1-CG2 4.17Å; F588-T591 HydrophobicContact CG-CG2 4.48Å; F588-T591 PolarHBondContact O-N 3.36Å; F588-T591 PolarHBondContact O-OG1 2.97Å; T591-A595 WeakPolarHBondContact O-CB 3.12Å; T591-A595 PolarHBondContact O-N 2.87Å |
| 592 | E | 89.7 | Confident | 89.9 | Confident | 68 Ų | 68 | 45 Ų | 45 | 32% | 0.318 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -68.8 | -42 | 177 | -66.5 | -55.2 | 133.1 | 0 | 0 | 112.2 | F588 W589 L590 A595 F596 F618 Y624 Y627 | F588-E592 PolarHBondContact O-N 2.91Å; W589-E592 PolarHBondContact O-N 3.34Å; L590-E592 VanDerWaalsContact C-N 3.34Å; E592-A595 PolarHBondContact O-N 2.82Å; E592-F596 WeakPolarHBondContact O-CB 3.43Å; E592-F596 PolarHBondContact O-N 2.85Å; E592-F618 HydrophobicContact CB-CE2 4.06Å; E592-F618 HydrophobicContact CB-CZ 3.94Å; E592-Y624 HydrophobicContact CB-CD1 4.35Å; E592-Y624 HydrophobicContact CB-CE1 4.2Å; E592-Y627 HydrophobicContact CB-CE2 4.12Å; E592-Y627 HydrophobicContact CG-CE2 3.9Å |
| 593 | A | 92 | Very high | 89.7 | Confident | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.017 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | W589 L590 F596 A597 L604 L615 F618 | W589-A593 HydrophobicContact CE3-CB 3.99Å; W589-A593 HydrophobicContact CZ3-CB 4.2Å; W589-A593 WeakPolarHBondContact O-CB 3.45Å; W589-A593 PolarHBondContact O-N 2.9Å; L590-A593 PolarHBondContact O-N 3.34Å; A593-F596 PolarHBondContact O-N 2.81Å; A593-A597 WeakPolarHBondContact O-CB 3.21Å; A593-A597 PolarHBondContact O-N 3.49Å; A593-L604 HydrophobicContact CB-CD1 3.97Å; A593-L615 HydrophobicContact CB-CD2 4.25Å; A593-F618 HydrophobicContact CB-CD1 4.27Å; A593-F618 HydrophobicContact CB-CD2 4.31Å; A593-F618 HydrophobicContact CB-CE1 4.11Å; A593-F618 HydrophobicContact CB-CE2 4.14Å; A593-F618 HydrophobicContact CB-CG 4.36Å; A593-F618 HydrophobicContact CB-CZ 4.03Å |
| 594 | M | 92.4 | Very high | 89.5 | Confident | 44 Ų | 44 | 47 Ų | 47 | 22% | 0.217 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.7 | -44 | 173 | -75.7 | -174.2 | 180 | 0 | 0 | 111.9 | Q567 L571 L590 F596 A597 Q598 L604 | Q567-M594 HydrophobicContact CB-CE 3.84Å; Q567-M594 HydrophobicContact CG-CE 3.99Å; L571-M594 HydrophobicContact CD1-CE 3.85Å; L571-M594 HydrophobicContact CD1-SD 3.89Å; L590-M594 HydrophobicContact CD1-CE 3.85Å; L590-M594 HydrophobicContact CD1-CG 4.45Å; L590-M594 HydrophobicContact CD2-CE 4.13Å; L590-M594 HydrophobicContact CG-CE 3.88Å; L590-M594 WeakPolarHBondContact O-CB 3.37Å; L590-M594 VanDerWaalsContact O-CG 3.23Å; L590-M594 WeakPolarHBondContact O-CG 3.32Å; L590-M594 PolarHBondContact O-N 3.38Å; M594-F596 VanDerWaalsContact C-N 3.31Å; M594-F596 PolarHBondContact O-N 3.21Å; M594-A597 PolarHBondContact O-N 2.95Å; M594-Q598 WeakPolarHBondContact O-CG 3.1Å; M594-Q598 PolarHBondContact O-N 3.45Å; M594-L604 HydrophobicContact CG-CD1 3.9Å |
| 595 | A | 90.9 | Very high | 89.3 | Confident | 38 Ų | 38 | 49 Ų | 49 | 31% | 0.314 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.4 | -34.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T591 E592 R599 | T591-A595 WeakPolarHBondContact O-CB 3.12Å; T591-A595 PolarHBondContact O-N 2.87Å; E592-A595 PolarHBondContact O-N 2.82Å; A595-R599 WeakPolarHBondContact O-CG 3.18Å; A595-R599 PolarHBondContact O-N 2.93Å; A595-R599 VanDerWaalsContact O-N 3.16Å; A595-R599 PolarHBondContact O-NE 2.91Å |
| 596 | F | 91.8 | Very high | 88.7 | Confident | 21 Ų | 21 | 47.5 Ų | 47.5 | 9% | 0.092 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.9 | -45.8 | 172.2 | -176.3 | -96.6 | 0 | 0 | 0 | 112.2 | E592 A593 M594 Q598 R599 L600 K617 F618 Y624 | E592-F596 WeakPolarHBondContact O-CB 3.43Å; E592-F596 PolarHBondContact O-N 2.85Å; A593-F596 PolarHBondContact O-N 2.81Å; M594-F596 VanDerWaalsContact C-N 3.31Å; M594-F596 PolarHBondContact O-N 3.21Å; F596-Q598 VanDerWaalsContact C-N 3.32Å; F596-Q598 PolarHBondContact O-N 3.06Å; F596-R599 WeakPolarHBondContact O-CB 3.35Å; F596-R599 PolarHBondContact O-N 2.86Å; F596-R599 VanDerWaalsContact O-N 3.15Å; F596-L600 HydrophobicContact CD1-CD1 3.9Å; F596-L600 HydrophobicContact CE1-CD1 3.37Å; F596-L600 HydrophobicContact CE1-CG 4.23Å; F596-L600 HydrophobicContact CZ-CD1 3.93Å; F596-L600 PolarHBondContact O-N 3.07Å; F596-L600 VanDerWaalsContact O-N 3.14Å; F596-K617 HydrophobicContact CE1-CB 4.07Å; F596-K617 HydrophobicContact CZ-CB 4.33Å; F596-F618 HydrophobicContact CB-CD2 3.71Å; F596-F618 HydrophobicContact CB-CE2 4.15Å; F596-F618 HydrophobicContact CD1-CB 3.9Å; F596-F618 AromaticContact CD1-CD2 3.96Å; F596-F618 HydrophobicContact CD1-CD2 3.96Å; F596-F618 HydrophobicContact CD1-CG 4.43Å; F596-F618 HydrophobicContact CD2-CD2 4.24Å; F596-F618 HydrophobicContact CE1-CB 4Å; F596-F618 AromaticContact CG-CD2 3.73Å; F596-F618 HydrophobicContact CG-CD2 3.73Å; F596-Y624 HydrophobicContact CD2-CD2 4.15Å; F596-Y624 AromaticContact CD2-CE2 3.76Å; F596-Y624 HydrophobicContact CD2-CE2 3.76Å; F596-Y624 HydrophobicContact CE2-CD2 4.45Å; F596-Y624 HydrophobicContact CE2-CE2 4.27Å |
| 597 | A | 91.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A593 M594 R599 L600 N601 E602 L604 V614 | A593-A597 WeakPolarHBondContact O-CB 3.21Å; A593-A597 PolarHBondContact O-N 3.49Å; M594-A597 PolarHBondContact O-N 2.95Å; A597-R599 VanDerWaalsContact C-N 3.33Å; A597-R599 PolarHBondContact O-N 3.32Å; A597-L600 CarbonylContact O-C 3.6Å; A597-L600 WeakPolarHBondContact O-CA 3.43Å; A597-L600 PolarHBondContact O-N 2.91Å; A597-N601 PolarHBondContact O-N 3.45Å; A597-E602 CarbonylContact C-O 3.52Å; A597-E602 VanDerWaalsContact C-O 3.3Å; A597-E602 PolarHBondContact O-N 2.94Å; A597-E602 VanDerWaalsContact O-O 3.1Å; A597-L604 HydrophobicContact CB-CG 4.27Å; A597-V614 HydrophobicContact CB-CG1 3.86Å |
| 598 | Q | 91.8 | Very high | 88.8 | Confident | 142 Ų | 142 | 53 Ų | 53 | 66% | 0.664 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -60 | -39.9 | 175.5 | -74.7 | 175.6 | -3.4 | 0 | 0 | 112.5 | M594 F596 L600 N601 | M594-Q598 WeakPolarHBondContact O-CG 3.1Å; M594-Q598 PolarHBondContact O-N 3.45Å; F596-Q598 VanDerWaalsContact C-N 3.32Å; F596-Q598 PolarHBondContact O-N 3.06Å; Q598-L600 PolarHBondContact O-N 3.33Å; Q598-N601 PolarHBondContact O-N 2.84Å |
| 599 | R | 90.8 | Very high | 88.6 | Confident | 129 Ų | 129 | 61.9 Ų | 61.9 | 49% | 0.487 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.8 | -27.6 | 174.8 | -77.7 | 179.8 | -71.7 | 171.1 | -0 | 113.3 | A595 F596 A597 N601 Y624 | A595-R599 WeakPolarHBondContact O-CG 3.18Å; A595-R599 PolarHBondContact O-N 2.93Å; A595-R599 VanDerWaalsContact O-N 3.16Å; A595-R599 PolarHBondContact O-NE 2.91Å; F596-R599 WeakPolarHBondContact O-CB 3.35Å; F596-R599 PolarHBondContact O-N 2.86Å; F596-R599 VanDerWaalsContact O-N 3.15Å; A597-R599 VanDerWaalsContact C-N 3.33Å; A597-R599 PolarHBondContact O-N 3.32Å; R599-N601 VanDerWaalsContact C-N 3.28Å; R599-Y624 PolarHBondContact NH1-OH 3.41Å; R599-Y624 PolarHBondContact NH2-OH 3.14Å |
| 600 | L | 90.6 | Very high | 88.5 | Confident | 73 Ų | 73 | 67.4 Ų | 67.4 | 38% | 0.382 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 2.2 | 173.3 | -66.5 | 178.2 | 0 | 0 | 0 | 113.2 | F596 A597 Q598 E602 K617 | F596-L600 HydrophobicContact CD1-CD1 3.9Å; F596-L600 HydrophobicContact CE1-CD1 3.37Å; F596-L600 HydrophobicContact CE1-CG 4.23Å; F596-L600 HydrophobicContact CZ-CD1 3.93Å; F596-L600 PolarHBondContact O-N 3.07Å; F596-L600 VanDerWaalsContact O-N 3.14Å; A597-L600 CarbonylContact O-C 3.6Å; A597-L600 WeakPolarHBondContact O-CA 3.43Å; A597-L600 PolarHBondContact O-N 2.91Å; Q598-L600 PolarHBondContact O-N 3.33Å; L600-E602 HydrophobicContact CB-CB 4.33Å; L600-E602 HydrophobicContact CB-CG 4.25Å; L600-E602 PolarHBondContact O-N 2.96Å; L600-K617 HydrophobicContact CD1-CD 4.33Å |
| 601 | N | 89.8 | Confident | 88.2 | Confident | 155 Ų | 155 | 67.4 Ų | 67.4 | 83% | 0.829 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 30.3 | -168.5 | -65.9 | -35.1 | 0 | 0 | 0 | 113.4 | A597 Q598 R599 | A597-N601 PolarHBondContact O-N 3.45Å; Q598-N601 PolarHBondContact O-N 2.84Å; R599-N601 VanDerWaalsContact C-N 3.28Å |
| 602 | E | 88.9 | Confident | 88.1 | Confident | 68 Ų | 68 | 67.9 Ų | 67.9 | 32% | 0.318 | 33% | 0.327 | S | S | . | . | trans | -114.3 | 172.1 | 178.9 | -71.8 | -71.8 | -172.4 | 0 | 0 | 111.2 | A597 L600 Q606 V614 | A597-E602 CarbonylContact C-O 3.52Å; A597-E602 VanDerWaalsContact C-O 3.3Å; A597-E602 PolarHBondContact O-N 2.94Å; A597-E602 VanDerWaalsContact O-O 3.1Å; L600-E602 HydrophobicContact CB-CB 4.33Å; L600-E602 HydrophobicContact CB-CG 4.25Å; L600-E602 PolarHBondContact O-N 2.96Å; E602-Q606 PolarHBondContact OE2-NE2 3.35Å; E602-Q606 PolarHBondContact OE2-OE1 3.17Å; E602-V614 HydrophobicContact CB-CG2 3.9Å; E602-V614 HydrophobicContact CG-CG2 4.26Å | ||
| 603 | S | 87.1 | Confident | 88.1 | Confident | 47 Ų | 47 | 68.6 Ų | 68.6 | 33% | 0.329 | 33% | 0.331 | S | S | . | . | trans | -134.5 | 141.3 | 175.3 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | V605 Q606 | S603-V605 PolarHBondContact O-N 2.97Å; S603-V605 PolarHBondContact OG-N 3.38Å; S603-V605 VanDerWaalsContact OG-N 3.08Å; S603-Q606 VanDerWaalsContact N-NE2 3.16Å; S603-Q606 VanDerWaalsContact O-CG 3.31Å; S603-Q606 WeakPolarHBondContact O-CG 3.23Å | ||
| 604 | L | 85.3 | Confident | 88.1 | Confident | 5 Ų | 5 | 68.7 Ų | 68.7 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -72 | -20.5 | 172.3 | -73.3 | 161.7 | 0 | 0 | 0 | 112 | I561 N562 A593 M594 A597 Q606 A611 V614 L615 | I561-L604 HydrophobicContact CG2-CD2 4.3Å; N562-L604 WeakPolarHBondContact CA-O 3.46Å; N562-L604 WeakPolarHBondContact CB-O 3.48Å; A593-L604 HydrophobicContact CB-CD1 3.97Å; M594-L604 HydrophobicContact CG-CD1 3.9Å; A597-L604 HydrophobicContact CB-CG 4.27Å; L604-Q606 PolarHBondContact O-N 2.84Å; L604-A611 WeakPolarHBondContact O-CB 3.16Å; L604-V614 HydrophobicContact CD2-CB 4.46Å; L604-V614 HydrophobicContact CD2-CG1 4.2Å; L604-L615 HydrophobicContact CD2-CD2 4Å; L604-L615 HydrophobicContact CD2-CG 3.95Å |
| 605 | V | 83.2 | Confident | 88 | Confident | 59 Ų | 59 | 66.6 Ų | 66.6 | 36% | 0.358 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -90.4 | 57.9 | 175.5 | -168.6 | 0 | 0 | 0 | 0 | 109.3 | R564 S603 | R564-V605 HydrophobicContact CB-CG1 3.81Å; R564-V605 HydrophobicContact CB-CG2 4.35Å; R564-V605 HydrophobicContact CG-CG1 4.38Å; S603-V605 PolarHBondContact O-N 2.97Å; S603-V605 PolarHBondContact OG-N 3.38Å; S603-V605 VanDerWaalsContact OG-N 3.08Å |
| 606 | Q | 76 | Confident | 88 | Confident | 50 Ų | 50 | 67.4 Ų | 67.4 | 23% | 0.234 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -123.7 | -164.1 | 174.4 | -71.5 | -170.7 | 29.7 | 0 | 0 | 110 | N562 E602 S603 L604 R610 | N562-Q606 WeakPolarHBondContact CB-O 3.34Å; N562-Q606 PolarHBondContact ND2-O 3.02Å; N562-Q606 VanDerWaalsContact ND2-O 3.08Å; E602-Q606 PolarHBondContact OE2-NE2 3.35Å; E602-Q606 PolarHBondContact OE2-OE1 3.17Å; S603-Q606 VanDerWaalsContact N-NE2 3.16Å; S603-Q606 VanDerWaalsContact O-CG 3.31Å; S603-Q606 WeakPolarHBondContact O-CG 3.23Å; L604-Q606 PolarHBondContact O-N 2.84Å; Q606-R610 HydrophobicContact CB-CB 4.28Å; Q606-R610 VanDerWaalsContact OE1-NH1 3.12Å |
| 607 | E | 84.3 | Confident | 88 | Confident | 121 Ų | 121 | 71.6 Ų | 71.6 | 57% | 0.565 | 34% | 0.343 | S | S | * | . | trans | -54 | 141 | 169.6 | -69.6 | 178.2 | 178.4 | 0 | 0 | 111.2 | R609 R610 A611 | E607-R609 PolarHBondContact O-N 3.1Å; E607-R610 HydrophobicContact CB-CG 4.48Å; E607-R610 PolarHBondContact O-N 3.16Å; E607-A611 PolarHBondContact O-N 3.44Å; E607-A611 VanDerWaalsContact O-N 3.09Å | ||
| 608 | P | 84.1 | Confident | 88 | Confident | 57 Ų | 57 | 71.6 Ų | 71.6 | 37% | 0.37 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -51.3 | -37.9 | -176.6 | -27.1 | 31.6 | 0 | 0 | 0 | 114.2 | E612 | P608-E612 WeakPolarHBondContact O-CB 3.26Å; P608-E612 PolarHBondContact O-N 3.25Å |
| 609 | R | 86.1 | Confident | 87.9 | Confident | 187 Ų | 187 | 65.7 Ų | 65.7 | 71% | 0.706 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -67.1 | -36.3 | 178.6 | -69 | -175.1 | 179.6 | -177.6 | 0.1 | 113 | E607 M613 | E607-R609 PolarHBondContact O-N 3.1Å; R609-M613 WeakPolarHBondContact O-CB 2.95Å; R609-M613 PolarHBondContact O-N 3.09Å |
| 610 | R | 87.3 | Confident | 87.8 | Confident | 117 Ų | 117 | 63.2 Ų | 63.2 | 44% | 0.442 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -73.7 | -41.6 | 177.8 | -67.8 | -173.1 | -172 | -177.2 | 1.3 | 111 | Q606 E607 E612 M613 V614 | Q606-R610 HydrophobicContact CB-CB 4.28Å; Q606-R610 VanDerWaalsContact OE1-NH1 3.12Å; E607-R610 HydrophobicContact CB-CG 4.48Å; E607-R610 PolarHBondContact O-N 3.16Å; R610-E612 VanDerWaalsContact C-N 3.31Å; R610-E612 PolarHBondContact O-N 3.16Å; R610-M613 PolarHBondContact O-N 3.18Å; R610-V614 WeakPolarHBondContact O-CG2 3.3Å; R610-V614 PolarHBondContact O-N 2.76Å |
| 611 | A | 87.6 | Confident | 87.6 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.008 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.8 | -44.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N562 L604 E607 M613 V614 L615 | N562-A611 HydrophobicContact CB-CB 4.15Å; L604-A611 WeakPolarHBondContact O-CB 3.16Å; E607-A611 PolarHBondContact O-N 3.44Å; E607-A611 VanDerWaalsContact O-N 3.09Å; A611-M613 PolarHBondContact O-N 3.45Å; A611-V614 PolarHBondContact O-N 2.77Å; A611-L615 PolarHBondContact O-N 2.69Å |
| 612 | E | 88.5 | Confident | 87.1 | Confident | 41 Ų | 41 | 59.6 Ų | 59.6 | 19% | 0.192 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59 | -43.9 | 173.5 | 171.9 | 169.9 | -134.1 | 0 | 0 | 112.3 | P608 R610 V614 L615 S616 L638 R639 | P608-E612 WeakPolarHBondContact O-CB 3.26Å; P608-E612 PolarHBondContact O-N 3.25Å; R610-E612 VanDerWaalsContact C-N 3.31Å; R610-E612 PolarHBondContact O-N 3.16Å; E612-V614 PolarHBondContact O-N 3.03Å; E612-L615 PolarHBondContact O-N 2.92Å; E612-S616 WeakPolarHBondContact O-CB 3.37Å; E612-S616 PolarHBondContact O-N 3.47Å; E612-S616 PolarHBondContact O-OG 2.88Å; E612-L638 HydrophobicContact CG-CB 4.17Å; E612-L638 PolarHBondContact OE1-N 2.99Å; E612-R639 HydrophobicContact CB-CG 4.28Å; E612-R639 IonicContact OE1-NE 2.73Å; E612-R639 IonicContact OE2-CZ 2.8Å; E612-R639 IonicContact OE2-NE 2.81Å; E612-R639 PolarHBondContact OE2-NE 2.95Å; E612-R639 IonicContact OE2-NH2 3.21Å; E612-R639 PolarHBondContact OE2-NH2 3.13Å |
| 613 | M | 89.2 | Confident | 86.6 | Confident | 82 Ų | 82 | 60.6 Ų | 60.6 | 40% | 0.404 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 176.3 | 178.9 | -178.7 | 55.7 | 0 | 0 | 113.2 | R609 R610 A611 S616 K617 | R609-M613 WeakPolarHBondContact O-CB 2.95Å; R609-M613 PolarHBondContact O-N 3.09Å; R610-M613 PolarHBondContact O-N 3.18Å; A611-M613 PolarHBondContact O-N 3.45Å; M613-S616 WeakPolarHBondContact CA-OG 3.35Å; M613-S616 PolarHBondContact O-OG 3.43Å; M613-K617 WeakPolarHBondContact O-CG 3.09Å; M613-K617 PolarHBondContact O-N 2.9Å |
| 614 | V | 91.7 | Very high | 86.5 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.024 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.9 | -44.1 | 175.6 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | A597 E602 L604 R610 A611 E612 K617 F618 | A597-V614 HydrophobicContact CB-CG1 3.86Å; E602-V614 HydrophobicContact CB-CG2 3.9Å; E602-V614 HydrophobicContact CG-CG2 4.26Å; L604-V614 HydrophobicContact CD2-CB 4.46Å; L604-V614 HydrophobicContact CD2-CG1 4.2Å; R610-V614 WeakPolarHBondContact O-CG2 3.3Å; R610-V614 PolarHBondContact O-N 2.76Å; A611-V614 PolarHBondContact O-N 2.77Å; E612-V614 PolarHBondContact O-N 3.03Å; V614-K617 PolarHBondContact O-N 2.97Å; V614-F618 PolarHBondContact O-N 3.4Å |
| 615 | L | 90.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 175.5 | -79.3 | -172.5 | 0 | 0 | 0 | 112.7 | I561 W589 A593 L604 A611 E612 K617 F618 F619 L638 | I561-L615 HydrophobicContact CB-CD1 4.22Å; I561-L615 HydrophobicContact CD1-CD1 4.26Å; I561-L615 HydrophobicContact CG1-CD1 3.83Å; I561-L615 HydrophobicContact CG2-CD1 3.49Å; I561-L615 VanDerWaalsContact CG2-CD1 3.49Å; I561-L615 HydrophobicContact CG2-CG 4.23Å; W589-L615 HydrophobicContact CZ3-CD2 4.06Å; A593-L615 HydrophobicContact CB-CD2 4.25Å; L604-L615 HydrophobicContact CD2-CD2 4Å; L604-L615 HydrophobicContact CD2-CG 3.95Å; A611-L615 PolarHBondContact O-N 2.69Å; E612-L615 PolarHBondContact O-N 2.92Å; L615-K617 VanDerWaalsContact C-N 3.27Å; L615-K617 PolarHBondContact O-N 3.34Å; L615-F618 WeakPolarHBondContact O-CB 3.47Å; L615-F618 PolarHBondContact O-N 2.85Å; L615-F618 VanDerWaalsContact O-N 3.12Å; L615-F619 HydrophobicContact CB-CD2 4.34Å; L615-F619 HydrophobicContact CB-CE2 4.05Å; L615-F619 HydrophobicContact CD1-CE2 4.4Å; L615-F619 HydrophobicContact CD2-CE2 4.13Å; L615-F619 HydrophobicContact CD2-CZ 4.35Å; L615-F619 HydrophobicContact CG-CE2 4.44Å; L615-F619 WeakPolarHBondContact O-CD2 3.48Å; L615-F619 PolarHBondContact O-N 3Å; L615-L638 HydrophobicContact CB-CD1 4.26Å; L615-L638 HydrophobicContact CD1-CB 4.43Å |
| 616 | S | 90.9 | Very high | 85.9 | Confident | 55 Ų | 55 | 62 Ų | 62 | 39% | 0.385 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.7 | -37.1 | 177.2 | 70.9 | 0 | 0 | 0 | 0 | 111.4 | E612 M613 A620 | E612-S616 WeakPolarHBondContact O-CB 3.37Å; E612-S616 PolarHBondContact O-N 3.47Å; E612-S616 PolarHBondContact O-OG 2.88Å; M613-S616 WeakPolarHBondContact CA-OG 3.35Å; M613-S616 PolarHBondContact O-OG 3.43Å; S616-A620 VanDerWaalsContact O-CB 3.24Å; S616-A620 WeakPolarHBondContact O-CB 3.36Å; S616-A620 PolarHBondContact O-N 3.18Å; S616-A620 VanDerWaalsContact O-N 3.1Å |
| 617 | K | 92 | Very high | 86.2 | Confident | 110 Ų | 110 | 60.3 Ų | 60.3 | 48% | 0.478 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.9 | -37.7 | 172.6 | -73 | 178 | -179.1 | 179.3 | 0 | 112.5 | F596 L600 M613 V614 L615 A620 D621 | F596-K617 HydrophobicContact CE1-CB 4.07Å; F596-K617 HydrophobicContact CZ-CB 4.33Å; L600-K617 HydrophobicContact CD1-CD 4.33Å; M613-K617 WeakPolarHBondContact O-CG 3.09Å; M613-K617 PolarHBondContact O-N 2.9Å; V614-K617 PolarHBondContact O-N 2.97Å; L615-K617 VanDerWaalsContact C-N 3.27Å; L615-K617 PolarHBondContact O-N 3.34Å; K617-A620 PolarHBondContact O-N 3.45Å; K617-D621 PolarHBondContact O-N 2.95Å |
| 618 | F | 91.7 | Very high | 86.2 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.3 | -51.5 | 176.5 | 176.7 | -104.5 | 0 | 0 | 0 | 110.9 | E592 A593 F596 V614 L615 A620 D621 Y624 Y627 | E592-F618 HydrophobicContact CB-CE2 4.06Å; E592-F618 HydrophobicContact CB-CZ 3.94Å; A593-F618 HydrophobicContact CB-CD1 4.27Å; A593-F618 HydrophobicContact CB-CD2 4.31Å; A593-F618 HydrophobicContact CB-CE1 4.11Å; A593-F618 HydrophobicContact CB-CE2 4.14Å; A593-F618 HydrophobicContact CB-CG 4.36Å; A593-F618 HydrophobicContact CB-CZ 4.03Å; F596-F618 HydrophobicContact CB-CD2 3.71Å; F596-F618 HydrophobicContact CB-CE2 4.15Å; F596-F618 HydrophobicContact CD1-CB 3.9Å; F596-F618 AromaticContact CD1-CD2 3.96Å; F596-F618 HydrophobicContact CD1-CD2 3.96Å; F596-F618 HydrophobicContact CD1-CG 4.43Å; F596-F618 HydrophobicContact CD2-CD2 4.24Å; F596-F618 HydrophobicContact CE1-CB 4Å; F596-F618 AromaticContact CG-CD2 3.73Å; F596-F618 HydrophobicContact CG-CD2 3.73Å; V614-F618 PolarHBondContact O-N 3.4Å; L615-F618 WeakPolarHBondContact O-CB 3.47Å; L615-F618 PolarHBondContact O-N 2.85Å; L615-F618 VanDerWaalsContact O-N 3.12Å; F618-A620 VanDerWaalsContact C-N 3.28Å; F618-A620 PolarHBondContact O-N 3.27Å; F618-D621 PolarHBondContact O-N 3.37Å; F618-Y624 HydrophobicContact CD2-CD1 4.25Å; F618-Y624 AromaticContact CD2-CD2 3.72Å; F618-Y624 HydrophobicContact CD2-CD2 3.72Å; F618-Y624 HydrophobicContact CD2-CE2 4.43Å; F618-Y624 AromaticContact CD2-CG 3.65Å; F618-Y624 HydrophobicContact CD2-CG 3.65Å; F618-Y624 HydrophobicContact CE1-CG 4.47Å; F618-Y624 AromaticContact CE2-CD1 3.36Å; F618-Y624 HydrophobicContact CE2-CD1 3.36Å; F618-Y624 AromaticContact CE2-CD2 3.68Å; F618-Y624 HydrophobicContact CE2-CD2 3.68Å; F618-Y624 AromaticContact CE2-CE1 3.98Å; F618-Y624 HydrophobicContact CE2-CE1 3.98Å; F618-Y624 HydrophobicContact CE2-CE2 4.28Å; F618-Y624 AromaticContact CE2-CG 3.2Å; F618-Y624 HydrophobicContact CE2-CG 3.2Å; F618-Y624 HydrophobicContact CG-CG 4.47Å; F618-Y624 AromaticContact CZ-CD1 3.69Å; F618-Y624 HydrophobicContact CZ-CD1 3.69Å; F618-Y624 AromaticContact CZ-CG 3.69Å; F618-Y624 HydrophobicContact CZ-CG 3.69Å; F618-Y624 WeakPolarHBondContact O-CB 3.45Å; F618-Y627 HydrophobicContact CE1-CD2 4.17Å; F618-Y627 HydrophobicContact CE1-CG 4.49Å; F618-Y627 AromaticContact CZ-CD2 3.82Å; F618-Y627 HydrophobicContact CZ-CD2 3.82Å; F618-Y627 HydrophobicContact CZ-CE2 4.44Å; F618-Y627 HydrophobicContact CZ-CG 4.5Å |
| 619 | F | 89.1 | Confident | 85.9 | Confident | 18 Ų | 18 | 57.2 Ų | 57.2 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.7 | -19.4 | 179.8 | -62.6 | -54.3 | 0 | 0 | 0 | 114.2 | L615 D621 L628 I631 F633 L638 | L615-F619 HydrophobicContact CB-CD2 4.34Å; L615-F619 HydrophobicContact CB-CE2 4.05Å; L615-F619 HydrophobicContact CD1-CE2 4.4Å; L615-F619 HydrophobicContact CD2-CE2 4.13Å; L615-F619 HydrophobicContact CD2-CZ 4.35Å; L615-F619 HydrophobicContact CG-CE2 4.44Å; L615-F619 WeakPolarHBondContact O-CD2 3.48Å; L615-F619 PolarHBondContact O-N 3Å; F619-D621 VanDerWaalsContact C-N 3.32Å; F619-L628 HydrophobicContact CB-CD1 4.48Å; F619-L628 HydrophobicContact CD1-CB 4Å; F619-L628 HydrophobicContact CD1-CD1 4.15Å; F619-L628 HydrophobicContact CD2-CD1 4.01Å; F619-L628 HydrophobicContact CE1-CB 4.35Å; F619-L628 HydrophobicContact CE1-CD1 4.4Å; F619-L628 HydrophobicContact CE2-CD1 4.26Å; F619-L628 HydrophobicContact CG-CB 4.5Å; F619-L628 HydrophobicContact CG-CD1 3.97Å; F619-L628 HydrophobicContact CZ-CD1 4.47Å; F619-I631 HydrophobicContact CZ-CD1 3.81Å; F619-F633 HydrophobicContact CE2-CZ 4.08Å; F619-F633 HydrophobicContact CZ-CZ 4.4Å; F619-L638 HydrophobicContact CD2-CD1 4.24Å; F619-L638 HydrophobicContact CE2-CD2 4.48Å |
| 620 | A | 89.1 | Confident | 85.8 | Confident | 77 Ų | 77 | 48.4 Ų | 48.4 | 64% | 0.636 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -76.8 | -16.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S616 K617 F618 | S616-A620 VanDerWaalsContact O-CB 3.24Å; S616-A620 WeakPolarHBondContact O-CB 3.36Å; S616-A620 PolarHBondContact O-N 3.18Å; S616-A620 VanDerWaalsContact O-N 3.1Å; K617-A620 PolarHBondContact O-N 3.45Å; F618-A620 VanDerWaalsContact C-N 3.28Å; F618-A620 PolarHBondContact O-N 3.27Å |
| 621 | D | 85.9 | Confident | 85.8 | Confident | 38 Ų | 38 | 43.3 Ų | 43.3 | 20% | 0.203 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -81.4 | 120.9 | 173.8 | -172.2 | -32.5 | 0 | 0 | 0 | 109.2 | K617 F618 F619 R623 Y624 Q625 | K617-D621 PolarHBondContact O-N 2.95Å; F618-D621 PolarHBondContact O-N 3.37Å; F619-D621 VanDerWaalsContact C-N 3.32Å; D621-R623 PolarHBondContact O-N 3.2Å; D621-R623 VanDerWaalsContact OD1-CB 3.29Å; D621-R623 WeakPolarHBondContact OD1-CB 3.45Å; D621-R623 WeakPolarHBondContact OD1-CG 3.48Å; D621-R623 PolarHBondContact OD1-N 3.4Å; D621-R623 IonicContact OD1-NE 3.81Å; D621-R623 PolarHBondContact OD1-NE 2.98Å; D621-R623 VanDerWaalsContact OD1-NE 3.13Å; D621-R623 IonicContact OD2-CZ 2.81Å; D621-R623 IonicContact OD2-NE 3.53Å; D621-R623 PolarHBondContact OD2-NE 3.25Å; D621-R623 VanDerWaalsContact OD2-NE 3.15Å; D621-R623 IonicContact OD2-NH2 3.57Å; D621-R623 PolarHBondContact OD2-NH2 3.01Å; D621-Y624 HydrophobicContact CB-CD2 3.98Å; D621-Y624 PolarHBondContact O-N 2.99Å; D621-Q625 PolarHBondContact O-N 2.96Å |
| 622 | N | 80.1 | Confident | 85.7 | Confident | 113 Ų | 113 | 43.5 Ų | 43.5 | 60% | 0.604 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -26.6 | 179.7 | -70.4 | 1.3 | 0 | 0 | 0 | 113.1 | Y624 | N622-Y624 VanDerWaalsContact C-N 3.3Å; N622-Y624 PolarHBondContact O-N 2.83Å |
| 623 | R | 78.9 | Confident | 85.7 | Confident | 89 Ų | 89 | 43.7 Ų | 43.7 | 34% | 0.336 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -29.9 | 176.8 | -63.5 | 178.8 | -65.5 | 179.8 | -0 | 112.9 | F191 D621 H626 | F191-R623 HydrophobicContact CZ-CG 4.44Å; D621-R623 PolarHBondContact O-N 3.2Å; D621-R623 VanDerWaalsContact OD1-CB 3.29Å; D621-R623 WeakPolarHBondContact OD1-CB 3.45Å; D621-R623 WeakPolarHBondContact OD1-CG 3.48Å; D621-R623 PolarHBondContact OD1-N 3.4Å; D621-R623 IonicContact OD1-NE 3.81Å; D621-R623 PolarHBondContact OD1-NE 2.98Å; D621-R623 VanDerWaalsContact OD1-NE 3.13Å; D621-R623 IonicContact OD2-CZ 2.81Å; D621-R623 IonicContact OD2-NE 3.53Å; D621-R623 PolarHBondContact OD2-NE 3.25Å; D621-R623 VanDerWaalsContact OD2-NE 3.15Å; D621-R623 IonicContact OD2-NH2 3.57Å; D621-R623 PolarHBondContact OD2-NH2 3.01Å; R623-H626 PolarHBondContact O-CE1 3.14Å; R623-H626 PolarHBondContact O-ND1 3.33Å; R623-H626 VanDerWaalsContact O-ND1 3.12Å |
| 624 | Y | 84.1 | Confident | 85.5 | Confident | 22 Ų | 22 | 45.7 Ų | 45.7 | 9% | 0.086 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -8.1 | -172.9 | -59.3 | -60.9 | 0 | 0 | 0 | 113.7 | E592 F596 R599 F618 D621 N622 H626 Y627 | E592-Y624 HydrophobicContact CB-CD1 4.35Å; E592-Y624 HydrophobicContact CB-CE1 4.2Å; F596-Y624 HydrophobicContact CD2-CD2 4.15Å; F596-Y624 AromaticContact CD2-CE2 3.76Å; F596-Y624 HydrophobicContact CD2-CE2 3.76Å; F596-Y624 HydrophobicContact CE2-CD2 4.45Å; F596-Y624 HydrophobicContact CE2-CE2 4.27Å; R599-Y624 PolarHBondContact NH1-OH 3.41Å; R599-Y624 PolarHBondContact NH2-OH 3.14Å; F618-Y624 HydrophobicContact CD2-CD1 4.25Å; F618-Y624 AromaticContact CD2-CD2 3.72Å; F618-Y624 HydrophobicContact CD2-CD2 3.72Å; F618-Y624 HydrophobicContact CD2-CE2 4.43Å; F618-Y624 AromaticContact CD2-CG 3.65Å; F618-Y624 HydrophobicContact CD2-CG 3.65Å; F618-Y624 HydrophobicContact CE1-CG 4.47Å; F618-Y624 AromaticContact CE2-CD1 3.36Å; F618-Y624 HydrophobicContact CE2-CD1 3.36Å; F618-Y624 AromaticContact CE2-CD2 3.68Å; F618-Y624 HydrophobicContact CE2-CD2 3.68Å; F618-Y624 AromaticContact CE2-CE1 3.98Å; F618-Y624 HydrophobicContact CE2-CE1 3.98Å; F618-Y624 HydrophobicContact CE2-CE2 4.28Å; F618-Y624 AromaticContact CE2-CG 3.2Å; F618-Y624 HydrophobicContact CE2-CG 3.2Å; F618-Y624 HydrophobicContact CG-CG 4.47Å; F618-Y624 AromaticContact CZ-CD1 3.69Å; F618-Y624 HydrophobicContact CZ-CD1 3.69Å; F618-Y624 AromaticContact CZ-CG 3.69Å; F618-Y624 HydrophobicContact CZ-CG 3.69Å; F618-Y624 WeakPolarHBondContact O-CB 3.45Å; D621-Y624 HydrophobicContact CB-CD2 3.98Å; D621-Y624 PolarHBondContact O-N 2.99Å; N622-Y624 VanDerWaalsContact C-N 3.3Å; N622-Y624 PolarHBondContact O-N 2.83Å; Y624-H626 PolarHBondContact O-N 3.04Å; Y624-H626 VanDerWaalsContact O-N 3.1Å; Y624-Y627 HydrophobicContact CD1-CD2 4.21Å; Y624-Y627 HydrophobicContact CD1-CE2 4.09Å; Y624-Y627 WeakPolarHBondContact O-CB 3.49Å; Y624-Y627 PolarHBondContact O-N 3.47Å |
| 625 | Q | 81.4 | Confident | 84.9 | Confident | 90 Ų | 90 | 48.3 Ų | 48.3 | 42% | 0.421 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -51.5 | -35.5 | -179.8 | -172.2 | -177.4 | 4.9 | 0 | 0 | 113.2 | D621 Y627 L628 | D621-Q625 PolarHBondContact O-N 2.96Å; Q625-Y627 PolarHBondContact O-N 3.28Å; Q625-L628 WeakPolarHBondContact O-CB 3.36Å; Q625-L628 PolarHBondContact O-N 3.26Å |
| 626 | H | 74.9 | Confident | 84.2 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 13% | 0.134 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -59.3 | -31.1 | 179.9 | 65.3 | -86.4 | 0 | 0 | 0 | 114 | F84 R623 Y624 L628 S629 | F84-H626 HydrophobicContact CB-CB 3.66Å; F84-H626 HydrophobicContact CD1-CB 3.55Å; F84-H626 HydrophobicContact CD2-CB 3.57Å; F84-H626 HydrophobicContact CE1-CB 4.02Å; F84-H626 HydrophobicContact CE2-CB 4.05Å; F84-H626 HydrophobicContact CG-CB 3.29Å; F84-H626 HydrophobicContact CZ-CB 4.25Å; R623-H626 PolarHBondContact O-CE1 3.14Å; R623-H626 PolarHBondContact O-ND1 3.33Å; R623-H626 VanDerWaalsContact O-ND1 3.12Å; Y624-H626 PolarHBondContact O-N 3.04Å; Y624-H626 VanDerWaalsContact O-N 3.1Å; H626-L628 PolarHBondContact O-N 2.99Å; H626-S629 PolarHBondContact O-N 3.01Å; H626-S629 PolarHBondContact O-OG 3.47Å |
| 627 | Y | 83.3 | Confident | 83.7 | Confident | 14 Ų | 14 | 55.6 Ų | 55.6 | 6% | 0.055 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -66.3 | -14.2 | 176.5 | -72.9 | -62.3 | 0 | 0 | 0 | 113.4 | E587 W589 E592 F618 Y624 Q625 S629 D630 | E587-Y627 HydrophobicContact CB-CE1 4.16Å; W589-Y627 HydrophobicContact CB-CD1 3.48Å; W589-Y627 VanDerWaalsContact CB-CD1 3.48Å; W589-Y627 HydrophobicContact CB-CE1 4.2Å; W589-Y627 HydrophobicContact CB-CG 3.68Å; E592-Y627 HydrophobicContact CB-CE2 4.12Å; E592-Y627 HydrophobicContact CG-CE2 3.9Å; F618-Y627 HydrophobicContact CE1-CD2 4.17Å; F618-Y627 HydrophobicContact CE1-CG 4.49Å; F618-Y627 AromaticContact CZ-CD2 3.82Å; F618-Y627 HydrophobicContact CZ-CD2 3.82Å; F618-Y627 HydrophobicContact CZ-CE2 4.44Å; F618-Y627 HydrophobicContact CZ-CG 4.5Å; Y624-Y627 HydrophobicContact CD1-CD2 4.21Å; Y624-Y627 HydrophobicContact CD1-CE2 4.09Å; Y624-Y627 WeakPolarHBondContact O-CB 3.49Å; Y624-Y627 PolarHBondContact O-N 3.47Å; Q625-Y627 PolarHBondContact O-N 3.28Å; Y627-S629 PolarHBondContact O-N 3.44Å; Y627-D630 WeakPolarHBondContact CD1-OD2 3.25Å; Y627-D630 WeakPolarHBondContact O-CB 3.15Å; Y627-D630 PolarHBondContact O-N 3.31Å |
| 628 | L | 83 | Confident | 83.4 | Confident | 80 Ų | 80 | 51.9 Ų | 51.9 | 42% | 0.419 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -60.4 | -35.5 | 173.8 | -172.5 | 67.7 | 0 | 0 | 0 | 111 | F619 Q625 H626 D630 I631 F633 | F619-L628 HydrophobicContact CB-CD1 4.48Å; F619-L628 HydrophobicContact CD1-CB 4Å; F619-L628 HydrophobicContact CD1-CD1 4.15Å; F619-L628 HydrophobicContact CD2-CD1 4.01Å; F619-L628 HydrophobicContact CE1-CB 4.35Å; F619-L628 HydrophobicContact CE1-CD1 4.4Å; F619-L628 HydrophobicContact CE2-CD1 4.26Å; F619-L628 HydrophobicContact CG-CB 4.5Å; F619-L628 HydrophobicContact CG-CD1 3.97Å; F619-L628 HydrophobicContact CZ-CD1 4.47Å; Q625-L628 WeakPolarHBondContact O-CB 3.36Å; Q625-L628 PolarHBondContact O-N 3.26Å; H626-L628 PolarHBondContact O-N 2.99Å; L628-D630 PolarHBondContact O-N 2.9Å; L628-I631 PolarHBondContact O-N 3.24Å; L628-F633 HydrophobicContact CD1-CE2 4.09Å |
| 629 | S | 78.2 | Confident | 83 | Confident | 33 Ų | 33 | 56.1 Ų | 56.1 | 23% | 0.231 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -69.1 | -11 | 176.1 | 74.2 | 0 | 0 | 0 | 0 | 113.4 | F79 H626 Y627 | F79-S629 WeakPolarHBondContact CD1-O 3.33Å; F79-S629 WeakPolarHBondContact CE1-O 3.36Å; H626-S629 PolarHBondContact O-N 3.01Å; H626-S629 PolarHBondContact O-OG 3.47Å; Y627-S629 PolarHBondContact O-N 3.44Å |
| 630 | D | 83.2 | Confident | 83 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.011 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -89.5 | -9.5 | -177.7 | -64.2 | 2.5 | 0 | 0 | 0 | 113.3 | Y627 L628 M644 K645 | Y627-D630 WeakPolarHBondContact CD1-OD2 3.25Å; Y627-D630 WeakPolarHBondContact O-CB 3.15Å; Y627-D630 PolarHBondContact O-N 3.31Å; L628-D630 PolarHBondContact O-N 2.9Å; D630-M644 CarbonylContact O-C 3.55Å; D630-M644 VanDerWaalsContact O-CA 3.25Å; D630-M644 WeakPolarHBondContact O-CA 3.21Å; D630-K645 HydrophobicContact CB-CG 3.77Å; D630-K645 PolarHBondContact O-N 3.33Å; D630-K645 WeakPolarHBondContact OD1-CE 3.2Å; D630-K645 IonicContact OD1-NZ 3.81Å; D630-K645 PolarHBondContact OD1-NZ 3.18Å |
| 631 | I | 87.1 | Confident | 83.1 | Confident | 10 Ų | 10 | 53.5 Ų | 53.5 | 5% | 0.051 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 126.3 | -173.7 | -47.8 | 174.6 | 0 | 0 | 0 | 109.7 | W589 F619 L628 F633 A641 | W589-I631 HydrophobicContact CD2-CD1 3.37Å; W589-I631 HydrophobicContact CD2-CG1 4.12Å; W589-I631 HydrophobicContact CE3-CD1 3.75Å; W589-I631 HydrophobicContact CG-CD1 3.78Å; W589-I631 HydrophobicContact CG-CG1 4.11Å; W589-I631 HydrophobicContact CH2-CD1 4.15Å; W589-I631 HydrophobicContact CZ2-CD1 3.81Å; W589-I631 HydrophobicContact CZ2-CG1 4.5Å; W589-I631 HydrophobicContact CZ3-CD1 4.12Å; F619-I631 HydrophobicContact CZ-CD1 3.81Å; L628-I631 PolarHBondContact O-N 3.24Å; I631-F633 HydrophobicContact CB-CE2 3.91Å; I631-F633 HydrophobicContact CB-CZ 3.97Å; I631-F633 HydrophobicContact CD1-CZ 4.07Å; I631-F633 HydrophobicContact CG2-CD1 4.28Å; I631-F633 HydrophobicContact CG2-CD2 4.29Å; I631-F633 HydrophobicContact CG2-CE1 3.86Å; I631-F633 HydrophobicContact CG2-CE2 3.85Å; I631-F633 HydrophobicContact CG2-CG 4.49Å; I631-F633 HydrophobicContact CG2-CZ 3.62Å; I631-A641 HydrophobicContact CG2-CB 3.66Å |
| 632 | G | 87 | Confident | 83.4 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 6% | 0.062 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 113.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | K642 Y643 | G632-K642 WeakPolarHBondContact O-CB 3.41Å; G632-K642 PolarHBondContact O-N 3.06Å; G632-Y643 VanDerWaalsContact CA-CZ 3.47Å; G632-Y643 PolarHBondContact N-O 2.89Å; G632-Y643 PolarHBondContact O-N 3.48Å |
| 633 | F | 87.9 | Confident | 83.9 | Confident | 45 Ų | 45 | 53.6 Ų | 53.6 | 20% | 0.197 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 150.9 | 175.2 | -62.3 | -82.6 | 0 | 0 | 0 | 111.5 | I561 F619 L628 I631 S635 L638 | I561-F633 HydrophobicContact CD1-CE1 4.39Å; F619-F633 HydrophobicContact CE2-CZ 4.08Å; F619-F633 HydrophobicContact CZ-CZ 4.4Å; L628-F633 HydrophobicContact CD1-CE2 4.09Å; I631-F633 HydrophobicContact CB-CE2 3.91Å; I631-F633 HydrophobicContact CB-CZ 3.97Å; I631-F633 HydrophobicContact CD1-CZ 4.07Å; I631-F633 HydrophobicContact CG2-CD1 4.28Å; I631-F633 HydrophobicContact CG2-CD2 4.29Å; I631-F633 HydrophobicContact CG2-CE1 3.86Å; I631-F633 HydrophobicContact CG2-CE2 3.85Å; I631-F633 HydrophobicContact CG2-CG 4.49Å; I631-F633 HydrophobicContact CG2-CZ 3.62Å; F633-S635 WeakPolarHBondContact CB-O 3.18Å; F633-L638 HydrophobicContact CD1-CD2 4.17Å; F633-L638 HydrophobicContact CD2-CD2 3.9Å; F633-L638 HydrophobicContact CE1-CB 4.15Å; F633-L638 HydrophobicContact CE1-CD2 3.85Å; F633-L638 HydrophobicContact CE2-CD2 3.57Å; F633-L638 HydrophobicContact CG-CD2 4.2Å; F633-L638 HydrophobicContact CZ-CD2 3.54Å |
| 634 | E | 84.3 | Confident | 84.4 | Confident | 124 Ų | 124 | 49.4 Ų | 49.4 | 58% | 0.579 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -76.6 | -30.6 | -179.7 | -176.9 | 177.9 | -156 | 0 | 0 | 112.8 | T640 | E634-T640 PolarHBondContact N-O 3.16Å; E634-T640 VanDerWaalsContact N-O 3.07Å; E634-T640 PolarHBondContact OE2-OG1 3.48Å; E634-T640 VanDerWaalsContact OE2-OG1 3.07Å |
| 635 | S | 79.7 | Confident | 84.6 | Confident | 58 Ų | 58 | 49 Ų | 49 | 41% | 0.406 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -142.2 | 176.4 | 179.7 | 60.2 | 0 | 0 | 0 | 0 | 108.9 | F633 S637 | F633-S635 WeakPolarHBondContact CB-O 3.18Å; S635-S637 PolarHBondContact O-N 2.95Å; S635-S637 PolarHBondContact OG-N 3.45Å; S635-S637 PolarHBondContact OG-OG 3.31Å |
| 636 | D | 76.8 | Confident | 85 | Confident | 176 Ų | 176 | 44.7 Ų | 44.7 | 94% | 0.941 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -61.6 | -9.1 | 173.6 | -61.8 | -28.2 | 0 | 0 | 0 | 113.5 | ||
| 637 | S | 80.6 | Confident | 85.6 | Confident | 33 Ų | 33 | 43.6 Ų | 43.6 | 23% | 0.231 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -84.3 | 131.4 | 174 | 72.2 | 0 | 0 | 0 | 0 | 111.6 | S635 R639 | S635-S637 PolarHBondContact O-N 2.95Å; S635-S637 PolarHBondContact OG-N 3.45Å; S635-S637 PolarHBondContact OG-OG 3.31Å; S637-R639 PolarHBondContact O-N 3.15Å |
| 638 | L | 84.5 | Confident | 85.9 | Confident | 31 Ų | 31 | 42.9 Ų | 42.9 | 16% | 0.162 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 28.6 | 178.5 | -57 | 171.3 | 0 | 0 | 0 | 112.4 | I561 E612 L615 F619 F633 | I561-L638 WeakPolarHBondContact CG1-O 3.3Å; E612-L638 HydrophobicContact CG-CB 4.17Å; E612-L638 PolarHBondContact OE1-N 2.99Å; L615-L638 HydrophobicContact CB-CD1 4.26Å; L615-L638 HydrophobicContact CD1-CB 4.43Å; F619-L638 HydrophobicContact CD2-CD1 4.24Å; F619-L638 HydrophobicContact CE2-CD2 4.48Å; F633-L638 HydrophobicContact CD1-CD2 4.17Å; F633-L638 HydrophobicContact CD2-CD2 3.9Å; F633-L638 HydrophobicContact CE1-CB 4.15Å; F633-L638 HydrophobicContact CE1-CD2 3.85Å; F633-L638 HydrophobicContact CE2-CD2 3.57Å; F633-L638 HydrophobicContact CG-CD2 4.2Å; F633-L638 HydrophobicContact CZ-CD2 3.54Å |
| 639 | R | 84.7 | Confident | 86.1 | Confident | 90 Ų | 90 | 39.8 Ų | 39.8 | 34% | 0.34 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -40.1 | -173.1 | -63.8 | -177.1 | -174.5 | 158.1 | 15.9 | 112.5 | S560 I561 E612 S637 | S560-R639 WeakPolarHBondContact CA-O 3.31Å; I561-R639 PolarHBondContact N-O 3.4Å; E612-R639 HydrophobicContact CB-CG 4.28Å; E612-R639 IonicContact OE1-NE 2.73Å; E612-R639 IonicContact OE2-CZ 2.8Å; E612-R639 IonicContact OE2-NE 2.81Å; E612-R639 PolarHBondContact OE2-NE 2.95Å; E612-R639 IonicContact OE2-NH2 3.21Å; E612-R639 PolarHBondContact OE2-NH2 3.13Å; S637-R639 PolarHBondContact O-N 3.15Å |
| 640 | T | 89.1 | Confident | 86.6 | Confident | 40 Ų | 40 | 38.2 Ų | 38.2 | 25% | 0.245 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 115.9 | -178.5 | 50 | 0 | 0 | 0 | 0 | 110.3 | F559 E634 | F559-T640 WeakPolarHBondContact O-CA 3.36Å; E634-T640 PolarHBondContact N-O 3.16Å; E634-T640 VanDerWaalsContact N-O 3.07Å; E634-T640 PolarHBondContact OE2-OG1 3.48Å; E634-T640 VanDerWaalsContact OE2-OG1 3.07Å |
| 641 | A | 91 | Very high | 86.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 133.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | T558 F559 I561 I631 | T558-A641 CarbonylContact C-O 3.3Å; T558-A641 VanDerWaalsContact CA-O 3.24Å; T558-A641 WeakPolarHBondContact CA-O 3.43Å; F559-A641 HydrophobicContact CD1-CB 4.23Å; F559-A641 HydrophobicContact CD2-CB 4.35Å; F559-A641 HydrophobicContact CE1-CB 3.67Å; F559-A641 HydrophobicContact CE2-CB 3.83Å; F559-A641 HydrophobicContact CZ-CB 3.44Å; F559-A641 VanDerWaalsContact CZ-CB 3.44Å; F559-A641 PolarHBondContact N-O 3.35Å; F559-A641 PolarHBondContact O-N 2.76Å; I561-A641 HydrophobicContact CD1-CB 3.94Å; I631-A641 HydrophobicContact CG2-CB 3.66Å |
| 642 | K | 90.7 | Very high | 86.8 | Confident | 110 Ų | 110 | 45.8 Ų | 45.8 | 48% | 0.478 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -38 | 176.7 | -175.1 | 178.4 | -179.7 | 176 | 0 | 112 | Q557 T558 G632 | Q557-K642 CarbonylContact C-O 3.45Å; Q557-K642 PolarHBondContact N-O 3.37Å; Q557-K642 CarbonylContact O-C 3.52Å; Q557-K642 VanDerWaalsContact O-O 3.04Å; T558-K642 HydrophobicContact CG2-CB 4.47Å; T558-K642 HydrophobicContact CG2-CG 4.16Å; G632-K642 WeakPolarHBondContact O-CB 3.41Å; G632-K642 PolarHBondContact O-N 3.06Å |
| 643 | Y | 90.6 | Very high | 86.4 | Confident | 44 Ų | 44 | 45.7 Ų | 45.7 | 17% | 0.173 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 160.7 | 177.1 | 58.8 | -97.3 | 0 | 0 | 0 | 110 | L78 F79 F554 V555 G632 | L78-Y643 HydrophobicContact CB-CE2 4.3Å; L78-Y643 HydrophobicContact CD2-CE1 4.02Å; F79-Y643 HydrophobicContact CE1-CD2 4.2Å; F79-Y643 AromaticContact CE1-CE2 3.86Å; F79-Y643 HydrophobicContact CE1-CE2 3.86Å; F79-Y643 HydrophobicContact CE2-CD2 4.45Å; F79-Y643 HydrophobicContact CE2-CE2 4.47Å; F79-Y643 AromaticContact CZ-CD2 3.71Å; F79-Y643 HydrophobicContact CZ-CD2 3.71Å; F79-Y643 AromaticContact CZ-CE2 3.77Å; F79-Y643 HydrophobicContact CZ-CE2 3.77Å; F554-Y643 AromaticContact CE2-CD2 3.87Å; F554-Y643 HydrophobicContact CE2-CD2 3.87Å; F554-Y643 HydrophobicContact CE2-CG 4.06Å; F554-Y643 HydrophobicContact CZ-CG 4.35Å; V555-Y643 CarbonylContact O-C 3.42Å; V555-Y643 VanDerWaalsContact O-CA 3.25Å; V555-Y643 WeakPolarHBondContact O-CA 3.49Å; V555-Y643 WeakPolarHBondContact O-CB 3.27Å; G632-Y643 VanDerWaalsContact CA-CZ 3.47Å; G632-Y643 PolarHBondContact N-O 2.89Å; G632-Y643 PolarHBondContact O-N 3.48Å |
| 644 | M | 90.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 158.8 | 174.4 | 61.7 | 176.6 | -118.3 | 0 | 0 | 111.5 | F554 V555 F559 F570 F588 W589 D630 M646 | F554-M644 WeakPolarHBondContact CD2-O 3.38Å; V555-M644 HydrophobicContact CB-CG 3.88Å; V555-M644 HydrophobicContact CG2-CE 4.33Å; V555-M644 HydrophobicContact CG2-CG 4.47Å; V555-M644 PolarHBondContact N-O 2.8Å; V555-M644 PolarHBondContact O-N 2.99Å; F559-M644 HydrophobicContact CE1-CB 4.44Å; F559-M644 HydrophobicContact CE1-CG 3.93Å; F559-M644 HydrophobicContact CE1-SD 3.68Å; F559-M644 HydrophobicContact CE2-SD 4.48Å; F559-M644 HydrophobicContact CZ-CB 4.45Å; F559-M644 HydrophobicContact CZ-CG 4.14Å; F559-M644 HydrophobicContact CZ-SD 3.45Å; F559-M644 WeakPolarHBondContact CZ-SD 3.42Å; F570-M644 HydrophobicContact CB-CE 4.1Å; F570-M644 HydrophobicContact CD1-CE 4.26Å; F570-M644 HydrophobicContact CD2-CE 4.25Å; F570-M644 HydrophobicContact CD2-SD 4.05Å; F570-M644 HydrophobicContact CE2-SD 4.18Å; F570-M644 HydrophobicContact CG-CE 3.95Å; F570-M644 HydrophobicContact CG-SD 4.31Å; F588-M644 HydrophobicContact CE2-CE 3.54Å; F588-M644 HydrophobicContact CZ-CE 3.97Å; W589-M644 HydrophobicContact CZ2-SD 4.28Å; D630-M644 CarbonylContact O-C 3.55Å; D630-M644 VanDerWaalsContact O-CA 3.25Å; D630-M644 WeakPolarHBondContact O-CA 3.21Å; M644-M646 HydrophobicContact CE-CE 3.26Å |
| 645 | K | 88.6 | Confident | 85.4 | Confident | 13 Ų | 13 | 41.6 Ų | 41.6 | 6% | 0.057 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 156.7 | 166 | 66.8 | 176.7 | -175.1 | -179.4 | 0 | 111.3 | F79 N85 T552 V553 D630 | F79-K645 HydrophobicContact CD1-CD 3.75Å; F79-K645 HydrophobicContact CD1-CG 4.33Å; F79-K645 HydrophobicContact CD2-CD 4.17Å; F79-K645 HydrophobicContact CE1-CB 4.26Å; F79-K645 HydrophobicContact CE1-CD 3.7Å; F79-K645 HydrophobicContact CE1-CG 3.76Å; F79-K645 HydrophobicContact CE2-CB 4.1Å; F79-K645 HydrophobicContact CE2-CD 4.13Å; F79-K645 HydrophobicContact CE2-CG 4.36Å; F79-K645 HydrophobicContact CG-CD 3.97Å; F79-K645 HydrophobicContact CZ-CB 3.72Å; F79-K645 HydrophobicContact CZ-CD 3.89Å; F79-K645 HydrophobicContact CZ-CG 3.76Å; N85-K645 PolarHBondContact ND2-NZ 3.04Å; T552-K645 HydrophobicContact CG2-CB 3.98Å; T552-K645 HydrophobicContact CG2-CD 4.28Å; V553-K645 CarbonylContact O-C 3.56Å; V553-K645 VanDerWaalsContact O-CA 3.28Å; V553-K645 WeakPolarHBondContact O-CA 3.46Å; D630-K645 HydrophobicContact CB-CG 3.77Å; D630-K645 PolarHBondContact O-N 3.33Å; D630-K645 WeakPolarHBondContact OD1-CE 3.2Å; D630-K645 IonicContact OD1-NZ 3.81Å; D630-K645 PolarHBondContact OD1-NZ 3.18Å |
| 646 | M | 89.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 158.5 | 166.1 | 66.3 | -174.9 | 88.5 | 0 | 0 | 108.7 | V553 V555 L573 Y574 F588 M644 | V553-M646 HydrophobicContact CB-CG 3.51Å; V553-M646 HydrophobicContact CB-SD 4.29Å; V553-M646 HydrophobicContact CG1-CE 4.25Å; V553-M646 HydrophobicContact CG1-CG 3.95Å; V553-M646 HydrophobicContact CG1-SD 4.16Å; V553-M646 HydrophobicContact CG2-CG 4.12Å; V553-M646 PolarHBondContact N-O 3.43Å; V553-M646 PolarHBondContact O-N 3.15Å; V555-M646 HydrophobicContact CG2-CE 4.13Å; L573-M646 HydrophobicContact CD2-CE 4.33Å; Y574-M646 HydrophobicContact CD2-CG 4.37Å; Y574-M646 HydrophobicContact CD2-SD 3.7Å; Y574-M646 HydrophobicContact CG-SD 4.21Å; F588-M646 HydrophobicContact CB-CB 4.23Å; F588-M646 HydrophobicContact CD2-CB 3.57Å; F588-M646 HydrophobicContact CD2-SD 4.44Å; F588-M646 HydrophobicContact CE2-CB 4.16Å; F588-M646 HydrophobicContact CE2-CE 4.08Å; F588-M646 HydrophobicContact CE2-SD 4.38Å; F588-M646 HydrophobicContact CG-CB 4.04Å; F588-M646 HydrophobicContact CZ-CE 4.15Å; F588-M646 HydrophobicContact CZ-SD 4.43Å; M644-M646 HydrophobicContact CE-CE 3.26Å |
| 647 | S | 87 | Confident | 85.7 | Confident | 6 Ų | 6 | 38.4 Ų | 38.4 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 130.6 | -173.3 | -67.1 | 0 | 0 | 0 | 0 | 110.3 | A551 G586 E587 | A551-S647 WeakPolarHBondContact O-CA 3.09Å; G586-S647 CarbonylContact C-O 3.58Å; G586-S647 WeakPolarHBondContact CA-O 3.45Å; E587-S647 PolarHBondContact N-O 3.24Å; E587-S647 VanDerWaalsContact N-O 3.11Å; E587-S647 PolarHBondContact O-N 3.48Å |
| 648 | V | 89.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122 | 177.4 | 176.8 | 0 | 0 | 0 | 0 | 108.6 | F550 A551 V553 Y574 L577 T578 M665 | F550-V648 CarbonylContact C-O 3.54Å; F550-V648 VanDerWaalsContact CA-O 3.29Å; F550-V648 WeakPolarHBondContact CA-O 3.42Å; A551-V648 PolarHBondContact N-O 2.71Å; A551-V648 PolarHBondContact O-N 2.93Å; V553-V648 HydrophobicContact CG2-CG2 3.77Å; Y574-V648 HydrophobicContact CD2-CG2 4.39Å; Y574-V648 HydrophobicContact CE2-CG2 4.33Å; L577-V648 HydrophobicContact CB-CG2 4.07Å; L577-V648 HydrophobicContact CD1-CG2 4.45Å; T578-V648 HydrophobicContact CG2-CG1 4.11Å; T578-V648 HydrophobicContact CG2-CG2 4.28Å; V648-M665 HydrophobicContact CG1-CE 3.82Å |
| 649 | R | 87.8 | Confident | 86 | Confident | 15 Ų | 15 | 39.2 Ų | 39.2 | 6% | 0.057 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 132 | -178.7 | -177.5 | 173.7 | -77.3 | 115.7 | -9.2 | 109.9 | D194 Y547 F550 S583 A584 P585 | D194-R649 VanDerWaalsContact CG-NH2 3.29Å; D194-R649 IonicContact OD1-NH2 3.9Å; D194-R649 IonicContact OD2-CZ 2.61Å; D194-R649 VanDerWaalsContact OD2-CZ 3.32Å; D194-R649 IonicContact OD2-NE 3.16Å; D194-R649 PolarHBondContact OD2-NE 3.47Å; D194-R649 IonicContact OD2-NH2 3.68Å; D194-R649 PolarHBondContact OD2-NH2 3Å; Y547-R649 HydrophobicContact CD1-CG 4.09Å; F550-R649 HydrophobicContact CD1-CB 3.86Å; F550-R649 HydrophobicContact CE1-CB 3.83Å; F550-R649 HydrophobicContact CE1-CG 4.34Å; S583-R649 CarbonylContact C-O 3.41Å; S583-R649 VanDerWaalsContact CA-O 3.25Å; S583-R649 WeakPolarHBondContact CA-O 3.39Å; A584-R649 HydrophobicContact CB-CB 4.12Å; A584-R649 HydrophobicContact CB-CG 4.45Å; A584-R649 PolarHBondContact N-O 3.23Å; A584-R649 PolarHBondContact O-N 2.91Å; P585-R649 PolarHBondContact O-NH1 3.33Å |
| 650 | L | 89.2 | Confident | 86.3 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 138.4 | 177.3 | -63.7 | -176.7 | 0 | 0 | 0 | 111.8 | Y547 A548 A551 F582 A653 I661 M665 H680 | Y547-L650 WeakPolarHBondContact CA-O 3.31Å; A548-L650 HydrophobicContact CB-CB 3.84Å; A548-L650 HydrophobicContact CB-CD1 4.39Å; A548-L650 PolarHBondContact N-O 3.34Å; A551-L650 HydrophobicContact CB-CD1 4.22Å; A551-L650 HydrophobicContact CB-CD2 4.02Å; A551-L650 HydrophobicContact CB-CG 4.11Å; F582-L650 CarbonylContact O-C 3.54Å; F582-L650 WeakPolarHBondContact O-CA 3.07Å; L650-A653 HydrophobicContact CB-CB 4.17Å; L650-I661 HydrophobicContact CD1-CG2 4.15Å; L650-I661 HydrophobicContact CD2-CG2 3.73Å; L650-M665 HydrophobicContact CD2-CE 3.66Å; L650-H680 HydrophobicContact CD1-CB 4.25Å |
| 651 | R | 88.3 | Confident | 86.4 | Confident | 99 Ų | 99 | 39 Ų | 39 | 37% | 0.374 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 149.4 | 179.2 | -64.5 | -176.8 | 66.9 | -168.5 | 1.1 | 110.6 | Y547 F582 A584 A653 | Y547-R651 HydrophobicContact CD1-CG 3.96Å; Y547-R651 HydrophobicContact CE1-CG 3.62Å; F582-R651 WeakPolarHBondContact CA-O 3.48Å; F582-R651 PolarHBondContact O-N 2.98Å; A584-R651 HydrophobicContact CB-CG 4.17Å; R651-A653 PolarHBondContact O-N 2.99Å; R651-A653 VanDerWaalsContact O-N 3.12Å |
| 652 | N | 84.6 | Confident | 86.4 | Confident | 72 Ų | 72 | 39.5 Ų | 39.5 | 39% | 0.385 | 19% | 0.193 | S | C | . | . | S | Bend | trans | 50.4 | 34.7 | -178.6 | -64.3 | -19.8 | 0 | 0 | 0 | 112.5 | S545 S546 F582 G654 N657 | S545-N652 CarbonylContact O-C 3.53Å; S546-N652 PolarHBondContact O-N 3.26Å; F582-N652 HydrophobicContact CD1-CB 4.2Å; F582-N652 HydrophobicContact CE1-CB 4.5Å; N652-G654 PolarHBondContact O-N 2.99Å; N652-N657 WeakPolarHBondContact O-CB 3.33Å; N652-N657 PolarHBondContact O-ND2 2.97Å |
| 653 | A | 79 | Confident | 86.5 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 3% | 0.033 | 20% | 0.2 | C | C | . | . | trans | -85.2 | 47.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S545 A548 L650 R651 Y658 I661 | S545-A653 PolarHBondContact O-N 3.01Å; S545-A653 VanDerWaalsContact O-N 3.08Å; A548-A653 HydrophobicContact CB-CB 3.24Å; L650-A653 HydrophobicContact CB-CB 4.17Å; R651-A653 PolarHBondContact O-N 2.99Å; R651-A653 VanDerWaalsContact O-N 3.12Å; A653-Y658 HydrophobicContact CB-CE1 4.05Å; A653-Y658 WeakPolarHBondContact O-CE2 3.47Å; A653-Y658 VanDerWaalsContact O-CZ 3.26Å; A653-Y658 PolarHBondContact O-OH 3.11Å; A653-I661 HydrophobicContact CB-CD1 3.78Å | ||
| 654 | G | 78 | Confident | 86.6 | Confident | 13 Ų | 13 | 40 Ų | 40 | 13% | 0.134 | 20% | 0.199 | C | C | . | . | trans | -68 | 159.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | S545 N652 C656 N657 | S545-G654 PolarHBondContact O-N 3.4Å; N652-G654 PolarHBondContact O-N 2.99Å; G654-C656 VanDerWaalsContact C-N 3.26Å; G654-C656 PolarHBondContact O-N 3.26Å; G654-C656 VanDerWaalsContact O-N 3.09Å; G654-N657 PolarHBondContact O-N 2.82Å | ||
| 655 | R | 73.3 | Confident | 86.7 | Confident | 69 Ų | 69 | 40 Ų | 40 | 26% | 0.26 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -45.9 | -46 | -174.7 | -166.5 | 177.8 | -175.8 | 114.1 | 26.6 | 114.5 | L521 N522 N657 Y658 | L521-R655 PolarHBondContact O-NH2 3.34Å; N522-R655 PolarHBondContact OD1-NE 3.28Å; R655-N657 PolarHBondContact O-N 2.73Å; R655-Y658 PolarHBondContact O-N 3.49Å |
| 656 | C | 76.5 | Confident | 86.9 | Confident | 116 Ų | 116 | 41 Ų | 41 | 78% | 0.784 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -65.2 | -17.9 | -177.8 | -55.6 | 0 | 0 | 0 | 0 | 114.6 | G654 | G654-C656 VanDerWaalsContact C-N 3.26Å; G654-C656 PolarHBondContact O-N 3.26Å; G654-C656 VanDerWaalsContact O-N 3.09Å |
| 657 | N | 86.4 | Confident | 87.2 | Confident | 52 Ų | 52 | 47.5 Ų | 47.5 | 28% | 0.278 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -100.6 | -13.4 | -176.2 | -69.3 | -23.4 | 0 | 0 | 0 | 113.1 | F582 N652 G654 R655 T659 R660 I661 | F582-N657 HydrophobicContact CD1-CB 4.5Å; F582-N657 HydrophobicContact CE1-CB 4.19Å; N652-N657 WeakPolarHBondContact O-CB 3.33Å; N652-N657 PolarHBondContact O-ND2 2.97Å; G654-N657 PolarHBondContact O-N 2.82Å; R655-N657 PolarHBondContact O-N 2.73Å; N657-T659 VanDerWaalsContact C-N 3.31Å; N657-T659 PolarHBondContact O-N 3.16Å; N657-R660 PolarHBondContact O-N 2.83Å; N657-R660 VanDerWaalsContact O-N 3.16Å; N657-I661 HydrophobicContact CB-CD1 4.18Å; N657-I661 VanDerWaalsContact O-CG1 3.24Å; N657-I661 WeakPolarHBondContact O-CG1 3.2Å; N657-I661 PolarHBondContact O-N 3.35Å |
| 658 | Y | 85.1 | Confident | 87.5 | Confident | 22 Ų | 22 | 51.1 Ų | 51.1 | 9% | 0.086 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.7 | -37.2 | -175.6 | -86.2 | -65.1 | 0 | 0 | 0 | 113.6 | F92 A653 R655 I661 A662 H680 | F92-Y658 HydrophobicContact CE2-CE1 4.33Å; F92-Y658 HydrophobicContact CE2-CE2 4.26Å; F92-Y658 AromaticContact CE2-CZ 3.88Å; F92-Y658 HydrophobicContact CZ-CD2 4.46Å; F92-Y658 AromaticContact CZ-CE2 3.91Å; F92-Y658 HydrophobicContact CZ-CE2 3.91Å; A653-Y658 HydrophobicContact CB-CE1 4.05Å; A653-Y658 WeakPolarHBondContact O-CE2 3.47Å; A653-Y658 VanDerWaalsContact O-CZ 3.26Å; A653-Y658 PolarHBondContact O-OH 3.11Å; R655-Y658 PolarHBondContact O-N 3.49Å; Y658-I661 PolarHBondContact O-N 2.83Å; Y658-A662 WeakPolarHBondContact O-CB 3.31Å; Y658-A662 PolarHBondContact O-N 3.5Å; Y658-H680 AromaticContact CE1-CE1 3.4Å; Y658-H680 WeakPolarHBondContact CE1-CE1 3.46Å; Y658-H680 AromaticContact CE1-ND1 3.53Å; Y658-H680 AromaticContact CZ-CE1 3.84Å |
| 659 | T | 87.3 | Confident | 87.7 | Confident | 58 Ų | 58 | 51.4 Ų | 51.4 | 36% | 0.356 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57.6 | -52.1 | 174.6 | 50.9 | 0 | 0 | 0 | 0 | 110.5 | N657 I661 A662 E663 V686 | N657-T659 VanDerWaalsContact C-N 3.31Å; N657-T659 PolarHBondContact O-N 3.16Å; T659-I661 VanDerWaalsContact C-N 3.34Å; T659-I661 PolarHBondContact O-N 2.96Å; T659-A662 PolarHBondContact O-N 2.87Å; T659-E663 WeakPolarHBondContact O-CG 3.48Å; T659-E663 PolarHBondContact O-N 3.47Å; T659-V686 HydrophobicContact CG2-CG1 4.18Å; T659-V686 HydrophobicContact CG2-CG2 4.24Å |
| 660 | R | 90.2 | Very high | 88 | Confident | 125 Ų | 125 | 57.2 Ų | 57.2 | 47% | 0.472 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.4 | -37.5 | 177.8 | -169.5 | 172.4 | -178.2 | -161.7 | -5.7 | 112.7 | F582 N657 I664 | F582-R660 HydrophobicContact CE2-CG 4.01Å; F582-R660 HydrophobicContact CZ-CG 4.48Å; N657-R660 PolarHBondContact O-N 2.83Å; N657-R660 VanDerWaalsContact O-N 3.16Å; R660-I664 HydrophobicContact CG-CD1 3.87Å; R660-I664 WeakPolarHBondContact O-CB 3.38Å; R660-I664 WeakPolarHBondContact O-CD1 3.16Å; R660-I664 VanDerWaalsContact O-CG1 3.22Å; R660-I664 WeakPolarHBondContact O-CG1 3.32Å; R660-I664 PolarHBondContact O-N 3.17Å |
| 661 | I | 91.6 | Very high | 88.2 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.4 | -49 | 176.2 | -68.1 | 168.8 | 0 | 0 | 0 | 110.2 | F582 L650 A653 N657 Y658 T659 I664 M665 F683 | F582-I661 HydrophobicContact CB-CD1 4.08Å; F582-I661 HydrophobicContact CB-CG1 3.63Å; F582-I661 HydrophobicContact CD1-CD1 4.34Å; F582-I661 HydrophobicContact CD1-CG1 4.14Å; F582-I661 HydrophobicContact CD2-CG1 4.28Å; F582-I661 HydrophobicContact CG-CD1 4.34Å; F582-I661 HydrophobicContact CG-CG1 3.76Å; L650-I661 HydrophobicContact CD1-CG2 4.15Å; L650-I661 HydrophobicContact CD2-CG2 3.73Å; A653-I661 HydrophobicContact CB-CD1 3.78Å; N657-I661 HydrophobicContact CB-CD1 4.18Å; N657-I661 VanDerWaalsContact O-CG1 3.24Å; N657-I661 WeakPolarHBondContact O-CG1 3.2Å; N657-I661 PolarHBondContact O-N 3.35Å; Y658-I661 PolarHBondContact O-N 2.83Å; T659-I661 VanDerWaalsContact C-N 3.34Å; T659-I661 PolarHBondContact O-N 2.96Å; I661-I664 PolarHBondContact O-N 3.34Å; I661-M665 HydrophobicContact CG2-CG 4.19Å; I661-M665 WeakPolarHBondContact O-CB 3.44Å; I661-M665 WeakPolarHBondContact O-CG 3.31Å; I661-M665 PolarHBondContact O-N 3.04Å; I661-F683 HydrophobicContact CG2-CE1 4.08Å; I661-F683 HydrophobicContact CG2-CZ 4.29Å |
| 662 | A | 91 | Very high | 88.4 | Confident | 10 Ų | 10 | 58.8 Ų | 58.8 | 8% | 0.083 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.3 | -48.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y658 T659 I664 M665 T666 F683 V686 | Y658-A662 WeakPolarHBondContact O-CB 3.31Å; Y658-A662 PolarHBondContact O-N 3.5Å; T659-A662 PolarHBondContact O-N 2.87Å; A662-I664 PolarHBondContact O-N 3.36Å; A662-M665 PolarHBondContact O-N 2.82Å; A662-T666 VanDerWaalsContact O-CB 3.23Å; A662-T666 WeakPolarHBondContact O-CB 3.49Å; A662-T666 PolarHBondContact O-N 2.78Å; A662-T666 PolarHBondContact O-OG1 2.87Å; A662-F683 HydrophobicContact CB-CD1 3.58Å; A662-F683 HydrophobicContact CB-CD2 4.43Å; A662-F683 HydrophobicContact CB-CE1 3.61Å; A662-F683 HydrophobicContact CB-CE2 4.46Å; A662-F683 HydrophobicContact CB-CG 4.03Å; A662-F683 HydrophobicContact CB-CZ 4.08Å; A662-V686 HydrophobicContact CB-CB 4.48Å; A662-V686 HydrophobicContact CB-CG1 4.05Å; A662-V686 HydrophobicContact CB-CG2 4.35Å |
| 663 | E | 91.7 | Very high | 88.6 | Confident | 135 Ų | 135 | 60 Ų | 60 | 63% | 0.631 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -57.9 | -48.6 | 178 | -74.9 | 175.4 | -174.8 | 0 | 0 | 112.4 | T659 R667 | T659-E663 WeakPolarHBondContact O-CG 3.48Å; T659-E663 PolarHBondContact O-N 3.47Å; E663-R667 WeakPolarHBondContact O-CB 3.19Å; E663-R667 PolarHBondContact O-N 3.5Å |
| 664 | I | 93.6 | Very high | 89.3 | Confident | 30 Ų | 30 | 60.4 Ų | 60.4 | 15% | 0.154 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.8 | -49 | -179.1 | -69.3 | 169.3 | 0 | 0 | 0 | 110.5 | T580 F582 R660 I661 A662 R667 R668 | T580-I664 HydrophobicContact CG2-CG2 3.81Å; F582-I664 HydrophobicContact CD2-CD1 4.02Å; F582-I664 HydrophobicContact CE2-CD1 4.06Å; R660-I664 HydrophobicContact CG-CD1 3.87Å; R660-I664 WeakPolarHBondContact O-CB 3.38Å; R660-I664 WeakPolarHBondContact O-CD1 3.16Å; R660-I664 VanDerWaalsContact O-CG1 3.22Å; R660-I664 WeakPolarHBondContact O-CG1 3.32Å; R660-I664 PolarHBondContact O-N 3.17Å; I661-I664 PolarHBondContact O-N 3.34Å; A662-I664 PolarHBondContact O-N 3.36Å; I664-R667 PolarHBondContact O-N 3.22Å; I664-R668 HydrophobicContact CG2-CG 4.37Å; I664-R668 WeakPolarHBondContact O-CB 3.47Å; I664-R668 VanDerWaalsContact O-CG 3.28Å; I664-R668 WeakPolarHBondContact O-CG 3.27Å; I664-R668 PolarHBondContact O-N 3.39Å |
| 665 | M | 93.3 | Very high | 90 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.1 | -47.9 | -176.7 | -70.8 | -63.6 | -172.1 | 0 | 0 | 111.7 | L577 V648 L650 I661 A662 R667 R668 F669 V678 F683 | L577-M665 HydrophobicContact CB-SD 4.23Å; L577-M665 HydrophobicContact CD2-CB 4.49Å; L577-M665 HydrophobicContact CD2-SD 3.57Å; L577-M665 VanDerWaalsContact CD2-SD 3.57Å; L577-M665 HydrophobicContact CG-SD 4.47Å; V648-M665 HydrophobicContact CG1-CE 3.82Å; L650-M665 HydrophobicContact CD2-CE 3.66Å; I661-M665 HydrophobicContact CG2-CG 4.19Å; I661-M665 WeakPolarHBondContact O-CB 3.44Å; I661-M665 WeakPolarHBondContact O-CG 3.31Å; I661-M665 PolarHBondContact O-N 3.04Å; A662-M665 PolarHBondContact O-N 2.82Å; M665-R667 VanDerWaalsContact C-N 3.35Å; M665-R667 PolarHBondContact O-N 3.47Å; M665-R668 PolarHBondContact O-N 3.37Å; M665-F669 WeakPolarHBondContact O-CB 3.17Å; M665-F669 PolarHBondContact O-N 2.93Å; M665-V678 HydrophobicContact CB-CB 4.47Å; M665-V678 HydrophobicContact CB-CG1 4.12Å; M665-F683 HydrophobicContact CB-CZ 4.45Å |
| 666 | T | 93 | Very high | 90.8 | Very high | 32 Ų | 32 | 61.4 Ų | 61.4 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 178.6 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | A662 F669 K670 | A662-T666 VanDerWaalsContact O-CB 3.23Å; A662-T666 WeakPolarHBondContact O-CB 3.49Å; A662-T666 PolarHBondContact O-N 2.78Å; A662-T666 PolarHBondContact O-OG1 2.87Å; T666-F669 PolarHBondContact O-N 3.32Å; T666-K670 HydrophobicContact CG2-CD 4.11Å; T666-K670 WeakPolarHBondContact O-CB 3.41Å; T666-K670 WeakPolarHBondContact O-CG 3.23Å; T666-K670 PolarHBondContact O-N 3.27Å |
| 667 | R | 94.4 | Very high | 91.6 | Very high | 137 Ų | 137 | 57 Ų | 57 | 52% | 0.517 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.9 | -49.4 | 175.3 | -174.1 | -177.7 | 69.6 | -169.3 | -2.9 | 111.8 | E663 I664 M665 F669 K670 E671 | E663-R667 WeakPolarHBondContact O-CB 3.19Å; E663-R667 PolarHBondContact O-N 3.5Å; I664-R667 PolarHBondContact O-N 3.22Å; M665-R667 VanDerWaalsContact C-N 3.35Å; M665-R667 PolarHBondContact O-N 3.47Å; R667-F669 VanDerWaalsContact C-N 3.28Å; R667-F669 PolarHBondContact O-N 2.9Å; R667-K670 PolarHBondContact O-N 3.12Å; R667-E671 WeakPolarHBondContact CG-OE1 3.49Å; R667-E671 IonicContact NE-OE1 3.35Å; R667-E671 WeakPolarHBondContact O-CG 3.34Å; R667-E671 PolarHBondContact O-N 3.23Å |
| 668 | R | 94.4 | Very high | 91.9 | Very high | 82 Ų | 82 | 54.7 Ų | 54.7 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 178.6 | -72.4 | -53 | -166.9 | -173.1 | 3.7 | 112.4 | S576 L577 I664 M665 E671 S672 | S576-R668 WeakPolarHBondContact OG-CD 3.26Å; L577-R668 HydrophobicContact CD2-CB 3.59Å; L577-R668 HydrophobicContact CD2-CG 4.49Å; L577-R668 HydrophobicContact CG-CB 4.49Å; I664-R668 HydrophobicContact CG2-CG 4.37Å; I664-R668 WeakPolarHBondContact O-CB 3.47Å; I664-R668 VanDerWaalsContact O-CG 3.28Å; I664-R668 WeakPolarHBondContact O-CG 3.27Å; I664-R668 PolarHBondContact O-N 3.39Å; M665-R668 PolarHBondContact O-N 3.37Å; R668-E671 VanDerWaalsContact CD-OE2 3.29Å; R668-E671 WeakPolarHBondContact CD-OE2 3.44Å; R668-E671 IonicContact CZ-OE2 3.7Å; R668-E671 IonicContact NE-OE2 2.73Å; R668-E671 IonicContact NH1-OE2 2.91Å; R668-E671 PolarHBondContact NH1-OE2 3.35Å; R668-S672 PolarHBondContact O-N 2.99Å |
| 669 | F | 94.3 | Very high | 92.1 | Very high | 7 Ų | 7 | 54.3 Ų | 54.3 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.9 | -48.4 | 174.2 | -172.3 | -83.6 | 0 | 0 | 0 | 111.7 | V553 V555 L573 M665 T666 R667 E671 S672 G676 F677 V678 | V553-F669 HydrophobicContact CG1-CD2 3.82Å; V553-F669 HydrophobicContact CG1-CE2 3.77Å; V555-F669 HydrophobicContact CG2-CE2 4.34Å; L573-F669 HydrophobicContact CD1-CD2 4.07Å; L573-F669 HydrophobicContact CD2-CD2 3.84Å; L573-F669 HydrophobicContact CD2-CE2 3.75Å; M665-F669 WeakPolarHBondContact O-CB 3.17Å; M665-F669 PolarHBondContact O-N 2.93Å; T666-F669 PolarHBondContact O-N 3.32Å; R667-F669 VanDerWaalsContact C-N 3.28Å; R667-F669 PolarHBondContact O-N 2.9Å; F669-E671 VanDerWaalsContact C-N 3.29Å; F669-E671 PolarHBondContact O-N 3.45Å; F669-S672 WeakPolarHBondContact O-CB 3.34Å; F669-S672 PolarHBondContact O-N 3.33Å; F669-S672 PolarHBondContact O-OG 3.43Å; F669-G676 WeakPolarHBondContact CE1-O 3.47Å; F669-F677 VanDerWaalsContact CZ-N 3.29Å; F669-V678 HydrophobicContact CB-CG2 3.63Å; F669-V678 HydrophobicContact CD2-CG2 3.63Å; F669-V678 HydrophobicContact CG-CG2 3.84Å |
| 670 | K | 93.3 | Very high | 92 | Very high | 136 Ų | 136 | 51.5 Ų | 51.5 | 59% | 0.591 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.2 | -36.8 | 177.8 | -73 | 176 | -179.3 | 174.7 | 0 | 112.3 | T666 R667 S672 S673 | T666-K670 HydrophobicContact CG2-CD 4.11Å; T666-K670 WeakPolarHBondContact O-CB 3.41Å; T666-K670 WeakPolarHBondContact O-CG 3.23Å; T666-K670 PolarHBondContact O-N 3.27Å; R667-K670 PolarHBondContact O-N 3.12Å; K670-S672 PolarHBondContact O-N 3.24Å; K670-S673 PolarHBondContact O-N 2.86Å |
| 671 | E | 93.8 | Very high | 91.4 | Very high | 108 Ų | 108 | 46.7 Ų | 46.7 | 51% | 0.505 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.8 | -24.7 | 174 | -75.1 | 169.6 | -170 | 0 | 0 | 113.4 | R667 R668 F669 S673 | R667-E671 WeakPolarHBondContact CG-OE1 3.49Å; R667-E671 IonicContact NE-OE1 3.35Å; R667-E671 WeakPolarHBondContact O-CG 3.34Å; R667-E671 PolarHBondContact O-N 3.23Å; R668-E671 VanDerWaalsContact CD-OE2 3.29Å; R668-E671 WeakPolarHBondContact CD-OE2 3.44Å; R668-E671 IonicContact CZ-OE2 3.7Å; R668-E671 IonicContact NE-OE2 2.73Å; R668-E671 IonicContact NH1-OE2 2.91Å; R668-E671 PolarHBondContact NH1-OE2 3.35Å; F669-E671 VanDerWaalsContact C-N 3.29Å; F669-E671 PolarHBondContact O-N 3.45Å; E671-S673 VanDerWaalsContact C-N 3.29Å; E671-S673 PolarHBondContact O-N 3.35Å |
| 672 | S | 91.8 | Very high | 90.8 | Very high | 24 Ų | 24 | 46.6 Ų | 46.6 | 17% | 0.168 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -11.5 | -178.7 | 76.6 | 0 | 0 | 0 | 0 | 114.6 | R668 F669 K670 L674 | R668-S672 PolarHBondContact O-N 2.99Å; F669-S672 WeakPolarHBondContact O-CB 3.34Å; F669-S672 PolarHBondContact O-N 3.33Å; F669-S672 PolarHBondContact O-OG 3.43Å; K670-S672 PolarHBondContact O-N 3.24Å; S672-L674 PolarHBondContact O-N 3.04Å; S672-L674 VanDerWaalsContact O-N 3.12Å; S672-L674 PolarHBondContact OG-N 3.3Å |
| 673 | S | 89.7 | Confident | 90.6 | Very high | 97 Ų | 97 | 46.3 Ų | 46.3 | 68% | 0.678 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 14.7 | -174.8 | 68.1 | 0 | 0 | 0 | 0 | 115.6 | K670 E671 | K670-S673 PolarHBondContact O-N 2.86Å; E671-S673 VanDerWaalsContact C-N 3.29Å; E671-S673 PolarHBondContact O-N 3.35Å |
| 674 | L | 92.4 | Very high | 90.2 | Very high | 14 Ų | 14 | 40 Ų | 40 | 7% | 0.073 | 21% | 0.21 | C | C | . | . | trans | -83.3 | 150.4 | 173.9 | -66.1 | 171.7 | 0 | 0 | 0 | 110.8 | R569 F570 L573 S672 | R569-L674 HydrophobicContact CB-CD2 4.42Å; F570-L674 HydrophobicContact CD1-CD1 3.72Å; F570-L674 HydrophobicContact CD1-CD2 4.39Å; F570-L674 HydrophobicContact CE1-CD1 3.99Å; F570-L674 HydrophobicContact CE1-CD2 3.89Å; L573-L674 HydrophobicContact CB-CD1 4.3Å; L573-L674 HydrophobicContact CD2-CD1 3.75Å; S672-L674 PolarHBondContact O-N 3.04Å; S672-L674 VanDerWaalsContact O-N 3.12Å; S672-L674 PolarHBondContact OG-N 3.3Å | ||
| 675 | S | 92.4 | Very high | 89.6 | Confident | 69 Ų | 69 | 39.2 Ų | 39.2 | 48% | 0.483 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -83.3 | 128 | 174.2 | -64.4 | 0 | 0 | 0 | 0 | 110.1 | V555 N556 | V555-S675 CarbonylContact C-O 3.53Å; V555-S675 WeakPolarHBondContact CA-O 3.35Å; N556-S675 PolarHBondContact N-O 3.46Å; N556-S675 WeakPolarHBondContact O-CB 3.27Å |
| 676 | G | 92 | Very high | 89.2 | Confident | 33 Ų | 33 | 40.1 Ų | 40.1 | 34% | 0.34 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 145.8 | -156.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F554 F669 | F554-G676 CarbonylContact O-C 3.17Å; F554-G676 VanDerWaalsContact O-CA 3.23Å; F554-G676 WeakPolarHBondContact O-CA 3.34Å; F669-G676 WeakPolarHBondContact CE1-O 3.47Å |
| 677 | F | 93.2 | Very high | 88.9 | Confident | 23 Ų | 23 | 40 Ų | 40 | 10% | 0.101 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 169.7 | -179 | 54.1 | -101.7 | 0 | 0 | 0 | 112.4 | N71 A74 L75 F554 F669 F679 | N71-F677 HydrophobicContact CB-CD1 4.45Å; N71-F677 HydrophobicContact CB-CD2 3.65Å; N71-F677 HydrophobicContact CB-CE1 4.28Å; N71-F677 HydrophobicContact CB-CE2 3.47Å; N71-F677 VanDerWaalsContact CB-CE2 3.47Å; N71-F677 HydrophobicContact CB-CG 4.16Å; N71-F677 HydrophobicContact CB-CZ 3.81Å; N71-F677 VanDerWaalsContact CG-CD2 3.42Å; N71-F677 VanDerWaalsContact CG-CG 3.42Å; N71-F677 WeakPolarHBondContact OD1-CD1 3.38Å; N71-F677 WeakPolarHBondContact OD1-CE1 3.42Å; N71-F677 WeakPolarHBondContact OD1-CG 3.36Å; A74-F677 HydrophobicContact CB-CE1 4.25Å; A74-F677 HydrophobicContact CB-CZ 4.05Å; L75-F677 HydrophobicContact CD1-CE2 3.95Å; L75-F677 HydrophobicContact CD2-CE2 4.34Å; L75-F677 HydrophobicContact CD2-CZ 4.46Å; L75-F677 HydrophobicContact CG-CE2 3.85Å; L75-F677 HydrophobicContact CG-CZ 4.02Å; F554-F677 HydrophobicContact CB-CD2 4.15Å; F554-F677 HydrophobicContact CB-CE2 3.86Å; F554-F677 HydrophobicContact CB-CZ 4.07Å; F554-F677 AromaticContact CD1-CD1 3.95Å; F554-F677 HydrophobicContact CD1-CD1 3.95Å; F554-F677 AromaticContact CD1-CE1 3.39Å; F554-F677 HydrophobicContact CD1-CE1 3.39Å; F554-F677 HydrophobicContact CD1-CE2 4.17Å; F554-F677 AromaticContact CD1-CZ 3.51Å; F554-F677 HydrophobicContact CD1-CZ 3.51Å; F554-F677 AromaticContact CE1-CE1 3.99Å; F554-F677 HydrophobicContact CE1-CE1 3.99Å; F554-F677 HydrophobicContact CE1-CZ 4.27Å; F554-F677 HydrophobicContact CG-CE1 4.34Å; F554-F677 HydrophobicContact CG-CE2 4.38Å; F554-F677 HydrophobicContact CG-CZ 4.08Å; F554-F677 PolarHBondContact N-O 3.33Å; F554-F677 PolarHBondContact O-N 3.09Å; F669-F677 VanDerWaalsContact CZ-N 3.29Å; F677-F679 HydrophobicContact CD2-CB 4.08Å; F677-F679 HydrophobicContact CE2-CB 4.06Å |
| 678 | V | 91.8 | Very high | 88.5 | Confident | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 133.7 | 167.8 | -173.5 | 0 | 0 | 0 | 0 | 108.7 | A551 T552 V553 L577 M665 F669 F683 | A551-V678 HydrophobicContact CB-CG1 4.07Å; T552-V678 CarbonylContact O-C 3.57Å; T552-V678 WeakPolarHBondContact O-CA 3.45Å; V553-V678 HydrophobicContact CB-CG2 4.45Å; V553-V678 HydrophobicContact CG1-CG2 4.23Å; V553-V678 HydrophobicContact CG2-CG1 4.11Å; V553-V678 HydrophobicContact CG2-CG2 4.05Å; L577-V678 HydrophobicContact CD1-CG2 4.38Å; M665-V678 HydrophobicContact CB-CB 4.47Å; M665-V678 HydrophobicContact CB-CG1 4.12Å; F669-V678 HydrophobicContact CB-CG2 3.63Å; F669-V678 HydrophobicContact CD2-CG2 3.63Å; F669-V678 HydrophobicContact CG-CG2 3.84Å; V678-F683 HydrophobicContact CG1-CE2 4.26Å |
| 679 | F | 88.7 | Confident | 88 | Confident | 13 Ų | 13 | 31 Ų | 31 | 6% | 0.057 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 136.9 | -179.2 | 177.4 | -101.7 | 0 | 0 | 0 | 111.3 | S68 N71 M72 L75 A551 T552 F677 P681 L684 | S68-F679 VanDerWaalsContact O-CE2 3.23Å; S68-F679 WeakPolarHBondContact O-CE2 3.16Å; N71-F679 HydrophobicContact CB-CB 4.32Å; N71-F679 HydrophobicContact CB-CD2 3.93Å; N71-F679 HydrophobicContact CB-CG 4.36Å; M72-F679 HydrophobicContact CB-CE1 4.16Å; M72-F679 HydrophobicContact CB-CE2 3.78Å; M72-F679 HydrophobicContact CB-CZ 3.5Å; M72-F679 HydrophobicContact CG-CE1 4.22Å; M72-F679 HydrophobicContact CG-CZ 3.78Å; M72-F679 HydrophobicContact SD-CZ 4.46Å; L75-F679 HydrophobicContact CD1-CB 3.72Å; L75-F679 HydrophobicContact CD1-CD1 3.49Å; L75-F679 VanDerWaalsContact CD1-CD1 3.49Å; L75-F679 HydrophobicContact CD1-CE1 4.41Å; L75-F679 HydrophobicContact CD1-CG 3.86Å; A551-F679 CarbonylContact C-O 3.58Å; A551-F679 WeakPolarHBondContact CA-O 3.31Å; T552-F679 PolarHBondContact N-O 3Å; T552-F679 PolarHBondContact O-N 3.43Å; F677-F679 HydrophobicContact CD2-CB 4.08Å; F677-F679 HydrophobicContact CE2-CB 4.06Å; F679-P681 HydrophobicContact CE1-CG 4.21Å; F679-L684 HydrophobicContact CE2-CG 4.36Å |
| 680 | H | 85 | Confident | 87.5 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -138 | 142.8 | 164.3 | 177.3 | -98.3 | 0 | 0 | 0 | 106.7 | S91 F92 A551 L650 Y658 G682 F683 | S91-H680 PolarHBondContact OG-NE2 2.87Å; F92-H680 AromaticContact CE2-CE1 3.7Å; A551-H680 HydrophobicContact CB-CB 4.21Å; L650-H680 HydrophobicContact CD1-CB 4.25Å; Y658-H680 AromaticContact CE1-CE1 3.4Å; Y658-H680 WeakPolarHBondContact CE1-CE1 3.46Å; Y658-H680 AromaticContact CE1-ND1 3.53Å; Y658-H680 AromaticContact CZ-CE1 3.84Å; H680-G682 PolarHBondContact ND1-N 3.28Å; H680-G682 VanDerWaalsContact ND1-N 3.1Å; H680-G682 PolarHBondContact O-N 3.32Å; H680-F683 HydrophobicContact CB-CD1 4.08Å; H680-F683 HydrophobicContact CB-CD2 4.26Å; H680-F683 HydrophobicContact CB-CE1 3.92Å; H680-F683 HydrophobicContact CB-CE2 4.12Å; H680-F683 HydrophobicContact CB-CG 4.23Å; H680-F683 HydrophobicContact CB-CZ 3.95Å; H680-F683 VanDerWaalsContact O-CB 3.31Å; H680-F683 WeakPolarHBondContact O-CB 3.28Å; H680-F683 WeakPolarHBondContact O-CG 3.14Å; H680-F683 PolarHBondContact O-N 3.45Å | ||
| 681 | P | 78.2 | Confident | 87.2 | Confident | 23 Ų | 23 | 29.7 Ų | 29.7 | 15% | 0.149 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -26.9 | -178.2 | -27.4 | 34.7 | 0 | 0 | 0 | 114.2 | F92 L95 F679 F683 L684 | F92-P681 HydrophobicContact CB-CB 4.24Å; F92-P681 HydrophobicContact CD2-CB 3.86Å; F92-P681 HydrophobicContact CG-CB 4.29Å; L95-P681 HydrophobicContact CD1-CB 4.12Å; F679-P681 HydrophobicContact CE1-CG 4.21Å; P681-F683 PolarHBondContact O-N 2.85Å; P681-L684 WeakPolarHBondContact O-CB 3.35Å; P681-L684 PolarHBondContact O-N 2.88Å |
| 682 | G | 79.8 | Confident | 87 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -18.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | H680 L684 L685 V686 | H680-G682 PolarHBondContact ND1-N 3.28Å; H680-G682 VanDerWaalsContact ND1-N 3.1Å; H680-G682 PolarHBondContact O-N 3.32Å; G682-L684 PolarHBondContact O-N 2.91Å; G682-L685 PolarHBondContact O-N 3.37Å; G682-V686 PolarHBondContact O-N 2.87Å |
| 683 | F | 86.6 | Confident | 86.6 | Confident | 3 Ų | 3 | 26.7 Ų | 26.7 | 1% | 0.013 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.9 | -21.5 | 176.4 | -60.2 | -8.7 | 0 | 0 | 0 | 111.6 | S68 I661 A662 M665 V678 H680 P681 L685 V686 D687 | S68-F683 VanDerWaalsContact OG-CB 3.29Å; S68-F683 WeakPolarHBondContact OG-CB 3.47Å; S68-F683 PolarHBondContact OG-O 3.07Å; I661-F683 HydrophobicContact CG2-CE1 4.08Å; I661-F683 HydrophobicContact CG2-CZ 4.29Å; A662-F683 HydrophobicContact CB-CD1 3.58Å; A662-F683 HydrophobicContact CB-CD2 4.43Å; A662-F683 HydrophobicContact CB-CE1 3.61Å; A662-F683 HydrophobicContact CB-CE2 4.46Å; A662-F683 HydrophobicContact CB-CG 4.03Å; A662-F683 HydrophobicContact CB-CZ 4.08Å; M665-F683 HydrophobicContact CB-CZ 4.45Å; V678-F683 HydrophobicContact CG1-CE2 4.26Å; H680-F683 HydrophobicContact CB-CD1 4.08Å; H680-F683 HydrophobicContact CB-CD2 4.26Å; H680-F683 HydrophobicContact CB-CE1 3.92Å; H680-F683 HydrophobicContact CB-CE2 4.12Å; H680-F683 HydrophobicContact CB-CG 4.23Å; H680-F683 HydrophobicContact CB-CZ 3.95Å; H680-F683 VanDerWaalsContact O-CB 3.31Å; H680-F683 WeakPolarHBondContact O-CB 3.28Å; H680-F683 WeakPolarHBondContact O-CG 3.14Å; H680-F683 PolarHBondContact O-N 3.45Å; P681-F683 PolarHBondContact O-N 2.85Å; F683-L685 VanDerWaalsContact C-N 3.3Å; F683-L685 PolarHBondContact O-N 3.45Å; F683-V686 PolarHBondContact O-N 2.89Å; F683-D687 WeakPolarHBondContact O-CB 3.24Å; F683-D687 PolarHBondContact O-N 3.41Å |
| 684 | L | 82.7 | Confident | 86.5 | Confident | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60 | -39.4 | 171 | -65.7 | 170.3 | 0 | 0 | 0 | 112.3 | F62 W69 M72 L95 F679 P681 G682 Q688 | F62-L684 HydrophobicContact CD1-CB 3.83Å; F62-L684 HydrophobicContact CE1-CB 3.74Å; F62-L684 HydrophobicContact CZ-CB 4.5Å; W69-L684 HydrophobicContact CB-CD2 4.34Å; W69-L684 HydrophobicContact CE3-CD2 4.06Å; M72-L684 HydrophobicContact SD-CD1 3.95Å; L95-L684 HydrophobicContact CD1-CD1 4.16Å; F679-L684 HydrophobicContact CE2-CG 4.36Å; P681-L684 WeakPolarHBondContact O-CB 3.35Å; P681-L684 PolarHBondContact O-N 2.88Å; G682-L684 PolarHBondContact O-N 2.91Å; L684-Q688 WeakPolarHBondContact O-CB 3.47Å; L684-Q688 PolarHBondContact O-N 3.35Å |
| 685 | L | 80.3 | Confident | 86.4 | Confident | 14 Ų | 14 | 28 Ų | 28 | 7% | 0.073 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -73.3 | -35.1 | 175.7 | -67.9 | 173 | 0 | 0 | 0 | 111.8 | F62 F92 V523 G682 F683 Q688 D689 | F62-L685 HydrophobicContact CE1-CD2 3.75Å; F62-L685 HydrophobicContact CE1-CG 4.23Å; F62-L685 HydrophobicContact CZ-CD2 4.1Å; F92-L685 HydrophobicContact CD1-CD1 4.13Å; F92-L685 HydrophobicContact CE1-CD1 3.31Å; F92-L685 HydrophobicContact CE1-CG 4.4Å; F92-L685 HydrophobicContact CZ-CD1 3.97Å; V523-L685 HydrophobicContact CG2-CD1 4.22Å; V523-L685 HydrophobicContact CG2-CD2 3.75Å; G682-L685 PolarHBondContact O-N 3.37Å; F683-L685 VanDerWaalsContact C-N 3.3Å; F683-L685 PolarHBondContact O-N 3.45Å; L685-Q688 PolarHBondContact O-N 2.95Å; L685-D689 WeakPolarHBondContact O-CB 3.42Å; L685-D689 PolarHBondContact O-N 3.43Å |
| 686 | V | 86 | Confident | 86.3 | Confident | 20 Ų | 20 | 25 Ų | 25 | 12% | 0.121 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64 | -46.2 | 175.5 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | T659 A662 G682 F683 Q688 D689 S690 | T659-V686 HydrophobicContact CG2-CG1 4.18Å; T659-V686 HydrophobicContact CG2-CG2 4.24Å; A662-V686 HydrophobicContact CB-CB 4.48Å; A662-V686 HydrophobicContact CB-CG1 4.05Å; A662-V686 HydrophobicContact CB-CG2 4.35Å; G682-V686 PolarHBondContact O-N 2.87Å; F683-V686 PolarHBondContact O-N 2.89Å; V686-Q688 VanDerWaalsContact C-N 3.34Å; V686-D689 PolarHBondContact O-N 3.31Å; V686-S690 PolarHBondContact O-N 2.78Å; V686-S690 PolarHBondContact O-OG 3.35Å |
| 687 | D | 87.2 | Confident | 86.2 | Confident | 29 Ų | 29 | 27.3 Ų | 27.3 | 16% | 0.155 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.2 | -46.2 | 176.9 | -74.8 | 5.5 | 0 | 0 | 0 | 110.2 | S68 F683 D689 S690 L691 | S68-D687 WeakPolarHBondContact CA-OD2 3.33Å; S68-D687 WeakPolarHBondContact CB-OD2 3.42Å; S68-D687 PolarHBondContact N-OD2 3.08Å; S68-D687 VanDerWaalsContact OG-CG 3.25Å; S68-D687 PolarHBondContact OG-OD1 2.88Å; S68-D687 PolarHBondContact OG-OD2 2.94Å; F683-D687 WeakPolarHBondContact O-CB 3.24Å; F683-D687 PolarHBondContact O-N 3.41Å; D687-D689 PolarHBondContact O-N 2.8Å; D687-S690 PolarHBondContact O-N 3.22Å; D687-S690 PolarHBondContact O-OG 3.3Å; D687-L691 HydrophobicContact CB-CD1 4.45Å; D687-L691 VanDerWaalsContact O-CB 3.31Å; D687-L691 WeakPolarHBondContact O-CB 3.3Å; D687-L691 WeakPolarHBondContact O-CD1 3.32Å; D687-L691 WeakPolarHBondContact O-CG 3.45Å; D687-L691 PolarHBondContact O-N 3.47Å |
| 688 | Q | 85.3 | Confident | 86.1 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54.1 | -53.6 | 172.8 | 173 | 175.6 | 24.8 | 0 | 0 | 112.1 | F61 F401 L684 L685 V686 S690 L691 V692 | F61-Q688 PolarHBondContact O-NE2 3.46Å; F401-Q688 HydrophobicContact CE1-CG 4.01Å; L684-Q688 WeakPolarHBondContact O-CB 3.47Å; L684-Q688 PolarHBondContact O-N 3.35Å; L685-Q688 PolarHBondContact O-N 2.95Å; V686-Q688 VanDerWaalsContact C-N 3.34Å; Q688-S690 VanDerWaalsContact C-N 3.27Å; Q688-S690 PolarHBondContact O-N 3.35Å; Q688-L691 PolarHBondContact O-N 2.96Å; Q688-V692 HydrophobicContact CG-CG2 4.2Å; Q688-V692 VanDerWaalsContact O-CG2 3.27Å; Q688-V692 WeakPolarHBondContact O-CG2 3.49Å; Q688-V692 PolarHBondContact O-N 3.41Å |
| 689 | D | 83.3 | Confident | 86.1 | Confident | 31 Ų | 31 | 30.6 Ų | 30.6 | 17% | 0.166 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.4 | -38.9 | -177.6 | -70.1 | -13.2 | 0 | 0 | 0 | 111.4 | V519 G520 L521 L685 V686 D687 | V519-D689 VanDerWaalsContact CG1-O 3.27Å; V519-D689 WeakPolarHBondContact CG1-O 3.42Å; G520-D689 VanDerWaalsContact CA-CG 3.41Å; G520-D689 WeakPolarHBondContact CA-OD1 3.44Å; L521-D689 PolarHBondContact N-OD1 3.21Å; L685-D689 WeakPolarHBondContact O-CB 3.42Å; L685-D689 PolarHBondContact O-N 3.43Å; V686-D689 PolarHBondContact O-N 3.31Å; D687-D689 PolarHBondContact O-N 2.8Å |
| 690 | S | 84.2 | Confident | 86.2 | Confident | 72 Ų | 72 | 31 Ų | 31 | 50% | 0.503 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -69.7 | -40.5 | 176.9 | 73.4 | 0 | 0 | 0 | 0 | 113.2 | V686 D687 Q688 | V686-S690 PolarHBondContact O-N 2.78Å; V686-S690 PolarHBondContact O-OG 3.35Å; D687-S690 PolarHBondContact O-N 3.22Å; D687-S690 PolarHBondContact O-OG 3.3Å; Q688-S690 VanDerWaalsContact C-N 3.27Å; Q688-S690 PolarHBondContact O-N 3.35Å |
| 691 | L | 87.6 | Confident | 86.6 | Confident | 42 Ų | 42 | 37.3 Ų | 37.3 | 22% | 0.22 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -75.9 | -31.3 | -177 | -78.6 | 158.4 | 0 | 0 | 0 | 112.5 | P63 F401 D687 Q688 L693 Q694 T695 | P63-L691 HydrophobicContact CB-CD1 3.77Å; P63-L691 HydrophobicContact CG-CD1 3.45Å; P63-L691 VanDerWaalsContact CG-CD1 3.45Å; F401-L691 HydrophobicContact CZ-CB 4.24Å; D687-L691 HydrophobicContact CB-CD1 4.45Å; D687-L691 VanDerWaalsContact O-CB 3.31Å; D687-L691 WeakPolarHBondContact O-CB 3.3Å; D687-L691 WeakPolarHBondContact O-CD1 3.32Å; D687-L691 WeakPolarHBondContact O-CG 3.45Å; D687-L691 PolarHBondContact O-N 3.47Å; Q688-L691 PolarHBondContact O-N 2.96Å; L691-L693 PolarHBondContact O-N 3.46Å; L691-Q694 PolarHBondContact O-N 3.41Å; L691-T695 WeakPolarHBondContact O-CB 3.29Å; L691-T695 PolarHBondContact O-N 2.97Å; L691-T695 PolarHBondContact O-OG1 2.76Å |
| 692 | V | 88.1 | Confident | 87.3 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.5 | -50.4 | 178.7 | 165.2 | 0 | 0 | 0 | 0 | 110.9 | F401 Q688 T695 L696 I746 | F401-V692 HydrophobicContact CE1-CG2 4.31Å; F401-V692 HydrophobicContact CE2-CG2 4.03Å; F401-V692 HydrophobicContact CZ-CG2 3.55Å; Q688-V692 HydrophobicContact CG-CG2 4.2Å; Q688-V692 VanDerWaalsContact O-CG2 3.27Å; Q688-V692 WeakPolarHBondContact O-CG2 3.49Å; Q688-V692 PolarHBondContact O-N 3.41Å; V692-T695 PolarHBondContact O-N 3.28Å; V692-L696 VanDerWaalsContact O-CB 3.25Å; V692-L696 WeakPolarHBondContact O-CB 3.26Å; V692-L696 PolarHBondContact O-N 3.1Å; V692-I746 HydrophobicContact CG1-CG2 4.05Å |
| 693 | L | 84.7 | Confident | 87.9 | Confident | 70 Ų | 70 | 38.5 Ų | 38.5 | 37% | 0.366 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66 | -44.7 | -177.8 | -179.5 | 66.1 | 0 | 0 | 0 | 111.7 | V519 L691 L696 I697 | V519-L693 HydrophobicContact CG1-CB 4.15Å; V519-L693 HydrophobicContact CG2-CB 4.34Å; V519-L693 HydrophobicContact CG2-CD1 4.28Å; V519-L693 HydrophobicContact CG2-CD2 4.26Å; L691-L693 PolarHBondContact O-N 3.46Å; L693-L696 PolarHBondContact O-N 3.36Å; L693-I697 HydrophobicContact CD1-CD1 4.17Å; L693-I697 HydrophobicContact CD1-CG1 4.47Å; L693-I697 HydrophobicContact CG-CD1 4.09Å; L693-I697 WeakPolarHBondContact O-CG1 3.31Å; L693-I697 PolarHBondContact O-N 2.91Å; L693-I697 VanDerWaalsContact O-N 3.07Å |
| 694 | Q | 87.6 | Confident | 88 | Confident | 130 Ų | 130 | 39.6 Ų | 39.6 | 61% | 0.607 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -62.4 | -44.8 | 179.6 | -176.9 | 177.8 | -8.4 | 0 | 0 | 111.4 | L691 I697 Q698 | L691-Q694 PolarHBondContact O-N 3.41Å; Q694-I697 PolarHBondContact O-N 3.28Å; Q694-Q698 PolarHBondContact O-N 2.82Å; Q694-Q698 VanDerWaalsContact O-N 3.12Å |
| 695 | T | 90.7 | Very high | 88.5 | Confident | 9 Ų | 9 | 42.4 Ų | 42.4 | 6% | 0.055 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.2 | -44.5 | 178.6 | -53 | 0 | 0 | 0 | 0 | 110.8 | T399 L691 V692 I697 Q698 D699 M751 | T399-T695 HydrophobicContact CG2-CG2 3.72Å; L691-T695 WeakPolarHBondContact O-CB 3.29Å; L691-T695 PolarHBondContact O-N 2.97Å; L691-T695 PolarHBondContact O-OG1 2.76Å; V692-T695 PolarHBondContact O-N 3.28Å; T695-I697 VanDerWaalsContact C-N 3.33Å; T695-I697 PolarHBondContact O-N 2.94Å; T695-Q698 WeakPolarHBondContact O-CB 3.33Å; T695-Q698 PolarHBondContact O-N 3.44Å; T695-Q698 VanDerWaalsContact O-N 3.15Å; T695-D699 WeakPolarHBondContact O-CB 3.45Å; T695-D699 PolarHBondContact O-N 2.98Å; T695-M751 HydrophobicContact CG2-SD 3.93Å |
| 696 | L | 89.9 | Confident | 89.1 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.5 | -46.3 | 177 | 173.8 | 63 | 0 | 0 | 0 | 111.8 | V692 L693 Q698 D699 I700 I746 M751 I754 | V692-L696 VanDerWaalsContact O-CB 3.25Å; V692-L696 WeakPolarHBondContact O-CB 3.26Å; V692-L696 PolarHBondContact O-N 3.1Å; L693-L696 PolarHBondContact O-N 3.36Å; L696-Q698 VanDerWaalsContact C-N 3.34Å; L696-Q698 PolarHBondContact O-N 2.91Å; L696-D699 PolarHBondContact O-N 2.97Å; L696-I700 HydrophobicContact CD1-CD1 3.78Å; L696-I700 HydrophobicContact CD1-CG1 4.05Å; L696-I700 HydrophobicContact CG-CD1 3.86Å; L696-I700 HydrophobicContact CG-CG1 4.49Å; L696-I700 WeakPolarHBondContact O-CB 3.38Å; L696-I700 WeakPolarHBondContact O-CG1 3.29Å; L696-I700 PolarHBondContact O-N 3.43Å; L696-I746 HydrophobicContact CD2-CD1 4.18Å; L696-I746 HydrophobicContact CD2-CG2 3.61Å; L696-M751 HydrophobicContact CB-CG 4.08Å; L696-M751 HydrophobicContact CD1-CB 4.4Å; L696-M751 HydrophobicContact CD1-CG 3.92Å; L696-I754 HydrophobicContact CD1-CB 4.13Å; L696-I754 HydrophobicContact CD1-CD1 4.35Å; L696-I754 HydrophobicContact CD1-CG2 3.92Å; L696-I754 HydrophobicContact CD2-CD1 4.2Å |
| 697 | I | 89.3 | Confident | 89.3 | Confident | 82 Ų | 82 | 42.6 Ų | 42.6 | 42% | 0.421 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.8 | -45.5 | 178.6 | -68.6 | 169.4 | 0 | 0 | 0 | 110.1 | L693 Q694 T695 I700 F701 | L693-I697 HydrophobicContact CD1-CD1 4.17Å; L693-I697 HydrophobicContact CD1-CG1 4.47Å; L693-I697 HydrophobicContact CG-CD1 4.09Å; L693-I697 WeakPolarHBondContact O-CG1 3.31Å; L693-I697 PolarHBondContact O-N 2.91Å; L693-I697 VanDerWaalsContact O-N 3.07Å; Q694-I697 PolarHBondContact O-N 3.28Å; T695-I697 VanDerWaalsContact C-N 3.33Å; T695-I697 PolarHBondContact O-N 2.94Å; I697-I700 PolarHBondContact O-N 3.37Å; I697-F701 HydrophobicContact CG2-CD2 3.76Å; I697-F701 HydrophobicContact CG2-CE2 3.55Å; I697-F701 WeakPolarHBondContact O-CD2 3.16Å; I697-F701 PolarHBondContact O-N 3.32Å; I697-F701 VanDerWaalsContact O-N 3.09Å |
| 698 | Q | 91.9 | Very high | 89.4 | Confident | 98 Ų | 98 | 42.7 Ų | 42.7 | 46% | 0.458 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60 | -49.1 | 176.8 | 178 | 177.4 | -18.1 | 0 | 0 | 111.7 | Q694 T695 L696 I700 F701 V702 | Q694-Q698 PolarHBondContact O-N 2.82Å; Q694-Q698 VanDerWaalsContact O-N 3.12Å; T695-Q698 WeakPolarHBondContact O-CB 3.33Å; T695-Q698 PolarHBondContact O-N 3.44Å; T695-Q698 VanDerWaalsContact O-N 3.15Å; L696-Q698 VanDerWaalsContact C-N 3.34Å; L696-Q698 PolarHBondContact O-N 2.91Å; Q698-I700 VanDerWaalsContact C-N 3.34Å; Q698-I700 PolarHBondContact O-N 2.9Å; Q698-F701 PolarHBondContact O-N 3.38Å; Q698-F701 VanDerWaalsContact O-N 3.14Å; Q698-V702 HydrophobicContact CG-CG2 4.37Å; Q698-V702 WeakPolarHBondContact O-CG2 3.29Å; Q698-V702 PolarHBondContact O-N 2.88Å |
| 699 | D | 90.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 179.3 | -77.3 | 1 | 0 | 0 | 0 | 111.5 | V395 T399 T695 L696 F701 V702 A703 | V395-D699 HydrophobicContact CG1-CB 4.22Å; T399-D699 WeakPolarHBondContact CG2-OD2 3.48Å; T695-D699 WeakPolarHBondContact O-CB 3.45Å; T695-D699 PolarHBondContact O-N 2.98Å; L696-D699 PolarHBondContact O-N 2.97Å; D699-F701 VanDerWaalsContact C-N 3.35Å; D699-F701 PolarHBondContact O-N 3.32Å; D699-V702 PolarHBondContact O-N 3.46Å; D699-A703 WeakPolarHBondContact O-CB 3.3Å; D699-A703 PolarHBondContact O-N 3.13Å |
| 700 | I | 91 | Very high | 89.9 | Confident | 22 Ų | 22 | 46.7 Ų | 46.7 | 11% | 0.113 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.6 | -47.5 | 175.2 | -70.2 | 167.4 | 0 | 0 | 0 | 110 | L696 I697 Q698 M704 I736 I754 I758 | L696-I700 HydrophobicContact CD1-CD1 3.78Å; L696-I700 HydrophobicContact CD1-CG1 4.05Å; L696-I700 HydrophobicContact CG-CD1 3.86Å; L696-I700 HydrophobicContact CG-CG1 4.49Å; L696-I700 WeakPolarHBondContact O-CB 3.38Å; L696-I700 WeakPolarHBondContact O-CG1 3.29Å; L696-I700 PolarHBondContact O-N 3.43Å; I697-I700 PolarHBondContact O-N 3.37Å; Q698-I700 VanDerWaalsContact C-N 3.34Å; Q698-I700 PolarHBondContact O-N 2.9Å; I700-M704 HydrophobicContact CG2-CE 3.77Å; I700-M704 HydrophobicContact CG2-CG 4.28Å; I700-M704 HydrophobicContact CG2-SD 4.1Å; I700-M704 VanDerWaalsContact O-CB 3.3Å; I700-M704 WeakPolarHBondContact O-CB 3.31Å; I700-M704 WeakPolarHBondContact O-CG 3.41Å; I700-M704 PolarHBondContact O-N 3.1Å; I700-I736 HydrophobicContact CD1-CD1 3.97Å; I700-I754 HydrophobicContact CD1-CG2 4.15Å; I700-I754 HydrophobicContact CG1-CG2 4.36Å; I700-I758 HydrophobicContact CB-CD1 4.23Å; I700-I758 HydrophobicContact CG1-CD1 4.08Å; I700-I758 HydrophobicContact CG2-CD1 4.17Å |
| 701 | F | 92.6 | Very high | 90 | Very high | 132 Ų | 132 | 43.4 Ų | 43.4 | 58% | 0.579 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -63.3 | -43.5 | 178.8 | -80 | -65.9 | 0 | 0 | 0 | 112.9 | I697 Q698 D699 M704 A705 | I697-F701 HydrophobicContact CG2-CD2 3.76Å; I697-F701 HydrophobicContact CG2-CE2 3.55Å; I697-F701 WeakPolarHBondContact O-CD2 3.16Å; I697-F701 PolarHBondContact O-N 3.32Å; I697-F701 VanDerWaalsContact O-N 3.09Å; Q698-F701 PolarHBondContact O-N 3.38Å; Q698-F701 VanDerWaalsContact O-N 3.14Å; D699-F701 VanDerWaalsContact C-N 3.35Å; D699-F701 PolarHBondContact O-N 3.32Å; F701-M704 HydrophobicContact CD1-CE 3.83Å; F701-M704 HydrophobicContact CE1-CE 4.15Å; F701-A705 WeakPolarHBondContact O-CB 3.4Å; F701-A705 PolarHBondContact O-N 3.36Å |
| 702 | V | 93.7 | Very high | 90 | Very high | 48 Ų | 48 | 44.8 Ų | 44.8 | 29% | 0.291 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.4 | -44.1 | 178.7 | 179.8 | 0 | 0 | 0 | 0 | 111 | V395 L398 Q698 D699 A705 T706 | V395-V702 HydrophobicContact CG1-CB 4.08Å; V395-V702 HydrophobicContact CG1-CG1 4.09Å; V395-V702 HydrophobicContact CG2-CG1 3.93Å; L398-V702 HydrophobicContact CD1-CG1 4.02Å; Q698-V702 HydrophobicContact CG-CG2 4.37Å; Q698-V702 WeakPolarHBondContact O-CG2 3.29Å; Q698-V702 PolarHBondContact O-N 2.88Å; D699-V702 PolarHBondContact O-N 3.46Å; V702-A705 PolarHBondContact O-N 2.74Å; V702-T706 HydrophobicContact CG1-CG2 4.33Å; V702-T706 WeakPolarHBondContact O-CB 3.5Å; V702-T706 VanDerWaalsContact O-CG2 3.28Å; V702-T706 WeakPolarHBondContact O-CG2 3.44Å; V702-T706 PolarHBondContact O-N 3.18Å; V702-T706 PolarHBondContact O-OG1 2.91Å |
| 703 | A | 92.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | V395 D699 A705 T706 M707 I758 | V395-A703 HydrophobicContact CG1-CB 4.31Å; V395-A703 HydrophobicContact CG2-CB 4.42Å; D699-A703 WeakPolarHBondContact O-CB 3.3Å; D699-A703 PolarHBondContact O-N 3.13Å; A703-A705 PolarHBondContact O-N 3.12Å; A703-T706 WeakPolarHBondContact CA-OG1 3.37Å; A703-T706 PolarHBondContact O-N 3.23Å; A703-T706 PolarHBondContact O-OG1 3.44Å; A703-M707 WeakPolarHBondContact O-CB 3.48Å; A703-M707 VanDerWaalsContact O-CG 3.23Å; A703-M707 WeakPolarHBondContact O-CG 3.49Å; A703-M707 PolarHBondContact O-N 3.09Å; A703-I758 HydrophobicContact CB-CB 4.32Å; A703-I758 HydrophobicContact CB-CD1 3.69Å; A703-I758 HydrophobicContact CB-CG2 3.97Å |
| 704 | M | 90.1 | Very high | 89.6 | Confident | 26 Ų | 26 | 44.9 Ų | 44.9 | 13% | 0.128 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.7 | -45.2 | 175.5 | -72.1 | -167.5 | -57.7 | 0 | 0 | 112.3 | I700 F701 T706 M707 V708 I728 V729 I758 | I700-M704 HydrophobicContact CG2-CE 3.77Å; I700-M704 HydrophobicContact CG2-CG 4.28Å; I700-M704 HydrophobicContact CG2-SD 4.1Å; I700-M704 VanDerWaalsContact O-CB 3.3Å; I700-M704 WeakPolarHBondContact O-CB 3.31Å; I700-M704 WeakPolarHBondContact O-CG 3.41Å; I700-M704 PolarHBondContact O-N 3.1Å; F701-M704 HydrophobicContact CD1-CE 3.83Å; F701-M704 HydrophobicContact CE1-CE 4.15Å; M704-T706 VanDerWaalsContact C-N 3.35Å; M704-T706 PolarHBondContact O-N 3.45Å; M704-M707 PolarHBondContact O-N 3.25Å; M704-V708 WeakPolarHBondContact O-CB 3.38Å; M704-V708 VanDerWaalsContact O-CG2 3.29Å; M704-V708 WeakPolarHBondContact O-CG2 3.45Å; M704-V708 PolarHBondContact O-N 3.15Å; M704-I728 HydrophobicContact CG-CG2 3.87Å; M704-I728 HydrophobicContact SD-CG2 4.36Å; M704-V729 HydrophobicContact CE-CG2 4.19Å; M704-V729 HydrophobicContact SD-CB 4.3Å; M704-V729 HydrophobicContact SD-CG2 3.38Å; M704-V729 WeakPolarHBondContact SD-CG2 3.12Å; M704-I758 HydrophobicContact CG-CD1 4.49Å |
| 705 | A | 92.3 | Very high | 89.2 | Confident | 61 Ų | 61 | 39.3 Ų | 39.3 | 50% | 0.504 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.9 | -42 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F701 V702 A703 L709 | F701-A705 WeakPolarHBondContact O-CB 3.4Å; F701-A705 PolarHBondContact O-N 3.36Å; V702-A705 PolarHBondContact O-N 2.74Å; A703-A705 PolarHBondContact O-N 3.12Å; A705-L709 WeakPolarHBondContact O-CB 3.33Å; A705-L709 PolarHBondContact O-N 3.48Å |
| 706 | T | 92.3 | Very high | 88.1 | Confident | 38 Ų | 38 | 40.7 Ų | 40.7 | 23% | 0.233 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.7 | -43.5 | 176.6 | 52.1 | 0 | 0 | 0 | 0 | 111.6 | V702 A703 M704 L709 V710 | V702-T706 HydrophobicContact CG1-CG2 4.33Å; V702-T706 WeakPolarHBondContact O-CB 3.5Å; V702-T706 VanDerWaalsContact O-CG2 3.28Å; V702-T706 WeakPolarHBondContact O-CG2 3.44Å; V702-T706 PolarHBondContact O-N 3.18Å; V702-T706 PolarHBondContact O-OG1 2.91Å; A703-T706 WeakPolarHBondContact CA-OG1 3.37Å; A703-T706 PolarHBondContact O-N 3.23Å; A703-T706 PolarHBondContact O-OG1 3.44Å; M704-T706 VanDerWaalsContact C-N 3.35Å; M704-T706 PolarHBondContact O-N 3.45Å; T706-L709 WeakPolarHBondContact O-CB 3.28Å; T706-L709 PolarHBondContact O-N 2.92Å; T706-V710 WeakPolarHBondContact O-CG2 3.15Å; T706-V710 PolarHBondContact O-N 3.17Å |
| 707 | M | 91 | Very high | 87.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.7 | -45.9 | 175.8 | -68.1 | -40.9 | 111.4 | 0 | 0 | 111.9 | T388 L391 A703 M704 L709 V710 V711 I728 I758 V762 | T388-M707 VanDerWaalsContact CA-SD 3.52Å; T388-M707 WeakPolarHBondContact CB-SD 3.46Å; T388-M707 HydrophobicContact CG2-SD 3.72Å; T388-M707 WeakPolarHBondContact O-CE 3.22Å; T388-M707 VanDerWaalsContact O-SD 3.39Å; L391-M707 HydrophobicContact CB-CE 4.16Å; A703-M707 WeakPolarHBondContact O-CB 3.48Å; A703-M707 VanDerWaalsContact O-CG 3.23Å; A703-M707 WeakPolarHBondContact O-CG 3.49Å; A703-M707 PolarHBondContact O-N 3.09Å; M704-M707 PolarHBondContact O-N 3.25Å; M707-L709 VanDerWaalsContact C-N 3.32Å; M707-L709 PolarHBondContact O-N 2.92Å; M707-V710 PolarHBondContact O-N 3.28Å; M707-V711 WeakPolarHBondContact O-CB 3.45Å; M707-V711 VanDerWaalsContact O-CG2 3.26Å; M707-V711 WeakPolarHBondContact O-CG2 3.15Å; M707-V711 PolarHBondContact O-N 3.29Å; M707-I728 HydrophobicContact CB-CD1 4.12Å; M707-I758 HydrophobicContact CG-CG2 3.65Å; M707-V762 HydrophobicContact CB-CG2 3.97Å; M707-V762 HydrophobicContact CG-CG2 3.81Å; M707-V762 HydrophobicContact SD-CG2 4.18Å |
| 708 | V | 89.4 | Confident | 87.1 | Confident | 31 Ų | 31 | 46.1 Ų | 46.1 | 19% | 0.188 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.9 | -41.2 | 177.3 | 169.1 | 0 | 0 | 0 | 0 | 111 | M704 V711 M712 V721 | M704-V708 WeakPolarHBondContact O-CB 3.38Å; M704-V708 VanDerWaalsContact O-CG2 3.29Å; M704-V708 WeakPolarHBondContact O-CG2 3.45Å; M704-V708 PolarHBondContact O-N 3.15Å; V708-V711 PolarHBondContact O-N 3.03Å; V708-M712 HydrophobicContact CG1-CE 3.62Å; V708-M712 HydrophobicContact CG1-CG 4.48Å; V708-M712 HydrophobicContact CG1-SD 4.32Å; V708-M712 WeakPolarHBondContact O-CB 3.36Å; V708-M712 VanDerWaalsContact O-CG 3.24Å; V708-M712 WeakPolarHBondContact O-CG 3.31Å; V708-M712 PolarHBondContact O-N 3.22Å; V708-V721 HydrophobicContact CG1-CG1 3.81Å |
| 709 | L | 90 | Very high | 86.6 | Confident | 110 Ų | 110 | 48.5 Ų | 48.5 | 58% | 0.576 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.5 | -44.4 | 175.2 | -174.5 | 79 | 0 | 0 | 0 | 111.8 | A705 T706 M707 M712 L713 | A705-L709 WeakPolarHBondContact O-CB 3.33Å; A705-L709 PolarHBondContact O-N 3.48Å; T706-L709 WeakPolarHBondContact O-CB 3.28Å; T706-L709 PolarHBondContact O-N 2.92Å; M707-L709 VanDerWaalsContact C-N 3.32Å; M707-L709 PolarHBondContact O-N 2.92Å; L709-M712 WeakPolarHBondContact O-CB 3.35Å; L709-M712 PolarHBondContact O-N 3.43Å; L709-L713 PolarHBondContact O-N 2.82Å |
| 710 | V | 88.8 | Confident | 86.2 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.4 | -48.6 | 176.1 | 171.8 | 0 | 0 | 0 | 0 | 110.2 | L387 T388 L391 T706 M707 M712 L713 F714 | L387-V710 HydrophobicContact CD2-CG1 3.79Å; L387-V710 HydrophobicContact CD2-CG2 3.97Å; L387-V710 HydrophobicContact CG-CG1 4.22Å; L387-V710 HydrophobicContact CG-CG2 4.1Å; T388-V710 HydrophobicContact CG2-CB 4.28Å; T388-V710 HydrophobicContact CG2-CG1 3.76Å; L391-V710 HydrophobicContact CD1-CG2 3.62Å; T706-V710 WeakPolarHBondContact O-CG2 3.15Å; T706-V710 PolarHBondContact O-N 3.17Å; M707-V710 PolarHBondContact O-N 3.28Å; V710-M712 VanDerWaalsContact C-N 3.28Å; V710-M712 PolarHBondContact O-N 3.5Å; V710-L713 WeakPolarHBondContact O-CB 3.38Å; V710-L713 PolarHBondContact O-N 3.3Å; V710-F714 HydrophobicContact CG1-CD2 4.32Å; V710-F714 HydrophobicContact CG1-CE2 4.17Å; V710-F714 WeakPolarHBondContact O-CD2 3.28Å |
| 711 | V | 86.5 | Confident | 86 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.7 | -36.4 | 179.1 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | M707 V708 L713 F714 M715 V721 V724 V762 | M707-V711 WeakPolarHBondContact O-CB 3.45Å; M707-V711 VanDerWaalsContact O-CG2 3.26Å; M707-V711 WeakPolarHBondContact O-CG2 3.15Å; M707-V711 PolarHBondContact O-N 3.29Å; V708-V711 PolarHBondContact O-N 3.03Å; V711-L713 VanDerWaalsContact C-N 3.27Å; V711-L713 PolarHBondContact O-N 3.14Å; V711-F714 PolarHBondContact O-N 3.3Å; V711-M715 HydrophobicContact CG1-CB 4.36Å; V711-M715 HydrophobicContact CG1-CG 3.81Å; V711-M715 HydrophobicContact CG1-SD 3.39Å; V711-M715 WeakPolarHBondContact CG1-SD 3.25Å; V711-M715 WeakPolarHBondContact O-CB 3.33Å; V711-M715 PolarHBondContact O-N 2.84Å; V711-V721 HydrophobicContact CG1-CG2 4.32Å; V711-V724 HydrophobicContact CG1-CB 4.36Å; V711-V724 HydrophobicContact CG1-CG1 4.21Å; V711-V724 HydrophobicContact CG1-CG2 4.24Å; V711-V724 HydrophobicContact CG2-CG1 4.15Å; V711-V762 HydrophobicContact CG2-CG1 3.92Å |
| 712 | M | 87.8 | Confident | 85.7 | Confident | 71 Ų | 71 | 43.1 Ų | 43.1 | 35% | 0.35 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.6 | -31.2 | 172.7 | -76.7 | 178.1 | 179.9 | 0 | 0 | 113.6 | F3 V708 L709 V710 F714 V721 | F3-M712 WeakPolarHBondContact CD1-O 3.49Å; V708-M712 HydrophobicContact CG1-CE 3.62Å; V708-M712 HydrophobicContact CG1-CG 4.48Å; V708-M712 HydrophobicContact CG1-SD 4.32Å; V708-M712 WeakPolarHBondContact O-CB 3.36Å; V708-M712 VanDerWaalsContact O-CG 3.24Å; V708-M712 WeakPolarHBondContact O-CG 3.31Å; V708-M712 PolarHBondContact O-N 3.22Å; L709-M712 WeakPolarHBondContact O-CB 3.35Å; L709-M712 PolarHBondContact O-N 3.43Å; V710-M712 VanDerWaalsContact C-N 3.28Å; V710-M712 PolarHBondContact O-N 3.5Å; M712-F714 VanDerWaalsContact C-N 3.32Å; M712-V721 HydrophobicContact CE-CG1 3.63Å; M712-V721 HydrophobicContact CG-CB 4.28Å; M712-V721 HydrophobicContact CG-CG1 3.39Å; M712-V721 HydrophobicContact CG-CG2 3.97Å; M712-V721 HydrophobicContact SD-CG1 4.36Å |
| 713 | L | 84.5 | Confident | 85.4 | Confident | 64 Ų | 64 | 42.6 Ų | 42.6 | 34% | 0.335 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -69 | -32 | 178.3 | -68.6 | 171.1 | 0 | 0 | 0 | 112.3 | F3 F6 L709 V710 V711 | F3-L713 HydrophobicContact CE1-CD2 4.39Å; F6-L713 HydrophobicContact CD1-CB 4.33Å; F6-L713 HydrophobicContact CE1-CB 4.45Å; L709-L713 PolarHBondContact O-N 2.82Å; V710-L713 WeakPolarHBondContact O-CB 3.38Å; V710-L713 PolarHBondContact O-N 3.3Å; V711-L713 VanDerWaalsContact C-N 3.27Å; V711-L713 PolarHBondContact O-N 3.14Å |
| 714 | F | 79.9 | Confident | 85.2 | Confident | 9 Ų | 9 | 42.6 Ų | 42.6 | 4% | 0.039 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -101.7 | -30.2 | -175.7 | -66.7 | -86.2 | 0 | 0 | 0 | 113.6 | F6 V380 L383 I384 L387 V710 V711 M712 | F6-F714 HydrophobicContact CD1-CD1 4.28Å; F6-F714 HydrophobicContact CD1-CE1 4.14Å; F6-F714 HydrophobicContact CD1-CZ 4.44Å; F6-F714 HydrophobicContact CE1-CD1 4.31Å; F6-F714 AromaticContact CE1-CE1 3.74Å; F6-F714 HydrophobicContact CE1-CE1 3.74Å; F6-F714 HydrophobicContact CE1-CE2 4.22Å; F6-F714 AromaticContact CE1-CZ 3.7Å; F6-F714 HydrophobicContact CE1-CZ 3.7Å; V380-F714 HydrophobicContact CG1-CD1 4Å; V380-F714 HydrophobicContact CG1-CE1 4.27Å; L383-F714 HydrophobicContact CD2-CE1 4.16Å; L383-F714 HydrophobicContact CD2-CZ 3.82Å; L383-F714 HydrophobicContact CG-CZ 4.07Å; I384-F714 HydrophobicContact CD1-CB 3.73Å; I384-F714 HydrophobicContact CD1-CD1 3.78Å; I384-F714 HydrophobicContact CD1-CD2 4.07Å; I384-F714 HydrophobicContact CD1-CE1 4.37Å; I384-F714 HydrophobicContact CD1-CG 3.6Å; I384-F714 HydrophobicContact CG1-CB 4.15Å; I384-F714 HydrophobicContact CG1-CD1 3.72Å; I384-F714 HydrophobicContact CG1-CD2 3.48Å; I384-F714 VanDerWaalsContact CG1-CD2 3.48Å; I384-F714 HydrophobicContact CG1-CE1 3.87Å; I384-F714 HydrophobicContact CG1-CE2 3.65Å; I384-F714 HydrophobicContact CG1-CG 3.51Å; I384-F714 HydrophobicContact CG1-CZ 3.83Å; L387-F714 HydrophobicContact CD2-CE2 4.42Å; V710-F714 HydrophobicContact CG1-CD2 4.32Å; V710-F714 HydrophobicContact CG1-CE2 4.17Å; V710-F714 WeakPolarHBondContact O-CD2 3.28Å; V711-F714 PolarHBondContact O-N 3.3Å; M712-F714 VanDerWaalsContact C-N 3.32Å |
| 715 | M | 78.5 | Confident | 85.2 | Confident | 12 Ų | 12 | 42.1 Ų | 42.1 | 6% | 0.059 | 22% | 0.223 | C | C | . | . | trans | -99.9 | 126.6 | -180 | -58.3 | -168.5 | 79.4 | 0 | 0 | 111.3 | V711 V721 V724 T769 Y770 | V711-M715 HydrophobicContact CG1-CB 4.36Å; V711-M715 HydrophobicContact CG1-CG 3.81Å; V711-M715 HydrophobicContact CG1-SD 3.39Å; V711-M715 WeakPolarHBondContact CG1-SD 3.25Å; V711-M715 WeakPolarHBondContact O-CB 3.33Å; V711-M715 PolarHBondContact O-N 2.84Å; M715-V721 HydrophobicContact CB-CG2 4.04Å; M715-V724 HydrophobicContact SD-CG2 4.24Å; M715-T769 HydrophobicContact CE-CG2 3.87Å; M715-Y770 VanDerWaalsContact CE-CA 3.48Å; M715-Y770 HydrophobicContact CE-CD2 4.48Å | ||
| 716 | S | 68.8 | Low | 85.1 | Confident | 39 Ų | 39 | 42.7 Ų | 42.7 | 27% | 0.273 | 22% | 0.217 | S | C | . | . | trans | -83.9 | -15.6 | -179 | -172.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 717 | S | 76.7 | Confident | 85.1 | Confident | 32 Ų | 32 | 40.9 Ų | 40.9 | 22% | 0.224 | 21% | 0.205 | C | C | . | . | trans | -92.3 | 114.6 | -175.9 | 173.9 | 0 | 0 | 0 | 0 | 110.5 | W719 S720 V721 | S717-W719 PolarHBondContact O-N 3.39Å; S717-S720 WeakPolarHBondContact CB-OG 3.42Å; S717-S720 WeakPolarHBondContact O-CB 3.12Å; S717-S720 PolarHBondContact O-N 3.5Å; S717-S720 VanDerWaalsContact O-N 3.12Å; S717-S720 PolarHBondContact OG-N 3.16Å; S717-S720 PolarHBondContact OG-OG 3.24Å; S717-V721 WeakPolarHBondContact O-CG2 3.4Å; S717-V721 PolarHBondContact O-N 2.76Å; S717-V721 VanDerWaalsContact O-N 3.11Å | ||
| 718 | Y | 81.1 | Confident | 85.1 | Confident | 168 Ų | 168 | 41 Ų | 41 | 66% | 0.659 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -54.2 | -40.5 | 175.3 | 173.9 | -96 | 0 | 0 | 0 | 112.2 | V721 A722 | Y718-V721 PolarHBondContact O-N 2.86Å; Y718-A722 PolarHBondContact O-N 2.87Å |
| 719 | W | 80.7 | Confident | 85.2 | Confident | 148 Ų | 148 | 42.4 Ų | 42.4 | 56% | 0.561 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -64 | -42.2 | 178.1 | -69.6 | 111.2 | 0 | 0 | 0 | 112.3 | S717 V721 A722 W723 | S717-W719 PolarHBondContact O-N 3.39Å; W719-V721 VanDerWaalsContact C-N 3.34Å; W719-V721 PolarHBondContact O-N 3.1Å; W719-A722 PolarHBondContact O-N 3.34Å; W719-W723 PolarHBondContact O-N 3.2Å |
| 720 | S | 82.1 | Confident | 85.4 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.2 | -43.2 | 178.2 | -60.8 | 0 | 0 | 0 | 0 | 111.4 | S717 W723 V724 S773 | S717-S720 WeakPolarHBondContact CB-OG 3.42Å; S717-S720 WeakPolarHBondContact O-CB 3.12Å; S717-S720 PolarHBondContact O-N 3.5Å; S717-S720 VanDerWaalsContact O-N 3.12Å; S717-S720 PolarHBondContact OG-N 3.16Å; S717-S720 PolarHBondContact OG-OG 3.24Å; S720-W723 PolarHBondContact O-N 2.97Å; S720-V724 VanDerWaalsContact O-CG2 3.23Å; S720-V724 WeakPolarHBondContact O-CG2 3.23Å; S720-V724 PolarHBondContact O-N 3.49Å; S720-S773 WeakPolarHBondContact OG-CB 3.3Å |
| 721 | V | 86.4 | Confident | 85.6 | Confident | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.03 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.7 | -46.5 | 175.6 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | V708 V711 M712 M715 S717 Y718 W719 W723 V724 G725 | V708-V721 HydrophobicContact CG1-CG1 3.81Å; V711-V721 HydrophobicContact CG1-CG2 4.32Å; M712-V721 HydrophobicContact CE-CG1 3.63Å; M712-V721 HydrophobicContact CG-CB 4.28Å; M712-V721 HydrophobicContact CG-CG1 3.39Å; M712-V721 HydrophobicContact CG-CG2 3.97Å; M712-V721 HydrophobicContact SD-CG1 4.36Å; M715-V721 HydrophobicContact CB-CG2 4.04Å; S717-V721 WeakPolarHBondContact O-CG2 3.4Å; S717-V721 PolarHBondContact O-N 2.76Å; S717-V721 VanDerWaalsContact O-N 3.11Å; Y718-V721 PolarHBondContact O-N 2.86Å; W719-V721 VanDerWaalsContact C-N 3.34Å; W719-V721 PolarHBondContact O-N 3.1Å; V721-W723 VanDerWaalsContact C-N 3.31Å; V721-W723 PolarHBondContact O-N 2.72Å; V721-V724 WeakPolarHBondContact O-CB 3.24Å; V721-V724 PolarHBondContact O-N 3.42Å; V721-G725 PolarHBondContact O-N 3.01Å |
| 722 | A | 87.1 | Confident | 85.9 | Confident | 35 Ų | 35 | 37.1 Ų | 37.1 | 29% | 0.289 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.5 | -42.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y718 W719 G725 I726 | Y718-A722 PolarHBondContact O-N 2.87Å; W719-A722 PolarHBondContact O-N 3.34Å; A722-G725 PolarHBondContact O-N 2.89Å; A722-I726 WeakPolarHBondContact O-CG1 3.46Å; A722-I726 PolarHBondContact O-N 3.42Å |
| 723 | W | 86.8 | Confident | 86.1 | Confident | 36 Ų | 36 | 35.6 Ų | 35.6 | 14% | 0.136 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.9 | -37.5 | 175.9 | -80.6 | 111.5 | 0 | 0 | 0 | 113.1 | W719 S720 V721 G725 I726 A727 L840 L841 I844 | W719-W723 PolarHBondContact O-N 3.2Å; S720-W723 PolarHBondContact O-N 2.97Å; V721-W723 VanDerWaalsContact C-N 3.31Å; V721-W723 PolarHBondContact O-N 2.72Å; W723-G725 VanDerWaalsContact C-N 3.32Å; W723-G725 PolarHBondContact O-N 3.45Å; W723-I726 HydrophobicContact CD2-CD1 4.46Å; W723-I726 HydrophobicContact CE3-CB 4.37Å; W723-I726 HydrophobicContact CE3-CD1 4.08Å; W723-I726 HydrophobicContact CE3-CG2 4.37Å; W723-I726 HydrophobicContact CZ3-CD1 4.14Å; W723-I726 HydrophobicContact CZ3-CG2 4.24Å; W723-I726 PolarHBondContact O-N 2.99Å; W723-A727 WeakPolarHBondContact O-CB 3.31Å; W723-A727 PolarHBondContact O-N 3.43Å; W723-L840 HydrophobicContact CE3-CD1 4.44Å; W723-L840 HydrophobicContact CZ3-CB 4.26Å; W723-L840 HydrophobicContact CZ3-CD1 3.97Å; W723-L840 HydrophobicContact CZ3-CG 4.5Å; W723-L841 HydrophobicContact CB-CD2 3.98Å; W723-L841 HydrophobicContact CG-CD2 3.81Å; W723-I844 HydrophobicContact CH2-CD1 3.76Å; W723-I844 HydrophobicContact CZ2-CB 4.48Å; W723-I844 HydrophobicContact CZ2-CD1 3.3Å; W723-I844 HydrophobicContact CZ2-CG1 4.45Å; W723-I844 HydrophobicContact CZ2-CG2 4.34Å |
| 724 | V | 88.4 | Confident | 86.5 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60 | -45 | 172.2 | 174.7 | 0 | 0 | 0 | 0 | 110.3 | V711 M715 S720 V721 I726 A727 I728 I765 T769 | V711-V724 HydrophobicContact CG1-CB 4.36Å; V711-V724 HydrophobicContact CG1-CG1 4.21Å; V711-V724 HydrophobicContact CG1-CG2 4.24Å; V711-V724 HydrophobicContact CG2-CG1 4.15Å; M715-V724 HydrophobicContact SD-CG2 4.24Å; S720-V724 VanDerWaalsContact O-CG2 3.23Å; S720-V724 WeakPolarHBondContact O-CG2 3.23Å; S720-V724 PolarHBondContact O-N 3.49Å; V721-V724 WeakPolarHBondContact O-CB 3.24Å; V721-V724 PolarHBondContact O-N 3.42Å; V724-I726 PolarHBondContact O-N 2.99Å; V724-A727 WeakPolarHBondContact O-CB 3.33Å; V724-A727 PolarHBondContact O-N 2.93Å; V724-I728 HydrophobicContact CG1-CD1 3.95Å; V724-I728 HydrophobicContact CG1-CG1 4.49Å; V724-I728 VanDerWaalsContact O-CG1 3.29Å; V724-I728 WeakPolarHBondContact O-CG1 3.42Å; V724-I728 PolarHBondContact O-N 3.21Å; V724-I765 HydrophobicContact CB-CG2 4.26Å; V724-I765 HydrophobicContact CG1-CG2 4.17Å; V724-I765 HydrophobicContact CG2-CG2 3.97Å; V724-T769 HydrophobicContact CG2-CG2 3.98Å |
| 725 | G | 90 | Very high | 87.2 | Confident | 15 Ų | 15 | 32.1 Ų | 32.1 | 16% | 0.155 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.2 | -46.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V721 A722 W723 A727 I728 V729 | V721-G725 PolarHBondContact O-N 3.01Å; A722-G725 PolarHBondContact O-N 2.89Å; W723-G725 VanDerWaalsContact C-N 3.32Å; W723-G725 PolarHBondContact O-N 3.45Å; G725-A727 VanDerWaalsContact C-N 3.3Å; G725-A727 PolarHBondContact O-N 3.33Å; G725-I728 PolarHBondContact O-N 2.83Å; G725-V729 VanDerWaalsContact O-CG2 3.29Å; G725-V729 WeakPolarHBondContact O-CG2 2.89Å; G725-V729 PolarHBondContact O-N 2.89Å |
| 726 | I | 90.7 | Very high | 87.8 | Confident | 74 Ų | 74 | 32.3 Ų | 32.3 | 38% | 0.379 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.2 | -39.8 | 176.9 | -66.7 | 165.8 | 0 | 0 | 0 | 111.1 | A722 W723 V724 V729 S730 | A722-I726 WeakPolarHBondContact O-CG1 3.46Å; A722-I726 PolarHBondContact O-N 3.42Å; W723-I726 HydrophobicContact CD2-CD1 4.46Å; W723-I726 HydrophobicContact CE3-CB 4.37Å; W723-I726 HydrophobicContact CE3-CD1 4.08Å; W723-I726 HydrophobicContact CE3-CG2 4.37Å; W723-I726 HydrophobicContact CZ3-CD1 4.14Å; W723-I726 HydrophobicContact CZ3-CG2 4.24Å; W723-I726 PolarHBondContact O-N 2.99Å; V724-I726 PolarHBondContact O-N 2.99Å; I726-V729 PolarHBondContact O-N 3.05Å; I726-S730 WeakPolarHBondContact O-CB 3.26Å; I726-S730 PolarHBondContact O-N 3.3Å |
| 727 | A | 91.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.5 | -45.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | W723 V724 G725 V729 S730 I731 I765 M837 | W723-A727 WeakPolarHBondContact O-CB 3.31Å; W723-A727 PolarHBondContact O-N 3.43Å; V724-A727 WeakPolarHBondContact O-CB 3.33Å; V724-A727 PolarHBondContact O-N 2.93Å; G725-A727 VanDerWaalsContact C-N 3.3Å; G725-A727 PolarHBondContact O-N 3.33Å; A727-V729 VanDerWaalsContact C-N 3.34Å; A727-V729 PolarHBondContact O-N 2.98Å; A727-S730 WeakPolarHBondContact O-CB 3.36Å; A727-S730 PolarHBondContact O-N 3.05Å; A727-I731 VanDerWaalsContact O-CG1 3.31Å; A727-I731 WeakPolarHBondContact O-CG1 3.3Å; A727-I731 PolarHBondContact O-N 2.57Å; A727-I765 HydrophobicContact CB-CB 4.49Å; A727-I765 HydrophobicContact CB-CD1 3.4Å; A727-I765 VanDerWaalsContact CB-CD1 3.4Å; A727-I765 HydrophobicContact CB-CG1 4Å; A727-I765 HydrophobicContact CB-CG2 3.71Å; A727-M837 HydrophobicContact CB-CE 3.18Å; A727-M837 HydrophobicContact CB-CG 4.33Å; A727-M837 HydrophobicContact CB-SD 3.68Å |
| 728 | I | 91.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.8 | -46.7 | 178.7 | -66.3 | 163.5 | 0 | 0 | 0 | 110 | M704 M707 V724 G725 S730 I731 C732 I758 V762 I765 | M704-I728 HydrophobicContact CG-CG2 3.87Å; M704-I728 HydrophobicContact SD-CG2 4.36Å; M707-I728 HydrophobicContact CB-CD1 4.12Å; V724-I728 HydrophobicContact CG1-CD1 3.95Å; V724-I728 HydrophobicContact CG1-CG1 4.49Å; V724-I728 VanDerWaalsContact O-CG1 3.29Å; V724-I728 WeakPolarHBondContact O-CG1 3.42Å; V724-I728 PolarHBondContact O-N 3.21Å; G725-I728 PolarHBondContact O-N 2.83Å; I728-S730 VanDerWaalsContact C-N 3.32Å; I728-S730 PolarHBondContact O-N 2.96Å; I728-I731 PolarHBondContact O-N 3.42Å; I728-C732 PolarHBondContact O-N 3.28Å; I728-C732 PolarHBondContact O-SG 2.95Å; I728-I758 HydrophobicContact CG2-CG2 3.93Å; I728-V762 HydrophobicContact CD1-CG2 3.86Å; I728-V762 HydrophobicContact CG1-CG2 4.33Å; I728-I765 HydrophobicContact CG1-CD1 4.17Å |
| 729 | V | 91.5 | Very high | 90.2 | Very high | 61 Ų | 61 | 22.8 Ų | 22.8 | 37% | 0.37 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -58.5 | -46.3 | 176.8 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | M704 G725 I726 A727 I731 C732 L733 | M704-V729 HydrophobicContact CE-CG2 4.19Å; M704-V729 HydrophobicContact SD-CB 4.3Å; M704-V729 HydrophobicContact SD-CG2 3.38Å; M704-V729 WeakPolarHBondContact SD-CG2 3.12Å; G725-V729 VanDerWaalsContact O-CG2 3.29Å; G725-V729 WeakPolarHBondContact O-CG2 2.89Å; G725-V729 PolarHBondContact O-N 2.89Å; I726-V729 PolarHBondContact O-N 3.05Å; A727-V729 VanDerWaalsContact C-N 3.34Å; A727-V729 PolarHBondContact O-N 2.98Å; V729-I731 PolarHBondContact O-N 3.45Å; V729-C732 PolarHBondContact O-N 3.33Å; V729-L733 HydrophobicContact CG1-CD1 4.12Å; V729-L733 HydrophobicContact CG1-CG 4.47Å; V729-L733 VanDerWaalsContact O-CG 3.31Å; V729-L733 WeakPolarHBondContact O-CG 3.3Å; V729-L733 PolarHBondContact O-N 3.02Å |
| 730 | S | 93.6 | Very high | 90.6 | Very high | 3 Ų | 3 | 16.2 Ų | 16.2 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.6 | -39.9 | 179.7 | -178.6 | 0 | 0 | 0 | 0 | 112.9 | Y503 Y506 I726 A727 I728 G734 H832 | Y503-S730 WeakPolarHBondContact CE2-OG 3.31Å; Y503-S730 WeakPolarHBondContact OH-CB 3.15Å; Y503-S730 PolarHBondContact OH-OG 3.09Å; Y506-S730 WeakPolarHBondContact CE1-O 3.45Å; Y506-S730 VanDerWaalsContact CE1-OG 3.25Å; Y506-S730 WeakPolarHBondContact CE1-OG 3.39Å; Y506-S730 PolarHBondContact OH-O 3.12Å; I726-S730 WeakPolarHBondContact O-CB 3.26Å; I726-S730 PolarHBondContact O-N 3.3Å; A727-S730 WeakPolarHBondContact O-CB 3.36Å; A727-S730 PolarHBondContact O-N 3.05Å; I728-S730 VanDerWaalsContact C-N 3.32Å; I728-S730 PolarHBondContact O-N 2.96Å; S730-G734 PolarHBondContact O-N 3.01Å; S730-G734 VanDerWaalsContact O-N 3.12Å; S730-H832 WeakPolarHBondContact CB-NE2 3.45Å; S730-H832 PolarHBondContact OG-NE2 3.43Å |
| 731 | I | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.3 | -47.7 | 175 | -66.6 | 170.7 | 0 | 0 | 0 | 110.2 | A727 I728 V729 L733 G734 V735 I765 I828 H832 | A727-I731 VanDerWaalsContact O-CG1 3.31Å; A727-I731 WeakPolarHBondContact O-CG1 3.3Å; A727-I731 PolarHBondContact O-N 2.57Å; I728-I731 PolarHBondContact O-N 3.42Å; V729-I731 PolarHBondContact O-N 3.45Å; I731-L733 VanDerWaalsContact C-N 3.31Å; I731-L733 PolarHBondContact O-N 2.67Å; I731-G734 PolarHBondContact O-N 3.2Å; I731-G734 VanDerWaalsContact O-N 3.1Å; I731-V735 HydrophobicContact CG2-CG2 4.16Å; I731-V735 VanDerWaalsContact O-CG2 3.3Å; I731-V735 WeakPolarHBondContact O-CG2 3.49Å; I731-V735 PolarHBondContact O-N 3.34Å; I731-I765 HydrophobicContact CD1-CD1 3.25Å; I731-I765 HydrophobicContact CD1-CG1 3.98Å; I731-I765 HydrophobicContact CG1-CD1 4.46Å; I731-I828 HydrophobicContact CB-CG2 4.33Å; I731-I828 HydrophobicContact CG1-CG2 4.09Å; I731-I828 HydrophobicContact CG2-CG2 4.17Å; I731-H832 HydrophobicContact CD1-CB 3.99Å; I731-H832 HydrophobicContact CG1-CB 4.13Å |
| 732 | C | 91.9 | Very high | 91.3 | Very high | 5 Ų | 5 | 24.2 Ų | 24.2 | 3% | 0.034 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.8 | -44.4 | 178.9 | -66.1 | 0 | 0 | 0 | 0 | 111.8 | I728 V729 G734 V735 I736 I758 | I728-C732 PolarHBondContact O-N 3.28Å; I728-C732 PolarHBondContact O-SG 2.95Å; V729-C732 PolarHBondContact O-N 3.33Å; C732-G734 VanDerWaalsContact C-N 3.34Å; C732-G734 PolarHBondContact O-N 3.4Å; C732-V735 PolarHBondContact O-N 3.25Å; C732-I736 VanDerWaalsContact O-CG1 3.31Å; C732-I736 WeakPolarHBondContact O-CG1 3.2Å; C732-I736 PolarHBondContact O-N 3.08Å; C732-I758 VanDerWaalsContact SG-CG1 3.5Å |
| 733 | L | 92.8 | Very high | 91.3 | Very high | 38 Ų | 38 | 30.1 Ų | 30.1 | 20% | 0.199 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.9 | -44.2 | 175.5 | -72.6 | 172.7 | 0 | 0 | 0 | 112 | L514 V729 I731 G737 | L514-L733 HydrophobicContact CD1-CD2 3.65Å; L514-L733 HydrophobicContact CD2-CD2 4.44Å; L514-L733 HydrophobicContact CG-CD2 4.33Å; V729-L733 HydrophobicContact CG1-CD1 4.12Å; V729-L733 HydrophobicContact CG1-CG 4.47Å; V729-L733 VanDerWaalsContact O-CG 3.31Å; V729-L733 WeakPolarHBondContact O-CG 3.3Å; V729-L733 PolarHBondContact O-N 3.02Å; I731-L733 VanDerWaalsContact C-N 3.31Å; I731-L733 PolarHBondContact O-N 2.67Å; L733-G737 PolarHBondContact O-N 3.32Å |
| 734 | G | 93.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y506 S730 I731 C732 I738 | Y506-G734 VanDerWaalsContact OH-CA 3.22Å; Y506-G734 WeakPolarHBondContact OH-CA 3.37Å; Y506-G734 PolarHBondContact OH-N 3.39Å; S730-G734 PolarHBondContact O-N 3.01Å; S730-G734 VanDerWaalsContact O-N 3.12Å; I731-G734 PolarHBondContact O-N 3.2Å; I731-G734 VanDerWaalsContact O-N 3.1Å; C732-G734 VanDerWaalsContact C-N 3.34Å; C732-G734 PolarHBondContact O-N 3.4Å; G734-I738 VanDerWaalsContact O-CG1 3.3Å; G734-I738 WeakPolarHBondContact O-CG1 3.34Å; G734-I738 PolarHBondContact O-N 2.83Å |
| 735 | V | 92.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.7 | -53.2 | 178.2 | 174.5 | 0 | 0 | 0 | 0 | 110 | I731 C732 G737 I738 L739 T821 L824 V825 I828 | I731-V735 HydrophobicContact CG2-CG2 4.16Å; I731-V735 VanDerWaalsContact O-CG2 3.3Å; I731-V735 WeakPolarHBondContact O-CG2 3.49Å; I731-V735 PolarHBondContact O-N 3.34Å; C732-V735 PolarHBondContact O-N 3.25Å; V735-G737 VanDerWaalsContact C-N 3.34Å; V735-G737 PolarHBondContact O-N 3.02Å; V735-I738 PolarHBondContact O-N 3.4Å; V735-L739 HydrophobicContact CG1-CD1 3.9Å; V735-L739 HydrophobicContact CG1-CG 4.48Å; V735-L739 WeakPolarHBondContact O-CB 3.32Å; V735-L739 VanDerWaalsContact O-CG 3.22Å; V735-L739 WeakPolarHBondContact O-CG 3.46Å; V735-L739 PolarHBondContact O-N 3.21Å; V735-T821 HydrophobicContact CG1-CG2 3.95Å; V735-L824 HydrophobicContact CG2-CB 4.45Å; V735-V825 HydrophobicContact CG1-CG2 4.13Å; V735-V825 HydrophobicContact CG2-CG2 3.62Å; V735-I828 HydrophobicContact CG2-CD1 3.98Å |
| 736 | I | 91.8 | Very high | 91.1 | Very high | 17 Ų | 17 | 30.6 Ų | 30.6 | 9% | 0.087 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 180 | -63.5 | 169.7 | 0 | 0 | 0 | 110.8 | L514 V517 I700 C732 L739 S740 I746 I754 | L514-I736 HydrophobicContact CD2-CB 4.26Å; L514-I736 HydrophobicContact CD2-CG2 3.61Å; V517-I736 HydrophobicContact CG2-CG2 4.12Å; I700-I736 HydrophobicContact CD1-CD1 3.97Å; C732-I736 VanDerWaalsContact O-CG1 3.31Å; C732-I736 WeakPolarHBondContact O-CG1 3.2Å; C732-I736 PolarHBondContact O-N 3.08Å; I736-L739 PolarHBondContact O-N 3.08Å; I736-S740 WeakPolarHBondContact O-CB 3.39Å; I736-S740 PolarHBondContact O-N 3.24Å; I736-I746 HydrophobicContact CG2-CD1 4.1Å; I736-I754 HydrophobicContact CD1-CG2 4.28Å; I736-I754 HydrophobicContact CG1-CD1 4.04Å; I736-I754 HydrophobicContact CG1-CG1 4.45Å; I736-I754 HydrophobicContact CG1-CG2 4.3Å |
| 737 | G | 92.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.7 | -42.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | L733 V735 S740 F741 | L733-G737 PolarHBondContact O-N 3.32Å; V735-G737 VanDerWaalsContact C-N 3.34Å; V735-G737 PolarHBondContact O-N 3.02Å; G737-S740 WeakPolarHBondContact O-CB 3.4Å; G737-S740 PolarHBondContact O-N 3.34Å; G737-F741 WeakPolarHBondContact O-CD2 3.25Å; G737-F741 WeakPolarHBondContact O-CG 3.37Å; G737-F741 PolarHBondContact O-N 3.49Å; G737-F741 VanDerWaalsContact O-N 3.16Å |
| 738 | I | 93 | Very high | 90.4 | Very high | 33 Ų | 33 | 27.1 Ų | 27.1 | 17% | 0.169 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.6 | -40.2 | 176.2 | -63.1 | 172.4 | 0 | 0 | 0 | 111.3 | F510 G734 V735 S740 F741 W742 L824 I828 | F510-I738 HydrophobicContact CD1-CG1 4.24Å; F510-I738 HydrophobicContact CE1-CB 4.42Å; F510-I738 HydrophobicContact CE1-CD1 4.02Å; F510-I738 HydrophobicContact CE1-CG1 3.24Å; F510-I738 HydrophobicContact CZ-CD1 3.71Å; F510-I738 HydrophobicContact CZ-CG1 3.47Å; F510-I738 VanDerWaalsContact CZ-CG1 3.47Å; G734-I738 VanDerWaalsContact O-CG1 3.3Å; G734-I738 WeakPolarHBondContact O-CG1 3.34Å; G734-I738 PolarHBondContact O-N 2.83Å; V735-I738 PolarHBondContact O-N 3.4Å; I738-S740 VanDerWaalsContact C-N 3.26Å; I738-S740 PolarHBondContact O-N 3.33Å; I738-F741 PolarHBondContact O-N 3.01Å; I738-F741 VanDerWaalsContact O-N 3.13Å; I738-W742 HydrophobicContact CG2-CD2 3.84Å; I738-W742 HydrophobicContact CG2-CE3 4.28Å; I738-W742 HydrophobicContact CG2-CG 4.26Å; I738-W742 HydrophobicContact CG2-CH2 4.4Å; I738-W742 HydrophobicContact CG2-CZ2 3.93Å; I738-W742 PolarHBondContact O-N 3Å; I738-L824 HydrophobicContact CB-CD1 3.97Å; I738-L824 HydrophobicContact CB-CD2 4.12Å; I738-L824 HydrophobicContact CD1-CD2 3.81Å; I738-L824 HydrophobicContact CG2-CD1 3.81Å; I738-L824 HydrophobicContact CG2-CD2 3.65Å; I738-L824 HydrophobicContact CG2-CG 4.39Å; I738-I828 HydrophobicContact CD1-CD1 3.98Å |
| 739 | L | 91.5 | Very high | 90 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.6 | -40.8 | 175.7 | -72.3 | 175.4 | 0 | 0 | 0 | 111.6 | V735 I736 W742 H743 V744 I754 K820 T821 L824 | V735-L739 HydrophobicContact CG1-CD1 3.9Å; V735-L739 HydrophobicContact CG1-CG 4.48Å; V735-L739 WeakPolarHBondContact O-CB 3.32Å; V735-L739 VanDerWaalsContact O-CG 3.22Å; V735-L739 WeakPolarHBondContact O-CG 3.46Å; V735-L739 PolarHBondContact O-N 3.21Å; I736-L739 PolarHBondContact O-N 3.08Å; L739-W742 HydrophobicContact CD2-CE3 4.48Å; L739-W742 CarbonylContact O-C 3.53Å; L739-W742 PolarHBondContact O-N 3Å; L739-H743 PolarHBondContact O-N 3.48Å; L739-V744 HydrophobicContact CB-CB 4.29Å; L739-V744 HydrophobicContact CD2-CB 4.33Å; L739-V744 HydrophobicContact CD2-CG1 4.45Å; L739-V744 HydrophobicContact CD2-CG2 4.14Å; L739-V744 WeakPolarHBondContact O-CB 3.43Å; L739-V744 PolarHBondContact O-N 2.81Å; L739-I754 HydrophobicContact CD1-CD1 4.46Å; L739-I754 HydrophobicContact CD1-CG1 4.34Å; L739-K820 HydrophobicContact CD2-CB 4.28Å; L739-T821 HydrophobicContact CD1-CG2 4.4Å; L739-L824 HydrophobicContact CD2-CD1 3.81Å; L739-L824 HydrophobicContact CG-CD1 3.93Å |
| 740 | S | 90.1 | Very high | 89.8 | Confident | 9 Ų | 9 | 24.5 Ų | 24.5 | 6% | 0.063 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.2 | -47.6 | 172.7 | -178.4 | 0 | 0 | 0 | 0 | 112.1 | G513 T516 V517 I736 G737 I738 W742 H743 | G513-S740 WeakPolarHBondContact O-CB 3.2Å; G513-S740 PolarHBondContact O-OG 3.19Å; T516-S740 PolarHBondContact O-OG 3.48Å; T516-S740 PolarHBondContact OG1-OG 3.25Å; V517-S740 WeakPolarHBondContact CA-OG 3.33Å; V517-S740 PolarHBondContact N-OG 3.29Å; I736-S740 WeakPolarHBondContact O-CB 3.39Å; I736-S740 PolarHBondContact O-N 3.24Å; G737-S740 WeakPolarHBondContact O-CB 3.4Å; G737-S740 PolarHBondContact O-N 3.34Å; I738-S740 VanDerWaalsContact C-N 3.26Å; I738-S740 PolarHBondContact O-N 3.33Å; S740-W742 VanDerWaalsContact C-N 3.27Å; S740-W742 PolarHBondContact O-N 3.42Å; S740-H743 PolarHBondContact O-N 3.18Å |
| 741 | F | 90.9 | Very high | 89.5 | Confident | 66 Ų | 66 | 24.4 Ų | 24.4 | 29% | 0.289 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -67.7 | -25.1 | 176 | -62.5 | -43 | 0 | 0 | 0 | 113.9 | F509 F510 Y512 G513 G737 I738 H743 | F509-F741 AromaticContact CD1-CE2 3.98Å; F509-F741 HydrophobicContact CD1-CE2 3.98Å; F509-F741 AromaticContact CE1-CD2 3.93Å; F509-F741 HydrophobicContact CE1-CD2 3.93Å; F509-F741 AromaticContact CE1-CE2 3.25Å; F509-F741 HydrophobicContact CE1-CE2 3.25Å; F509-F741 HydrophobicContact CE1-CZ 4.03Å; F509-F741 HydrophobicContact CE2-CE2 4.31Å; F509-F741 HydrophobicContact CE2-CZ 4.31Å; F509-F741 HydrophobicContact CZ-CD2 4.1Å; F509-F741 AromaticContact CZ-CE2 3.44Å; F509-F741 HydrophobicContact CZ-CE2 3.44Å; F509-F741 VanDerWaalsContact CZ-CE2 3.44Å; F509-F741 AromaticContact CZ-CZ 3.84Å; F509-F741 HydrophobicContact CZ-CZ 3.84Å; F510-F741 HydrophobicContact CD1-CE2 4.13Å; F510-F741 HydrophobicContact CE1-CD2 4.36Å; F510-F741 HydrophobicContact CE1-CE2 4.07Å; Y512-F741 HydrophobicContact CD1-CE1 4.47Å; Y512-F741 HydrophobicContact CD1-CZ 4.34Å; G513-F741 VanDerWaalsContact CA-CZ 3.43Å; G737-F741 WeakPolarHBondContact O-CD2 3.25Å; G737-F741 WeakPolarHBondContact O-CG 3.37Å; G737-F741 PolarHBondContact O-N 3.49Å; G737-F741 VanDerWaalsContact O-N 3.16Å; I738-F741 PolarHBondContact O-N 3.01Å; I738-F741 VanDerWaalsContact O-N 3.13Å; F741-H743 PolarHBondContact O-N 2.82Å |
| 742 | W | 91 | Very high | 89.2 | Confident | 109 Ų | 109 | 25 Ų | 25 | 41% | 0.413 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 8.3 | 173.1 | -72.4 | -1.7 | 0 | 0 | 0 | 113.4 | I738 L739 S740 V744 K820 L824 | I738-W742 HydrophobicContact CG2-CD2 3.84Å; I738-W742 HydrophobicContact CG2-CE3 4.28Å; I738-W742 HydrophobicContact CG2-CG 4.26Å; I738-W742 HydrophobicContact CG2-CH2 4.4Å; I738-W742 HydrophobicContact CG2-CZ2 3.93Å; I738-W742 PolarHBondContact O-N 3Å; L739-W742 HydrophobicContact CD2-CE3 4.48Å; L739-W742 CarbonylContact O-C 3.53Å; L739-W742 PolarHBondContact O-N 3Å; S740-W742 VanDerWaalsContact C-N 3.27Å; S740-W742 PolarHBondContact O-N 3.42Å; W742-V744 HydrophobicContact CB-CG2 4.15Å; W742-V744 PolarHBondContact O-N 2.89Å; W742-K820 HydrophobicContact CE3-CB 4.03Å; W742-K820 HydrophobicContact CE3-CD 3.7Å; W742-K820 HydrophobicContact CE3-CG 3.83Å; W742-K820 HydrophobicContact CZ3-CB 3.71Å; W742-K820 HydrophobicContact CZ3-CD 4.03Å; W742-K820 HydrophobicContact CZ3-CG 3.6Å; W742-L824 HydrophobicContact CE3-CD1 4.05Å; W742-L824 HydrophobicContact CH2-CD1 4.23Å; W742-L824 HydrophobicContact CH2-CD2 3.68Å; W742-L824 HydrophobicContact CH2-CG 3.99Å; W742-L824 HydrophobicContact CZ2-CD2 4.2Å; W742-L824 HydrophobicContact CZ3-CD1 3.69Å; W742-L824 HydrophobicContact CZ3-CD2 4.02Å; W742-L824 HydrophobicContact CZ3-CG 3.85Å |
| 743 | H | 88.4 | Confident | 89 | Confident | 158 Ų | 158 | 24.8 Ų | 24.8 | 73% | 0.731 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55 | 32.6 | -177.6 | -57.5 | -62 | 0 | 0 | 0 | 113 | L739 S740 F741 | L739-H743 PolarHBondContact O-N 3.48Å; S740-H743 PolarHBondContact O-N 3.18Å; F741-H743 PolarHBondContact O-N 2.82Å |
| 744 | V | 86.7 | Confident | 88.8 | Confident | 7 Ų | 7 | 23 Ų | 23 | 4% | 0.042 | 11% | 0.105 | C | C | . | . | trans | -82.6 | 122.5 | 170.6 | 179.9 | 0 | 0 | 0 | 0 | 107.5 | L739 W742 T817 K820 | L739-V744 HydrophobicContact CB-CB 4.29Å; L739-V744 HydrophobicContact CD2-CB 4.33Å; L739-V744 HydrophobicContact CD2-CG1 4.45Å; L739-V744 HydrophobicContact CD2-CG2 4.14Å; L739-V744 WeakPolarHBondContact O-CB 3.43Å; L739-V744 PolarHBondContact O-N 2.81Å; W742-V744 HydrophobicContact CB-CG2 4.15Å; W742-V744 PolarHBondContact O-N 2.89Å; V744-T817 HydrophobicContact CG1-CG2 3.78Å; V744-K820 HydrophobicContact CG2-CD 4.22Å | ||
| 745 | H | 86.4 | Confident | 88.5 | Confident | 43 Ų | 43 | 23.3 Ų | 23.3 | 20% | 0.199 | 11% | 0.107 | C | C | . | . | trans | -70.9 | 140.1 | 175.6 | -73.8 | -110.6 | 0 | 0 | 0 | 109.8 | V518 G520 H525 D747 | V518-H745 VanDerWaalsContact CG1-CE1 3.42Å; V518-H745 WeakPolarHBondContact CG1-CE1 3.34Å; V518-H745 WeakPolarHBondContact CG1-ND1 3.21Å; V518-H745 WeakPolarHBondContact O-CA 3.46Å; G520-H745 WeakPolarHBondContact O-CB 3.44Å; H525-H745 AromaticContact CE1-CD2 3.92Å; H745-D747 PolarHBondContact O-N 2.89Å | ||
| 746 | I | 86.6 | Confident | 88.2 | Confident | 12 Ų | 12 | 23.4 Ų | 23.4 | 6% | 0.062 | 11% | 0.108 | C | C | . | . | B | Isolated β-bridge | trans | -77.7 | 104.2 | 169.2 | -60.7 | -169.7 | 0 | 0 | 0 | 108.2 | V517 V518 G520 V692 L696 I736 S750 | V517-I746 HydrophobicContact CB-CD1 4.45Å; V517-I746 HydrophobicContact CG1-CB 4.44Å; V517-I746 HydrophobicContact CG1-CD1 3.29Å; V517-I746 HydrophobicContact CG1-CG1 3.74Å; V517-I746 HydrophobicContact CG2-CD1 4.29Å; V518-I746 PolarHBondContact O-N 3.08Å; G520-I746 PolarHBondContact N-O 3.4Å; V692-I746 HydrophobicContact CG1-CG2 4.05Å; L696-I746 HydrophobicContact CD2-CD1 4.18Å; L696-I746 HydrophobicContact CD2-CG2 3.61Å; I736-I746 HydrophobicContact CG2-CD1 4.1Å; I746-S750 VanDerWaalsContact CA-OG 3.3Å; I746-S750 WeakPolarHBondContact CA-OG 3.39Å |
| 747 | D | 84.6 | Confident | 87.8 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | trans | -124.1 | -177.5 | 175.4 | 67.8 | 22 | 0 | 0 | 0 | 111.7 | L521 H745 I749 S750 M751 | L521-D747 HydrophobicContact CB-CB 3.99Å; L521-D747 HydrophobicContact CD1-CB 3.75Å; L521-D747 WeakPolarHBondContact CD1-OD2 3.18Å; L521-D747 HydrophobicContact CG-CB 4.49Å; H745-D747 PolarHBondContact O-N 2.89Å; D747-I749 PolarHBondContact O-N 3.5Å; D747-I749 WeakPolarHBondContact OD1-CA 3.31Å; D747-I749 WeakPolarHBondContact OD1-CB 3.37Å; D747-I749 PolarHBondContact OD1-N 2.74Å; D747-S750 PolarHBondContact N-OG 3.01Å; D747-S750 PolarHBondContact O-N 2.84Å; D747-S750 PolarHBondContact O-OG 3.24Å; D747-S750 PolarHBondContact OD1-N 3.45Å; D747-M751 PolarHBondContact O-N 2.89Å | ||
| 748 | M | 83.5 | Confident | 87.7 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.4 | -33.5 | 179.3 | -171.9 | -170.2 | 75.3 | 0 | 0 | 113.5 | F61 M335 F401 A403 V404 I752 | F61-M748 HydrophobicContact CD1-CE 3.33Å; F61-M748 HydrophobicContact CD1-SD 4.37Å; F61-M748 HydrophobicContact CE1-CE 3.73Å; F61-M748 HydrophobicContact CG-CE 4.33Å; M335-M748 HydrophobicContact CE-CE 3.83Å; M335-M748 HydrophobicContact SD-CE 4.42Å; F401-M748 HydrophobicContact CB-CG 4.12Å; F401-M748 HydrophobicContact CB-SD 3.7Å; F401-M748 HydrophobicContact CD1-CG 4.33Å; F401-M748 HydrophobicContact CD1-SD 3.98Å; F401-M748 HydrophobicContact CD2-CG 4.35Å; F401-M748 HydrophobicContact CG-CG 4.02Å; F401-M748 HydrophobicContact CG-SD 3.94Å; A403-M748 HydrophobicContact CB-CE 3.83Å; A403-M748 HydrophobicContact CB-SD 4.25Å; V404-M748 HydrophobicContact CG2-CE 4.45Å; V404-M748 HydrophobicContact CG2-CG 3.21Å; V404-M748 HydrophobicContact CG2-SD 3.75Å; M748-I752 PolarHBondContact O-N 3.1Å |
| 749 | I | 83.4 | Confident | 87.3 | Confident | 6 Ų | 6 | 21 Ų | 21 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -73 | -45.7 | 178.8 | -63.2 | 155.6 | 0 | 0 | 0 | 109.6 | M335 L526 D747 M751 I752 T753 M814 | M335-I749 HydrophobicContact SD-CG1 4.13Å; L526-I749 HydrophobicContact CD2-CD1 3.64Å; D747-I749 PolarHBondContact O-N 3.5Å; D747-I749 WeakPolarHBondContact OD1-CA 3.31Å; D747-I749 WeakPolarHBondContact OD1-CB 3.37Å; D747-I749 PolarHBondContact OD1-N 2.74Å; I749-M751 PolarHBondContact O-N 3.2Å; I749-I752 WeakPolarHBondContact O-CB 3.48Å; I749-I752 PolarHBondContact O-N 3.36Å; I749-T753 PolarHBondContact O-N 2.87Å; I749-M814 HydrophobicContact CD1-CB 4Å; I749-M814 HydrophobicContact CD1-CE 3.95Å; I749-M814 HydrophobicContact CD1-CG 3.7Å; I749-M814 HydrophobicContact CG1-CG 4.22Å; I749-M814 HydrophobicContact CG2-CG 4.06Å |
| 750 | S | 87.5 | Confident | 87 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.007 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.9 | -32.9 | 176 | 76.5 | 0 | 0 | 0 | 0 | 112.1 | I746 D747 T753 I754 | I746-S750 VanDerWaalsContact CA-OG 3.3Å; I746-S750 WeakPolarHBondContact CA-OG 3.39Å; D747-S750 PolarHBondContact N-OG 3.01Å; D747-S750 PolarHBondContact O-N 2.84Å; D747-S750 PolarHBondContact O-OG 3.24Å; D747-S750 PolarHBondContact OD1-N 3.45Å; S750-T753 WeakPolarHBondContact CA-OG1 3.36Å; S750-T753 PolarHBondContact O-N 2.81Å; S750-T753 PolarHBondContact O-OG1 2.77Å; S750-I754 WeakPolarHBondContact O-CB 3.25Å; S750-I754 WeakPolarHBondContact O-CD1 3.39Å; S750-I754 WeakPolarHBondContact O-CG1 3.4Å; S750-I754 PolarHBondContact O-N 3.44Å |
| 751 | M | 88 | Confident | 86.9 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.4 | -46.6 | 176.3 | -174.7 | -173.2 | 74.6 | 0 | 0 | 111 | T399 F401 V404 T695 L696 D747 I749 T753 I754 T755 | T399-M751 HydrophobicContact CG2-CE 3.43Å; T399-M751 VanDerWaalsContact CG2-CE 3.43Å; T399-M751 HydrophobicContact CG2-SD 4.19Å; F401-M751 HydrophobicContact CD2-CE 3.91Å; F401-M751 HydrophobicContact CD2-SD 4.5Å; F401-M751 HydrophobicContact CE2-CE 4.4Å; F401-M751 HydrophobicContact CE2-SD 4.42Å; V404-M751 HydrophobicContact CB-CE 4.27Å; V404-M751 HydrophobicContact CG1-CE 3.91Å; V404-M751 HydrophobicContact CG2-CE 3.65Å; T695-M751 HydrophobicContact CG2-SD 3.93Å; L696-M751 HydrophobicContact CB-CG 4.08Å; L696-M751 HydrophobicContact CD1-CB 4.4Å; L696-M751 HydrophobicContact CD1-CG 3.92Å; D747-M751 PolarHBondContact O-N 2.89Å; I749-M751 PolarHBondContact O-N 3.2Å; M751-T753 VanDerWaalsContact C-N 3.33Å; M751-T753 PolarHBondContact O-N 2.98Å; M751-I754 PolarHBondContact O-N 2.89Å; M751-T755 WeakPolarHBondContact O-CB 3.43Å; M751-T755 PolarHBondContact O-N 3.22Å; M751-T755 PolarHBondContact O-OG1 3.29Å; M751-T755 VanDerWaalsContact O-OG1 3.09Å |
| 752 | I | 86.1 | Confident | 86.7 | Confident | 11 Ų | 11 | 17.9 Ų | 17.9 | 6% | 0.056 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -56.1 | -49 | 174.2 | -67.2 | 167.1 | 0 | 0 | 0 | 110.6 | M335 V404 F407 M748 I749 T755 M756 | M335-I752 HydrophobicContact SD-CD1 4.44Å; V404-I752 HydrophobicContact CB-CD1 4.28Å; V404-I752 HydrophobicContact CB-CG1 4.19Å; V404-I752 HydrophobicContact CG1-CD1 4.27Å; V404-I752 HydrophobicContact CG1-CG1 3.69Å; V404-I752 HydrophobicContact CG2-CD1 3.86Å; V404-I752 HydrophobicContact CG2-CG1 3.86Å; F407-I752 HydrophobicContact CD1-CD1 4.18Å; F407-I752 HydrophobicContact CD1-CG2 3.47Å; F407-I752 VanDerWaalsContact CD1-CG2 3.47Å; F407-I752 HydrophobicContact CE1-CG2 3.25Å; F407-I752 HydrophobicContact CG-CD1 4.47Å; F407-I752 HydrophobicContact CZ-CG2 4.22Å; M748-I752 PolarHBondContact O-N 3.1Å; I749-I752 WeakPolarHBondContact O-CB 3.48Å; I749-I752 PolarHBondContact O-N 3.36Å; I752-T755 PolarHBondContact O-N 3.41Å; I752-M756 WeakPolarHBondContact O-CB 3.35Å; I752-M756 PolarHBondContact O-N 3.42Å |
| 753 | T | 87.7 | Confident | 86.3 | Confident | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.006 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -72 | -33 | -173.5 | 60.8 | 0 | 0 | 0 | 0 | 112.3 | I749 S750 M751 S757 F818 T821 | I749-T753 PolarHBondContact O-N 2.87Å; S750-T753 WeakPolarHBondContact CA-OG1 3.36Å; S750-T753 PolarHBondContact O-N 2.81Å; S750-T753 PolarHBondContact O-OG1 2.77Å; M751-T753 VanDerWaalsContact C-N 3.33Å; M751-T753 PolarHBondContact O-N 2.98Å; T753-S757 PolarHBondContact O-N 3.05Å; T753-F818 HydrophobicContact CG2-CB 4.25Å; T753-F818 HydrophobicContact CG2-CD2 3.57Å; T753-F818 HydrophobicContact CG2-CE2 4.31Å; T753-F818 HydrophobicContact CG2-CG 4.27Å; T753-T821 PolarHBondContact OG1-OG1 2.92Å; T753-T821 VanDerWaalsContact OG1-OG1 3.1Å |
| 754 | I | 89.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 6.1 Ų | 6.1 | 1% | 0.005 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -70 | -45 | 172.7 | -66.8 | 161.9 | 0 | 0 | 0 | 110.5 | L696 I700 I736 L739 S750 M751 M756 S757 I758 | L696-I754 HydrophobicContact CD1-CB 4.13Å; L696-I754 HydrophobicContact CD1-CD1 4.35Å; L696-I754 HydrophobicContact CD1-CG2 3.92Å; L696-I754 HydrophobicContact CD2-CD1 4.2Å; I700-I754 HydrophobicContact CD1-CG2 4.15Å; I700-I754 HydrophobicContact CG1-CG2 4.36Å; I736-I754 HydrophobicContact CD1-CG2 4.28Å; I736-I754 HydrophobicContact CG1-CD1 4.04Å; I736-I754 HydrophobicContact CG1-CG1 4.45Å; I736-I754 HydrophobicContact CG1-CG2 4.3Å; L739-I754 HydrophobicContact CD1-CD1 4.46Å; L739-I754 HydrophobicContact CD1-CG1 4.34Å; S750-I754 WeakPolarHBondContact O-CB 3.25Å; S750-I754 WeakPolarHBondContact O-CD1 3.39Å; S750-I754 WeakPolarHBondContact O-CG1 3.4Å; S750-I754 PolarHBondContact O-N 3.44Å; M751-I754 PolarHBondContact O-N 2.89Å; I754-M756 PolarHBondContact O-N 2.94Å; I754-S757 VanDerWaalsContact O-CB 3.26Å; I754-S757 WeakPolarHBondContact O-CB 3.3Å; I754-S757 PolarHBondContact O-N 3.03Å; I754-S757 VanDerWaalsContact O-N 3.09Å; I754-S757 PolarHBondContact O-OG 3.37Å; I754-I758 PolarHBondContact O-N 3.49Å |
| 755 | T | 86.9 | Confident | 86.2 | Confident | 6 Ų | 6 | 5.8 Ų | 5.8 | 4% | 0.037 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -63.4 | -44.4 | 177 | -60 | 0 | 0 | 0 | 0 | 111.1 | S392 M751 I752 S757 I758 | S392-T755 PolarHBondContact OG-O 3.44Å; M751-T755 WeakPolarHBondContact O-CB 3.43Å; M751-T755 PolarHBondContact O-N 3.22Å; M751-T755 PolarHBondContact O-OG1 3.29Å; M751-T755 VanDerWaalsContact O-OG1 3.09Å; I752-T755 PolarHBondContact O-N 3.41Å; T755-S757 PolarHBondContact O-N 2.89Å; T755-I758 WeakPolarHBondContact O-CB 3.17Å; T755-I758 PolarHBondContact O-N 2.97Å; T755-I758 VanDerWaalsContact O-N 3.1Å |
| 756 | M | 85.8 | Confident | 86 | Confident | 3 Ų | 3 | 4.2 Ų | 4.2 | 2% | 0.015 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -55.5 | -37 | 171.9 | 175.7 | -172.7 | 85.3 | 0 | 0 | 112.6 | L342 F393 I752 I754 I758 G759 L760 F818 V822 | L342-M756 HydrophobicContact CD1-CE 3.98Å; L342-M756 HydrophobicContact CD1-CG 3.87Å; L342-M756 HydrophobicContact CD1-SD 3.09Å; L342-M756 WeakPolarHBondContact CD1-SD 3.42Å; F393-M756 HydrophobicContact CE1-CB 4Å; F393-M756 HydrophobicContact CE1-CG 3.89Å; F393-M756 HydrophobicContact CE1-SD 4.25Å; F393-M756 HydrophobicContact CE2-CG 4.46Å; F393-M756 HydrophobicContact CZ-CB 4.16Å; F393-M756 HydrophobicContact CZ-CG 3.57Å; F393-M756 HydrophobicContact CZ-SD 4Å; I752-M756 WeakPolarHBondContact O-CB 3.35Å; I752-M756 PolarHBondContact O-N 3.42Å; I754-M756 PolarHBondContact O-N 2.94Å; M756-I758 PolarHBondContact O-N 2.63Å; M756-G759 PolarHBondContact O-N 3.4Å; M756-L760 HydrophobicContact CE-CD1 4.33Å; M756-L760 HydrophobicContact CG-CD1 4.13Å; M756-L760 PolarHBondContact O-N 3.16Å; M756-F818 HydrophobicContact CE-CE2 4.06Å; M756-F818 HydrophobicContact CE-CZ 4.3Å; M756-F818 HydrophobicContact SD-CE2 3.96Å; M756-F818 HydrophobicContact SD-CZ 4.27Å; M756-V822 HydrophobicContact CE-CG2 3.43Å; M756-V822 VanDerWaalsContact CE-CG2 3.43Å |
| 757 | S | 85 | Confident | 85.6 | Confident | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -60 | -31.6 | 178.6 | 78.4 | 0 | 0 | 0 | 0 | 114.3 | T753 I754 T755 G759 S761 | T753-S757 PolarHBondContact O-N 3.05Å; I754-S757 VanDerWaalsContact O-CB 3.26Å; I754-S757 WeakPolarHBondContact O-CB 3.3Å; I754-S757 PolarHBondContact O-N 3.03Å; I754-S757 VanDerWaalsContact O-N 3.09Å; I754-S757 PolarHBondContact O-OG 3.37Å; T755-S757 PolarHBondContact O-N 2.89Å; S757-G759 VanDerWaalsContact C-N 3.35Å; S757-S761 WeakPolarHBondContact O-CB 3.5Å; S757-S761 PolarHBondContact O-N 3.23Å; S757-S761 PolarHBondContact O-OG 2.63Å |
| 758 | I | 88.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -63.5 | -45.9 | 178.8 | -66.8 | 170.1 | 0 | 0 | 0 | 109.4 | I700 A703 M704 M707 I728 C732 I754 T755 M756 S761 V762 | I700-I758 HydrophobicContact CB-CD1 4.23Å; I700-I758 HydrophobicContact CG1-CD1 4.08Å; I700-I758 HydrophobicContact CG2-CD1 4.17Å; A703-I758 HydrophobicContact CB-CB 4.32Å; A703-I758 HydrophobicContact CB-CD1 3.69Å; A703-I758 HydrophobicContact CB-CG2 3.97Å; M704-I758 HydrophobicContact CG-CD1 4.49Å; M707-I758 HydrophobicContact CG-CG2 3.65Å; I728-I758 HydrophobicContact CG2-CG2 3.93Å; C732-I758 VanDerWaalsContact SG-CG1 3.5Å; I754-I758 PolarHBondContact O-N 3.49Å; T755-I758 WeakPolarHBondContact O-CB 3.17Å; T755-I758 PolarHBondContact O-N 2.97Å; T755-I758 VanDerWaalsContact O-N 3.1Å; M756-I758 PolarHBondContact O-N 2.63Å; I758-S761 PolarHBondContact O-N 3.49Å; I758-S761 PolarHBondContact O-OG 3.25Å; I758-V762 WeakPolarHBondContact O-CG2 3.44Å |
| 759 | G | 85.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -58.4 | -58.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D389 M756 S757 S761 V762 | D389-G759 WeakPolarHBondContact OD1-CA 3.39Å; M756-G759 PolarHBondContact O-N 3.4Å; S757-G759 VanDerWaalsContact C-N 3.35Å; G759-S761 PolarHBondContact O-N 3.49Å; G759-S761 VanDerWaalsContact O-N 3.16Å; G759-V762 WeakPolarHBondContact O-CB 3.28Å; G759-V762 PolarHBondContact O-N 3.31Å; G759-V762 VanDerWaalsContact O-N 3.09Å |
| 760 | L | 84 | Confident | 85.1 | Confident | 14 Ų | 14 | 8.4 Ų | 8.4 | 7% | 0.073 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -61.2 | -28.7 | -177.8 | -66.1 | 175.9 | 0 | 0 | 0 | 113.2 | L342 V346 D389 M756 V762 V825 | L342-L760 HydrophobicContact CD1-CD1 4.22Å; V346-L760 HydrophobicContact CG2-CD2 4.01Å; D389-L760 PolarHBondContact OD1-N 3.08Å; M756-L760 HydrophobicContact CE-CD1 4.33Å; M756-L760 HydrophobicContact CG-CD1 4.13Å; M756-L760 PolarHBondContact O-N 3.16Å; L760-V762 VanDerWaalsContact C-N 3.31Å; L760-V762 PolarHBondContact O-N 3.46Å; L760-V825 HydrophobicContact CB-CG1 4.29Å |
| 761 | S | 88.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -68.9 | -29.3 | 179.4 | 74.4 | 0 | 0 | 0 | 0 | 113.3 | S757 I758 G759 D763 Y764 I765 | S757-S761 WeakPolarHBondContact O-CB 3.5Å; S757-S761 PolarHBondContact O-N 3.23Å; S757-S761 PolarHBondContact O-OG 2.63Å; I758-S761 PolarHBondContact O-N 3.49Å; I758-S761 PolarHBondContact O-OG 3.25Å; G759-S761 PolarHBondContact O-N 3.49Å; G759-S761 VanDerWaalsContact O-N 3.16Å; S761-D763 VanDerWaalsContact C-N 3.26Å; S761-D763 PolarHBondContact O-N 3.42Å; S761-Y764 PolarHBondContact O-N 2.89Å; S761-I765 WeakPolarHBondContact O-CD1 3.5Å; S761-I765 PolarHBondContact O-N 3.02Å |
| 762 | V | 86.5 | Confident | 84 | Confident | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -65.1 | -33.9 | -177.3 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | T388 M707 V711 I728 I758 G759 L760 Y764 I765 A766 | T388-V762 HydrophobicContact CG2-CB 4.3Å; T388-V762 HydrophobicContact CG2-CG1 3.88Å; M707-V762 HydrophobicContact CB-CG2 3.97Å; M707-V762 HydrophobicContact CG-CG2 3.81Å; M707-V762 HydrophobicContact SD-CG2 4.18Å; V711-V762 HydrophobicContact CG2-CG1 3.92Å; I728-V762 HydrophobicContact CD1-CG2 3.86Å; I728-V762 HydrophobicContact CG1-CG2 4.33Å; I758-V762 WeakPolarHBondContact O-CG2 3.44Å; G759-V762 WeakPolarHBondContact O-CB 3.28Å; G759-V762 PolarHBondContact O-N 3.31Å; G759-V762 VanDerWaalsContact O-N 3.09Å; L760-V762 VanDerWaalsContact C-N 3.31Å; L760-V762 PolarHBondContact O-N 3.46Å; V762-Y764 VanDerWaalsContact C-N 3.34Å; V762-Y764 PolarHBondContact O-N 3Å; V762-I765 PolarHBondContact O-N 3.34Å; V762-A766 HydrophobicContact CG1-CB 3.82Å; V762-A766 WeakPolarHBondContact O-CB 3.46Å; V762-A766 PolarHBondContact O-N 3.33Å |
| 763 | D | 82.1 | Confident | 83.4 | Confident | 13 Ų | 13 | 12 Ų | 12 | 7% | 0.07 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -56.3 | -47.3 | -179.7 | -67.9 | -20.6 | 0 | 0 | 0 | 111.9 | T385 S761 H767 | T385-D763 WeakPolarHBondContact CA-OD1 3.45Å; T385-D763 VanDerWaalsContact CB-OD1 3.25Å; T385-D763 WeakPolarHBondContact CB-OD1 3.37Å; T385-D763 WeakPolarHBondContact CG2-OD1 3.24Å; T385-D763 WeakPolarHBondContact CG2-OD2 3.25Å; T385-D763 PolarHBondContact OG1-OD1 3.2Å; S761-D763 VanDerWaalsContact C-N 3.26Å; S761-D763 PolarHBondContact O-N 3.42Å; D763-H767 PolarHBondContact O-CD2 3.42Å |
| 764 | Y | 85.1 | Confident | 82.6 | Confident | 8 Ų | 8 | 15.6 Ų | 15.6 | 3% | 0.031 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -69.2 | -37.9 | -179 | -53.7 | -56.6 | 0 | 0 | 0 | 112.5 | S761 V762 A768 T793 G829 M830 | S761-Y764 PolarHBondContact O-N 2.89Å; V762-Y764 VanDerWaalsContact C-N 3.34Å; V762-Y764 PolarHBondContact O-N 3Å; Y764-A768 WeakPolarHBondContact O-CB 3.47Å; Y764-T793 HydrophobicContact CD1-CG2 3.77Å; Y764-T793 HydrophobicContact CG-CG2 4.5Å; Y764-G829 WeakPolarHBondContact CB-O 3.22Å; Y764-M830 HydrophobicContact CD1-CG 4.22Å; Y764-M830 HydrophobicContact CE1-CG 4.19Å |
| 765 | I | 88.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -85.6 | -44.3 | -172.1 | -59 | 160.3 | 0 | 0 | 0 | 111.6 | V724 A727 I728 I731 S761 V762 A768 T769 H832 M837 | V724-I765 HydrophobicContact CB-CG2 4.26Å; V724-I765 HydrophobicContact CG1-CG2 4.17Å; V724-I765 HydrophobicContact CG2-CG2 3.97Å; A727-I765 HydrophobicContact CB-CB 4.49Å; A727-I765 HydrophobicContact CB-CD1 3.4Å; A727-I765 VanDerWaalsContact CB-CD1 3.4Å; A727-I765 HydrophobicContact CB-CG1 4Å; A727-I765 HydrophobicContact CB-CG2 3.71Å; I728-I765 HydrophobicContact CG1-CD1 4.17Å; I731-I765 HydrophobicContact CD1-CD1 3.25Å; I731-I765 HydrophobicContact CD1-CG1 3.98Å; I731-I765 HydrophobicContact CG1-CD1 4.46Å; S761-I765 WeakPolarHBondContact O-CD1 3.5Å; S761-I765 PolarHBondContact O-N 3.02Å; V762-I765 PolarHBondContact O-N 3.34Å; I765-A768 PolarHBondContact O-N 3.45Å; I765-T769 VanDerWaalsContact O-CB 3.25Å; I765-T769 WeakPolarHBondContact O-CB 3.41Å; I765-T769 PolarHBondContact O-N 3.26Å; I765-T769 PolarHBondContact O-OG1 3.06Å; I765-H832 HydrophobicContact CG1-CB 4.43Å; I765-M837 HydrophobicContact CG2-CG 4.21Å |
| 766 | A | 82.6 | Confident | 80.4 | Confident | 9 Ų | 9 | 18.1 Ų | 18.1 | 7% | 0.074 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.7 | -44.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V762 T769 Y770 | V762-A766 HydrophobicContact CG1-CB 3.82Å; V762-A766 WeakPolarHBondContact O-CB 3.46Å; V762-A766 PolarHBondContact O-N 3.33Å; A766-T769 PolarHBondContact O-N 2.87Å; A766-Y770 WeakPolarHBondContact O-CB 3.48Å; A766-Y770 PolarHBondContact O-N 2.93Å |
| 767 | H | 77.2 | Confident | 79 | Confident | 41 Ų | 41 | 23.1 Ų | 23.1 | 19% | 0.19 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.2 | -46.4 | 176.1 | -73.9 | -46 | 0 | 0 | 0 | 112.2 | S381 D763 H771 | S381-H767 WeakPolarHBondContact CB-CE1 3.35Å; S381-H767 PolarHBondContact OG-CE1 3.19Å; D763-H767 PolarHBondContact O-CD2 3.42Å; H767-H771 PolarHBondContact O-CD2 3.11Å; H767-H771 PolarHBondContact O-N 3.39Å |
| 768 | A | 80.7 | Confident | 78 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.8 | -57.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y764 I765 Y770 H771 Y772 V789 G833 | Y764-A768 WeakPolarHBondContact O-CB 3.47Å; I765-A768 PolarHBondContact O-N 3.45Å; A768-Y770 VanDerWaalsContact C-N 3.29Å; A768-Y770 PolarHBondContact O-N 3.17Å; A768-H771 PolarHBondContact O-N 3Å; A768-Y772 HydrophobicContact CB-CD2 4.49Å; A768-Y772 HydrophobicContact CB-CE2 4.45Å; A768-Y772 WeakPolarHBondContact O-CD2 3.23Å; A768-Y772 PolarHBondContact O-N 3.14Å; A768-V789 HydrophobicContact CB-CG1 3.83Å; A768-G833 VanDerWaalsContact CB-O 3.25Å; A768-G833 WeakPolarHBondContact CB-O 3.33Å |
| 769 | T | 82.6 | Confident | 76.7 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.8 | -39.8 | -175.9 | -54.3 | 0 | 0 | 0 | 0 | 112 | M715 V724 I765 A766 Y772 S773 L841 | M715-T769 HydrophobicContact CE-CG2 3.87Å; V724-T769 HydrophobicContact CG2-CG2 3.98Å; I765-T769 VanDerWaalsContact O-CB 3.25Å; I765-T769 WeakPolarHBondContact O-CB 3.41Å; I765-T769 PolarHBondContact O-N 3.26Å; I765-T769 PolarHBondContact O-OG1 3.06Å; A766-T769 PolarHBondContact O-N 2.87Å; T769-Y772 PolarHBondContact O-N 3.1Å; T769-S773 VanDerWaalsContact O-CB 3.31Å; T769-S773 WeakPolarHBondContact O-CB 3.43Å; T769-S773 PolarHBondContact O-N 2.97Å; T769-S773 PolarHBondContact O-OG 3.49Å; T769-L841 HydrophobicContact CG2-CD1 3.86Å; T769-L841 HydrophobicContact CG2-CD2 4.41Å |
| 770 | Y | 79 | Confident | 75.5 | Confident | 67 Ų | 67 | 37.7 Ų | 37.7 | 26% | 0.263 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.2 | -54.6 | 176.7 | 175.7 | -97.2 | 0 | 0 | 0 | 111.8 | Q7 M715 A766 A768 Y772 S773 V774 | Q7-Y770 PolarHBondContact NE2-OH 3.1Å; M715-Y770 VanDerWaalsContact CE-CA 3.48Å; M715-Y770 HydrophobicContact CE-CD2 4.48Å; A766-Y770 WeakPolarHBondContact O-CB 3.48Å; A766-Y770 PolarHBondContact O-N 2.93Å; A768-Y770 VanDerWaalsContact C-N 3.29Å; A768-Y770 PolarHBondContact O-N 3.17Å; Y770-Y772 VanDerWaalsContact C-N 3.3Å; Y770-Y772 PolarHBondContact O-N 3Å; Y770-S773 PolarHBondContact O-N 3.13Å; Y770-S773 VanDerWaalsContact O-N 3.11Å; Y770-S773 PolarHBondContact O-OG 3.21Å; Y770-V774 HydrophobicContact CD2-CG2 4.33Å; Y770-V774 HydrophobicContact CE1-CG2 4.23Å; Y770-V774 HydrophobicContact CE2-CG2 3.96Å; Y770-V774 WeakPolarHBondContact O-CG2 3.06Å; Y770-V774 PolarHBondContact O-N 3.28Å |
| 771 | H | 75.9 | Confident | 74.9 | Confident | 53 Ų | 53 | 37.7 Ų | 37.7 | 25% | 0.245 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65 | -33.6 | -178.8 | -81.2 | -77.2 | 0 | 0 | 0 | 112.5 | H767 A768 N775 T785 V789 | H767-H771 PolarHBondContact O-CD2 3.11Å; H767-H771 PolarHBondContact O-N 3.39Å; A768-H771 PolarHBondContact O-N 3Å; H771-N775 VanDerWaalsContact O-CB 3.3Å; H771-N775 WeakPolarHBondContact O-CB 3.4Å; H771-N775 PolarHBondContact O-N 3.38Å; H771-N775 PolarHBondContact O-ND2 2.76Å; H771-T785 HydrophobicContact CB-CG2 3.96Å; H771-V789 HydrophobicContact CB-CG2 3.49Å; H771-V789 VanDerWaalsContact CB-CG2 3.49Å |
| 772 | Y | 75.8 | Confident | 74.2 | Confident | 8 Ų | 8 | 38.3 Ų | 38.3 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.9 | -45.6 | 170.6 | -80.6 | -69.8 | 0 | 0 | 0 | 112.2 | A768 T769 Y770 V774 Y776 T785 Y786 P838 | A768-Y772 HydrophobicContact CB-CD2 4.49Å; A768-Y772 HydrophobicContact CB-CE2 4.45Å; A768-Y772 WeakPolarHBondContact O-CD2 3.23Å; A768-Y772 PolarHBondContact O-N 3.14Å; T769-Y772 PolarHBondContact O-N 3.1Å; Y770-Y772 VanDerWaalsContact C-N 3.3Å; Y770-Y772 PolarHBondContact O-N 3Å; Y772-V774 VanDerWaalsContact C-N 3.32Å; Y772-V774 PolarHBondContact O-N 3.38Å; Y772-Y776 WeakPolarHBondContact O-CB 3.31Å; Y772-Y776 PolarHBondContact O-N 3.12Å; Y772-T785 HydrophobicContact CD1-CG2 3.64Å; Y772-T785 HydrophobicContact CD2-CG2 4.02Å; Y772-T785 HydrophobicContact CE1-CG2 3.57Å; Y772-T785 HydrophobicContact CE2-CG2 3.9Å; Y772-T785 HydrophobicContact CG-CG2 3.83Å; Y772-Y786 HydrophobicContact CE1-CE2 4.41Å; Y772-Y786 WeakPolarHBondContact OH-CD1 3.34Å; Y772-Y786 WeakPolarHBondContact OH-CD2 3.42Å; Y772-Y786 WeakPolarHBondContact OH-CE1 3.15Å; Y772-Y786 WeakPolarHBondContact OH-CE2 3.47Å; Y772-Y786 PolarHBondContact OH-OH 3.02Å; Y772-P838 HydrophobicContact CD2-CB 4.45Å; Y772-P838 HydrophobicContact CD2-CG 4.25Å; Y772-P838 HydrophobicContact CE1-CB 3.94Å; Y772-P838 HydrophobicContact CE1-CG 4.49Å; Y772-P838 HydrophobicContact CE2-CB 3.81Å; Y772-P838 HydrophobicContact CE2-CG 3.46Å; Y772-P838 VanDerWaalsContact CE2-CG 3.46Å |
| 773 | S | 72.9 | Confident | 73.6 | Confident | 27 Ų | 27 | 39.4 Ų | 39.4 | 19% | 0.189 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.3 | -32.8 | -176.4 | 72.3 | 0 | 0 | 0 | 0 | 113.5 | S720 T769 Y770 | S720-S773 WeakPolarHBondContact OG-CB 3.3Å; T769-S773 VanDerWaalsContact O-CB 3.31Å; T769-S773 WeakPolarHBondContact O-CB 3.43Å; T769-S773 PolarHBondContact O-N 2.97Å; T769-S773 PolarHBondContact O-OG 3.49Å; Y770-S773 PolarHBondContact O-N 3.13Å; Y770-S773 VanDerWaalsContact O-N 3.11Å; Y770-S773 PolarHBondContact O-OG 3.21Å |
| 774 | V | 71 | Confident | 73.1 | Confident | 77 Ų | 77 | 42.8 Ų | 42.8 | 47% | 0.467 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -81.4 | -38.3 | -178.8 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | Y770 Y772 | Y770-V774 HydrophobicContact CD2-CG2 4.33Å; Y770-V774 HydrophobicContact CE1-CG2 4.23Å; Y770-V774 HydrophobicContact CE2-CG2 3.96Å; Y770-V774 WeakPolarHBondContact O-CG2 3.06Å; Y770-V774 PolarHBondContact O-N 3.28Å; Y772-V774 VanDerWaalsContact C-N 3.32Å; Y772-V774 PolarHBondContact O-N 3.38Å |
| 775 | N | 68.1 | Low | 72.7 | Confident | 26 Ų | 26 | 42.4 Ų | 42.4 | 14% | 0.139 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -94.1 | -9.1 | -170.4 | -68 | -38.4 | 0 | 0 | 0 | 114.1 | H771 F777 S781 T785 | H771-N775 VanDerWaalsContact O-CB 3.3Å; H771-N775 WeakPolarHBondContact O-CB 3.4Å; H771-N775 PolarHBondContact O-N 3.38Å; H771-N775 PolarHBondContact O-ND2 2.76Å; N775-F777 VanDerWaalsContact O-CD2 3.27Å; N775-F777 WeakPolarHBondContact O-CD2 3.37Å; N775-F777 PolarHBondContact O-N 3.05Å; N775-S781 WeakPolarHBondContact CB-OG 3.25Å; N775-S781 WeakPolarHBondContact O-CB 3.24Å; N775-S781 PolarHBondContact O-OG 3.33Å; N775-T785 WeakPolarHBondContact CB-OG1 3.18Å |
| 776 | Y | 63.3 | Low | 72.4 | Confident | 35 Ų | 35 | 42.4 Ų | 42.4 | 14% | 0.137 | 24% | 0.236 | C | C | . | . | trans | -53.2 | 93.1 | -168.5 | -158.5 | -102.2 | 0 | 0 | 0 | 115.4 | Y772 S842 D847 | Y772-Y776 WeakPolarHBondContact O-CB 3.31Å; Y772-Y776 PolarHBondContact O-N 3.12Å; Y776-S842 WeakPolarHBondContact OH-CA 3.48Å; Y776-S842 PolarHBondContact OH-O 3.31Å; Y776-D847 WeakPolarHBondContact CE1-OD1 3.36Å | ||
| 777 | F | 56.5 | Low | 72.2 | Confident | 108 Ų | 108 | 45.6 Ų | 45.6 | 47% | 0.474 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -152.4 | 77.2 | 178.7 | -66.2 | -72.1 | 0 | 0 | 0 | 109.7 | N775 S781 K852 | N775-F777 VanDerWaalsContact O-CD2 3.27Å; N775-F777 WeakPolarHBondContact O-CD2 3.37Å; N775-F777 PolarHBondContact O-N 3.05Å; F777-S781 WeakPolarHBondContact O-CB 3.39Å; F777-K852 HydrophobicContact CE1-CD 4.46Å; F777-K852 HydrophobicContact CZ-CD 4.06Å |
| 778 | G | 63.6 | Low | 72.1 | Confident | 39 Ų | 39 | 48.4 Ų | 48.4 | 40% | 0.402 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | 70.6 | -178.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | L780 S781 N782 | G778-L780 VanDerWaalsContact C-N 3.34Å; G778-L780 PolarHBondContact O-N 3.22Å; G778-S781 WeakPolarHBondContact O-CB 3.34Å; G778-S781 PolarHBondContact O-N 3.05Å; G778-S781 VanDerWaalsContact O-N 3.1Å; G778-N782 PolarHBondContact O-N 3.48Å |
| 779 | P | 60.5 | Low | 72.1 | Confident | 114 Ų | 114 | 48.6 Ų | 48.6 | 74% | 0.74 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64 | -33 | -170.9 | 22 | -31.9 | 0 | 0 | 0 | 113.9 | S781 N782 A783 | P779-S781 VanDerWaalsContact C-N 3.29Å; P779-S781 PolarHBondContact O-N 3.11Å; P779-N782 PolarHBondContact O-N 3.37Å; P779-A783 PolarHBondContact O-N 2.91Å |
| 780 | L | 61.7 | Low | 72.1 | Confident | 152 Ų | 152 | 48.6 Ų | 48.6 | 80% | 0.796 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64 | -37.8 | 175.9 | -173.2 | 69.3 | 0 | 0 | 0 | 111.3 | G778 A783 L784 | G778-L780 VanDerWaalsContact C-N 3.34Å; G778-L780 PolarHBondContact O-N 3.22Å; L780-A783 PolarHBondContact O-N 3.19Å; L780-L784 PolarHBondContact O-N 2.95Å |
| 781 | S | 71.7 | Confident | 72.2 | Confident | 14 Ų | 14 | 46.5 Ų | 46.5 | 10% | 0.098 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.2 | -31.8 | 178.8 | -172.2 | 0 | 0 | 0 | 0 | 113.1 | N775 F777 G778 P779 A783 L784 T785 | N775-S781 WeakPolarHBondContact CB-OG 3.25Å; N775-S781 WeakPolarHBondContact O-CB 3.24Å; N775-S781 PolarHBondContact O-OG 3.33Å; F777-S781 WeakPolarHBondContact O-CB 3.39Å; G778-S781 WeakPolarHBondContact O-CB 3.34Å; G778-S781 PolarHBondContact O-N 3.05Å; G778-S781 VanDerWaalsContact O-N 3.1Å; P779-S781 VanDerWaalsContact C-N 3.29Å; P779-S781 PolarHBondContact O-N 3.11Å; S781-A783 VanDerWaalsContact C-N 3.35Å; S781-A783 PolarHBondContact O-N 3.36Å; S781-L784 PolarHBondContact O-N 3.26Å; S781-T785 WeakPolarHBondContact O-CB 3.3Å; S781-T785 PolarHBondContact O-N 2.9Å; S781-T785 PolarHBondContact O-OG1 2.93Å |
| 782 | N | 73.2 | Confident | 72.5 | Confident | 14 Ų | 14 | 46.5 Ų | 46.5 | 8% | 0.075 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 174.9 | -66.8 | -17.4 | 0 | 0 | 0 | 111.3 | C491 G778 P779 L784 T785 Y786 | C491-N782 PolarHBondContact SG-ND2 2.98Å; C491-N782 VanDerWaalsContact SG-ND2 3.4Å; G778-N782 PolarHBondContact O-N 3.48Å; P779-N782 PolarHBondContact O-N 3.37Å; N782-L784 VanDerWaalsContact C-N 3.34Å; N782-L784 PolarHBondContact O-N 3.34Å; N782-T785 WeakPolarHBondContact O-CB 3.46Å; N782-T785 PolarHBondContact O-N 3.34Å; N782-Y786 VanDerWaalsContact O-CD2 3.3Å; N782-Y786 WeakPolarHBondContact O-CD2 3.43Å; N782-Y786 PolarHBondContact O-N 3.45Å |
| 783 | A | 73.4 | Confident | 73 | Confident | 23 Ų | 23 | 46.5 Ų | 46.5 | 19% | 0.19 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T484 A487 P779 L780 S781 T785 Y786 R787 | T484-A783 HydrophobicContact CG2-CB 4.39Å; A487-A783 HydrophobicContact CB-CB 4.25Å; P779-A783 PolarHBondContact O-N 2.91Å; L780-A783 PolarHBondContact O-N 3.19Å; S781-A783 VanDerWaalsContact C-N 3.35Å; S781-A783 PolarHBondContact O-N 3.36Å; A783-T785 VanDerWaalsContact C-N 3.33Å; A783-T785 PolarHBondContact O-N 3.27Å; A783-Y786 PolarHBondContact O-N 3.47Å; A783-R787 PolarHBondContact O-N 3.31Å |
| 784 | L | 73 | Confident | 73.7 | Confident | 83 Ų | 83 | 47.3 Ų | 47.3 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 175.5 | -173.1 | 65 | 0 | 0 | 0 | 111.8 | L780 S781 N782 R787 H788 | L780-L784 PolarHBondContact O-N 2.95Å; S781-L784 PolarHBondContact O-N 3.26Å; N782-L784 VanDerWaalsContact C-N 3.34Å; N782-L784 PolarHBondContact O-N 3.34Å; L784-R787 WeakPolarHBondContact O-CB 3.32Å; L784-R787 PolarHBondContact O-N 3.41Å; L784-H788 PolarHBondContact O-CD2 2.96Å; L784-H788 PolarHBondContact O-N 3.32Å |
| 785 | T | 76.5 | Confident | 74.3 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.2 | -48.1 | 177.4 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | H771 Y772 N775 S781 N782 A783 R787 H788 V789 | H771-T785 HydrophobicContact CB-CG2 3.96Å; Y772-T785 HydrophobicContact CD1-CG2 3.64Å; Y772-T785 HydrophobicContact CD2-CG2 4.02Å; Y772-T785 HydrophobicContact CE1-CG2 3.57Å; Y772-T785 HydrophobicContact CE2-CG2 3.9Å; Y772-T785 HydrophobicContact CG-CG2 3.83Å; N775-T785 WeakPolarHBondContact CB-OG1 3.18Å; S781-T785 WeakPolarHBondContact O-CB 3.3Å; S781-T785 PolarHBondContact O-N 2.9Å; S781-T785 PolarHBondContact O-OG1 2.93Å; N782-T785 WeakPolarHBondContact O-CB 3.46Å; N782-T785 PolarHBondContact O-N 3.34Å; A783-T785 VanDerWaalsContact C-N 3.33Å; A783-T785 PolarHBondContact O-N 3.27Å; T785-R787 PolarHBondContact O-N 3.47Å; T785-H788 PolarHBondContact O-N 3.05Å; T785-H788 VanDerWaalsContact O-N 3.1Å; T785-V789 PolarHBondContact O-N 2.84Å |
| 786 | Y | 81.7 | Confident | 75.1 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 0% | 0.004 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64 | -28.2 | 175 | -84 | -72 | 0 | 0 | 0 | 113.1 | L486 A487 V490 Y772 N782 A783 H788 G790 L834 P838 | L486-Y786 HydrophobicContact CB-CD1 4.46Å; L486-Y786 HydrophobicContact CB-CE1 4.47Å; L486-Y786 HydrophobicContact CD2-CD1 3.6Å; L486-Y786 HydrophobicContact CD2-CE1 3.4Å; L486-Y786 VanDerWaalsContact CD2-CE1 3.4Å; L486-Y786 HydrophobicContact CG-CD1 4.04Å; L486-Y786 HydrophobicContact CG-CE1 3.65Å; A487-Y786 HydrophobicContact CB-CD2 3.54Å; A487-Y786 HydrophobicContact CB-CE2 4Å; A487-Y786 HydrophobicContact CB-CG 4.41Å; V490-Y786 WeakPolarHBondContact CB-OH 3.38Å; V490-Y786 VanDerWaalsContact CG1-OH 3.25Å; V490-Y786 WeakPolarHBondContact CG1-OH 3.12Å; Y772-Y786 HydrophobicContact CE1-CE2 4.41Å; Y772-Y786 WeakPolarHBondContact OH-CD1 3.34Å; Y772-Y786 WeakPolarHBondContact OH-CD2 3.42Å; Y772-Y786 WeakPolarHBondContact OH-CE1 3.15Å; Y772-Y786 WeakPolarHBondContact OH-CE2 3.47Å; Y772-Y786 PolarHBondContact OH-OH 3.02Å; N782-Y786 VanDerWaalsContact O-CD2 3.3Å; N782-Y786 WeakPolarHBondContact O-CD2 3.43Å; N782-Y786 PolarHBondContact O-N 3.45Å; A783-Y786 PolarHBondContact O-N 3.47Å; Y786-H788 PolarHBondContact O-N 3.16Å; Y786-G790 VanDerWaalsContact O-CA 3.32Å; Y786-G790 WeakPolarHBondContact O-CA 3.41Å; Y786-G790 PolarHBondContact O-N 3.46Å; Y786-L834 PolarHBondContact OH-O 3.46Å; Y786-L834 VanDerWaalsContact OH-O 3.05Å; Y786-P838 HydrophobicContact CE1-CG 4.44Å; Y786-P838 VanDerWaalsContact OH-CB 3.24Å; Y786-P838 WeakPolarHBondContact OH-CB 3.5Å; Y786-P838 WeakPolarHBondContact OH-CG 3.22Å |
| 787 | R | 78.2 | Confident | 76.3 | Confident | 76 Ų | 76 | 44 Ų | 44 | 29% | 0.287 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.1 | -30.8 | 174.4 | -171 | 178.7 | 178.3 | 114 | 5.8 | 112.2 | D476 N479 E480 A783 L784 T785 | D476-R787 IonicContact OD1-NH2 3.71Å; N479-R787 PolarHBondContact ND2-O 3.1Å; E480-R787 IonicContact OE2-NH1 3.47Å; E480-R787 PolarHBondContact OE2-NH1 2.79Å; A783-R787 PolarHBondContact O-N 3.31Å; L784-R787 WeakPolarHBondContact O-CB 3.32Å; L784-R787 PolarHBondContact O-N 3.41Å; T785-R787 PolarHBondContact O-N 3.47Å |
| 788 | H | 75.2 | Confident | 77.9 | Confident | 99 Ų | 99 | 43.4 Ų | 43.4 | 46% | 0.458 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -87.6 | -32.6 | 177.8 | -67.8 | -63 | 0 | 0 | 0 | 113.6 | L784 T785 Y786 P792 | L784-H788 PolarHBondContact O-CD2 2.96Å; L784-H788 PolarHBondContact O-N 3.32Å; T785-H788 PolarHBondContact O-N 3.05Å; T785-H788 VanDerWaalsContact O-N 3.1Å; Y786-H788 PolarHBondContact O-N 3.16Å; H788-P792 WeakPolarHBondContact O-CG 3.38Å |
| 789 | V | 80.4 | Confident | 79.1 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -101.4 | -38.5 | -173.6 | 176.9 | 0 | 0 | 0 | 0 | 112.7 | A768 H771 T785 T793 | A768-V789 HydrophobicContact CB-CG1 3.83Å; H771-V789 HydrophobicContact CB-CG2 3.49Å; H771-V789 VanDerWaalsContact CB-CG2 3.49Å; T785-V789 PolarHBondContact O-N 2.84Å; V789-T793 WeakPolarHBondContact CG1-OG1 3.19Å; V789-T793 VanDerWaalsContact O-CB 3.28Å; V789-T793 WeakPolarHBondContact O-CB 3.16Å; V789-T793 PolarHBondContact O-N 2.83Å; V789-T793 PolarHBondContact O-OG1 3.24Å |
| 790 | G | 82.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.3 | -69.1 | -163.5 | 0 | 0 | 0 | 0 | 0 | 114 | Y786 T793 V794 | Y786-G790 VanDerWaalsContact O-CA 3.32Å; Y786-G790 WeakPolarHBondContact O-CA 3.41Å; Y786-G790 PolarHBondContact O-N 3.46Å; G790-T793 PolarHBondContact O-N 3.06Å; G790-V794 WeakPolarHBondContact O-CG2 3.12Å; G790-V794 PolarHBondContact O-N 3.28Å; G790-V794 VanDerWaalsContact O-N 3.14Å |
| 791 | I | 82.3 | Confident | 81.8 | Confident | 24 Ų | 24 | 31.7 Ų | 31.7 | 12% | 0.123 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.4 | -43.7 | -179.6 | -71.7 | -163.5 | 0 | 0 | 0 | 112.8 | F475 N479 F482 T793 V794 Q795 | F475-I791 HydrophobicContact CE1-CG2 4.34Å; F475-I791 HydrophobicContact CE2-CG2 4.08Å; F475-I791 HydrophobicContact CZ-CD1 4.42Å; F475-I791 HydrophobicContact CZ-CG2 3.51Å; N479-I791 HydrophobicContact CB-CD1 3.54Å; N479-I791 HydrophobicContact CB-CG1 4.3Å; N479-I791 WeakPolarHBondContact OD1-CG1 3.4Å; F482-I791 HydrophobicContact CD1-CG1 3.82Å; F482-I791 HydrophobicContact CE1-CG1 4.37Å; F482-I791 HydrophobicContact CG-CG1 4.44Å; I791-T793 VanDerWaalsContact C-N 3.3Å; I791-T793 PolarHBondContact O-N 2.84Å; I791-V794 PolarHBondContact O-N 2.76Å; I791-Q795 WeakPolarHBondContact O-CB 3.44Å; I791-Q795 PolarHBondContact O-N 3.35Å |
| 792 | P | 81.3 | Confident | 82.7 | Confident | 52 Ų | 52 | 31.6 Ų | 31.6 | 34% | 0.338 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -56.4 | -42.3 | 176.7 | -30.7 | 39.3 | 0 | 0 | 0 | 113.4 | H788 Q795 S796 | H788-P792 WeakPolarHBondContact O-CG 3.38Å; P792-Q795 PolarHBondContact O-N 3.47Å; P792-S796 WeakPolarHBondContact O-CB 3.45Å; P792-S796 PolarHBondContact O-N 3.19Å |
| 793 | T | 85.2 | Confident | 83.4 | Confident | 9 Ų | 9 | 31 Ų | 31 | 6% | 0.055 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.6 | -43.9 | 177.4 | -54.9 | 0 | 0 | 0 | 0 | 111.5 | Y764 V789 G790 I791 S796 G797 M830 L834 | Y764-T793 HydrophobicContact CD1-CG2 3.77Å; Y764-T793 HydrophobicContact CG-CG2 4.5Å; V789-T793 WeakPolarHBondContact CG1-OG1 3.19Å; V789-T793 VanDerWaalsContact O-CB 3.28Å; V789-T793 WeakPolarHBondContact O-CB 3.16Å; V789-T793 PolarHBondContact O-N 2.83Å; V789-T793 PolarHBondContact O-OG1 3.24Å; G790-T793 PolarHBondContact O-N 3.06Å; I791-T793 VanDerWaalsContact C-N 3.3Å; I791-T793 PolarHBondContact O-N 2.84Å; T793-S796 PolarHBondContact O-N 3.44Å; T793-G797 PolarHBondContact O-N 3.06Å; T793-M830 HydrophobicContact CG2-CG 4.44Å; T793-L834 HydrophobicContact CG2-CD1 4.24Å; T793-L834 HydrophobicContact CG2-CD2 4.06Å; T793-L834 HydrophobicContact CG2-CG 4Å |
| 794 | V | 88.3 | Confident | 84.1 | Confident | 44 Ų | 44 | 30.1 Ų | 30.1 | 27% | 0.267 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -65.3 | -41.4 | 177 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | F482 G790 I791 G797 L798 L834 | F482-V794 HydrophobicContact CE1-CG2 4.42Å; F482-V794 HydrophobicContact CZ-CG2 4.06Å; G790-V794 WeakPolarHBondContact O-CG2 3.12Å; G790-V794 PolarHBondContact O-N 3.28Å; G790-V794 VanDerWaalsContact O-N 3.14Å; I791-V794 PolarHBondContact O-N 2.76Å; V794-G797 PolarHBondContact O-N 3.08Å; V794-L798 HydrophobicContact CG1-CD1 3.88Å; V794-L798 HydrophobicContact CG1-CG 4.26Å; V794-L798 WeakPolarHBondContact O-CB 3.18Å; V794-L798 VanDerWaalsContact O-CG 3.3Å; V794-L798 WeakPolarHBondContact O-CG 3.45Å; V794-L798 PolarHBondContact O-N 3.39Å; V794-L834 HydrophobicContact CG2-CD1 3.63Å |
| 795 | Q | 84.7 | Confident | 84.8 | Confident | 55 Ų | 55 | 28 Ų | 28 | 26% | 0.257 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.3 | -46 | 178.2 | 179.6 | 175 | -14.6 | 0 | 0 | 111.5 | F352 I791 P792 L798 L799 | F352-Q795 HydrophobicContact CD2-CG 4.29Å; F352-Q795 HydrophobicContact CE2-CG 4.47Å; I791-Q795 WeakPolarHBondContact O-CB 3.44Å; I791-Q795 PolarHBondContact O-N 3.35Å; P792-Q795 PolarHBondContact O-N 3.47Å; Q795-L798 PolarHBondContact O-N 2.79Å; Q795-L799 VanDerWaalsContact O-CB 3.27Å; Q795-L799 WeakPolarHBondContact O-CB 3.44Å; Q795-L799 PolarHBondContact O-N 2.8Å |
| 796 | S | 84.6 | Confident | 85.3 | Confident | 12 Ų | 12 | 28.3 Ų | 28.3 | 8% | 0.084 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.3 | -47.6 | 175 | 178 | 0 | 0 | 0 | 0 | 111.3 | D349 P792 T793 L799 A800 | D349-S796 WeakPolarHBondContact OD1-CA 3.11Å; D349-S796 WeakPolarHBondContact OD1-CB 3.17Å; D349-S796 PolarHBondContact OD1-OG 3.27Å; D349-S796 PolarHBondContact OD2-OG 3.35Å; P792-S796 WeakPolarHBondContact O-CB 3.45Å; P792-S796 PolarHBondContact O-N 3.19Å; T793-S796 PolarHBondContact O-N 3.44Å; S796-L799 WeakPolarHBondContact O-CB 3.45Å; S796-L799 PolarHBondContact O-N 2.61Å; S796-A800 PolarHBondContact O-N 3.3Å |
| 797 | G | 88.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.1 | -44.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | T793 V794 L799 A800 I801 V826 | T793-G797 PolarHBondContact O-N 3.06Å; V794-G797 PolarHBondContact O-N 3.08Å; G797-L799 VanDerWaalsContact C-N 3.26Å; G797-L799 PolarHBondContact O-N 2.81Å; G797-A800 PolarHBondContact O-N 2.79Å; G797-I801 WeakPolarHBondContact O-CG1 3.26Å; G797-I801 PolarHBondContact O-N 2.94Å; G797-V826 WeakPolarHBondContact O-CG1 3.33Å |
| 798 | L | 89.4 | Confident | 86.1 | Confident | 96 Ų | 96 | 29.2 Ų | 29.2 | 50% | 0.503 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.5 | -36 | 176.8 | -73.4 | 175.7 | 0 | 0 | 0 | 112.3 | V794 Q795 A802 | V794-L798 HydrophobicContact CG1-CD1 3.88Å; V794-L798 HydrophobicContact CG1-CG 4.26Å; V794-L798 WeakPolarHBondContact O-CB 3.18Å; V794-L798 VanDerWaalsContact O-CG 3.3Å; V794-L798 WeakPolarHBondContact O-CG 3.45Å; V794-L798 PolarHBondContact O-N 3.39Å; Q795-L798 PolarHBondContact O-N 2.79Å; L798-A802 VanDerWaalsContact O-CB 3.27Å; L798-A802 WeakPolarHBondContact O-CB 3.3Å; L798-A802 PolarHBondContact O-N 3.18Å |
| 799 | L | 89.1 | Confident | 86.6 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.8 | -44.1 | 175.7 | 177.3 | 71.3 | 0 | 0 | 0 | 112 | L286 M289 S345 V348 D349 F352 Q795 S796 G797 I801 A802 G803 | L286-L799 HydrophobicContact CD2-CD1 3.69Å; M289-L799 HydrophobicContact CE-CB 4.29Å; M289-L799 HydrophobicContact CE-CD1 4.21Å; M289-L799 HydrophobicContact SD-CD1 4.37Å; S345-L799 WeakPolarHBondContact O-CD2 3.28Å; V348-L799 HydrophobicContact CB-CD1 4.05Å; V348-L799 HydrophobicContact CB-CD2 3.7Å; V348-L799 HydrophobicContact CB-CG 4.35Å; V348-L799 HydrophobicContact CG1-CD1 3.51Å; V348-L799 HydrophobicContact CG1-CD2 3.44Å; V348-L799 VanDerWaalsContact CG1-CD2 3.44Å; V348-L799 HydrophobicContact CG1-CG 4.06Å; D349-L799 HydrophobicContact CB-CD2 3.99Å; F352-L799 HydrophobicContact CD2-CD2 4.27Å; F352-L799 HydrophobicContact CE2-CD2 4.19Å; Q795-L799 VanDerWaalsContact O-CB 3.27Å; Q795-L799 WeakPolarHBondContact O-CB 3.44Å; Q795-L799 PolarHBondContact O-N 2.8Å; S796-L799 WeakPolarHBondContact O-CB 3.45Å; S796-L799 PolarHBondContact O-N 2.61Å; G797-L799 VanDerWaalsContact C-N 3.26Å; G797-L799 PolarHBondContact O-N 2.81Å; L799-I801 VanDerWaalsContact C-N 3.34Å; L799-I801 PolarHBondContact O-N 3.06Å; L799-A802 PolarHBondContact O-N 3.36Å; L799-G803 PolarHBondContact O-N 3.39Å |
| 800 | A | 88.3 | Confident | 86.9 | Confident | 21 Ų | 21 | 32.8 Ų | 32.8 | 17% | 0.174 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.3 | -43.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S796 G797 G803 V804 V826 | S796-A800 PolarHBondContact O-N 3.3Å; G797-A800 PolarHBondContact O-N 2.79Å; A800-G803 PolarHBondContact O-N 3.18Å; A800-V804 PolarHBondContact O-N 3.48Å; A800-V826 HydrophobicContact CB-CG2 3.71Å |
| 801 | I | 91.3 | Very high | 87 | Confident | 37 Ų | 37 | 37 Ų | 37 | 19% | 0.19 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64 | -43.7 | 174.7 | -68.2 | 167.3 | 0 | 0 | 0 | 110.9 | G797 L799 G803 V804 S805 F823 V826 V827 | G797-I801 WeakPolarHBondContact O-CG1 3.26Å; G797-I801 PolarHBondContact O-N 2.94Å; L799-I801 VanDerWaalsContact C-N 3.34Å; L799-I801 PolarHBondContact O-N 3.06Å; I801-G803 VanDerWaalsContact C-N 3.26Å; I801-G803 PolarHBondContact O-N 3.44Å; I801-V804 WeakPolarHBondContact O-CG2 3.4Å; I801-V804 PolarHBondContact O-N 3.15Å; I801-S805 WeakPolarHBondContact O-CB 3.22Å; I801-S805 PolarHBondContact O-N 3.4Å; I801-F823 HydrophobicContact CD1-CD2 4.23Å; I801-F823 HydrophobicContact CD1-CE2 4.3Å; I801-F823 HydrophobicContact CG1-CD2 4.23Å; I801-F823 HydrophobicContact CG2-CD2 4.3Å; I801-V826 HydrophobicContact CD1-CB 4.38Å; I801-V826 HydrophobicContact CD1-CG1 3.78Å; I801-V826 HydrophobicContact CG1-CB 4.13Å; I801-V826 HydrophobicContact CG1-CG1 3.8Å; I801-V827 HydrophobicContact CD1-CG2 4.34Å |
| 802 | A | 90.2 | Very high | 87.2 | Confident | 13 Ų | 13 | 35.9 Ų | 35.9 | 11% | 0.107 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.6 | -38.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I285 M289 L798 L799 V804 S805 | I285-A802 HydrophobicContact CG2-CB 3.87Å; M289-A802 HydrophobicContact CE-CB 4.12Å; M289-A802 HydrophobicContact SD-CB 3.34Å; M289-A802 WeakPolarHBondContact SD-CB 3.4Å; L798-A802 VanDerWaalsContact O-CB 3.27Å; L798-A802 WeakPolarHBondContact O-CB 3.3Å; L798-A802 PolarHBondContact O-N 3.18Å; L799-A802 PolarHBondContact O-N 3.36Å; A802-V804 VanDerWaalsContact C-N 3.29Å; A802-V804 PolarHBondContact O-N 2.86Å; A802-S805 PolarHBondContact O-N 2.9Å; A802-S805 PolarHBondContact O-OG 3.34Å |
| 803 | G | 86.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.5 | -35 | 175 | 0 | 0 | 0 | 0 | 0 | 115.2 | L282 S345 L799 A800 I801 | L282-G803 WeakPolarHBondContact CD1-O 3.48Å; S345-G803 WeakPolarHBondContact OG-CA 3.36Å; L799-G803 PolarHBondContact O-N 3.39Å; A800-G803 PolarHBondContact O-N 3.18Å; I801-G803 VanDerWaalsContact C-N 3.26Å; I801-G803 PolarHBondContact O-N 3.44Å |
| 804 | V | 88.2 | Confident | 87.2 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 3% | 0.03 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -101.2 | -9 | 178.4 | -61.2 | 0 | 0 | 0 | 0 | 113.4 | A800 I801 A802 A806 L807 F818 V819 V822 | A800-V804 PolarHBondContact O-N 3.48Å; I801-V804 WeakPolarHBondContact O-CG2 3.4Å; I801-V804 PolarHBondContact O-N 3.15Å; A802-V804 VanDerWaalsContact C-N 3.29Å; A802-V804 PolarHBondContact O-N 2.86Å; V804-A806 VanDerWaalsContact C-N 3.29Å; V804-A806 PolarHBondContact O-N 3.18Å; V804-L807 WeakPolarHBondContact O-CB 3.25Å; V804-L807 PolarHBondContact O-N 2.81Å; V804-F818 HydrophobicContact CG1-CE1 3.99Å; V804-V819 HydrophobicContact CB-CG2 4.36Å; V804-V819 HydrophobicContact CG2-CG1 4.39Å; V804-V822 HydrophobicContact CG1-CB 4.17Å; V804-V822 HydrophobicContact CG1-CG1 3.84Å; V804-V822 HydrophobicContact CG1-CG2 4.25Å; V804-V822 HydrophobicContact CG2-CB 4.26Å; V804-V822 HydrophobicContact CG2-CG1 3.88Å |
| 805 | S | 89 | Confident | 87.2 | Confident | 40 Ų | 40 | 32.5 Ų | 32.5 | 28% | 0.28 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.9 | -35.2 | -175.2 | 68 | 0 | 0 | 0 | 0 | 113.7 | I801 A802 L807 V808 | I801-S805 WeakPolarHBondContact O-CB 3.22Å; I801-S805 PolarHBondContact O-N 3.4Å; A802-S805 PolarHBondContact O-N 2.9Å; A802-S805 PolarHBondContact O-OG 3.34Å; S805-L807 PolarHBondContact O-N 3.15Å; S805-V808 WeakPolarHBondContact O-CG2 3.24Å; S805-V808 PolarHBondContact O-N 2.97Å |
| 806 | A | 85.7 | Confident | 87.4 | Confident | 5 Ų | 5 | 32 Ų | 32 | 4% | 0.041 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -62.1 | -28 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y278 V804 V808 | Y278-A806 WeakPolarHBondContact CD1-O 3.24Å; Y278-A806 WeakPolarHBondContact CE1-O 3.41Å; V804-A806 VanDerWaalsContact C-N 3.29Å; V804-A806 PolarHBondContact O-N 3.18Å; A806-V808 VanDerWaalsContact C-N 3.35Å |
| 807 | L | 88 | Confident | 87.6 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -79.6 | -14.6 | -175.5 | -61.2 | -178.2 | 0 | 0 | 0 | 113.6 | L275 F341 V804 S805 F809 L810 V815 F818 V819 | L275-L807 HydrophobicContact CD2-CD2 3.4Å; F341-L807 HydrophobicContact CB-CD1 4.21Å; F341-L807 HydrophobicContact CD1-CD1 3.9Å; F341-L807 HydrophobicContact CD1-CD2 3.84Å; F341-L807 HydrophobicContact CD1-CG 3.82Å; F341-L807 HydrophobicContact CD2-CD1 4.31Å; F341-L807 HydrophobicContact CD2-CD2 4.42Å; F341-L807 HydrophobicContact CE1-CD1 4.41Å; F341-L807 HydrophobicContact CE1-CD2 3.48Å; F341-L807 VanDerWaalsContact CE1-CD2 3.48Å; F341-L807 HydrophobicContact CE1-CG 3.96Å; F341-L807 HydrophobicContact CE2-CD2 4.09Å; F341-L807 HydrophobicContact CG-CD1 3.88Å; F341-L807 HydrophobicContact CG-CD2 4.33Å; F341-L807 HydrophobicContact CG-CG 4.3Å; F341-L807 HydrophobicContact CZ-CD2 3.62Å; V804-L807 WeakPolarHBondContact O-CB 3.25Å; V804-L807 PolarHBondContact O-N 2.81Å; S805-L807 PolarHBondContact O-N 3.15Å; L807-F809 PolarHBondContact O-N 3.31Å; L807-F809 VanDerWaalsContact O-N 3.16Å; L807-L810 WeakPolarHBondContact O-CB 3.49Å; L807-L810 PolarHBondContact O-N 2.85Å; L807-L810 VanDerWaalsContact O-N 3.07Å; L807-V815 HydrophobicContact CB-CG1 3.7Å; L807-V815 HydrophobicContact CD1-CG1 4.37Å; L807-V815 HydrophobicContact CD2-CG1 4.48Å; L807-V815 HydrophobicContact CG-CG1 4.42Å; L807-F818 HydrophobicContact CD1-CD1 4.49Å; L807-V819 HydrophobicContact CB-CG2 3.5Å; L807-V819 HydrophobicContact CD1-CG2 4.26Å |
| 808 | V | 89 | Confident | 87.6 | Confident | 96 Ų | 96 | 31.7 Ų | 31.7 | 58% | 0.582 | 17% | 0.168 | S | C | * | . | G | 310 helix | trans | -58.4 | -30 | 179.6 | 175.4 | 0 | 0 | 0 | 0 | 112 | S805 A806 L810 V819 | S805-V808 WeakPolarHBondContact O-CG2 3.24Å; S805-V808 PolarHBondContact O-N 2.97Å; A806-V808 VanDerWaalsContact C-N 3.35Å; V808-L810 VanDerWaalsContact C-N 3.3Å; V808-L810 PolarHBondContact O-N 3.35Å; V808-V819 HydrophobicContact CG2-CG1 3.74Å |
| 809 | F | 86.1 | Confident | 87.7 | Confident | 156 Ų | 156 | 27.9 Ų | 27.9 | 68% | 0.684 | 15% | 0.149 | S | C | * | . | G | 310 helix | trans | -81.1 | -8.9 | -177.9 | -59.1 | -69.3 | 0 | 0 | 0 | 113.9 | Y278 L807 | Y278-F809 HydrophobicContact CE1-CB 3.98Å; Y278-F809 PolarHBondContact OH-O 3.25Å; L807-F809 PolarHBondContact O-N 3.31Å; L807-F809 VanDerWaalsContact O-N 3.16Å |
| 810 | L | 86.3 | Confident | 87.8 | Confident | 21 Ų | 21 | 30 Ų | 30 | 11% | 0.11 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -83.6 | 120.8 | -178.5 | -176.8 | 54 | 0 | 0 | 0 | 110.2 | A274 L275 Y278 L807 V808 S812 V815 | A274-L810 HydrophobicContact CB-CD1 3.65Å; L275-L810 HydrophobicContact CD2-CD2 3.38Å; L275-L810 HydrophobicContact CG-CD2 3.92Å; Y278-L810 HydrophobicContact CE2-CB 4.23Å; Y278-L810 HydrophobicContact CE2-CD1 4.14Å; L807-L810 WeakPolarHBondContact O-CB 3.49Å; L807-L810 PolarHBondContact O-N 2.85Å; L807-L810 VanDerWaalsContact O-N 3.07Å; V808-L810 VanDerWaalsContact C-N 3.3Å; V808-L810 PolarHBondContact O-N 3.35Å; L810-S812 PolarHBondContact O-N 2.93Å; L810-V815 HydrophobicContact CB-CG1 4.26Å; L810-V815 HydrophobicContact CD2-CB 4.37Å; L810-V815 HydrophobicContact CD2-CG1 4.22Å; L810-V815 HydrophobicContact CD2-CG2 3.67Å; L810-V815 HydrophobicContact CG-CG2 4.27Å |
| 811 | E | 85.8 | Confident | 88 | Confident | 89 Ų | 89 | 29 Ų | 29 | 42% | 0.416 | 15% | 0.149 | S | C | . | . | trans | -76.8 | 62.1 | -178 | -64.9 | -170.6 | 171.4 | 0 | 0 | 112.9 | R529 R530 | R529-E811 HydrophobicContact CB-CB 4.49Å; R529-E811 PolarHBondContact N-O 3.09Å; R530-E811 WeakPolarHBondContact CD-OE2 3.48Å; R530-E811 IonicContact CZ-OE1 2.72Å; R530-E811 IonicContact CZ-OE2 3.55Å; R530-E811 IonicContact NE-OE1 2.96Å; R530-E811 IonicContact NE-OE2 3.9Å; R530-E811 PolarHBondContact NE-OE2 2.96Å; R530-E811 IonicContact NH2-OE1 3.37Å; R530-E811 PolarHBondContact NH2-OE1 3.32Å; R530-E811 IonicContact NH2-OE2 3.16Å; R530-E811 PolarHBondContact NH2-OE2 3.37Å | ||
| 812 | S | 84.9 | Confident | 87.9 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -134.4 | 133.6 | 178.8 | 179 | 0 | 0 | 0 | 0 | 111.6 | N271 L810 V815 E816 | N271-S812 PolarHBondContact ND2-OG 3.06Å; N271-S812 WeakPolarHBondContact OD1-CB 3.45Å; N271-S812 PolarHBondContact OD1-OG 3.48Å; N271-S812 VanDerWaalsContact OD1-OG 3.07Å; L810-S812 PolarHBondContact O-N 2.93Å; S812-V815 PolarHBondContact O-N 3.02Å; S812-E816 VanDerWaalsContact O-CB 3.25Å; S812-E816 WeakPolarHBondContact O-CB 3.39Å; S812-E816 PolarHBondContact O-N 3.38Å |
| 813 | H | 84.5 | Confident | 88 | Confident | 26 Ų | 26 | 31.2 Ų | 31.2 | 12% | 0.12 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.5 | -36 | -179.7 | -171.5 | 77.7 | 0 | 0 | 0 | 112.5 | H525 E816 T817 | H525-H813 HydrophobicContact CB-CB 4.21Å; H525-H813 VanDerWaalsContact CB-CD2 3.46Å; H525-H813 WeakPolarHBondContact CB-CD2 3.48Å; H525-H813 AromaticContact CE1-NE2 3.72Å; H525-H813 AromaticContact CG-CD2 3.48Å; H525-H813 VanDerWaalsContact CG-CD2 3.48Å; H525-H813 AromaticContact CG-CG 3.94Å; H525-H813 AromaticContact CG-NE2 3.79Å; H525-H813 AromaticContact ND1-CD2 3.37Å; H525-H813 PolarHBondContact ND1-CD2 3.48Å; H525-H813 AromaticContact ND1-CE1 3.88Å; H525-H813 AromaticContact ND1-NE2 3.18Å; H525-H813 PolarHBondContact ND1-NE2 2.86Å; H525-H813 VanDerWaalsContact ND1-NE2 3.18Å; H813-E816 IonicContact ND1-OE2 4Å; H813-E816 PolarHBondContact O-N 3.29Å; H813-T817 WeakPolarHBondContact O-CB 3.19Å; H813-T817 PolarHBondContact O-N 3.18Å; H813-T817 PolarHBondContact O-OG1 3.47Å |
| 814 | M | 83.7 | Confident | 88.4 | Confident | 7 Ų | 7 | 31.6 Ų | 31.6 | 3% | 0.034 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.2 | -50.4 | 174.5 | -179.3 | -168.8 | -70.1 | 0 | 0 | 110.8 | M335 M338 L526 I749 T817 F818 | M335-M814 HydrophobicContact CG-CE 4.06Å; M335-M814 HydrophobicContact CG-SD 3.79Å; M335-M814 HydrophobicContact SD-CE 4.42Å; M338-M814 HydrophobicContact CE-CB 4.37Å; M338-M814 HydrophobicContact CE-CG 3.58Å; M338-M814 HydrophobicContact CE-SD 3.49Å; M338-M814 WeakPolarHBondContact CE-SD 3.07Å; L526-M814 HydrophobicContact CD2-CE 4.3Å; I749-M814 HydrophobicContact CD1-CB 4Å; I749-M814 HydrophobicContact CD1-CE 3.95Å; I749-M814 HydrophobicContact CD1-CG 3.7Å; I749-M814 HydrophobicContact CG1-CG 4.22Å; I749-M814 HydrophobicContact CG2-CG 4.06Å; M814-T817 PolarHBondContact O-N 3.47Å; M814-F818 PolarHBondContact O-N 3.26Å; M814-F818 VanDerWaalsContact O-N 3.1Å |
| 815 | V | 87.4 | Confident | 88.7 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.1 | -43.3 | 179.6 | 179.4 | 0 | 0 | 0 | 0 | 111 | L275 M338 L807 L810 S812 T817 F818 V819 | L275-V815 HydrophobicContact CD2-CG2 4.3Å; M338-V815 HydrophobicContact CE-CB 4.33Å; M338-V815 HydrophobicContact CE-CG2 3.42Å; M338-V815 VanDerWaalsContact CE-CG2 3.42Å; L807-V815 HydrophobicContact CB-CG1 3.7Å; L807-V815 HydrophobicContact CD1-CG1 4.37Å; L807-V815 HydrophobicContact CD2-CG1 4.48Å; L807-V815 HydrophobicContact CG-CG1 4.42Å; L810-V815 HydrophobicContact CB-CG1 4.26Å; L810-V815 HydrophobicContact CD2-CB 4.37Å; L810-V815 HydrophobicContact CD2-CG1 4.22Å; L810-V815 HydrophobicContact CD2-CG2 3.67Å; L810-V815 HydrophobicContact CG-CG2 4.27Å; S812-V815 PolarHBondContact O-N 3.02Å; V815-T817 VanDerWaalsContact C-N 3.33Å; V815-T817 PolarHBondContact O-N 2.99Å; V815-F818 WeakPolarHBondContact O-CB 3.39Å; V815-F818 PolarHBondContact O-N 3.41Å; V815-V819 HydrophobicContact CG1-CG2 4.26Å; V815-V819 VanDerWaalsContact O-CG2 3.3Å; V815-V819 WeakPolarHBondContact O-CG2 3.38Å; V815-V819 PolarHBondContact O-N 3.49Å |
| 816 | E | 88.9 | Confident | 88.8 | Confident | 46 Ų | 46 | 29.4 Ų | 29.4 | 22% | 0.215 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.8 | -44.3 | 177.4 | -179.7 | -173.8 | -172.1 | 0 | 0 | 111.8 | R529 S812 H813 F818 V819 K820 | R529-E816 IonicContact CZ-OE2 3.52Å; R529-E816 IonicContact NE-OE2 2.83Å; R529-E816 IonicContact NH2-OE1 3.47Å; R529-E816 PolarHBondContact NH2-OE1 3.26Å; R529-E816 VanDerWaalsContact NH2-OE1 3.09Å; R529-E816 IonicContact NH2-OE2 3.92Å; R529-E816 PolarHBondContact NH2-OE2 3.09Å; S812-E816 VanDerWaalsContact O-CB 3.25Å; S812-E816 WeakPolarHBondContact O-CB 3.39Å; S812-E816 PolarHBondContact O-N 3.38Å; H813-E816 IonicContact ND1-OE2 4Å; H813-E816 PolarHBondContact O-N 3.29Å; E816-F818 VanDerWaalsContact C-N 3.35Å; E816-V819 PolarHBondContact O-N 3.44Å; E816-K820 HydrophobicContact CG-CD 3.92Å; E816-K820 HydrophobicContact CG-CG 4.38Å; E816-K820 VanDerWaalsContact O-CB 3.25Å; E816-K820 WeakPolarHBondContact O-CB 3.35Å; E816-K820 WeakPolarHBondContact O-CG 3.3Å; E816-K820 PolarHBondContact O-N 3.47Å; E816-K820 WeakPolarHBondContact OE1-CE 2.9Å; E816-K820 IonicContact OE1-NZ 2.71Å; E816-K820 PolarHBondContact OE1-NZ 2.79Å |
| 817 | T | 88.7 | Confident | 89.3 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64 | -41.4 | 177.4 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | V744 H813 M814 V815 T821 | V744-T817 HydrophobicContact CG1-CG2 3.78Å; H813-T817 WeakPolarHBondContact O-CB 3.19Å; H813-T817 PolarHBondContact O-N 3.18Å; H813-T817 PolarHBondContact O-OG1 3.47Å; M814-T817 PolarHBondContact O-N 3.47Å; V815-T817 VanDerWaalsContact C-N 3.33Å; V815-T817 PolarHBondContact O-N 2.99Å; T817-T821 WeakPolarHBondContact O-CB 3.09Å; T817-T821 PolarHBondContact O-N 3.5Å; T817-T821 PolarHBondContact O-OG1 3.1Å |
| 818 | F | 88.5 | Confident | 89.6 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.8 | -52.6 | 173.6 | -174.1 | -88.7 | 0 | 0 | 0 | 112 | M338 L342 T753 M756 V804 L807 M814 V815 E816 T821 V822 | M338-F818 HydrophobicContact SD-CB 4.2Å; M338-F818 HydrophobicContact SD-CD2 4.22Å; M338-F818 HydrophobicContact SD-CG 4.13Å; L342-F818 HydrophobicContact CB-CZ 4.43Å; L342-F818 HydrophobicContact CD1-CZ 4.24Å; T753-F818 HydrophobicContact CG2-CB 4.25Å; T753-F818 HydrophobicContact CG2-CD2 3.57Å; T753-F818 HydrophobicContact CG2-CE2 4.31Å; T753-F818 HydrophobicContact CG2-CG 4.27Å; M756-F818 HydrophobicContact CE-CE2 4.06Å; M756-F818 HydrophobicContact CE-CZ 4.3Å; M756-F818 HydrophobicContact SD-CE2 3.96Å; M756-F818 HydrophobicContact SD-CZ 4.27Å; V804-F818 HydrophobicContact CG1-CE1 3.99Å; L807-F818 HydrophobicContact CD1-CD1 4.49Å; M814-F818 PolarHBondContact O-N 3.26Å; M814-F818 VanDerWaalsContact O-N 3.1Å; V815-F818 WeakPolarHBondContact O-CB 3.39Å; V815-F818 PolarHBondContact O-N 3.41Å; E816-F818 VanDerWaalsContact C-N 3.35Å; F818-T821 PolarHBondContact O-N 3.01Å; F818-V822 HydrophobicContact CD1-CG2 4.31Å; F818-V822 HydrophobicContact CE1-CG2 3.98Å; F818-V822 HydrophobicContact CZ-CG2 4.2Å; F818-V822 WeakPolarHBondContact O-CG2 3.36Å; F818-V822 PolarHBondContact O-N 3.48Å |
| 819 | V | 91.1 | Very high | 89.8 | Confident | 16 Ų | 16 | 28.1 Ų | 28.1 | 10% | 0.097 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.2 | -45.5 | -179.6 | 175.6 | 0 | 0 | 0 | 0 | 111.7 | V804 L807 V808 V815 E816 T821 V822 F823 | V804-V819 HydrophobicContact CB-CG2 4.36Å; V804-V819 HydrophobicContact CG2-CG1 4.39Å; L807-V819 HydrophobicContact CB-CG2 3.5Å; L807-V819 HydrophobicContact CD1-CG2 4.26Å; V808-V819 HydrophobicContact CG2-CG1 3.74Å; V815-V819 HydrophobicContact CG1-CG2 4.26Å; V815-V819 VanDerWaalsContact O-CG2 3.3Å; V815-V819 WeakPolarHBondContact O-CG2 3.38Å; V815-V819 PolarHBondContact O-N 3.49Å; E816-V819 PolarHBondContact O-N 3.44Å; V819-T821 VanDerWaalsContact C-N 3.32Å; V819-T821 PolarHBondContact O-N 2.86Å; V819-V822 PolarHBondContact O-N 2.8Å; V819-F823 VanDerWaalsContact O-CB 3.25Å; V819-F823 WeakPolarHBondContact O-CB 3.25Å; V819-F823 PolarHBondContact O-N 3.37Å |
| 820 | K | 92.4 | Very high | 90 | Very high | 45 Ų | 45 | 22.1 Ų | 22.1 | 20% | 0.196 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57 | -47 | 176.5 | -80.2 | 175.7 | 176.5 | 174.9 | 0 | 111 | L739 W742 V744 E816 L824 | L739-K820 HydrophobicContact CD2-CB 4.28Å; W742-K820 HydrophobicContact CE3-CB 4.03Å; W742-K820 HydrophobicContact CE3-CD 3.7Å; W742-K820 HydrophobicContact CE3-CG 3.83Å; W742-K820 HydrophobicContact CZ3-CB 3.71Å; W742-K820 HydrophobicContact CZ3-CD 4.03Å; W742-K820 HydrophobicContact CZ3-CG 3.6Å; V744-K820 HydrophobicContact CG2-CD 4.22Å; E816-K820 HydrophobicContact CG-CD 3.92Å; E816-K820 HydrophobicContact CG-CG 4.38Å; E816-K820 VanDerWaalsContact O-CB 3.25Å; E816-K820 WeakPolarHBondContact O-CB 3.35Å; E816-K820 WeakPolarHBondContact O-CG 3.3Å; E816-K820 PolarHBondContact O-N 3.47Å; E816-K820 WeakPolarHBondContact OE1-CE 2.9Å; E816-K820 IonicContact OE1-NZ 2.71Å; E816-K820 PolarHBondContact OE1-NZ 2.79Å; K820-L824 WeakPolarHBondContact O-CB 3.48Å; K820-L824 WeakPolarHBondContact O-CG 3.35Å; K820-L824 PolarHBondContact O-N 2.88Å |
| 821 | T | 91.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.4 | -52.7 | -179.5 | -50.6 | 0 | 0 | 0 | 0 | 110.6 | V735 L739 T753 T817 F818 V819 F823 L824 V825 | V735-T821 HydrophobicContact CG1-CG2 3.95Å; L739-T821 HydrophobicContact CD1-CG2 4.4Å; T753-T821 PolarHBondContact OG1-OG1 2.92Å; T753-T821 VanDerWaalsContact OG1-OG1 3.1Å; T817-T821 WeakPolarHBondContact O-CB 3.09Å; T817-T821 PolarHBondContact O-N 3.5Å; T817-T821 PolarHBondContact O-OG1 3.1Å; F818-T821 PolarHBondContact O-N 3.01Å; V819-T821 VanDerWaalsContact C-N 3.32Å; V819-T821 PolarHBondContact O-N 2.86Å; T821-F823 VanDerWaalsContact C-N 3.3Å; T821-F823 PolarHBondContact O-N 2.97Å; T821-L824 PolarHBondContact O-N 2.64Å; T821-L824 VanDerWaalsContact O-N 3.15Å; T821-V825 HydrophobicContact CG2-CG2 4.15Å; T821-V825 WeakPolarHBondContact O-CG2 3.47Å; T821-V825 PolarHBondContact O-N 2.85Å |
| 822 | V | 90 | Very high | 90.7 | Very high | 5 Ų | 5 | 18.2 Ų | 18.2 | 3% | 0.03 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -56.4 | -45.6 | 178.9 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | M756 V804 F818 V819 L824 V825 V826 | M756-V822 HydrophobicContact CE-CG2 3.43Å; M756-V822 VanDerWaalsContact CE-CG2 3.43Å; V804-V822 HydrophobicContact CG1-CB 4.17Å; V804-V822 HydrophobicContact CG1-CG1 3.84Å; V804-V822 HydrophobicContact CG1-CG2 4.25Å; V804-V822 HydrophobicContact CG2-CB 4.26Å; V804-V822 HydrophobicContact CG2-CG1 3.88Å; F818-V822 HydrophobicContact CD1-CG2 4.31Å; F818-V822 HydrophobicContact CE1-CG2 3.98Å; F818-V822 HydrophobicContact CZ-CG2 4.2Å; F818-V822 WeakPolarHBondContact O-CG2 3.36Å; F818-V822 PolarHBondContact O-N 3.48Å; V819-V822 PolarHBondContact O-N 2.8Å; V822-L824 PolarHBondContact O-N 3.49Å; V822-V825 PolarHBondContact O-N 3.42Å; V822-V826 HydrophobicContact CG1-CG2 4.23Å; V822-V826 WeakPolarHBondContact O-CG2 3.24Å; V822-V826 PolarHBondContact O-N 2.85Å |
| 823 | F | 93.1 | Very high | 90.8 | Very high | 91 Ų | 91 | 18.2 Ų | 18.2 | 40% | 0.399 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -58.2 | -48.1 | 177.4 | 177.6 | -95.3 | 0 | 0 | 0 | 112.3 | I801 V819 T821 V825 V826 V827 | I801-F823 HydrophobicContact CD1-CD2 4.23Å; I801-F823 HydrophobicContact CD1-CE2 4.3Å; I801-F823 HydrophobicContact CG1-CD2 4.23Å; I801-F823 HydrophobicContact CG2-CD2 4.3Å; V819-F823 VanDerWaalsContact O-CB 3.25Å; V819-F823 WeakPolarHBondContact O-CB 3.25Å; V819-F823 PolarHBondContact O-N 3.37Å; T821-F823 VanDerWaalsContact C-N 3.3Å; T821-F823 PolarHBondContact O-N 2.97Å; F823-V825 PolarHBondContact O-N 2.87Å; F823-V826 PolarHBondContact O-N 2.85Å; F823-V827 HydrophobicContact CD1-CG2 4.41Å; F823-V827 HydrophobicContact CD2-CG2 4.39Å; F823-V827 HydrophobicContact CE1-CG2 4.03Å; F823-V827 HydrophobicContact CE2-CG2 4.01Å; F823-V827 HydrophobicContact CZ-CG2 3.82Å; F823-V827 WeakPolarHBondContact O-CB 3.37Å; F823-V827 VanDerWaalsContact O-CG2 3.31Å; F823-V827 WeakPolarHBondContact O-CG2 3.25Å; F823-V827 PolarHBondContact O-N 2.89Å |
| 824 | L | 94.1 | Very high | 91.1 | Very high | 8 Ų | 8 | 17.7 Ų | 17.7 | 4% | 0.042 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.8 | -44.1 | 179.2 | -71.3 | 173.1 | 0 | 0 | 0 | 111.8 | V735 I738 L739 W742 K820 T821 V822 V826 V827 I828 | V735-L824 HydrophobicContact CG2-CB 4.45Å; I738-L824 HydrophobicContact CB-CD1 3.97Å; I738-L824 HydrophobicContact CB-CD2 4.12Å; I738-L824 HydrophobicContact CD1-CD2 3.81Å; I738-L824 HydrophobicContact CG2-CD1 3.81Å; I738-L824 HydrophobicContact CG2-CD2 3.65Å; I738-L824 HydrophobicContact CG2-CG 4.39Å; L739-L824 HydrophobicContact CD2-CD1 3.81Å; L739-L824 HydrophobicContact CG-CD1 3.93Å; W742-L824 HydrophobicContact CE3-CD1 4.05Å; W742-L824 HydrophobicContact CH2-CD1 4.23Å; W742-L824 HydrophobicContact CH2-CD2 3.68Å; W742-L824 HydrophobicContact CH2-CG 3.99Å; W742-L824 HydrophobicContact CZ2-CD2 4.2Å; W742-L824 HydrophobicContact CZ3-CD1 3.69Å; W742-L824 HydrophobicContact CZ3-CD2 4.02Å; W742-L824 HydrophobicContact CZ3-CG 3.85Å; K820-L824 WeakPolarHBondContact O-CB 3.48Å; K820-L824 WeakPolarHBondContact O-CG 3.35Å; K820-L824 PolarHBondContact O-N 2.88Å; T821-L824 PolarHBondContact O-N 2.64Å; T821-L824 VanDerWaalsContact O-N 3.15Å; V822-L824 PolarHBondContact O-N 3.49Å; L824-V826 VanDerWaalsContact C-N 3.35Å; L824-V826 PolarHBondContact O-N 2.63Å; L824-V827 PolarHBondContact O-N 3.37Å; L824-I828 HydrophobicContact CB-CD1 4.28Å; L824-I828 VanDerWaalsContact O-CB 3.23Å; L824-I828 WeakPolarHBondContact O-CB 3.27Å; L824-I828 WeakPolarHBondContact O-CD1 3.16Å; L824-I828 WeakPolarHBondContact O-CG1 3.43Å; L824-I828 PolarHBondContact O-N 2.8Å |
| 825 | V | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.9 | -43.9 | -178.8 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | V735 L760 T821 V822 F823 G829 | V735-V825 HydrophobicContact CG1-CG2 4.13Å; V735-V825 HydrophobicContact CG2-CG2 3.62Å; L760-V825 HydrophobicContact CB-CG1 4.29Å; T821-V825 HydrophobicContact CG2-CG2 4.15Å; T821-V825 WeakPolarHBondContact O-CG2 3.47Å; T821-V825 PolarHBondContact O-N 2.85Å; V822-V825 PolarHBondContact O-N 3.42Å; F823-V825 PolarHBondContact O-N 2.87Å; V825-G829 VanDerWaalsContact O-CA 3.28Å; V825-G829 WeakPolarHBondContact O-CA 3.38Å; V825-G829 PolarHBondContact O-N 2.92Å |
| 826 | V | 92.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.5 | -47.1 | 178.8 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | G797 A800 I801 V822 F823 L824 G829 M830 | G797-V826 WeakPolarHBondContact O-CG1 3.33Å; A800-V826 HydrophobicContact CB-CG2 3.71Å; I801-V826 HydrophobicContact CD1-CB 4.38Å; I801-V826 HydrophobicContact CD1-CG1 3.78Å; I801-V826 HydrophobicContact CG1-CB 4.13Å; I801-V826 HydrophobicContact CG1-CG1 3.8Å; V822-V826 HydrophobicContact CG1-CG2 4.23Å; V822-V826 WeakPolarHBondContact O-CG2 3.24Å; V822-V826 PolarHBondContact O-N 2.85Å; F823-V826 PolarHBondContact O-N 2.85Å; L824-V826 VanDerWaalsContact C-N 3.35Å; L824-V826 PolarHBondContact O-N 2.63Å; V826-G829 PolarHBondContact O-N 3.11Å; V826-M830 HydrophobicContact CG1-CE 3.87Å; V826-M830 HydrophobicContact CG1-CG 4.46Å; V826-M830 HydrophobicContact CG1-SD 4.33Å; V826-M830 WeakPolarHBondContact O-CB 3.16Å; V826-M830 VanDerWaalsContact O-CG 3.25Å; V826-M830 WeakPolarHBondContact O-CG 3.08Å; V826-M830 PolarHBondContact O-N 3.41Å |
| 827 | V | 94.1 | Very high | 91.3 | Very high | 61 Ų | 61 | 18.5 Ų | 18.5 | 37% | 0.37 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -64.9 | -48.2 | -179.2 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | I801 F823 L824 A831 | I801-V827 HydrophobicContact CD1-CG2 4.34Å; F823-V827 HydrophobicContact CD1-CG2 4.41Å; F823-V827 HydrophobicContact CD2-CG2 4.39Å; F823-V827 HydrophobicContact CE1-CG2 4.03Å; F823-V827 HydrophobicContact CE2-CG2 4.01Å; F823-V827 HydrophobicContact CZ-CG2 3.82Å; F823-V827 WeakPolarHBondContact O-CB 3.37Å; F823-V827 VanDerWaalsContact O-CG2 3.31Å; F823-V827 WeakPolarHBondContact O-CG2 3.25Å; F823-V827 PolarHBondContact O-N 2.89Å; L824-V827 PolarHBondContact O-N 3.37Å; V827-A831 WeakPolarHBondContact O-CB 3.49Å; V827-A831 PolarHBondContact O-N 2.85Å |
| 828 | I | 94.7 | Very high | 91 | Very high | 14 Ų | 14 | 18.5 Ų | 18.5 | 7% | 0.072 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.9 | -40.5 | 180 | -61.3 | 167.9 | 0 | 0 | 0 | 109.9 | Y506 I731 V735 I738 L824 A831 H832 | Y506-I828 HydrophobicContact CE2-CG2 4.39Å; Y506-I828 VanDerWaalsContact OH-CG2 3.3Å; Y506-I828 WeakPolarHBondContact OH-CG2 3.24Å; I731-I828 HydrophobicContact CB-CG2 4.33Å; I731-I828 HydrophobicContact CG1-CG2 4.09Å; I731-I828 HydrophobicContact CG2-CG2 4.17Å; V735-I828 HydrophobicContact CG2-CD1 3.98Å; I738-I828 HydrophobicContact CD1-CD1 3.98Å; L824-I828 HydrophobicContact CB-CD1 4.28Å; L824-I828 VanDerWaalsContact O-CB 3.23Å; L824-I828 WeakPolarHBondContact O-CB 3.27Å; L824-I828 WeakPolarHBondContact O-CD1 3.16Å; L824-I828 WeakPolarHBondContact O-CG1 3.43Å; L824-I828 PolarHBondContact O-N 2.8Å; I828-A831 WeakPolarHBondContact O-CB 2.92Å; I828-A831 PolarHBondContact O-N 2.94Å; I828-H832 VanDerWaalsContact CG2-CE1 3.43Å; I828-H832 WeakPolarHBondContact CG2-CE1 3.19Å; I828-H832 WeakPolarHBondContact CG2-ND1 3.24Å; I828-H832 PolarHBondContact O-N 2.96Å; I828-H832 PolarHBondContact O-ND1 2.76Å |
| 829 | G | 93 | Very high | 90.7 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.1 | -46.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y764 V825 V826 A831 H832 G833 | Y764-G829 WeakPolarHBondContact CB-O 3.22Å; V825-G829 VanDerWaalsContact O-CA 3.28Å; V825-G829 WeakPolarHBondContact O-CA 3.38Å; V825-G829 PolarHBondContact O-N 2.92Å; V826-G829 PolarHBondContact O-N 3.11Å; G829-A831 VanDerWaalsContact C-N 3.34Å; G829-A831 PolarHBondContact O-N 3.36Å; G829-H832 PolarHBondContact O-N 3.5Å; G829-G833 PolarHBondContact O-N 3.28Å |
| 830 | M | 91.8 | Very high | 90.3 | Very high | 29 Ų | 29 | 18.1 Ų | 18.1 | 14% | 0.143 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.9 | -43 | 172.2 | -74.5 | -172.1 | -59.1 | 0 | 0 | 111.7 | Y764 T793 V826 H832 G833 L834 | Y764-M830 HydrophobicContact CD1-CG 4.22Å; Y764-M830 HydrophobicContact CE1-CG 4.19Å; T793-M830 HydrophobicContact CG2-CG 4.44Å; V826-M830 HydrophobicContact CG1-CE 3.87Å; V826-M830 HydrophobicContact CG1-CG 4.46Å; V826-M830 HydrophobicContact CG1-SD 4.33Å; V826-M830 WeakPolarHBondContact O-CB 3.16Å; V826-M830 VanDerWaalsContact O-CG 3.25Å; V826-M830 WeakPolarHBondContact O-CG 3.08Å; V826-M830 PolarHBondContact O-N 3.41Å; M830-H832 VanDerWaalsContact C-N 3.31Å; M830-H832 PolarHBondContact O-N 3.48Å; M830-G833 PolarHBondContact O-N 3.04Å; M830-L834 VanDerWaalsContact O-CB 3.24Å; M830-L834 WeakPolarHBondContact O-CB 3.48Å; M830-L834 WeakPolarHBondContact O-CG 3.17Å; M830-L834 PolarHBondContact O-N 2.7Å |
| 831 | A | 92.9 | Very high | 89.7 | Confident | 29 Ų | 29 | 16.4 Ų | 16.4 | 24% | 0.24 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.1 | -38.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | V827 I828 G829 I835 F836 | V827-A831 WeakPolarHBondContact O-CB 3.49Å; V827-A831 PolarHBondContact O-N 2.85Å; I828-A831 WeakPolarHBondContact O-CB 2.92Å; I828-A831 PolarHBondContact O-N 2.94Å; G829-A831 VanDerWaalsContact C-N 3.34Å; G829-A831 PolarHBondContact O-N 3.36Å; A831-I835 WeakPolarHBondContact O-CA 3.27Å; A831-I835 VanDerWaalsContact O-CB 3.3Å; A831-I835 WeakPolarHBondContact O-CB 3.32Å; A831-I835 PolarHBondContact O-N 3.47Å; A831-F836 HydrophobicContact CB-CE2 4.26Å; A831-F836 PolarHBondContact O-N 3.43Å; A831-F836 VanDerWaalsContact O-N 3.16Å |
| 832 | H | 92.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.091 | C | C | . | . | I | π-helix | trans | -66.5 | -48.9 | 174.4 | -76.4 | 70.2 | 0 | 0 | 0 | 111.8 | Y503 Y506 S730 I731 I765 I828 G829 M830 L834 F836 M837 | Y503-H832 AromaticContact CE2-NE2 4Å; Y506-H832 AromaticContact CZ-CE1 3.76Å; S730-H832 WeakPolarHBondContact CB-NE2 3.45Å; S730-H832 PolarHBondContact OG-NE2 3.43Å; I731-H832 HydrophobicContact CD1-CB 3.99Å; I731-H832 HydrophobicContact CG1-CB 4.13Å; I765-H832 HydrophobicContact CG1-CB 4.43Å; I828-H832 VanDerWaalsContact CG2-CE1 3.43Å; I828-H832 WeakPolarHBondContact CG2-CE1 3.19Å; I828-H832 WeakPolarHBondContact CG2-ND1 3.24Å; I828-H832 PolarHBondContact O-N 2.96Å; I828-H832 PolarHBondContact O-ND1 2.76Å; G829-H832 PolarHBondContact O-N 3.5Å; M830-H832 VanDerWaalsContact C-N 3.31Å; M830-H832 PolarHBondContact O-N 3.48Å; H832-L834 PolarHBondContact O-N 2.48Å; H832-F836 AromaticContact CE1-CD2 4Å; H832-F836 AromaticContact CG-CD2 3.99Å; H832-F836 AromaticContact ND1-CD2 3.86Å; H832-M837 VanDerWaalsContact O-CB 3.24Å; H832-M837 WeakPolarHBondContact O-CB 3.43Å; H832-M837 WeakPolarHBondContact O-CG 3.06Å; H832-M837 PolarHBondContact O-N 3.25Å |
| 833 | G | 88.6 | Confident | 88 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.11 | C | C | . | . | I | π-helix | trans | -65.5 | -34.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A768 G829 M830 | A768-G833 VanDerWaalsContact CB-O 3.25Å; A768-G833 WeakPolarHBondContact CB-O 3.33Å; G829-G833 PolarHBondContact O-N 3.28Å; M830-G833 PolarHBondContact O-N 3.04Å |
| 834 | L | 89.3 | Confident | 86.9 | Confident | 15 Ų | 15 | 19.6 Ų | 19.6 | 8% | 0.079 | 11% | 0.111 | C | C | . | . | I | π-helix | trans | -102 | -21.6 | -172.5 | -62.7 | 176.5 | 0 | 0 | 0 | 115.2 | L486 Y786 T793 V794 M830 H832 | L486-L834 HydrophobicContact CD2-CB 4.45Å; Y786-L834 PolarHBondContact OH-O 3.46Å; Y786-L834 VanDerWaalsContact OH-O 3.05Å; T793-L834 HydrophobicContact CG2-CD1 4.24Å; T793-L834 HydrophobicContact CG2-CD2 4.06Å; T793-L834 HydrophobicContact CG2-CG 4Å; V794-L834 HydrophobicContact CG2-CD1 3.63Å; M830-L834 VanDerWaalsContact O-CB 3.24Å; M830-L834 WeakPolarHBondContact O-CB 3.48Å; M830-L834 WeakPolarHBondContact O-CG 3.17Å; M830-L834 PolarHBondContact O-N 2.7Å; H832-L834 PolarHBondContact O-N 2.48Å |
| 835 | I | 90.6 | Very high | 85.5 | Confident | 56 Ų | 56 | 21.5 Ų | 21.5 | 29% | 0.287 | 12% | 0.121 | S | C | . | . | I | π-helix | trans | -123.1 | -61.5 | -173.6 | -53.8 | 174.8 | 0 | 0 | 0 | 111 | I499 M502 A831 A839 | I499-I835 HydrophobicContact CD1-CG2 4.01Å; I499-I835 HydrophobicContact CG1-CG2 4.15Å; I499-I835 HydrophobicContact CG2-CG2 4.12Å; M502-I835 HydrophobicContact CE-CG2 4.49Å; A831-I835 WeakPolarHBondContact O-CA 3.27Å; A831-I835 VanDerWaalsContact O-CB 3.3Å; A831-I835 WeakPolarHBondContact O-CB 3.32Å; A831-I835 PolarHBondContact O-N 3.47Å; I835-A839 WeakPolarHBondContact O-CB 3.44Å; I835-A839 PolarHBondContact O-N 2.82Å |
| 836 | F | 88.9 | Confident | 83.6 | Confident | 14 Ų | 14 | 26.1 Ų | 26.1 | 6% | 0.061 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -70 | -50.7 | -171.1 | -63.4 | -61.2 | 0 | 0 | 0 | 112.4 | I499 M502 Y503 A831 H832 A839 L840 | I499-F836 HydrophobicContact CG2-CD1 3.83Å; I499-F836 HydrophobicContact CG2-CE1 4.35Å; M502-F836 HydrophobicContact CE-CD1 4.43Å; M502-F836 HydrophobicContact CE-CE1 3.44Å; M502-F836 VanDerWaalsContact CE-CE1 3.44Å; M502-F836 HydrophobicContact CE-CZ 3.7Å; M502-F836 HydrophobicContact CG-CE1 4.46Å; Y503-F836 HydrophobicContact CD2-CB 4.16Å; Y503-F836 AromaticContact CD2-CD1 3.66Å; Y503-F836 HydrophobicContact CD2-CD1 3.66Å; Y503-F836 HydrophobicContact CD2-CD2 4.34Å; Y503-F836 HydrophobicContact CD2-CE1 4.05Å; Y503-F836 AromaticContact CD2-CG 3.82Å; Y503-F836 HydrophobicContact CD2-CG 3.82Å; Y503-F836 HydrophobicContact CG-CD1 4.16Å; Y503-F836 HydrophobicContact CG-CE1 4.47Å; A831-F836 HydrophobicContact CB-CE2 4.26Å; A831-F836 PolarHBondContact O-N 3.43Å; A831-F836 VanDerWaalsContact O-N 3.16Å; H832-F836 AromaticContact CE1-CD2 4Å; H832-F836 AromaticContact CG-CD2 3.99Å; H832-F836 AromaticContact ND1-CD2 3.86Å; F836-A839 PolarHBondContact O-N 3.47Å; F836-L840 WeakPolarHBondContact O-CB 3.49Å; F836-L840 VanDerWaalsContact O-CG 3.25Å; F836-L840 WeakPolarHBondContact O-CG 3.47Å; F836-L840 PolarHBondContact O-N 3.25Å |
| 837 | M | 85.5 | Confident | 81.7 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.5 | -46.4 | -176.8 | -67 | -64.9 | 132.4 | 0 | 0 | 113.2 | A727 I765 H832 A839 L840 L841 | A727-M837 HydrophobicContact CB-CE 3.18Å; A727-M837 HydrophobicContact CB-CG 4.33Å; A727-M837 HydrophobicContact CB-SD 3.68Å; I765-M837 HydrophobicContact CG2-CG 4.21Å; H832-M837 VanDerWaalsContact O-CB 3.24Å; H832-M837 WeakPolarHBondContact O-CB 3.43Å; H832-M837 WeakPolarHBondContact O-CG 3.06Å; H832-M837 PolarHBondContact O-N 3.25Å; M837-A839 VanDerWaalsContact C-N 3.31Å; M837-A839 PolarHBondContact O-N 3.1Å; M837-L840 HydrophobicContact CE-CD1 4.24Å; M837-L840 PolarHBondContact O-N 3.34Å; M837-L841 HydrophobicContact CB-CD1 4.49Å; M837-L841 WeakPolarHBondContact O-CB 3.1Å; M837-L841 VanDerWaalsContact O-CG 3.26Å; M837-L841 WeakPolarHBondContact O-CG 3.49Å; M837-L841 PolarHBondContact O-N 2.87Å |
| 838 | P | 81.9 | Confident | 79.4 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.3 | -41.9 | 175.8 | -25.1 | 35.1 | 0 | 0 | 0 | 113 | V490 Y772 Y786 S842 | V490-P838 HydrophobicContact CG1-CB 4.12Å; Y772-P838 HydrophobicContact CD2-CB 4.45Å; Y772-P838 HydrophobicContact CD2-CG 4.25Å; Y772-P838 HydrophobicContact CE1-CB 3.94Å; Y772-P838 HydrophobicContact CE1-CG 4.49Å; Y772-P838 HydrophobicContact CE2-CB 3.81Å; Y772-P838 HydrophobicContact CE2-CG 3.46Å; Y772-P838 VanDerWaalsContact CE2-CG 3.46Å; Y786-P838 HydrophobicContact CE1-CG 4.44Å; Y786-P838 VanDerWaalsContact OH-CB 3.24Å; Y786-P838 WeakPolarHBondContact OH-CB 3.5Å; Y786-P838 WeakPolarHBondContact OH-CG 3.22Å; P838-S842 WeakPolarHBondContact O-CB 3.1Å; P838-S842 PolarHBondContact O-N 3.37Å; P838-S842 VanDerWaalsContact O-N 3.15Å; P838-S842 PolarHBondContact O-OG 3.25Å |
| 839 | A | 83.3 | Confident | 76.8 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.9 | -48 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V490 I499 I835 F836 M837 S842 T843 | V490-A839 HydrophobicContact CG1-CB 4.19Å; I499-A839 HydrophobicContact CB-CB 4.2Å; I499-A839 HydrophobicContact CD1-CB 4.14Å; I499-A839 HydrophobicContact CG2-CB 3.67Å; I835-A839 WeakPolarHBondContact O-CB 3.44Å; I835-A839 PolarHBondContact O-N 2.82Å; F836-A839 PolarHBondContact O-N 3.47Å; M837-A839 VanDerWaalsContact C-N 3.31Å; M837-A839 PolarHBondContact O-N 3.1Å; A839-S842 PolarHBondContact O-N 3.43Å; A839-S842 PolarHBondContact O-OG 3.46Å; A839-T843 PolarHBondContact O-N 2.69Å |
| 840 | L | 82.1 | Confident | 74.1 | Confident | 13 Ų | 13 | 36 Ų | 36 | 7% | 0.068 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.8 | -42.3 | -178.5 | -68.8 | 168.5 | 0 | 0 | 0 | 113.2 | I500 Y503 W723 F836 M837 S842 T843 I844 | I500-L840 HydrophobicContact CG1-CD2 4.19Å; Y503-L840 HydrophobicContact CD1-CD1 4.47Å; Y503-L840 HydrophobicContact CE1-CD1 4.37Å; Y503-L840 HydrophobicContact CE2-CD1 4.48Å; W723-L840 HydrophobicContact CE3-CD1 4.44Å; W723-L840 HydrophobicContact CZ3-CB 4.26Å; W723-L840 HydrophobicContact CZ3-CD1 3.97Å; W723-L840 HydrophobicContact CZ3-CG 4.5Å; F836-L840 WeakPolarHBondContact O-CB 3.49Å; F836-L840 VanDerWaalsContact O-CG 3.25Å; F836-L840 WeakPolarHBondContact O-CG 3.47Å; F836-L840 PolarHBondContact O-N 3.25Å; M837-L840 HydrophobicContact CE-CD1 4.24Å; M837-L840 PolarHBondContact O-N 3.34Å; L840-S842 VanDerWaalsContact C-N 3.3Å; L840-S842 PolarHBondContact O-N 2.91Å; L840-T843 PolarHBondContact O-N 3.4Å; L840-T843 PolarHBondContact O-OG1 2.8Å; L840-I844 PolarHBondContact O-N 3.34Å |
| 841 | L | 78.9 | Confident | 71.5 | Confident | 9 Ų | 9 | 42.4 Ų | 42.4 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 177.3 | -70.6 | 168.1 | 0 | 0 | 0 | 111 | W723 T769 M837 T843 I844 M845 | W723-L841 HydrophobicContact CB-CD2 3.98Å; W723-L841 HydrophobicContact CG-CD2 3.81Å; T769-L841 HydrophobicContact CG2-CD1 3.86Å; T769-L841 HydrophobicContact CG2-CD2 4.41Å; M837-L841 HydrophobicContact CB-CD1 4.49Å; M837-L841 WeakPolarHBondContact O-CB 3.1Å; M837-L841 VanDerWaalsContact O-CG 3.26Å; M837-L841 WeakPolarHBondContact O-CG 3.49Å; M837-L841 PolarHBondContact O-N 2.87Å; L841-T843 PolarHBondContact O-N 3.2Å; L841-I844 PolarHBondContact O-N 3.49Å; L841-M845 WeakPolarHBondContact O-CB 3.19Å; L841-M845 PolarHBondContact O-N 3.22Å |
| 842 | S | 74.3 | Confident | 69.1 | Low | 11 Ų | 11 | 47.7 Ų | 47.7 | 8% | 0.077 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -72.7 | -9.4 | -179.1 | 77.5 | 0 | 0 | 0 | 0 | 115.3 | K496 Y776 P838 A839 L840 | K496-S842 WeakPolarHBondContact CE-OG 3.3Å; K496-S842 PolarHBondContact NZ-O 3.43Å; K496-S842 PolarHBondContact NZ-OG 3.47Å; Y776-S842 WeakPolarHBondContact OH-CA 3.48Å; Y776-S842 PolarHBondContact OH-O 3.31Å; P838-S842 WeakPolarHBondContact O-CB 3.1Å; P838-S842 PolarHBondContact O-N 3.37Å; P838-S842 VanDerWaalsContact O-N 3.15Å; P838-S842 PolarHBondContact O-OG 3.25Å; A839-S842 PolarHBondContact O-N 3.43Å; A839-S842 PolarHBondContact O-OG 3.46Å; L840-S842 VanDerWaalsContact C-N 3.3Å; L840-S842 PolarHBondContact O-N 2.91Å |
| 843 | T | 72.8 | Confident | 66.4 | Low | 68 Ų | 68 | 53.1 Ų | 53.1 | 42% | 0.417 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -98.6 | -28 | 175.3 | 51 | 0 | 0 | 0 | 0 | 112.5 | K496 I500 A839 L840 L841 | K496-T843 HydrophobicContact CD-CG2 3.97Å; I500-T843 HydrophobicContact CD1-CG2 4.18Å; A839-T843 PolarHBondContact O-N 2.69Å; L840-T843 PolarHBondContact O-N 3.4Å; L840-T843 PolarHBondContact O-OG1 2.8Å; L841-T843 PolarHBondContact O-N 3.2Å |
| 844 | I | 69.8 | Low | 63.9 | Low | 83 Ų | 83 | 56.1 Ų | 56.1 | 43% | 0.426 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -111.8 | -26.1 | -167.4 | -65.8 | 167.7 | 0 | 0 | 0 | 112.1 | W723 L840 L841 P846 | W723-I844 HydrophobicContact CH2-CD1 3.76Å; W723-I844 HydrophobicContact CZ2-CB 4.48Å; W723-I844 HydrophobicContact CZ2-CD1 3.3Å; W723-I844 HydrophobicContact CZ2-CG1 4.45Å; W723-I844 HydrophobicContact CZ2-CG2 4.34Å; L840-I844 PolarHBondContact O-N 3.34Å; L841-I844 PolarHBondContact O-N 3.49Å; I844-P846 VanDerWaalsContact O-CD 3.24Å; I844-P846 WeakPolarHBondContact O-CD 3.17Å |
| 845 | M | 64.9 | Low | 61.4 | Low | 49 Ų | 49 | 64.5 Ų | 64.5 | 24% | 0.241 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -71.3 | 115.2 | 176.1 | -161.4 | 157.4 | -178.3 | 0 | 0 | 108.7 | L841 D847 | L841-M845 WeakPolarHBondContact O-CB 3.19Å; L841-M845 PolarHBondContact O-N 3.22Å; M845-D847 PolarHBondContact O-N 2.86Å |
| 846 | P | 52.7 | Low | 59 | Low | 97 Ų | 97 | 64.4 Ų | 64.4 | 63% | 0.63 | 36% | 0.356 | S | S | * | . | trans | -60.1 | 133.9 | -179.7 | 23.1 | -31 | 0 | 0 | 0 | 108.7 | I844 A848 | I844-P846 VanDerWaalsContact O-CD 3.24Å; I844-P846 WeakPolarHBondContact O-CD 3.17Å; P846-A848 PolarHBondContact O-N 2.62Å | ||
| 847 | D | 52.7 | Low | 56.8 | Low | 111 Ų | 111 | 68 Ų | 68 | 59% | 0.594 | 38% | 0.375 | S | S | * | . | trans | -52 | 114.3 | 175.1 | -74.9 | -32.8 | 0 | 0 | 0 | 108.2 | Y776 M845 S849 | Y776-D847 WeakPolarHBondContact CE1-OD1 3.36Å; M845-D847 PolarHBondContact O-N 2.86Å; D847-S849 VanDerWaalsContact CB-OG 3.31Å; D847-S849 WeakPolarHBondContact CB-OG 3.26Å; D847-S849 PolarHBondContact O-N 3.13Å; D847-S849 PolarHBondContact O-OG 3.2Å | ||
| 848 | A | 46.2 | Very low | 54.5 | Low | 56 Ų | 56 | 74.5 Ų | 74.5 | 46% | 0.463 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 13.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P846 G850 | P846-A848 PolarHBondContact O-N 2.62Å; A848-G850 PolarHBondContact O-N 3.06Å |
| 849 | S | 41.5 | Very low | 52.7 | Low | 57 Ų | 57 | 78.8 Ų | 78.8 | 40% | 0.399 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59 | -30.6 | 179.4 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | D847 E851 E853 | D847-S849 VanDerWaalsContact CB-OG 3.31Å; D847-S849 WeakPolarHBondContact CB-OG 3.26Å; D847-S849 PolarHBondContact O-N 3.13Å; D847-S849 PolarHBondContact O-OG 3.2Å; S849-E851 PolarHBondContact O-N 3.34Å; S849-E853 WeakPolarHBondContact O-CB 3.41Å; S849-E853 PolarHBondContact O-N 3.33Å |
| 850 | G | 34.8 | Very low | 50.6 | Low | 58 Ų | 58 | 88.7 Ų | 88.7 | 60% | 0.598 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.7 | -35.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | A848 S854 | A848-G850 PolarHBondContact O-N 3.06Å; G850-S854 PolarHBondContact O-OG 3.37Å |
| 851 | E | 38.5 | Very low | 48.6 | Very low | 164 Ų | 164 | 96.4 Ų | 96.4 | 77% | 0.766 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -98.8 | -23.2 | -169.4 | -86.7 | -171.8 | 153.1 | 0 | 0 | 115 | S849 S854 | S849-E851 PolarHBondContact O-N 3.34Å; E851-S854 PolarHBondContact O-OG 3.37Å |
| 852 | K | 41.3 | Very low | 46.9 | Very low | 139 Ų | 139 | 102.4 Ų | 102.4 | 60% | 0.604 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -98.3 | -25.9 | 176.8 | -79.6 | -176.2 | 178.4 | 178.8 | 0 | 113.3 | F777 R855 S856 | F777-K852 HydrophobicContact CE1-CD 4.46Å; F777-K852 HydrophobicContact CZ-CD 4.06Å; K852-R855 PolarHBondContact O-N 3.47Å; K852-S856 PolarHBondContact O-N 3.4Å; K852-S856 PolarHBondContact O-OG 2.9Å |
| 853 | E | 36.6 | Very low | 45.2 | Very low | 115 Ų | 115 | 109.8 Ų | 109.8 | 54% | 0.537 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -73.1 | -32.4 | 176.3 | -159 | 160.6 | -160.5 | 0 | 0 | 111.7 | S849 S856 I857 | S849-E853 WeakPolarHBondContact O-CB 3.41Å; S849-E853 PolarHBondContact O-N 3.33Å; E853-S856 PolarHBondContact O-N 3.29Å; E853-S856 PolarHBondContact O-OG 3.29Å; E853-I857 HydrophobicContact CG-CD1 3.98Å; E853-I857 HydrophobicContact CG-CG1 4.5Å; E853-I857 WeakPolarHBondContact O-CB 3.3Å; E853-I857 WeakPolarHBondContact O-CD1 3.06Å; E853-I857 WeakPolarHBondContact O-CG1 3.08Å; E853-I857 PolarHBondContact O-N 2.86Å |
| 854 | S | 34.8 | Very low | 43.2 | Very low | 63 Ų | 63 | 115.4 Ų | 115.4 | 44% | 0.441 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.1 | -44 | 168.9 | 42.1 | 0 | 0 | 0 | 0 | 112.1 | G850 E851 E858 | G850-S854 PolarHBondContact O-OG 3.37Å; E851-S854 PolarHBondContact O-OG 3.37Å; S854-E858 WeakPolarHBondContact O-CB 3.31Å; S854-E858 PolarHBondContact O-N 3.48Å; S854-E858 VanDerWaalsContact O-N 3.14Å |
| 855 | R | 37.3 | Very low | 41.3 | Very low | 191 Ų | 191 | 119.1 Ų | 119.1 | 72% | 0.721 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -69.9 | -33.5 | 176.3 | -74.7 | -174.9 | 178 | -176.3 | 1.8 | 114 | K852 T859 | K852-R855 PolarHBondContact O-N 3.47Å; R855-T859 PolarHBondContact O-N 2.85Å; R855-T859 VanDerWaalsContact O-N 3.13Å; R855-T859 PolarHBondContact O-OG1 3.11Å |
| 856 | S | 40.4 | Very low | 39.9 | Very low | 53 Ų | 53 | 126.3 Ų | 126.3 | 37% | 0.371 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -78.8 | -29.9 | 179.2 | 74.7 | 0 | 0 | 0 | 0 | 112.9 | K852 E853 T859 R860 | K852-S856 PolarHBondContact O-N 3.4Å; K852-S856 PolarHBondContact O-OG 2.9Å; E853-S856 PolarHBondContact O-N 3.29Å; E853-S856 PolarHBondContact O-OG 3.29Å; S856-T859 WeakPolarHBondContact CA-OG1 3.35Å; S856-T859 PolarHBondContact O-OG1 3.29Å; S856-R860 VanDerWaalsContact O-CB 3.24Å; S856-R860 WeakPolarHBondContact O-CB 3.38Å; S856-R860 PolarHBondContact O-N 2.86Å |
| 857 | I | 41.5 | Very low | 39.1 | Very low | 90 Ų | 90 | 126.1 Ų | 126.1 | 46% | 0.462 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -71.4 | -36.8 | 171.8 | -69.5 | 167.4 | 0 | 0 | 0 | 110.8 | E853 R860 K861 | E853-I857 HydrophobicContact CG-CD1 3.98Å; E853-I857 HydrophobicContact CG-CG1 4.5Å; E853-I857 WeakPolarHBondContact O-CB 3.3Å; E853-I857 WeakPolarHBondContact O-CD1 3.06Å; E853-I857 WeakPolarHBondContact O-CG1 3.08Å; E853-I857 PolarHBondContact O-N 2.86Å; I857-R860 PolarHBondContact O-N 3.17Å; I857-K861 PolarHBondContact O-N 3.46Å |
| 858 | E | 39.3 | Very low | 37.9 | Very low | 137 Ų | 137 | 129.2 Ų | 129.2 | 64% | 0.64 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.9 | -35.6 | 177.4 | -147.4 | 161.7 | -146.7 | 0 | 0 | 112.1 | S854 | S854-E858 WeakPolarHBondContact O-CB 3.31Å; S854-E858 PolarHBondContact O-N 3.48Å; S854-E858 VanDerWaalsContact O-N 3.14Å |
| 859 | T | 43.3 | Very low | 37.1 | Very low | 91 Ų | 91 | 131.6 Ų | 131.6 | 56% | 0.558 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75.5 | -33.2 | 170.6 | 30.9 | 0 | 0 | 0 | 0 | 113.2 | R855 S856 N862 H863 | R855-T859 PolarHBondContact O-N 2.85Å; R855-T859 VanDerWaalsContact O-N 3.13Å; R855-T859 PolarHBondContact O-OG1 3.11Å; S856-T859 WeakPolarHBondContact CA-OG1 3.35Å; S856-T859 PolarHBondContact O-OG1 3.29Å; T859-N862 PolarHBondContact O-N 3.47Å; T859-H863 PolarHBondContact O-N 3.31Å |
| 860 | R | 39.1 | Very low | 36.9 | Very low | 208 Ų | 208 | 133.4 Ų | 133.4 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -69.6 | -26.7 | 174.3 | -98.4 | -179.3 | 166.4 | 175.3 | -2.8 | 114.2 | S856 I857 N862 | S856-R860 VanDerWaalsContact O-CB 3.24Å; S856-R860 WeakPolarHBondContact O-CB 3.38Å; S856-R860 PolarHBondContact O-N 2.86Å; I857-R860 PolarHBondContact O-N 3.17Å; R860-N862 VanDerWaalsContact C-N 3.27Å |
| 861 | K | 40.7 | Very low | 36.9 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 76% | 0.761 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -70.7 | -23.3 | 173 | -88.3 | -177.9 | 175 | 177 | 0 | 113 | I857 | I857-K861 PolarHBondContact O-N 3.46Å |
| 862 | N | 42.6 | Very low | 36.7 | Very low | 135 Ų | 135 | 135 Ų | 135 | 72% | 0.722 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -98.1 | -11.9 | -176.4 | -69.4 | -16.6 | 0 | 0 | 0 | 114.5 | T859 R860 | T859-N862 PolarHBondContact O-N 3.47Å; R860-N862 VanDerWaalsContact C-N 3.27Å |
| 863 | H | 37.5 | Very low | 36.3 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 76% | 0.764 | 68% | 0.678 | S | S | * | * | trans | -122.2 | 84.3 | 175.8 | -91.9 | -74.1 | 0 | 0 | 0 | 111.4 | T859 | T859-H863 PolarHBondContact O-N 3.31Š| ||
| 864 | K | 31.8 | Very low | 36 | Very low | 186 Ų | 186 | 136.3 Ų | 136.3 | 81% | 0.809 | 69% | 0.686 | S | S | * | * | trans | -83.3 | 137.3 | 160.2 | -96.2 | -177.1 | 176.3 | 178.9 | 0 | 108.9 | ||||
| 865 | L | 29.8 | Very low | 35.9 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 84% | 0.843 | 70% | 0.703 | S | S | * | * | trans | 73.5 | 98.6 | 179.3 | -72.5 | 100.2 | 0 | 0 | 0 | 116.6 | ||||
| 866 | E | 34.9 | Very low | 35.8 | Very low | 200 Ų | 200 | 139 Ų | 139 | 94% | 0.935 | 69% | 0.691 | S | S | * | * | -179.8 | 144.8 | 121.4 | -97 | 171.9 | -172.8 | 0 | 0 | 111 | |||||
| 867 | A | 36.3 | Very low | 35.4 | Very low | 94 Ų | 94 | 143.1 Ų | 143.1 | 78% | 0.777 | 71% | 0.709 | S | S | * | * | trans | -70 | 149.1 | -162.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | P869 | A867-P869 WeakPolarHBondContact O-CD 3.24Š| ||
| 868 | L | 27.3 | Very low | 34.9 | Very low | 176 Ų | 176 | 146.4 Ų | 146.4 | 92% | 0.921 | 72% | 0.722 | S | S | * | * | trans | -61.9 | 135.1 | -178.8 | -83.7 | 89.7 | 0 | 0 | 0 | 113.8 | ||||
| 869 | P | 29.9 | Very low | 34.5 | Very low | 106 Ų | 106 | 148.6 Ų | 148.6 | 69% | 0.688 | 73% | 0.733 | S | S | * | * | trans | -127.9 | 139.5 | 135.8 | 29.6 | -13.5 | 0 | 0 | 0 | 112.7 | A867 | A867-P869 WeakPolarHBondContact O-CD 3.24Š| ||
| 870 | T | 36.7 | Very low | 33.9 | Very low | 95 Ų | 95 | 148.1 Ų | 148.1 | 58% | 0.583 | 74% | 0.737 | S | S | * | * | trans | 26.8 | 111.5 | 152.3 | 43.1 | 0 | 0 | 0 | 0 | 119.3 | V872 D873 | T870-V872 PolarHBondContact O-N 3.13Å; T870-D873 PolarHBondContact O-N 2.67Å | ||
| 871 | I | 35.2 | Very low | 33.4 | Very low | 142 Ų | 142 | 144.2 Ų | 144.2 | 73% | 0.728 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -5.7 | -179.8 | -69.6 | 167.3 | 0 | 0 | 0 | 114.9 | W875 | I871-W875 VanDerWaalsContact O-CD1 3.28Š|
| 872 | V | 35.1 | Very low | 32.9 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 68% | 0.679 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -27.2 | 179.7 | -179.3 | 0 | 0 | 0 | 0 | 112.9 | T870 | T870-V872 PolarHBondContact O-N 3.13Š|
| 873 | D | 33.4 | Very low | 32.1 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 51% | 0.513 | 75% | 0.746 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.8 | -19.4 | -179.4 | -72.3 | -37.1 | 0 | 0 | 0 | 113.4 | T870 W875 Q876 | T870-D873 PolarHBondContact O-N 2.67Å; D873-W875 VanDerWaalsContact C-N 3.3Å; D873-W875 PolarHBondContact O-N 3.39Å; D873-Q876 PolarHBondContact O-N 3.14Å |
| 874 | R | 28.7 | Very low | 31.7 | Very low | 187 Ų | 187 | 139.7 Ų | 139.7 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -73 | -23.3 | 179.8 | -166.3 | 175.4 | -87.3 | -170.8 | -8.3 | 112.7 | Q876 | R874-Q876 VanDerWaalsContact C-N 3.33Å; R874-Q876 PolarHBondContact O-N 2.95Å |
| 875 | W | 32.7 | Very low | 31.7 | Very low | 208 Ų | 208 | 135.6 Ų | 135.6 | 79% | 0.788 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -80.9 | -11 | -180 | -75.5 | 64.1 | 0 | 0 | 0 | 113.9 | I871 D873 | I871-W875 VanDerWaalsContact O-CD1 3.28Å; D873-W875 VanDerWaalsContact C-N 3.3Å; D873-W875 PolarHBondContact O-N 3.39Å |
| 876 | Q | 35.5 | Very low | 31.7 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 47% | 0.472 | 74% | 0.743 | S | S | . | * | G | 310 helix | trans | -98.5 | -9.5 | 179.6 | -71 | -178.1 | -7.2 | 0 | 0 | 113.8 | K362 D873 R874 | K362-Q876 VanDerWaalsContact CE-OE1 3.25Å; D873-Q876 PolarHBondContact O-N 3.14Å; R874-Q876 VanDerWaalsContact C-N 3.33Å; R874-Q876 PolarHBondContact O-N 2.95Å |
| 877 | N | 32 | Very low | 31.4 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -115.7 | 2.2 | -174.1 | -71.6 | -23.6 | 0 | 0 | 0 | 114.3 | ||
| 878 | E | 30.8 | Very low | 31.3 | Very low | 159 Ų | 159 | 138.4 Ų | 138.4 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | trans | -109.5 | 56.4 | 173.6 | -73.7 | -177.6 | 172.2 | 0 | 0 | 110.9 | ||||
| 879 | E | 32.1 | Very low | 31.6 | Very low | 184 Ų | 184 | 136.4 Ų | 136.4 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | trans | -81.7 | 136.7 | 154.2 | -76.6 | -171.5 | 161.4 | 0 | 0 | 108.9 | ||||
| 880 | A | 29.8 | Very low | 31.9 | Very low | 80 Ų | 80 | 134.6 Ų | 134.6 | 66% | 0.661 | 72% | 0.723 | S | S | * | * | trans | -43 | 148.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | T882 | A880-T882 PolarHBondContact O-N 3.34Š| ||
| 881 | P | 29.8 | Very low | 31.8 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | trans | -58.9 | 112.7 | 176.7 | 25.9 | -32.5 | 0 | 0 | 0 | 109.1 | G883 | P881-G883 PolarHBondContact O-N 2.94Š| ||
| 882 | T | 28.8 | Very low | 31.7 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 94% | 0.939 | 72% | 0.715 | S | S | * | * | trans | -69.6 | 68.7 | 165.8 | 40.8 | 0 | 0 | 0 | 0 | 108.8 | A880 | A880-T882 PolarHBondContact O-N 3.34Š| ||
| 883 | G | 27.1 | Very low | 31.8 | Very low | 66 Ų | 66 | 131.3 Ų | 131.3 | 68% | 0.68 | 71% | 0.705 | S | S | * | * | trans | -114.3 | 46.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | P881 | P881-G883 PolarHBondContact O-N 2.94Š| ||
| 884 | L | 27.8 | Very low | 32 | Very low | 160 Ų | 160 | 133.5 Ų | 133.5 | 84% | 0.838 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -125.8 | 102 | 157.7 | -109.9 | 112.9 | 0 | 0 | 0 | 108.5 | S886 | L884-S886 PolarHBondContact O-N 3.46Å; L884-S886 VanDerWaalsContact O-N 3.13Å |
| 885 | S | 31.7 | Very low | 32.4 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 70% | 0.699 | 71% | 0.71 | S | S | * | * | trans | -1.7 | 101 | 149.4 | 55.3 | 0 | 0 | 0 | 0 | 114.9 | R887 | S885-R887 PolarHBondContact O-N 3.2Š| ||
| 886 | S | 30.1 | Very low | 32.4 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -28.1 | 91.2 | 137.3 | 48.2 | 0 | 0 | 0 | 0 | 113.7 | L884 | L884-S886 PolarHBondContact O-N 3.46Å; L884-S886 VanDerWaalsContact O-N 3.13Å |
| 887 | R | 29.7 | Very low | 32.5 | Very low | 214 Ų | 214 | 130.6 Ų | 130.6 | 81% | 0.808 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -174.6 | -10.8 | 148.9 | -113.1 | 172 | 179.4 | -173.5 | -0.5 | 117.2 | S885 | S885-R887 PolarHBondContact O-N 3.2Š|
| 888 | K | 33.9 | Very low | 32.6 | Very low | 184 Ų | 184 | 127.5 Ų | 127.5 | 80% | 0.8 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -112.1 | -9.5 | -170.7 | -77.5 | -174 | 176 | -178.8 | 0 | 117.5 | T891 | K888-T891 PolarHBondContact O-OG1 3.39Š|
| 889 | V | 33.7 | Very low | 32.9 | Very low | 133 Ų | 133 | 128 Ų | 128 | 81% | 0.806 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -105.1 | -18.3 | 178.6 | -177 | 0 | 0 | 0 | 0 | 112.3 | T891 | V889-T891 VanDerWaalsContact C-N 3.29Å; V889-T891 PolarHBondContact O-N 3.4Å |
| 890 | S | 34.9 | Very low | 32.9 | Very low | 69 Ų | 69 | 126.8 Ų | 126.8 | 48% | 0.483 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -76 | -13 | 169.4 | 59.2 | 0 | 0 | 0 | 0 | 113.7 | Q894 | S890-Q894 VanDerWaalsContact O-CB 3.27Å; S890-Q894 WeakPolarHBondContact O-CB 3.15Å; S890-Q894 WeakPolarHBondContact O-CG 3.39Å; S890-Q894 PolarHBondContact O-N 2.91Å; S890-Q894 PolarHBondContact O-OE1 3.01Å |
| 891 | T | 36.1 | Very low | 33 | Very low | 68 Ų | 68 | 131.3 Ų | 131.3 | 42% | 0.417 | 72% | 0.721 | S | S | . | * | H | α-helix | trans | -83.8 | -24.4 | 176.7 | 26.4 | 0 | 0 | 0 | 0 | 113.9 | K888 V889 Q895 | K888-T891 PolarHBondContact O-OG1 3.39Å; V889-T891 VanDerWaalsContact C-N 3.29Å; V889-T891 PolarHBondContact O-N 3.4Å; T891-Q895 VanDerWaalsContact O-CB 3.23Å; T891-Q895 WeakPolarHBondContact O-CB 3.32Å; T891-Q895 VanDerWaalsContact O-CG 3.23Å; T891-Q895 WeakPolarHBondContact O-CG 3.07Å; T891-Q895 PolarHBondContact O-N 3.28Å; T891-Q895 PolarHBondContact O-OE1 3.04Å; T891-Q895 VanDerWaalsContact O-OE1 3.14Å |
| 892 | F | 32.9 | Very low | 33.1 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -86.1 | -29.6 | -178.7 | -148.5 | -103.9 | 0 | 0 | 0 | 112.7 | ||
| 893 | G | 35.8 | Very low | 33.4 | Very low | 47 Ų | 47 | 135.2 Ų | 135.2 | 49% | 0.485 | 71% | 0.714 | S | S | . | * | H | α-helix | trans | -85.7 | -27.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 894 | Q | 37.8 | Very low | 33.9 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 66% | 0.664 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -86.9 | -13.9 | 174.6 | -70.2 | -178.5 | -39.8 | 0 | 0 | 113.6 | S890 A898 | S890-Q894 VanDerWaalsContact O-CB 3.27Å; S890-Q894 WeakPolarHBondContact O-CB 3.15Å; S890-Q894 WeakPolarHBondContact O-CG 3.39Å; S890-Q894 PolarHBondContact O-N 2.91Å; S890-Q894 PolarHBondContact O-OE1 3.01Å; Q894-A898 WeakPolarHBondContact O-CB 3.39Å |
| 895 | Q | 36.6 | Very low | 34.3 | Very low | 142 Ų | 142 | 137 Ų | 137 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -85.8 | -19.1 | 170.5 | -78 | 179.6 | -49.7 | 0 | 0 | 113.9 | T891 | T891-Q895 VanDerWaalsContact O-CB 3.23Å; T891-Q895 WeakPolarHBondContact O-CB 3.32Å; T891-Q895 VanDerWaalsContact O-CG 3.23Å; T891-Q895 WeakPolarHBondContact O-CG 3.07Å; T891-Q895 PolarHBondContact O-N 3.28Å; T891-Q895 PolarHBondContact O-OE1 3.04Å; T891-Q895 VanDerWaalsContact O-OE1 3.14Å |
| 896 | M | 34.5 | Very low | 34.2 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 71% | 0.714 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -88.4 | -21.1 | 173.2 | -93.8 | 174 | 67 | 0 | 0 | 114.2 | ||
| 897 | N | 37.3 | Very low | 34.2 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -100.6 | 5 | 178.3 | -85.4 | -25.1 | 0 | 0 | 0 | 114.7 | ||
| 898 | A | 34.1 | Very low | 34.3 | Very low | 75 Ų | 75 | 140 Ų | 140 | 62% | 0.62 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -98.6 | 6.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q894 | Q894-A898 WeakPolarHBondContact O-CB 3.39Š|
| 899 | H | 36.4 | Very low | 34.2 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 78% | 0.782 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -120.8 | 13.5 | -175.8 | -110.4 | -66.3 | 0 | 0 | 0 | 116.1 | ||
| 900 | L | 31.4 | Very low | 34.1 | Very low | 159 Ų | 159 | 136 Ų | 136 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | trans | -123.9 | 71.2 | 171 | -72.6 | 167.2 | 0 | 0 | 0 | 110 | ||||
| 901 | K | 32.5 | Very low | 34.1 | Very low | 175 Ų | 175 | 141 Ų | 141 | 76% | 0.761 | 73% | 0.732 | S | S | * | * | trans | -107.2 | 100.5 | 169.4 | -139.3 | -173.2 | -174.8 | -151.4 | 0 | 108 | D903 | K901-D903 IonicContact NZ-OD2 3.32Å; K901-D903 PolarHBondContact O-N 3.43Å | ||
| 902 | Y | 31.8 | Very low | 34.1 | Very low | 235 Ų | 235 | 145.3 Ų | 145.3 | 92% | 0.922 | 75% | 0.751 | S | S | * | * | trans | -85.7 | 95.7 | 166.8 | -116 | -93.4 | 0 | 0 | 0 | 107.2 | ||||
| 903 | D | 36.2 | Very low | 34.8 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 68% | 0.679 | 79% | 0.79 | S | S | * | * | trans | -101.6 | 115.6 | 167 | -96.7 | -35.8 | 0 | 0 | 0 | 108.5 | K901 Q905 | K901-D903 IonicContact NZ-OD2 3.32Å; K901-D903 PolarHBondContact O-N 3.43Å; D903-Q905 PolarHBondContact O-N 3.36Å | ||
| 904 | G | 36.3 | Very low | 34.8 | Very low | 75 Ų | 75 | 149.5 Ų | 149.5 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -74.1 | 106.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 905 | Q | 36.2 | Very low | 34.6 | Very low | 187 Ų | 187 | 149.8 Ų | 149.8 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | 26.2 | 119.5 | 139.8 | -73.3 | -178.9 | -32.2 | 0 | 0 | 120 | D903 | D903-Q905 PolarHBondContact O-N 3.36Š| ||
| 906 | K | 30.9 | Very low | 34.5 | Very low | 203 Ų | 203 | 150.3 Ų | 150.3 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | -134.3 | 109.2 | 118.3 | -95.7 | -168.6 | 178.8 | 178.3 | 0 | 111.5 | |||||
| 907 | V | 29.1 | Very low | 34.5 | Very low | 118 Ų | 118 | 150.6 Ų | 150.6 | 72% | 0.715 | 83% | 0.827 | S | S | * | * | trans | 59.5 | 115.6 | 136.3 | -151.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 908 | Q | 31 | Very low | 34.3 | Very low | 175 Ų | 175 | 150.8 Ų | 150.8 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | 150.9 | 99.6 | 121.3 | -86.4 | -161 | -42.7 | 0 | 0 | 109.4 | |||||
| 909 | V | 31.9 | Very low | 34.3 | Very low | 131 Ų | 131 | 155.8 Ų | 155.8 | 79% | 0.794 | 84% | 0.843 | S | S | * | * | 78.5 | 127.2 | 88.5 | 173.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 910 | S | 32.5 | Very low | 34.2 | Very low | 101 Ų | 101 | 154.9 Ų | 154.9 | 71% | 0.706 | 85% | 0.848 | S | S | * | * | trans | 85 | 130.4 | 160.1 | 142 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 911 | K | 34 | Very low | 34.4 | Very low | 175 Ų | 175 | 154.5 Ų | 154.5 | 76% | 0.761 | 85% | 0.849 | S | S | * | * | cis | -174.8 | 145 | 5.9 | -116.4 | 176.3 | 168.8 | -177.4 | 0 | 108.3 | ||||
| 912 | I | 36.8 | Very low | 34.6 | Very low | 157 Ų | 157 | 152.8 Ų | 152.8 | 81% | 0.805 | 86% | 0.856 | S | S | * | * | trans | 74.8 | 121.9 | 140 | -56.8 | 160.9 | 0 | 0 | 0 | 118.8 | ||||
| 913 | G | 48.1 | Very low | 34.8 | Very low | 150 Ų | 150 | 145.4 Ų | 145.4 | 100% | 1.546 | 85% | 0.85 | S | S | * | * | trans | 145.7 | 0 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.4 |
Retrieved 913 of 913 residues in 584.1 ms
(Link to these results)