| 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 | 49 | Very low | 77 | Confident | 199 Ų | 199 | 95.1 Ų | 95.1 | 98% | 0.98 | 51% | 0.509 | S | S | * | . | 0 | -60.1 | 0 | -73.3 | -171.8 | 175.1 | 0 | 0 | 112.3 | G3 D4 C5 | M1-G3 PolarHBondContact O-N 3Å; M1-D4 WeakPolarHBondContact CA-OD2 3.34Å; M1-D4 PolarHBondContact N-OD2 3.09Å; M1-D4 PolarHBondContact O-N 2.83Å; M1-C5 PolarHBondContact O-N 3.3Å | |||
| 2 | E | 58.5 | Low | 78 | Confident | 187 Ų | 187 | 93 Ų | 93 | 87% | 0.874 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.2 | -39.7 | 177.2 | -75.5 | 167.7 | 118.3 | 0 | 0 | 113 | L6 | E2-L6 PolarHBondContact O-N 2.83Å |
| 3 | G | 65.9 | Low | 78.9 | Confident | 46 Ų | 46 | 86.3 Ų | 86.3 | 47% | 0.474 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.5 | -31.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | M1 S7 | M1-G3 PolarHBondContact O-N 3Å; G3-S7 WeakPolarHBondContact O-CB 3.46Å; G3-S7 PolarHBondContact O-N 3.22Å; G3-S7 VanDerWaalsContact O-N 3.09Å; G3-S7 PolarHBondContact O-OG 3.47Å |
| 4 | D | 76 | Confident | 79.9 | Confident | 112 Ų | 112 | 84.1 Ų | 84.1 | 60% | 0.599 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -74.2 | -38.7 | -178.3 | -51.1 | -54.6 | 0 | 0 | 0 | 111.1 | M1 C8 | M1-D4 WeakPolarHBondContact CA-OD2 3.34Å; M1-D4 PolarHBondContact N-OD2 3.09Å; M1-D4 PolarHBondContact O-N 2.83Å; D4-C8 WeakPolarHBondContact O-CB 3.44Å; D4-C8 PolarHBondContact O-N 3.3Å |
| 5 | C | 81 | Confident | 80.8 | Confident | 66 Ų | 66 | 84.1 Ų | 84.1 | 45% | 0.446 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.1 | -45.2 | 176.6 | -171.9 | 0 | 0 | 0 | 0 | 111.7 | M1 S7 C8 M9 | M1-C5 PolarHBondContact O-N 3.3Å; C5-S7 VanDerWaalsContact C-N 3.32Å; C5-S7 PolarHBondContact O-N 3.38Å; C5-C8 WeakPolarHBondContact O-CB 3.37Å; C5-C8 PolarHBondContact O-N 2.93Å; C5-M9 WeakPolarHBondContact O-CG 3.28Å; C5-M9 PolarHBondContact O-N 2.89Å |
| 6 | L | 80.6 | Confident | 81.5 | Confident | 56 Ų | 56 | 87 Ų | 87 | 29% | 0.293 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 178 | -157.1 | 84 | 0 | 0 | 0 | 111.6 | E2 M9 K10 L242 | E2-L6 PolarHBondContact O-N 2.83Å; L6-M9 PolarHBondContact O-N 3.45Å; L6-K10 WeakPolarHBondContact O-CB 3.08Å; L6-K10 PolarHBondContact O-N 3.06Å; L6-L242 HydrophobicContact CD1-CD2 4.34Å; L6-L242 HydrophobicContact CG-CD2 4.06Å |
| 7 | S | 84.7 | Confident | 82.2 | Confident | 58 Ų | 58 | 82.5 Ų | 82.5 | 41% | 0.406 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 173.8 | -63.6 | 0 | 0 | 0 | 0 | 111.5 | G3 C5 K10 Y11 | G3-S7 WeakPolarHBondContact O-CB 3.46Å; G3-S7 PolarHBondContact O-N 3.22Å; G3-S7 VanDerWaalsContact O-N 3.09Å; G3-S7 PolarHBondContact O-OG 3.47Å; C5-S7 VanDerWaalsContact C-N 3.32Å; C5-S7 PolarHBondContact O-N 3.38Å; S7-K10 WeakPolarHBondContact O-CB 3.22Å; S7-K10 PolarHBondContact O-N 3.28Å; S7-Y11 WeakPolarHBondContact O-CD2 3.47Å; S7-Y11 PolarHBondContact O-N 2.68Å |
| 8 | C | 86.9 | Confident | 82.9 | Confident | 70 Ų | 70 | 82.3 Ų | 82.3 | 47% | 0.473 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.1 | -47.9 | 175.8 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | D4 C5 K10 Y11 L12 | D4-C8 WeakPolarHBondContact O-CB 3.44Å; D4-C8 PolarHBondContact O-N 3.3Å; C5-C8 WeakPolarHBondContact O-CB 3.37Å; C5-C8 PolarHBondContact O-N 2.93Å; C8-K10 VanDerWaalsContact C-N 3.32Å; C8-K10 PolarHBondContact O-N 3.48Å; C8-Y11 PolarHBondContact O-N 3.4Å; C8-L12 WeakPolarHBondContact O-CB 3.46Å; C8-L12 WeakPolarHBondContact O-CG 3.44Å; C8-L12 PolarHBondContact O-N 3.42Å |
| 9 | M | 86.6 | Confident | 83.6 | Confident | 45 Ų | 45 | 84.6 Ų | 84.6 | 22% | 0.222 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -59.8 | -41.2 | 176.8 | -70.8 | -179.2 | 178.3 | 0 | 0 | 112.3 | C5 L6 L12 M13 F238 C241 | C5-M9 WeakPolarHBondContact O-CG 3.28Å; C5-M9 PolarHBondContact O-N 2.89Å; L6-M9 PolarHBondContact O-N 3.45Å; M9-L12 PolarHBondContact O-N 2.96Å; M9-M13 VanDerWaalsContact O-CB 3.24Å; M9-M13 WeakPolarHBondContact O-CB 3.45Å; M9-M13 PolarHBondContact O-N 3.44Å; M9-F238 HydrophobicContact CE-CD1 4.45Å; M9-F238 HydrophobicContact CE-CE1 4.26Å; M9-F238 HydrophobicContact CG-CD1 4.35Å; M9-F238 HydrophobicContact CG-CE1 4.45Å; M9-F238 HydrophobicContact SD-CD1 4.18Å; M9-F238 HydrophobicContact SD-CE1 4.5Å; M9-C241 HydrophobicContact SD-CB 4.19Å |
| 10 | K | 88.3 | Confident | 84.1 | Confident | 46 Ų | 46 | 83.8 Ų | 83.8 | 20% | 0.2 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -59.3 | -49.5 | 176 | 175.9 | 178.6 | 169.7 | 173.9 | 0 | 111.7 | L6 S7 C8 M13 F14 A76 E79 L242 | L6-K10 WeakPolarHBondContact O-CB 3.08Å; L6-K10 PolarHBondContact O-N 3.06Å; S7-K10 WeakPolarHBondContact O-CB 3.22Å; S7-K10 PolarHBondContact O-N 3.28Å; C8-K10 VanDerWaalsContact C-N 3.32Å; C8-K10 PolarHBondContact O-N 3.48Å; K10-M13 PolarHBondContact O-N 3.16Å; K10-F14 WeakPolarHBondContact O-CB 3.18Å; K10-F14 PolarHBondContact O-N 3.4Å; K10-A76 WeakPolarHBondContact CE-O 3.39Å; K10-E79 IonicContact NZ-OE1 2.89Å; K10-E79 PolarHBondContact NZ-OE1 2.97Å; K10-L242 HydrophobicContact CB-CD2 3.88Å |
| 11 | Y | 89.6 | Confident | 84.7 | Confident | 161 Ų | 161 | 82 Ų | 82 | 63% | 0.631 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -68.2 | -39.5 | -179.6 | -75 | -68.2 | 0 | 0 | 0 | 112.5 | S7 C8 F14 L15 | S7-Y11 WeakPolarHBondContact O-CD2 3.47Å; S7-Y11 PolarHBondContact O-N 2.68Å; C8-Y11 PolarHBondContact O-N 3.4Å; Y11-F14 PolarHBondContact O-N 3.29Å; Y11-L15 VanDerWaalsContact O-CB 3.28Å; Y11-L15 WeakPolarHBondContact O-CB 3.17Å; Y11-L15 PolarHBondContact O-N 2.97Å |
| 12 | L | 89.5 | Confident | 87 | Confident | 70 Ų | 70 | 76 Ų | 76 | 37% | 0.366 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62 | -49.2 | 174.2 | -74.3 | 170.6 | 0 | 0 | 0 | 111 | C8 M9 F14 L15 F16 | C8-L12 WeakPolarHBondContact O-CB 3.46Å; C8-L12 WeakPolarHBondContact O-CG 3.44Å; C8-L12 PolarHBondContact O-N 3.42Å; M9-L12 PolarHBondContact O-N 2.96Å; L12-F14 VanDerWaalsContact C-N 3.33Å; L12-F14 PolarHBondContact O-N 3.49Å; L12-L15 PolarHBondContact O-N 3.24Å; L12-F16 HydrophobicContact CD2-CE2 4.24Å; L12-F16 WeakPolarHBondContact O-CD2 3.31Å; L12-F16 PolarHBondContact O-N 2.79Å |
| 13 | M | 89.9 | Confident | 88.8 | Confident | 6 Ų | 6 | 68.7 Ų | 68.7 | 3% | 0.03 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 178.2 | -178.3 | 171.8 | 165.4 | 0 | 0 | 111.3 | M9 K10 N17 A76 L84 F87 A239 L242 | M9-M13 VanDerWaalsContact O-CB 3.24Å; M9-M13 WeakPolarHBondContact O-CB 3.45Å; M9-M13 PolarHBondContact O-N 3.44Å; K10-M13 PolarHBondContact O-N 3.16Å; M13-N17 WeakPolarHBondContact CG-ND2 3.37Å; M13-N17 VanDerWaalsContact O-CB 3.31Å; M13-N17 WeakPolarHBondContact O-CB 3.14Å; M13-N17 PolarHBondContact O-N 3.29Å; M13-N17 PolarHBondContact O-ND2 2.83Å; M13-A76 HydrophobicContact CG-CB 4.41Å; M13-L84 HydrophobicContact CE-CD2 3.79Å; M13-L84 HydrophobicContact SD-CD2 4.28Å; M13-F87 HydrophobicContact CE-CD1 3.63Å; M13-F87 HydrophobicContact CE-CE1 3.56Å; M13-F87 HydrophobicContact CE-CG 4.35Å; M13-F87 HydrophobicContact CE-CZ 4.22Å; M13-A239 HydrophobicContact CE-CB 4.41Å; M13-L242 HydrophobicContact CB-CD1 4.3Å; M13-L242 HydrophobicContact SD-CD1 3.51Å; M13-L242 VanDerWaalsContact SD-CD1 3.51Å |
| 14 | F | 92.3 | Very high | 90.3 | Very high | 56 Ų | 56 | 66.5 Ų | 66.5 | 25% | 0.246 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.5 | -49 | 175.2 | 173.5 | -107.2 | 0 | 0 | 0 | 111.6 | K10 Y11 L12 F16 N17 F18 C73 A76 I77 | K10-F14 WeakPolarHBondContact O-CB 3.18Å; K10-F14 PolarHBondContact O-N 3.4Å; Y11-F14 PolarHBondContact O-N 3.29Å; L12-F14 VanDerWaalsContact C-N 3.33Å; L12-F14 PolarHBondContact O-N 3.49Å; F14-F16 PolarHBondContact O-N 2.92Å; F14-N17 PolarHBondContact O-N 3.35Å; F14-F18 HydrophobicContact CE2-CB 4.45Å; F14-F18 HydrophobicContact CE2-CD2 4.49Å; F14-F18 HydrophobicContact CZ-CB 4.36Å; F14-F18 HydrophobicContact CZ-CD2 4.17Å; F14-F18 HydrophobicContact CZ-CG 4.37Å; F14-F18 WeakPolarHBondContact O-CB 3.38Å; F14-F18 PolarHBondContact O-N 2.97Å; F14-C73 HydrophobicContact CD2-CB 3.86Å; F14-C73 HydrophobicContact CE2-CB 3.86Å; F14-A76 HydrophobicContact CB-CB 4.45Å; F14-I77 HydrophobicContact CD1-CD1 4.3Å; F14-I77 HydrophobicContact CD2-CD1 3.29Å; F14-I77 HydrophobicContact CD2-CG1 3.59Å; F14-I77 HydrophobicContact CE1-CD1 4.12Å; F14-I77 HydrophobicContact CE2-CD1 3.1Å; F14-I77 HydrophobicContact CE2-CG1 3.96Å; F14-I77 HydrophobicContact CG-CD1 3.92Å; F14-I77 HydrophobicContact CG-CG1 4.04Å; F14-I77 HydrophobicContact CZ-CD1 3.54Å |
| 15 | L | 93.4 | Very high | 91.3 | Very high | 83 Ų | 83 | 62.9 Ų | 62.9 | 44% | 0.435 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.4 | -48.8 | -177.5 | -176.8 | 65.5 | 0 | 0 | 0 | 112.1 | Y11 L12 F18 F19 | Y11-L15 VanDerWaalsContact O-CB 3.28Å; Y11-L15 WeakPolarHBondContact O-CB 3.17Å; Y11-L15 PolarHBondContact O-N 2.97Å; L12-L15 PolarHBondContact O-N 3.24Å; L15-F18 PolarHBondContact O-N 3.42Å; L15-F19 HydrophobicContact CD1-CD2 4.23Å; L15-F19 HydrophobicContact CD1-CE2 3.49Å; L15-F19 VanDerWaalsContact CD1-CE2 3.49Å; L15-F19 HydrophobicContact CD1-CZ 4.07Å; L15-F19 HydrophobicContact CD2-CE2 4.43Å; L15-F19 HydrophobicContact CG-CD2 4.19Å; L15-F19 HydrophobicContact CG-CE2 3.71Å; L15-F19 WeakPolarHBondContact O-CD2 3.44Å; L15-F19 PolarHBondContact O-N 2.91Å; L15-F19 VanDerWaalsContact O-N 3.16Å |
| 16 | F | 91.8 | Very high | 92 | Very high | 131 Ų | 131 | 63.9 Ų | 63.9 | 58% | 0.575 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.8 | -46.4 | 178.5 | -77.5 | -66.4 | 0 | 0 | 0 | 112 | L12 F14 F18 F19 I20 | L12-F16 HydrophobicContact CD2-CE2 4.24Å; L12-F16 WeakPolarHBondContact O-CD2 3.31Å; L12-F16 PolarHBondContact O-N 2.79Å; F14-F16 PolarHBondContact O-N 2.92Å; F16-F18 PolarHBondContact O-N 3.04Å; F16-F19 PolarHBondContact O-N 2.87Å; F16-I20 WeakPolarHBondContact O-CG1 3.23Å; F16-I20 PolarHBondContact O-N 3.47Å |
| 17 | N | 94 | Very high | 92.7 | Very high | 10 Ų | 10 | 64.3 Ų | 64.3 | 5% | 0.053 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.2 | -27.8 | 177.9 | -77.9 | -78 | 0 | 0 | 0 | 112.3 | M13 F14 I20 F21 G69 F87 | M13-N17 WeakPolarHBondContact CG-ND2 3.37Å; M13-N17 VanDerWaalsContact O-CB 3.31Å; M13-N17 WeakPolarHBondContact O-CB 3.14Å; M13-N17 PolarHBondContact O-N 3.29Å; M13-N17 PolarHBondContact O-ND2 2.83Å; F14-N17 PolarHBondContact O-N 3.35Å; N17-I20 PolarHBondContact O-N 3.23Å; N17-F21 VanDerWaalsContact O-CB 3.26Å; N17-F21 WeakPolarHBondContact O-CB 3.07Å; N17-F21 PolarHBondContact O-N 3.44Å; N17-G69 WeakPolarHBondContact O-CA 3.3Å; N17-F87 VanDerWaalsContact OD1-CE2 3.29Å; N17-F87 WeakPolarHBondContact OD1-CE2 3.24Å |
| 18 | F | 94.7 | Very high | 93.3 | Very high | 80 Ų | 80 | 63.3 Ų | 63.3 | 35% | 0.351 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.7 | -41.3 | 177 | -178.7 | -105.2 | 0 | 0 | 0 | 111.3 | F14 L15 F16 F21 L22 C73 | F14-F18 HydrophobicContact CE2-CB 4.45Å; F14-F18 HydrophobicContact CE2-CD2 4.49Å; F14-F18 HydrophobicContact CZ-CB 4.36Å; F14-F18 HydrophobicContact CZ-CD2 4.17Å; F14-F18 HydrophobicContact CZ-CG 4.37Å; F14-F18 WeakPolarHBondContact O-CB 3.38Å; F14-F18 PolarHBondContact O-N 2.97Å; L15-F18 PolarHBondContact O-N 3.42Å; F16-F18 PolarHBondContact O-N 3.04Å; F18-F21 WeakPolarHBondContact O-CB 3.38Å; F18-F21 PolarHBondContact O-N 3.37Å; F18-L22 HydrophobicContact CD1-CD1 3.99Å; F18-L22 HydrophobicContact CD1-CG 4.48Å; F18-L22 HydrophobicContact CE1-CD1 3.45Å; F18-L22 VanDerWaalsContact CE1-CD1 3.45Å; F18-L22 HydrophobicContact CE1-CG 4.12Å; F18-L22 HydrophobicContact CE2-CG 4.48Å; F18-L22 HydrophobicContact CZ-CD1 3.81Å; F18-L22 HydrophobicContact CZ-CD2 4.27Å; F18-L22 HydrophobicContact CZ-CG 4.11Å; F18-L22 WeakPolarHBondContact O-CG 3.31Å; F18-L22 PolarHBondContact O-N 3.43Å; F18-C73 WeakPolarHBondContact CA-SG 3.43Å; F18-C73 PolarHBondContact N-SG 3.42Å |
| 19 | F | 95.3 | Very high | 93.6 | Very high | 126 Ų | 126 | 61.8 Ų | 61.8 | 55% | 0.553 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.2 | -40.2 | 172.1 | -71.2 | -60.7 | 0 | 0 | 0 | 112.4 | L15 F16 F21 L22 G23 | L15-F19 HydrophobicContact CD1-CD2 4.23Å; L15-F19 HydrophobicContact CD1-CE2 3.49Å; L15-F19 VanDerWaalsContact CD1-CE2 3.49Å; L15-F19 HydrophobicContact CD1-CZ 4.07Å; L15-F19 HydrophobicContact CD2-CE2 4.43Å; L15-F19 HydrophobicContact CG-CD2 4.19Å; L15-F19 HydrophobicContact CG-CE2 3.71Å; L15-F19 WeakPolarHBondContact O-CD2 3.44Å; L15-F19 PolarHBondContact O-N 2.91Å; L15-F19 VanDerWaalsContact O-N 3.16Å; F16-F19 PolarHBondContact O-N 2.87Å; F19-F21 VanDerWaalsContact C-N 3.31Å; F19-F21 PolarHBondContact O-N 2.88Å; F19-L22 PolarHBondContact O-N 2.92Å; F19-G23 PolarHBondContact O-N 3.09Å |
| 20 | I | 94.6 | Very high | 93.9 | Very high | 68 Ų | 68 | 63.2 Ų | 63.2 | 35% | 0.349 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 173.9 | -67 | 168.7 | 0 | 0 | 0 | 110.5 | F16 N17 G23 G24 L65 | F16-I20 WeakPolarHBondContact O-CG1 3.23Å; F16-I20 PolarHBondContact O-N 3.47Å; N17-I20 PolarHBondContact O-N 3.23Å; I20-G23 PolarHBondContact O-N 3Å; I20-G24 PolarHBondContact O-N 3.05Å; I20-L65 HydrophobicContact CG2-CB 4.26Å; I20-L65 HydrophobicContact CG2-CD2 4.11Å |
| 21 | F | 96.8 | Very high | 94 | Very high | 47 Ų | 47 | 61 Ų | 61 | 21% | 0.206 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.2 | -48.1 | 176.5 | 172 | -99.9 | 0 | 0 | 0 | 112 | N17 F18 F19 G24 A25 F66 F70 | N17-F21 VanDerWaalsContact O-CB 3.26Å; N17-F21 WeakPolarHBondContact O-CB 3.07Å; N17-F21 PolarHBondContact O-N 3.44Å; F18-F21 WeakPolarHBondContact O-CB 3.38Å; F18-F21 PolarHBondContact O-N 3.37Å; F19-F21 VanDerWaalsContact C-N 3.31Å; F19-F21 PolarHBondContact O-N 2.88Å; F21-G24 PolarHBondContact O-N 3.44Å; F21-A25 WeakPolarHBondContact O-CB 2.93Å; F21-A25 PolarHBondContact O-N 2.74Å; F21-F66 AromaticContact CD2-CD2 3.81Å; F21-F66 HydrophobicContact CD2-CD2 3.81Å; F21-F66 AromaticContact CD2-CE2 3.91Å; F21-F66 HydrophobicContact CD2-CE2 3.91Å; F21-F66 HydrophobicContact CD2-CG 4.36Å; F21-F66 HydrophobicContact CD2-CZ 4.49Å; F21-F66 HydrophobicContact CE1-CE2 4.5Å; F21-F66 AromaticContact CE2-CD2 3.46Å; F21-F66 HydrophobicContact CE2-CD2 3.46Å; F21-F66 VanDerWaalsContact CE2-CD2 3.46Å; F21-F66 HydrophobicContact CE2-CE1 4.19Å; F21-F66 AromaticContact CE2-CE2 3.07Å; F21-F66 HydrophobicContact CE2-CE2 3.07Å; F21-F66 HydrophobicContact CE2-CG 4.2Å; F21-F66 AromaticContact CE2-CZ 3.48Å; F21-F66 HydrophobicContact CE2-CZ 3.48Å; F21-F66 VanDerWaalsContact CE2-CZ 3.48Å; F21-F66 HydrophobicContact CZ-CD2 4.12Å; F21-F66 AromaticContact CZ-CE2 3.44Å; F21-F66 HydrophobicContact CZ-CE2 3.44Å; F21-F66 VanDerWaalsContact CZ-CE2 3.44Å; F21-F66 AromaticContact CZ-CZ 3.97Å; F21-F66 HydrophobicContact CZ-CZ 3.97Å; F21-F70 HydrophobicContact CD2-CB 4.01Å; F21-F70 HydrophobicContact CE2-CB 4.1Å; F21-F70 HydrophobicContact CE2-CD2 4.33Å |
| 22 | L | 96.9 | Very high | 94.1 | Very high | 72 Ų | 72 | 57.3 Ų | 57.3 | 38% | 0.377 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 177.1 | -71.1 | 179.5 | 0 | 0 | 0 | 111.7 | F18 F19 A25 C26 | F18-L22 HydrophobicContact CD1-CD1 3.99Å; F18-L22 HydrophobicContact CD1-CG 4.48Å; F18-L22 HydrophobicContact CE1-CD1 3.45Å; F18-L22 VanDerWaalsContact CE1-CD1 3.45Å; F18-L22 HydrophobicContact CE1-CG 4.12Å; F18-L22 HydrophobicContact CE2-CG 4.48Å; F18-L22 HydrophobicContact CZ-CD1 3.81Å; F18-L22 HydrophobicContact CZ-CD2 4.27Å; F18-L22 HydrophobicContact CZ-CG 4.11Å; F18-L22 WeakPolarHBondContact O-CG 3.31Å; F18-L22 PolarHBondContact O-N 3.43Å; F19-L22 PolarHBondContact O-N 2.92Å; L22-A25 PolarHBondContact O-N 3.3Å; L22-C26 WeakPolarHBondContact O-CB 3.4Å; L22-C26 PolarHBondContact O-N 2.87Å; L22-C26 PolarHBondContact O-SG 3.33Å |
| 23 | G | 96.3 | Very high | 94.1 | Very high | 33 Ų | 33 | 62 Ų | 62 | 34% | 0.34 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | F19 I20 C26 L27 | F19-G23 PolarHBondContact O-N 3.09Å; I20-G23 PolarHBondContact O-N 3Å; G23-C26 PolarHBondContact O-N 3.29Å; G23-L27 WeakPolarHBondContact O-CB 3.49Å; G23-L27 WeakPolarHBondContact O-CG 3.45Å; G23-L27 PolarHBondContact O-N 2.82Å |
| 24 | G | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I20 F21 L27 L28 | I20-G24 PolarHBondContact O-N 3.05Å; F21-G24 PolarHBondContact O-N 3.44Å; G24-L27 PolarHBondContact O-N 3.07Å; G24-L28 WeakPolarHBondContact O-CB 3.45Å; G24-L28 PolarHBondContact O-N 2.77Å |
| 25 | A | 97 | Very high | 93.6 | Very high | 36 Ų | 36 | 62.2 Ų | 62.2 | 30% | 0.298 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | F21 L22 G29 F66 | F21-A25 WeakPolarHBondContact O-CB 2.93Å; F21-A25 PolarHBondContact O-N 2.74Å; L22-A25 PolarHBondContact O-N 3.3Å; A25-G29 PolarHBondContact O-N 3.38Å; A25-F66 HydrophobicContact CB-CD2 3.89Å; A25-F66 HydrophobicContact CB-CE2 4.2Å |
| 26 | C | 96.5 | Very high | 93.2 | Very high | 87 Ų | 87 | 63.1 Ų | 63.1 | 59% | 0.588 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63.4 | -49.4 | 175.7 | -71.8 | 0 | 0 | 0 | 0 | 111.6 | L22 G23 L28 G29 V30 | L22-C26 WeakPolarHBondContact O-CB 3.4Å; L22-C26 PolarHBondContact O-N 2.87Å; L22-C26 PolarHBondContact O-SG 3.33Å; G23-C26 PolarHBondContact O-N 3.29Å; C26-L28 VanDerWaalsContact C-N 3.35Å; C26-L28 PolarHBondContact O-N 3.36Å; C26-G29 PolarHBondContact O-N 2.93Å; C26-V30 WeakPolarHBondContact O-CG2 3.44Å; C26-V30 PolarHBondContact O-N 3.48Å |
| 27 | L | 95.6 | Very high | 92.7 | Very high | 66 Ų | 66 | 57.4 Ų | 57.4 | 35% | 0.346 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 178.6 | -74.3 | 173.7 | 0 | 0 | 0 | 111.7 | G23 G24 V30 G31 M58 L65 | G23-L27 WeakPolarHBondContact O-CB 3.49Å; G23-L27 WeakPolarHBondContact O-CG 3.45Å; G23-L27 PolarHBondContact O-N 2.82Å; G24-L27 PolarHBondContact O-N 3.07Å; L27-V30 PolarHBondContact O-N 3.12Å; L27-G31 PolarHBondContact O-N 2.9Å; L27-M58 HydrophobicContact CD2-CE 3.55Å; L27-M58 HydrophobicContact CD2-CG 4.47Å; L27-L65 HydrophobicContact CD1-CD1 3.93Å |
| 28 | L | 95.6 | Very high | 91.2 | Very high | 36 Ų | 36 | 62.8 Ų | 62.8 | 19% | 0.188 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 176.8 | -177.1 | 61.3 | 0 | 0 | 0 | 111.2 | G24 C26 G31 I32 L59 A63 | G24-L28 WeakPolarHBondContact O-CB 3.45Å; G24-L28 PolarHBondContact O-N 2.77Å; C26-L28 VanDerWaalsContact C-N 3.35Å; C26-L28 PolarHBondContact O-N 3.36Å; L28-G31 PolarHBondContact O-N 3.33Å; L28-I32 HydrophobicContact CD1-CD1 4.19Å; L28-I32 HydrophobicContact CD1-CG1 4.4Å; L28-I32 HydrophobicContact CG-CD1 3.96Å; L28-I32 VanDerWaalsContact O-CG1 3.26Å; L28-I32 WeakPolarHBondContact O-CG1 3.25Å; L28-I32 PolarHBondContact O-N 3.42Å; L28-L59 HydrophobicContact CD1-CD1 3.68Å; L28-L59 HydrophobicContact CD1-CG 4.16Å; L28-A63 HydrophobicContact CD1-CB 3.97Å |
| 29 | G | 94.3 | Very high | 90.1 | Very high | 39 Ų | 39 | 64.5 Ų | 64.5 | 40% | 0.402 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A25 C26 I32 W33 | A25-G29 PolarHBondContact O-N 3.38Å; C26-G29 PolarHBondContact O-N 2.93Å; G29-I32 PolarHBondContact O-N 3.3Å; G29-W33 WeakPolarHBondContact O-CB 3.3Å; G29-W33 PolarHBondContact O-N 2.97Å |
| 30 | V | 91.9 | Very high | 88.9 | Confident | 74 Ų | 74 | 59.8 Ų | 59.8 | 45% | 0.448 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 174.8 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | C26 L27 I32 W33 V34 M58 | C26-V30 WeakPolarHBondContact O-CG2 3.44Å; C26-V30 PolarHBondContact O-N 3.48Å; L27-V30 PolarHBondContact O-N 3.12Å; V30-I32 PolarHBondContact O-N 3.21Å; V30-W33 WeakPolarHBondContact O-CB 3.39Å; V30-W33 PolarHBondContact O-N 3.03Å; V30-V34 HydrophobicContact CG1-CG2 4.32Å; V30-V34 VanDerWaalsContact O-CG2 3.31Å; V30-V34 WeakPolarHBondContact O-CG2 3.26Å; V30-V34 PolarHBondContact O-N 3.22Å; V30-M58 HydrophobicContact CB-CE 3.68Å; V30-M58 HydrophobicContact CG1-CE 3.53Å; V30-M58 HydrophobicContact CG1-SD 4.19Å |
| 31 | G | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L27 L28 V34 I35 | L27-G31 PolarHBondContact O-N 2.9Å; L28-G31 PolarHBondContact O-N 3.33Å; G31-V34 PolarHBondContact O-N 3.4Å; G31-I35 WeakPolarHBondContact O-CG1 3.4Å; G31-I35 PolarHBondContact O-N 3.07Å; G31-I35 VanDerWaalsContact O-N 3.17Å |
| 32 | I | 91.6 | Very high | 86.9 | Confident | 83 Ų | 83 | 65.4 Ų | 65.4 | 43% | 0.426 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.6 | -46.1 | 174.1 | -67.4 | 165.8 | 0 | 0 | 0 | 110.1 | L28 G29 V30 V34 I35 V36 L59 | L28-I32 HydrophobicContact CD1-CD1 4.19Å; L28-I32 HydrophobicContact CD1-CG1 4.4Å; L28-I32 HydrophobicContact CG-CD1 3.96Å; L28-I32 VanDerWaalsContact O-CG1 3.26Å; L28-I32 WeakPolarHBondContact O-CG1 3.25Å; L28-I32 PolarHBondContact O-N 3.42Å; G29-I32 PolarHBondContact O-N 3.3Å; V30-I32 PolarHBondContact O-N 3.21Å; I32-V34 PolarHBondContact O-N 2.82Å; I32-I35 PolarHBondContact O-N 2.88Å; I32-V36 HydrophobicContact CG2-CG2 4.01Å; I32-V36 WeakPolarHBondContact O-CB 3.43Å; I32-V36 WeakPolarHBondContact O-CG2 3.17Å; I32-V36 PolarHBondContact O-N 3.4Å; I32-L59 HydrophobicContact CB-CD1 4.49Å; I32-L59 HydrophobicContact CG1-CD1 3.57Å |
| 33 | W | 90.3 | Very high | 85.9 | Confident | 170 Ų | 170 | 69 Ų | 69 | 64% | 0.644 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -55 | -51.1 | 177.5 | 179.5 | -88.5 | 0 | 0 | 0 | 111 | G29 V30 I35 V36 D37 | G29-W33 WeakPolarHBondContact O-CB 3.3Å; G29-W33 PolarHBondContact O-N 2.97Å; V30-W33 WeakPolarHBondContact O-CB 3.39Å; V30-W33 PolarHBondContact O-N 3.03Å; W33-I35 VanDerWaalsContact C-N 3.27Å; W33-I35 PolarHBondContact O-N 3.08Å; W33-V36 PolarHBondContact O-N 3.04Å; W33-D37 WeakPolarHBondContact O-CA 3.29Å; W33-D37 WeakPolarHBondContact O-CB 3.38Å; W33-D37 PolarHBondContact O-N 3.44Å |
| 34 | V | 86.6 | Confident | 84.8 | Confident | 25 Ų | 25 | 72.2 Ų | 72.2 | 15% | 0.152 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.2 | -37.6 | 179.5 | 170.3 | 0 | 0 | 0 | 0 | 112.5 | V30 G31 I32 V45 A55 | V30-V34 HydrophobicContact CG1-CG2 4.32Å; V30-V34 VanDerWaalsContact O-CG2 3.31Å; V30-V34 WeakPolarHBondContact O-CG2 3.26Å; V30-V34 PolarHBondContact O-N 3.22Å; G31-V34 PolarHBondContact O-N 3.4Å; I32-V34 PolarHBondContact O-N 2.82Å; V34-V45 HydrophobicContact CG1-CG1 4.36Å; V34-V45 HydrophobicContact CG1-CG2 4.04Å; V34-A55 HydrophobicContact CG1-CB 3.9Å |
| 35 | I | 83.9 | Confident | 83.6 | Confident | 40 Ų | 40 | 72.9 Ų | 72.9 | 21% | 0.205 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -79.8 | -34.5 | -177.3 | -67.3 | 169.3 | 0 | 0 | 0 | 112.2 | G31 I32 W33 R42 Y56 L59 | G31-I35 WeakPolarHBondContact O-CG1 3.4Å; G31-I35 PolarHBondContact O-N 3.07Å; G31-I35 VanDerWaalsContact O-N 3.17Å; I32-I35 PolarHBondContact O-N 2.88Å; W33-I35 VanDerWaalsContact C-N 3.27Å; W33-I35 PolarHBondContact O-N 3.08Å; I35-R42 WeakPolarHBondContact O-CD 3.41Å; I35-Y56 HydrophobicContact CD1-CD1 4.37Å; I35-Y56 HydrophobicContact CD1-CE1 4.26Å; I35-L59 HydrophobicContact CD1-CB 4.31Å; I35-L59 HydrophobicContact CD1-CD1 4.29Å; I35-L59 HydrophobicContact CD1-CD2 3.85Å; I35-L59 HydrophobicContact CD1-CG 4.39Å |
| 36 | V | 85.6 | Confident | 82.3 | Confident | 103 Ų | 103 | 73.6 Ų | 73.6 | 62% | 0.624 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -95.4 | -13.1 | -173.6 | 179.5 | 0 | 0 | 0 | 0 | 112.2 | I32 W33 P38 | I32-V36 HydrophobicContact CG2-CG2 4.01Å; I32-V36 WeakPolarHBondContact O-CB 3.43Å; I32-V36 WeakPolarHBondContact O-CG2 3.17Å; I32-V36 PolarHBondContact O-N 3.4Å; W33-V36 PolarHBondContact O-N 3.04Å; V36-P38 WeakPolarHBondContact O-CD 3.39Å; V36-P38 VanDerWaalsContact O-N 3.14Å |
| 37 | D | 82.6 | Confident | 81.1 | Confident | 11 Ų | 11 | 73 Ų | 73 | 6% | 0.059 | 41% | 0.407 | C | S | . | . | trans | -53.4 | 118.9 | -170.9 | -177.7 | 68.1 | 0 | 0 | 0 | 112.7 | W33 T39 F41 | W33-D37 WeakPolarHBondContact O-CA 3.29Å; W33-D37 WeakPolarHBondContact O-CB 3.38Å; W33-D37 PolarHBondContact O-N 3.44Å; D37-T39 VanDerWaalsContact C-N 3.29Å; D37-T39 VanDerWaalsContact CG-OG1 3.31Å; D37-T39 PolarHBondContact O-N 3.41Å; D37-T39 PolarHBondContact OD1-OG1 3.01Å; D37-T39 WeakPolarHBondContact OD2-CA 3.44Å; D37-T39 WeakPolarHBondContact OD2-CB 3.3Å; D37-T39 PolarHBondContact OD2-N 3.49Å; D37-T39 PolarHBondContact OD2-OG1 3.02Å; D37-F41 HydrophobicContact CB-CB 4.07Å; D37-F41 WeakPolarHBondContact OD2-CB 3.39Å; D37-F41 PolarHBondContact OD2-N 3.01Å | ||
| 38 | P | 61.3 | Low | 79.8 | Confident | 122 Ų | 122 | 73.5 Ų | 73.5 | 79% | 0.792 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -4.5 | -178.4 | 33.1 | -35.2 | 0 | 0 | 0 | 113 | V36 G40 | V36-P38 WeakPolarHBondContact O-CD 3.39Å; V36-P38 VanDerWaalsContact O-N 3.14Å; P38-G40 PolarHBondContact O-N 3.36Å |
| 39 | T | 71.6 | Confident | 78.4 | Confident | 116 Ų | 116 | 74.5 Ų | 74.5 | 71% | 0.712 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 10.2 | -175.9 | 71.7 | 0 | 0 | 0 | 0 | 113.7 | D37 | D37-T39 VanDerWaalsContact C-N 3.29Å; D37-T39 VanDerWaalsContact CG-OG1 3.31Å; D37-T39 PolarHBondContact O-N 3.41Å; D37-T39 PolarHBondContact OD1-OG1 3.01Å; D37-T39 WeakPolarHBondContact OD2-CA 3.44Å; D37-T39 WeakPolarHBondContact OD2-CB 3.3Å; D37-T39 PolarHBondContact OD2-N 3.49Å; D37-T39 PolarHBondContact OD2-OG1 3.02Å |
| 40 | G | 69.6 | Low | 77.3 | Confident | 27 Ų | 27 | 77.4 Ų | 77.4 | 28% | 0.278 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | 0 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P38 R42 E43 I44 | P38-G40 PolarHBondContact O-N 3.36Å; G40-R42 VanDerWaalsContact C-N 3.25Å; G40-R42 PolarHBondContact O-N 3.21Å; G40-E43 WeakPolarHBondContact O-CB 3.49Å; G40-E43 PolarHBondContact O-N 3.04Å; G40-I44 PolarHBondContact O-N 3.3Å |
| 41 | F | 73.7 | Confident | 76.6 | Confident | 104 Ų | 104 | 78.4 Ų | 78.4 | 46% | 0.456 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.9 | -34.9 | 179.3 | -148.7 | -92.7 | 0 | 0 | 0 | 112 | D37 E43 I44 V45 | D37-F41 HydrophobicContact CB-CB 4.07Å; D37-F41 WeakPolarHBondContact OD2-CB 3.39Å; D37-F41 PolarHBondContact OD2-N 3.01Å; F41-E43 VanDerWaalsContact C-N 3.26Å; F41-E43 PolarHBondContact O-N 3.01Å; F41-I44 PolarHBondContact O-N 2.9Å; F41-V45 HydrophobicContact CD1-CG2 3.94Å; F41-V45 HydrophobicContact CE1-CG2 4.08Å; F41-V45 WeakPolarHBondContact O-CG2 3.41Å; F41-V45 PolarHBondContact O-N 3.48Å |
| 42 | R | 76 | Confident | 76.1 | Confident | 130 Ų | 130 | 81.8 Ų | 81.8 | 49% | 0.491 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -56.3 | -39.2 | 170.6 | -177.3 | -173.3 | 177.2 | -108.1 | -2.4 | 112.3 | I35 G40 V45 A46 | I35-R42 WeakPolarHBondContact O-CD 3.41Å; G40-R42 VanDerWaalsContact C-N 3.25Å; G40-R42 PolarHBondContact O-N 3.21Å; R42-V45 PolarHBondContact O-N 3.48Å; R42-A46 WeakPolarHBondContact O-CB 3.29Å; R42-A46 PolarHBondContact O-N 3.3Å |
| 43 | E | 76.1 | Confident | 75.5 | Confident | 147 Ų | 147 | 81.6 Ų | 81.6 | 69% | 0.687 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -71 | -37.8 | -179.9 | -59.8 | -155.8 | 159.6 | 0 | 0 | 111.7 | G40 F41 V45 A46 A47 | G40-E43 WeakPolarHBondContact O-CB 3.49Å; G40-E43 PolarHBondContact O-N 3.04Å; F41-E43 VanDerWaalsContact C-N 3.26Å; F41-E43 PolarHBondContact O-N 3.01Å; E43-V45 VanDerWaalsContact C-N 3.34Å; E43-A46 PolarHBondContact O-N 3.05Å; E43-A47 WeakPolarHBondContact O-CB 3.47Å; E43-A47 PolarHBondContact O-N 3.49Å |
| 44 | I | 72.9 | Confident | 75.3 | Confident | 101 Ų | 101 | 75.1 Ų | 75.1 | 52% | 0.518 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 174.3 | -59.4 | 170.8 | 0 | 0 | 0 | 110.9 | G40 F41 N48 | G40-I44 PolarHBondContact O-N 3.3Å; F41-I44 PolarHBondContact O-N 2.9Å; I44-N48 PolarHBondContact O-ND2 2.97Å; I44-N48 VanDerWaalsContact O-ND2 3.09Å |
| 45 | V | 72.8 | Confident | 75.3 | Confident | 13 Ų | 13 | 74.3 Ų | 74.3 | 8% | 0.079 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -69.2 | -40.6 | 176.9 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | V34 F41 R42 E43 A47 N48 L51 F52 A55 | V34-V45 HydrophobicContact CG1-CG1 4.36Å; V34-V45 HydrophobicContact CG1-CG2 4.04Å; F41-V45 HydrophobicContact CD1-CG2 3.94Å; F41-V45 HydrophobicContact CE1-CG2 4.08Å; F41-V45 WeakPolarHBondContact O-CG2 3.41Å; F41-V45 PolarHBondContact O-N 3.48Å; R42-V45 PolarHBondContact O-N 3.48Å; E43-V45 VanDerWaalsContact C-N 3.34Å; V45-A47 VanDerWaalsContact C-N 3.31Å; V45-A47 PolarHBondContact O-N 2.86Å; V45-N48 CarbonylContact O-C 3.56Å; V45-N48 PolarHBondContact O-N 3.47Å; V45-L51 HydrophobicContact CG1-CB 4.06Å; V45-F52 HydrophobicContact CG1-CB 4.46Å; V45-F52 PolarHBondContact O-N 2.9Å; V45-A55 HydrophobicContact CG1-CB 4.26Å |
| 46 | A | 69.9 | Low | 75.6 | Confident | 51 Ų | 51 | 77.4 Ų | 77.4 | 42% | 0.421 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68.4 | -28.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R42 E43 N48 F52 | R42-A46 WeakPolarHBondContact O-CB 3.29Å; R42-A46 PolarHBondContact O-N 3.3Å; E43-A46 PolarHBondContact O-N 3.05Å; A46-N48 PolarHBondContact O-N 3.29Å; A46-F52 HydrophobicContact CB-CD2 4.12Å; A46-F52 HydrophobicContact CB-CE2 4.41Å |
| 47 | A | 70.8 | Confident | 75.8 | Confident | 75 Ų | 75 | 77.2 Ų | 77.2 | 62% | 0.62 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -18.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E43 V45 | E43-A47 WeakPolarHBondContact O-CB 3.47Å; E43-A47 PolarHBondContact O-N 3.49Å; V45-A47 VanDerWaalsContact C-N 3.31Å; V45-A47 PolarHBondContact O-N 2.86Å |
| 48 | N | 68.2 | Low | 76.2 | Confident | 76 Ų | 76 | 79.5 Ų | 79.5 | 41% | 0.406 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -117.4 | 106.8 | 179.9 | -69.1 | -81.5 | 0 | 0 | 0 | 109.9 | I44 V45 A46 L50 L51 F52 | I44-N48 PolarHBondContact O-ND2 2.97Å; I44-N48 VanDerWaalsContact O-ND2 3.09Å; V45-N48 CarbonylContact O-C 3.56Å; V45-N48 PolarHBondContact O-N 3.47Å; A46-N48 PolarHBondContact O-N 3.29Å; N48-L50 PolarHBondContact O-N 3.35Å; N48-L50 VanDerWaalsContact O-N 3.12Å; N48-L51 HydrophobicContact CB-CB 3.95Å; N48-L51 HydrophobicContact CB-CD1 3.8Å; N48-L51 HydrophobicContact CB-CG 3.79Å; N48-L51 PolarHBondContact O-N 2.9Å; N48-F52 PolarHBondContact O-N 3.24Å |
| 49 | P | 67 | Low | 77.8 | Confident | 57 Ų | 57 | 75.9 Ų | 75.9 | 37% | 0.37 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -57 | -36.5 | -175 | 21.8 | -32.8 | 0 | 0 | 0 | 112.4 | F52 T53 | P49-F52 PolarHBondContact O-N 3.25Å; P49-T53 WeakPolarHBondContact O-CB 3.26Å; P49-T53 PolarHBondContact O-N 2.84Å; P49-T53 PolarHBondContact O-OG1 3.47Å; P49-T53 VanDerWaalsContact O-OG1 3.09Å |
| 50 | L | 70.4 | Confident | 78.8 | Confident | 101 Ų | 101 | 73.3 Ų | 73.3 | 53% | 0.529 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 174.5 | -71.3 | 174.9 | 0 | 0 | 0 | 113.3 | N48 G54 | N48-L50 PolarHBondContact O-N 3.35Å; N48-L50 VanDerWaalsContact O-N 3.12Å; L50-G54 PolarHBondContact O-N 2.88Å |
| 51 | L | 76.7 | Confident | 80 | Confident | 94 Ų | 94 | 76.8 Ų | 76.8 | 49% | 0.492 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70.5 | -39.1 | 179.9 | -63.9 | -177.7 | 0 | 0 | 0 | 110.7 | V45 N48 G54 A55 | V45-L51 HydrophobicContact CG1-CB 4.06Å; N48-L51 HydrophobicContact CB-CB 3.95Å; N48-L51 HydrophobicContact CB-CD1 3.8Å; N48-L51 HydrophobicContact CB-CG 3.79Å; N48-L51 PolarHBondContact O-N 2.9Å; L51-G54 PolarHBondContact O-N 3.46Å; L51-A55 WeakPolarHBondContact O-CB 3.46Å; L51-A55 PolarHBondContact O-N 2.91Å |
| 52 | F | 79.6 | Confident | 81.1 | Confident | 72 Ų | 72 | 71.9 Ų | 71.9 | 32% | 0.316 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.6 | -53.8 | 175.2 | -169.7 | -101.7 | 0 | 0 | 0 | 111 | V45 A46 N48 P49 G54 A55 Y56 | V45-F52 HydrophobicContact CG1-CB 4.46Å; V45-F52 PolarHBondContact O-N 2.9Å; A46-F52 HydrophobicContact CB-CD2 4.12Å; A46-F52 HydrophobicContact CB-CE2 4.41Å; N48-F52 PolarHBondContact O-N 3.24Å; P49-F52 PolarHBondContact O-N 3.25Å; F52-G54 VanDerWaalsContact C-N 3.31Å; F52-G54 PolarHBondContact O-N 3.3Å; F52-A55 PolarHBondContact O-N 3.29Å; F52-Y56 HydrophobicContact CD1-CD2 4.2Å; F52-Y56 HydrophobicContact CD1-CE2 4.02Å; F52-Y56 HydrophobicContact CD2-CE2 4.24Å; F52-Y56 HydrophobicContact CE1-CD2 4.04Å; F52-Y56 AromaticContact CE1-CE2 3.49Å; F52-Y56 HydrophobicContact CE1-CE2 3.49Å; F52-Y56 VanDerWaalsContact CE1-CE2 3.49Å; F52-Y56 AromaticContact CE2-CE2 3.76Å; F52-Y56 HydrophobicContact CE2-CE2 3.76Å; F52-Y56 HydrophobicContact CG-CE2 4.38Å; F52-Y56 HydrophobicContact CZ-CD2 4.32Å; F52-Y56 AromaticContact CZ-CE2 3.37Å; F52-Y56 HydrophobicContact CZ-CE2 3.37Å; F52-Y56 VanDerWaalsContact O-CD2 3.31Å; F52-Y56 WeakPolarHBondContact O-CD2 3.42Å; F52-Y56 PolarHBondContact O-N 3.03Å |
| 53 | T | 80.5 | Confident | 82.1 | Confident | 79 Ų | 79 | 67.3 Ų | 67.3 | 49% | 0.485 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 175.4 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | P49 A55 Y56 I57 | P49-T53 WeakPolarHBondContact O-CB 3.26Å; P49-T53 PolarHBondContact O-N 2.84Å; P49-T53 PolarHBondContact O-OG1 3.47Å; P49-T53 VanDerWaalsContact O-OG1 3.09Å; T53-A55 VanDerWaalsContact C-N 3.34Å; T53-A55 PolarHBondContact O-N 3.47Å; T53-Y56 PolarHBondContact O-N 2.88Å; T53-I57 HydrophobicContact CG2-CD1 3.86Å; T53-I57 HydrophobicContact CG2-CG1 4.38Å; T53-I57 WeakPolarHBondContact O-CG1 3.34Å; T53-I57 PolarHBondContact O-N 3.47Å |
| 54 | G | 85.3 | Confident | 83 | Confident | 34 Ų | 34 | 64 Ų | 64 | 35% | 0.351 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.7 | -40.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | L50 L51 F52 I57 M58 | L50-G54 PolarHBondContact O-N 2.88Å; L51-G54 PolarHBondContact O-N 3.46Å; F52-G54 VanDerWaalsContact C-N 3.31Å; F52-G54 PolarHBondContact O-N 3.3Å; G54-I57 PolarHBondContact O-N 3.05Å; G54-M58 WeakPolarHBondContact O-CB 3.25Å; G54-M58 PolarHBondContact O-N 3.44Å |
| 55 | A | 87.8 | Confident | 84.1 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 7% | 0.066 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V34 V45 L51 F52 T53 M58 L59 | V34-A55 HydrophobicContact CG1-CB 3.9Å; V45-A55 HydrophobicContact CG1-CB 4.26Å; L51-A55 WeakPolarHBondContact O-CB 3.46Å; L51-A55 PolarHBondContact O-N 2.91Å; F52-A55 PolarHBondContact O-N 3.29Å; T53-A55 VanDerWaalsContact C-N 3.34Å; T53-A55 PolarHBondContact O-N 3.47Å; A55-M58 PolarHBondContact O-N 2.85Å; A55-L59 WeakPolarHBondContact O-CB 3.47Å; A55-L59 PolarHBondContact O-N 3.33Å |
| 56 | Y | 88.9 | Confident | 85.3 | Confident | 105 Ų | 105 | 64.2 Ų | 64.2 | 41% | 0.412 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.8 | -37.9 | 175.1 | -78.4 | -81.8 | 0 | 0 | 0 | 112.8 | I35 F52 T53 M58 L59 A60 | I35-Y56 HydrophobicContact CD1-CD1 4.37Å; I35-Y56 HydrophobicContact CD1-CE1 4.26Å; F52-Y56 HydrophobicContact CD1-CD2 4.2Å; F52-Y56 HydrophobicContact CD1-CE2 4.02Å; F52-Y56 HydrophobicContact CD2-CE2 4.24Å; F52-Y56 HydrophobicContact CE1-CD2 4.04Å; F52-Y56 AromaticContact CE1-CE2 3.49Å; F52-Y56 HydrophobicContact CE1-CE2 3.49Å; F52-Y56 VanDerWaalsContact CE1-CE2 3.49Å; F52-Y56 AromaticContact CE2-CE2 3.76Å; F52-Y56 HydrophobicContact CE2-CE2 3.76Å; F52-Y56 HydrophobicContact CG-CE2 4.38Å; F52-Y56 HydrophobicContact CZ-CD2 4.32Å; F52-Y56 AromaticContact CZ-CE2 3.37Å; F52-Y56 HydrophobicContact CZ-CE2 3.37Å; F52-Y56 VanDerWaalsContact O-CD2 3.31Å; F52-Y56 WeakPolarHBondContact O-CD2 3.42Å; F52-Y56 PolarHBondContact O-N 3.03Å; T53-Y56 PolarHBondContact O-N 2.88Å; Y56-M58 VanDerWaalsContact C-N 3.35Å; Y56-L59 WeakPolarHBondContact O-CB 3.44Å; Y56-L59 PolarHBondContact O-N 2.83Å; Y56-A60 WeakPolarHBondContact O-CB 3.35Å; Y56-A60 PolarHBondContact O-N 3.41Å |
| 57 | I | 91.1 | Very high | 86.5 | Confident | 99 Ų | 99 | 66.6 Ų | 66.6 | 51% | 0.508 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 173.5 | -68.8 | 170.9 | 0 | 0 | 0 | 110.1 | T53 G54 L59 A60 M61 | T53-I57 HydrophobicContact CG2-CD1 3.86Å; T53-I57 HydrophobicContact CG2-CG1 4.38Å; T53-I57 WeakPolarHBondContact O-CG1 3.34Å; T53-I57 PolarHBondContact O-N 3.47Å; G54-I57 PolarHBondContact O-N 3.05Å; I57-L59 VanDerWaalsContact C-N 3.31Å; I57-L59 PolarHBondContact O-N 2.83Å; I57-A60 PolarHBondContact O-N 3.34Å; I57-M61 HydrophobicContact CG2-CG 4.1Å; I57-M61 VanDerWaalsContact O-CB 3.31Å; I57-M61 WeakPolarHBondContact O-CB 3.36Å; I57-M61 VanDerWaalsContact O-CG 3.26Å; I57-M61 WeakPolarHBondContact O-CG 3.13Å; I57-M61 PolarHBondContact O-N 2.91Å |
| 58 | M | 90.7 | Very high | 87.7 | Confident | 58 Ų | 58 | 63.8 Ų | 63.8 | 29% | 0.286 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.6 | -43.1 | 176.5 | -174.6 | -176.9 | -172.3 | 0 | 0 | 111.7 | L27 V30 G54 A55 Y56 G62 | L27-M58 HydrophobicContact CD2-CE 3.55Å; L27-M58 HydrophobicContact CD2-CG 4.47Å; V30-M58 HydrophobicContact CB-CE 3.68Å; V30-M58 HydrophobicContact CG1-CE 3.53Å; V30-M58 HydrophobicContact CG1-SD 4.19Å; G54-M58 WeakPolarHBondContact O-CB 3.25Å; G54-M58 PolarHBondContact O-N 3.44Å; A55-M58 PolarHBondContact O-N 2.85Å; Y56-M58 VanDerWaalsContact C-N 3.35Å; M58-G62 PolarHBondContact O-N 2.92Å |
| 59 | L | 93.6 | Very high | 89 | Confident | 46 Ų | 46 | 60.1 Ų | 60.1 | 24% | 0.241 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.7 | -49.8 | 175.9 | -171.1 | 81.9 | 0 | 0 | 0 | 111.7 | L28 I32 I35 A55 Y56 I57 G62 A63 | L28-L59 HydrophobicContact CD1-CD1 3.68Å; L28-L59 HydrophobicContact CD1-CG 4.16Å; I32-L59 HydrophobicContact CB-CD1 4.49Å; I32-L59 HydrophobicContact CG1-CD1 3.57Å; I35-L59 HydrophobicContact CD1-CB 4.31Å; I35-L59 HydrophobicContact CD1-CD1 4.29Å; I35-L59 HydrophobicContact CD1-CD2 3.85Å; I35-L59 HydrophobicContact CD1-CG 4.39Å; A55-L59 WeakPolarHBondContact O-CB 3.47Å; A55-L59 PolarHBondContact O-N 3.33Å; Y56-L59 WeakPolarHBondContact O-CB 3.44Å; Y56-L59 PolarHBondContact O-N 2.83Å; I57-L59 VanDerWaalsContact C-N 3.31Å; I57-L59 PolarHBondContact O-N 2.83Å; L59-G62 PolarHBondContact O-N 3.37Å; L59-A63 WeakPolarHBondContact O-CB 3.48Å; L59-A63 PolarHBondContact O-N 2.79Å |
| 60 | A | 94.3 | Very high | 90.3 | Very high | 62 Ų | 62 | 61.9 Ų | 61.9 | 51% | 0.512 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.4 | -47.6 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y56 I57 A63 M64 | Y56-A60 WeakPolarHBondContact O-CB 3.35Å; Y56-A60 PolarHBondContact O-N 3.41Å; I57-A60 PolarHBondContact O-N 3.34Å; A60-A63 PolarHBondContact O-N 3.47Å; A60-M64 WeakPolarHBondContact O-CB 3.29Å; A60-M64 PolarHBondContact O-N 3.32Å |
| 61 | M | 94.5 | Very high | 91.4 | Very high | 101 Ų | 101 | 58.2 Ų | 58.2 | 50% | 0.498 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 175.9 | -71.9 | -69.1 | -67.9 | 0 | 0 | 111.4 | I57 A63 M64 L65 | I57-M61 HydrophobicContact CG2-CG 4.1Å; I57-M61 VanDerWaalsContact O-CB 3.31Å; I57-M61 WeakPolarHBondContact O-CB 3.36Å; I57-M61 VanDerWaalsContact O-CG 3.26Å; I57-M61 WeakPolarHBondContact O-CG 3.13Å; I57-M61 PolarHBondContact O-N 2.91Å; M61-A63 PolarHBondContact O-N 3.43Å; M61-M64 PolarHBondContact O-N 2.92Å; M61-L65 WeakPolarHBondContact O-CB 3.47Å; M61-L65 VanDerWaalsContact O-CG 3.29Å; M61-L65 WeakPolarHBondContact O-CG 3.29Å; M61-L65 PolarHBondContact O-N 3.45Å |
| 62 | G | 96.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | M58 L59 L65 F66 | M58-G62 PolarHBondContact O-N 2.92Å; L59-G62 PolarHBondContact O-N 3.37Å; G62-L65 PolarHBondContact O-N 2.88Å; G62-F66 VanDerWaalsContact O-CB 3.27Å; G62-F66 WeakPolarHBondContact O-CB 3.46Å; G62-F66 PolarHBondContact O-N 3.48Å |
| 63 | A | 96.3 | Very high | 92.9 | Very high | 34 Ų | 34 | 50.9 Ų | 50.9 | 28% | 0.281 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L28 L59 A60 M61 F66 L67 | L28-A63 HydrophobicContact CD1-CB 3.97Å; L59-A63 WeakPolarHBondContact O-CB 3.48Å; L59-A63 PolarHBondContact O-N 2.79Å; A60-A63 PolarHBondContact O-N 3.47Å; M61-A63 PolarHBondContact O-N 3.43Å; A63-F66 PolarHBondContact O-N 2.92Å; A63-L67 WeakPolarHBondContact O-CG 3.41Å; A63-L67 PolarHBondContact O-N 3.37Å |
| 64 | M | 95.6 | Very high | 93.4 | Very high | 78 Ų | 78 | 48.1 Ų | 48.1 | 38% | 0.384 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.5 | -48 | 178.1 | -173.9 | -179.7 | 174.3 | 0 | 0 | 111.8 | A60 M61 F66 L67 L68 I94 | A60-M64 WeakPolarHBondContact O-CB 3.29Å; A60-M64 PolarHBondContact O-N 3.32Å; M61-M64 PolarHBondContact O-N 2.92Å; M64-F66 VanDerWaalsContact C-N 3.35Å; M64-F66 PolarHBondContact O-N 2.91Å; M64-L67 PolarHBondContact O-N 3.5Å; M64-L68 HydrophobicContact CE-CD1 4.38Å; M64-L68 HydrophobicContact CG-CD1 4.18Å; M64-L68 WeakPolarHBondContact O-CB 3.48Å; M64-L68 VanDerWaalsContact O-CG 3.31Å; M64-L68 WeakPolarHBondContact O-CG 3.28Å; M64-L68 PolarHBondContact O-N 2.89Å; M64-I94 HydrophobicContact CE-CD1 3.2Å; M64-I94 HydrophobicContact CE-CG1 3.35Å |
| 65 | L | 95.9 | Very high | 93.7 | Very high | 54 Ų | 54 | 46.5 Ų | 46.5 | 28% | 0.283 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.7 | -40.4 | 176.4 | -68.7 | 174 | 0 | 0 | 0 | 112.1 | I20 L27 M61 G62 L68 G69 | I20-L65 HydrophobicContact CG2-CB 4.26Å; I20-L65 HydrophobicContact CG2-CD2 4.11Å; L27-L65 HydrophobicContact CD1-CD1 3.93Å; M61-L65 WeakPolarHBondContact O-CB 3.47Å; M61-L65 VanDerWaalsContact O-CG 3.29Å; M61-L65 WeakPolarHBondContact O-CG 3.29Å; M61-L65 PolarHBondContact O-N 3.45Å; G62-L65 PolarHBondContact O-N 2.88Å; L65-L68 PolarHBondContact O-N 3.38Å; L65-G69 PolarHBondContact O-N 3.37Å |
| 66 | F | 96.9 | Very high | 93.8 | Very high | 64 Ų | 64 | 46.2 Ų | 46.2 | 28% | 0.281 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.1 | -48.3 | 174.7 | 176.8 | -90.8 | 0 | 0 | 0 | 111.4 | F21 A25 G62 A63 M64 F70 | F21-F66 AromaticContact CD2-CD2 3.81Å; F21-F66 HydrophobicContact CD2-CD2 3.81Å; F21-F66 AromaticContact CD2-CE2 3.91Å; F21-F66 HydrophobicContact CD2-CE2 3.91Å; F21-F66 HydrophobicContact CD2-CG 4.36Å; F21-F66 HydrophobicContact CD2-CZ 4.49Å; F21-F66 HydrophobicContact CE1-CE2 4.5Å; F21-F66 AromaticContact CE2-CD2 3.46Å; F21-F66 HydrophobicContact CE2-CD2 3.46Å; F21-F66 VanDerWaalsContact CE2-CD2 3.46Å; F21-F66 HydrophobicContact CE2-CE1 4.19Å; F21-F66 AromaticContact CE2-CE2 3.07Å; F21-F66 HydrophobicContact CE2-CE2 3.07Å; F21-F66 HydrophobicContact CE2-CG 4.2Å; F21-F66 AromaticContact CE2-CZ 3.48Å; F21-F66 HydrophobicContact CE2-CZ 3.48Å; F21-F66 VanDerWaalsContact CE2-CZ 3.48Å; F21-F66 HydrophobicContact CZ-CD2 4.12Å; F21-F66 AromaticContact CZ-CE2 3.44Å; F21-F66 HydrophobicContact CZ-CE2 3.44Å; F21-F66 VanDerWaalsContact CZ-CE2 3.44Å; F21-F66 AromaticContact CZ-CZ 3.97Å; F21-F66 HydrophobicContact CZ-CZ 3.97Å; A25-F66 HydrophobicContact CB-CD2 3.89Å; A25-F66 HydrophobicContact CB-CE2 4.2Å; G62-F66 VanDerWaalsContact O-CB 3.27Å; G62-F66 WeakPolarHBondContact O-CB 3.46Å; G62-F66 PolarHBondContact O-N 3.48Å; A63-F66 PolarHBondContact O-N 2.92Å; M64-F66 VanDerWaalsContact C-N 3.35Å; M64-F66 PolarHBondContact O-N 2.91Å; F66-F70 VanDerWaalsContact O-CB 3.29Å; F66-F70 WeakPolarHBondContact O-CB 3.38Å; F66-F70 PolarHBondContact O-N 2.85Å |
| 67 | L | 96.1 | Very high | 93.8 | Very high | 101 Ų | 101 | 45.6 Ų | 45.6 | 53% | 0.529 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.4 | -46.5 | 178.7 | -73.3 | 171.9 | 0 | 0 | 0 | 112 | A63 M64 F70 L71 | A63-L67 WeakPolarHBondContact O-CG 3.41Å; A63-L67 PolarHBondContact O-N 3.37Å; M64-L67 PolarHBondContact O-N 3.5Å; L67-F70 PolarHBondContact O-N 2.94Å; L67-L71 WeakPolarHBondContact O-CB 3.35Å; L67-L71 VanDerWaalsContact O-CG 3.28Å; L67-L71 WeakPolarHBondContact O-CG 3.48Å; L67-L71 PolarHBondContact O-N 3.42Å |
| 68 | L | 95.6 | Very high | 93.7 | Very high | 16 Ų | 16 | 49.5 Ų | 49.5 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.4 | -48.9 | 177.2 | -73.3 | 172.5 | 0 | 0 | 0 | 111.6 | M64 L65 F70 L71 G72 F90 I91 I94 | M64-L68 HydrophobicContact CE-CD1 4.38Å; M64-L68 HydrophobicContact CG-CD1 4.18Å; M64-L68 WeakPolarHBondContact O-CB 3.48Å; M64-L68 VanDerWaalsContact O-CG 3.31Å; M64-L68 WeakPolarHBondContact O-CG 3.28Å; M64-L68 PolarHBondContact O-N 2.89Å; L65-L68 PolarHBondContact O-N 3.38Å; L68-F70 VanDerWaalsContact C-N 3.34Å; L68-F70 PolarHBondContact O-N 3.26Å; L68-L71 PolarHBondContact O-N 3.13Å; L68-G72 PolarHBondContact O-N 2.95Å; L68-F90 HydrophobicContact CD2-CB 3.61Å; L68-F90 HydrophobicContact CD2-CG 4.34Å; L68-I91 HydrophobicContact CD1-CD1 4.36Å; L68-I91 HydrophobicContact CD2-CD1 3.99Å; L68-I94 HydrophobicContact CD1-CD1 3.7Å; L68-I94 HydrophobicContact CD2-CD1 4.32Å |
| 69 | G | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N17 L65 C73 | N17-G69 WeakPolarHBondContact O-CA 3.3Å; L65-G69 PolarHBondContact O-N 3.37Å; G69-C73 VanDerWaalsContact O-CB 3.25Å; G69-C73 WeakPolarHBondContact O-CB 3.47Å; G69-C73 PolarHBondContact O-N 2.95Å; G69-C73 PolarHBondContact O-SG 3.3Å |
| 70 | F | 94.4 | Very high | 93.5 | Very high | 93 Ų | 93 | 52.4 Ų | 52.4 | 41% | 0.408 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.1 | -49.3 | 175.9 | 177.7 | -99.6 | 0 | 0 | 0 | 112.1 | F21 F66 L67 L68 G72 C73 C74 | F21-F70 HydrophobicContact CD2-CB 4.01Å; F21-F70 HydrophobicContact CE2-CB 4.1Å; F21-F70 HydrophobicContact CE2-CD2 4.33Å; F66-F70 VanDerWaalsContact O-CB 3.29Å; F66-F70 WeakPolarHBondContact O-CB 3.38Å; F66-F70 PolarHBondContact O-N 2.85Å; L67-F70 PolarHBondContact O-N 2.94Å; L68-F70 VanDerWaalsContact C-N 3.34Å; L68-F70 PolarHBondContact O-N 3.26Å; F70-G72 PolarHBondContact O-N 3.45Å; F70-C73 PolarHBondContact O-N 3.48Å; F70-C74 WeakPolarHBondContact CE2-SG 3.04Å; F70-C74 VanDerWaalsContact O-CB 3.3Å; F70-C74 WeakPolarHBondContact O-CB 3.39Å; F70-C74 PolarHBondContact O-N 3.33Å |
| 71 | L | 94.3 | Very high | 93.4 | Very high | 25 Ų | 25 | 52.7 Ų | 52.7 | 13% | 0.131 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 178.6 | -69.3 | 175.3 | 0 | 0 | 0 | 111.6 | L67 L68 G75 L83 F86 F87 F90 | L67-L71 WeakPolarHBondContact O-CB 3.35Å; L67-L71 VanDerWaalsContact O-CG 3.28Å; L67-L71 WeakPolarHBondContact O-CG 3.48Å; L67-L71 PolarHBondContact O-N 3.42Å; L68-L71 PolarHBondContact O-N 3.13Å; L71-G75 WeakPolarHBondContact O-CA 3.43Å; L71-G75 PolarHBondContact O-N 3.45Å; L71-L83 HydrophobicContact CD2-CD2 3.67Å; L71-F86 HydrophobicContact CD1-CB 4.46Å; L71-F87 HydrophobicContact CB-CB 4.19Å; L71-F87 HydrophobicContact CB-CD2 4.48Å; L71-F90 HydrophobicContact CD1-CD2 3.81Å; L71-F90 HydrophobicContact CD1-CE2 3.9Å |
| 72 | G | 93.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L68 F70 A76 | L68-G72 PolarHBondContact O-N 2.95Å; F70-G72 PolarHBondContact O-N 3.45Å; G72-A76 VanDerWaalsContact O-CB 3.3Å; G72-A76 WeakPolarHBondContact O-CB 3.45Å; G72-A76 PolarHBondContact O-N 3.44Å |
| 73 | C | 93.3 | Very high | 93.2 | Very high | 11 Ų | 11 | 53.4 Ų | 53.4 | 7% | 0.074 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.8 | -52.9 | 177.9 | -73 | 0 | 0 | 0 | 0 | 112.5 | F14 F18 G69 F70 A76 I77 | F14-C73 HydrophobicContact CD2-CB 3.86Å; F14-C73 HydrophobicContact CE2-CB 3.86Å; F18-C73 WeakPolarHBondContact CA-SG 3.43Å; F18-C73 PolarHBondContact N-SG 3.42Å; G69-C73 VanDerWaalsContact O-CB 3.25Å; G69-C73 WeakPolarHBondContact O-CB 3.47Å; G69-C73 PolarHBondContact O-N 2.95Å; G69-C73 PolarHBondContact O-SG 3.3Å; F70-C73 PolarHBondContact O-N 3.48Å; C73-A76 PolarHBondContact O-N 2.91Å; C73-I77 PolarHBondContact O-N 2.91Å |
| 74 | C | 92.2 | Very high | 93 | Very high | 21 Ų | 21 | 51.9 Ų | 51.9 | 14% | 0.142 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.4 | -37 | -178.2 | -72.2 | 0 | 0 | 0 | 0 | 111.8 | F70 R78 L83 | F70-C74 WeakPolarHBondContact CE2-SG 3.04Å; F70-C74 VanDerWaalsContact O-CB 3.3Å; F70-C74 WeakPolarHBondContact O-CB 3.39Å; F70-C74 PolarHBondContact O-N 3.33Å; C74-R78 WeakPolarHBondContact O-CB 3.39Å; C74-R78 WeakPolarHBondContact O-CG 3.32Å; C74-R78 PolarHBondContact O-N 3.27Å; C74-L83 HydrophobicContact CB-CD1 4.08Å |
| 75 | G | 90.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60 | -46.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | L71 E79 N80 L84 | L71-G75 WeakPolarHBondContact O-CA 3.43Å; L71-G75 PolarHBondContact O-N 3.45Å; G75-E79 PolarHBondContact O-N 2.91Å; G75-N80 PolarHBondContact O-N 3.05Å; G75-L84 WeakPolarHBondContact O-CD1 3.36Å |
| 76 | A | 90.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 3% | 0.025 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.6 | -47.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | K10 M13 F14 G72 C73 | K10-A76 WeakPolarHBondContact CE-O 3.39Å; M13-A76 HydrophobicContact CG-CB 4.41Å; F14-A76 HydrophobicContact CB-CB 4.45Å; G72-A76 VanDerWaalsContact O-CB 3.3Å; G72-A76 WeakPolarHBondContact O-CB 3.45Å; G72-A76 PolarHBondContact O-N 3.44Å; C73-A76 PolarHBondContact O-N 2.91Å |
| 77 | I | 89.2 | Confident | 92.8 | Very high | 92 Ų | 92 | 52.5 Ų | 52.5 | 47% | 0.472 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -72.6 | -47.5 | -177.4 | -72.1 | -179.2 | 0 | 0 | 0 | 112.2 | F14 C73 E79 | F14-I77 HydrophobicContact CD1-CD1 4.3Å; F14-I77 HydrophobicContact CD2-CD1 3.29Å; F14-I77 HydrophobicContact CD2-CG1 3.59Å; F14-I77 HydrophobicContact CE1-CD1 4.12Å; F14-I77 HydrophobicContact CE2-CD1 3.1Å; F14-I77 HydrophobicContact CE2-CG1 3.96Å; F14-I77 HydrophobicContact CG-CD1 3.92Å; F14-I77 HydrophobicContact CG-CG1 4.04Å; F14-I77 HydrophobicContact CZ-CD1 3.54Å; C73-I77 PolarHBondContact O-N 2.91Å; I77-E79 PolarHBondContact O-N 2.93Å |
| 78 | R | 88.8 | Confident | 92.8 | Very high | 181 Ų | 181 | 49.6 Ų | 49.6 | 68% | 0.683 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -2.5 | -175.3 | -60.1 | -173.4 | 172.1 | -169.7 | -1.3 | 112.8 | C74 N80 | C74-R78 WeakPolarHBondContact O-CB 3.39Å; C74-R78 WeakPolarHBondContact O-CG 3.32Å; C74-R78 PolarHBondContact O-N 3.27Å; R78-N80 HydrophobicContact CB-CB 4.35Å; R78-N80 PolarHBondContact O-N 3Å; R78-N80 VanDerWaalsContact O-N 3.07Å |
| 79 | E | 88.6 | Confident | 92.9 | Very high | 100 Ų | 100 | 53.7 Ų | 53.7 | 47% | 0.467 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 37.3 | -177.8 | -69 | 176.1 | -179.5 | 0 | 0 | 111.5 | K10 G75 I77 K81 I246 | K10-E79 IonicContact NZ-OE1 2.89Å; K10-E79 PolarHBondContact NZ-OE1 2.97Å; G75-E79 PolarHBondContact O-N 2.91Å; I77-E79 PolarHBondContact O-N 2.93Å; E79-K81 PolarHBondContact O-N 3.36Å; E79-I246 HydrophobicContact CB-CD1 3.98Å; E79-I246 HydrophobicContact CB-CG1 3.93Å; E79-I246 HydrophobicContact CB-CG2 4.19Å; E79-I246 HydrophobicContact CG-CD1 4.43Å; E79-I246 HydrophobicContact CG-CG1 4.19Å; E79-I246 WeakPolarHBondContact O-CG2 3.41Å |
| 80 | N | 91.8 | Very high | 92.9 | Very high | 64 Ų | 64 | 58.5 Ų | 58.5 | 34% | 0.342 | 28% | 0.281 | S | S | . | . | trans | -92.9 | 106.2 | -176.4 | -175.7 | -29.4 | 0 | 0 | 0 | 109.5 | G75 R78 C82 L83 L84 | G75-N80 PolarHBondContact O-N 3.05Å; R78-N80 HydrophobicContact CB-CB 4.35Å; R78-N80 PolarHBondContact O-N 3Å; R78-N80 VanDerWaalsContact O-N 3.07Å; N80-C82 PolarHBondContact O-N 3.36Å; N80-C82 WeakPolarHBondContact OD1-CB 3.44Å; N80-C82 PolarHBondContact OD1-N 3.05Å; N80-L83 HydrophobicContact CB-CB 4.15Å; N80-L83 HydrophobicContact CB-CD1 3.89Å; N80-L83 HydrophobicContact CB-CG 4.17Å; N80-L83 PolarHBondContact O-N 2.84Å; N80-L83 VanDerWaalsContact O-N 3.08Å; N80-L83 PolarHBondContact OD1-N 3.26Å; N80-L84 PolarHBondContact O-N 2.9Å | ||
| 81 | K | 91.8 | Very high | 93 | Very high | 68 Ų | 68 | 54.8 Ų | 54.8 | 30% | 0.296 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -50.5 | -41.1 | 178 | -72.9 | 179 | 177.5 | 166.1 | 0 | 113 | E79 L85 F243 I246 Q247 | E79-K81 PolarHBondContact O-N 3.36Å; K81-L85 WeakPolarHBondContact O-CB 3.46Å; K81-L85 PolarHBondContact O-N 3.28Å; K81-F243 HydrophobicContact CB-CD2 3.93Å; K81-F243 HydrophobicContact CB-CE2 3.59Å; K81-F243 HydrophobicContact CB-CZ 4.33Å; K81-F243 HydrophobicContact CG-CD2 4.14Å; K81-F243 HydrophobicContact CG-CE2 4.08Å; K81-F243 WeakPolarHBondContact O-CD2 3.39Å; K81-F243 WeakPolarHBondContact O-CE2 3.26Å; K81-I246 HydrophobicContact CD-CG2 4.47Å; K81-I246 WeakPolarHBondContact CE-O 3.3Å; K81-I246 HydrophobicContact CG-CB 4.34Å; K81-I246 HydrophobicContact CG-CD1 4.47Å; K81-I246 HydrophobicContact CG-CG2 4.18Å; K81-I246 PolarHBondContact NZ-O 3.02Å; K81-Q247 PolarHBondContact NZ-OXT 3.15Å |
| 82 | C | 93 | Very high | 93.1 | Very high | 81 Ų | 81 | 56.1 Ų | 56.1 | 55% | 0.547 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 179.7 | -61.9 | 0 | 0 | 0 | 0 | 111.8 | N80 L85 F86 | N80-C82 PolarHBondContact O-N 3.36Å; N80-C82 WeakPolarHBondContact OD1-CB 3.44Å; N80-C82 PolarHBondContact OD1-N 3.05Å; C82-L85 PolarHBondContact O-N 3.49Å; C82-F86 WeakPolarHBondContact O-CD2 3.34Å; C82-F86 PolarHBondContact O-N 3.47Å |
| 83 | L | 93.7 | Very high | 93.3 | Very high | 35 Ų | 35 | 61.7 Ų | 61.7 | 18% | 0.183 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 178 | -73.1 | 172.2 | 0 | 0 | 0 | 111.8 | L71 C74 N80 L85 F86 F87 | L71-L83 HydrophobicContact CD2-CD2 3.67Å; C74-L83 HydrophobicContact CB-CD1 4.08Å; N80-L83 HydrophobicContact CB-CB 4.15Å; N80-L83 HydrophobicContact CB-CD1 3.89Å; N80-L83 HydrophobicContact CB-CG 4.17Å; N80-L83 PolarHBondContact O-N 2.84Å; N80-L83 VanDerWaalsContact O-N 3.08Å; N80-L83 PolarHBondContact OD1-N 3.26Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L83-F86 PolarHBondContact O-N 3.5Å; L83-F87 WeakPolarHBondContact O-CB 3.41Å; L83-F87 PolarHBondContact O-N 2.85Å |
| 84 | L | 93 | Very high | 93.4 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 172.8 | -87.4 | 150.6 | 0 | 0 | 0 | 112.2 | M13 G75 N80 F87 F88 A239 L242 F243 I246 | M13-L84 HydrophobicContact CE-CD2 3.79Å; M13-L84 HydrophobicContact SD-CD2 4.28Å; G75-L84 WeakPolarHBondContact O-CD1 3.36Å; N80-L84 PolarHBondContact O-N 2.9Å; L84-F87 PolarHBondContact O-N 3.48Å; L84-F88 WeakPolarHBondContact O-CB 3.49Å; L84-F88 PolarHBondContact O-N 2.92Å; L84-A239 HydrophobicContact CD2-CB 4.2Å; L84-L242 HydrophobicContact CD1-CB 4.44Å; L84-L242 HydrophobicContact CD2-CB 4.2Å; L84-F243 HydrophobicContact CB-CD2 4.46Å; L84-I246 HydrophobicContact CD1-CD1 3.36Å |
| 85 | L | 94.1 | Very high | 93.6 | Very high | 80 Ų | 80 | 63.6 Ų | 63.6 | 42% | 0.419 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 176.4 | -173.9 | 68.3 | 0 | 0 | 0 | 111.5 | K81 C82 L83 F88 M89 F243 | K81-L85 WeakPolarHBondContact O-CB 3.46Å; K81-L85 PolarHBondContact O-N 3.28Å; C82-L85 PolarHBondContact O-N 3.49Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L85-F88 PolarHBondContact O-N 3.31Å; L85-M89 HydrophobicContact CG-CG 4.49Å; L85-M89 WeakPolarHBondContact O-CB 3.31Å; L85-M89 VanDerWaalsContact O-CG 3.28Å; L85-M89 WeakPolarHBondContact O-CG 3.43Å; L85-M89 PolarHBondContact O-N 3.49Å; L85-F243 HydrophobicContact CB-CE2 4.29Å |
| 86 | F | 95.2 | Very high | 93.9 | Very high | 125 Ų | 125 | 68.1 Ų | 68.1 | 55% | 0.548 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 174.6 | -80.6 | -65.4 | 0 | 0 | 0 | 111.5 | L71 C82 L83 F88 M89 F90 | L71-F86 HydrophobicContact CD1-CB 4.46Å; C82-F86 WeakPolarHBondContact O-CD2 3.34Å; C82-F86 PolarHBondContact O-N 3.47Å; L83-F86 PolarHBondContact O-N 3.5Å; F86-F88 VanDerWaalsContact C-N 3.33Å; F86-F88 PolarHBondContact O-N 2.98Å; F86-M89 PolarHBondContact O-N 3.39Å; F86-F90 WeakPolarHBondContact O-CD2 3.27Å; F86-F90 PolarHBondContact O-N 2.98Å |
| 87 | F | 95.3 | Very high | 94.2 | Very high | 4 Ų | 4 | 70.3 Ų | 70.3 | 2% | 0.018 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -54.4 | -49.7 | 174.7 | 174.3 | -100.6 | 0 | 0 | 0 | 111.4 | M13 N17 L71 L83 L84 M89 F90 I91 A235 A239 | M13-F87 HydrophobicContact CE-CD1 3.63Å; M13-F87 HydrophobicContact CE-CE1 3.56Å; M13-F87 HydrophobicContact CE-CG 4.35Å; M13-F87 HydrophobicContact CE-CZ 4.22Å; N17-F87 VanDerWaalsContact OD1-CE2 3.29Å; N17-F87 WeakPolarHBondContact OD1-CE2 3.24Å; L71-F87 HydrophobicContact CB-CB 4.19Å; L71-F87 HydrophobicContact CB-CD2 4.48Å; L83-F87 WeakPolarHBondContact O-CB 3.41Å; L83-F87 PolarHBondContact O-N 2.85Å; L84-F87 PolarHBondContact O-N 3.48Å; F87-M89 PolarHBondContact O-N 2.85Å; F87-F90 PolarHBondContact O-N 2.87Å; F87-I91 HydrophobicContact CD2-CG1 4.41Å; F87-I91 HydrophobicContact CE1-CG1 4.15Å; F87-I91 HydrophobicContact CE2-CD1 4.18Å; F87-I91 HydrophobicContact CE2-CG1 4Å; F87-I91 HydrophobicContact CZ-CD1 4.24Å; F87-I91 HydrophobicContact CZ-CG1 3.86Å; F87-I91 WeakPolarHBondContact O-CG1 3.31Å; F87-I91 PolarHBondContact O-N 3.47Å; F87-A235 HydrophobicContact CE1-CB 4.34Å; F87-A235 HydrophobicContact CZ-CB 4.28Å; F87-A239 HydrophobicContact CD1-CB 3.95Å; F87-A239 HydrophobicContact CE1-CB 4.19Å |
| 88 | F | 95.9 | Very high | 94.4 | Very high | 40 Ų | 40 | 69 Ų | 69 | 18% | 0.175 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58 | -46.8 | 176.5 | 174.9 | -90.4 | 0 | 0 | 0 | 112.5 | L84 L85 F86 F90 I91 L92 M236 A239 M240 | L84-F88 WeakPolarHBondContact O-CB 3.49Å; L84-F88 PolarHBondContact O-N 2.92Å; L85-F88 PolarHBondContact O-N 3.31Å; F86-F88 VanDerWaalsContact C-N 3.33Å; F86-F88 PolarHBondContact O-N 2.98Å; F88-F90 VanDerWaalsContact C-N 3.34Å; F88-F90 PolarHBondContact O-N 3.4Å; F88-I91 PolarHBondContact O-N 3.29Å; F88-L92 HydrophobicContact CE1-CD2 4.02Å; F88-L92 HydrophobicContact CZ-CD2 4.48Å; F88-L92 WeakPolarHBondContact O-CB 3.39Å; F88-L92 PolarHBondContact O-N 3.48Å; F88-M236 HydrophobicContact CD2-CB 3.96Å; F88-M236 HydrophobicContact CD2-CG 3.91Å; F88-M236 HydrophobicContact CE2-CB 3.76Å; F88-M236 HydrophobicContact CE2-CG 3.87Å; F88-M236 HydrophobicContact CE2-SD 4.16Å; F88-A239 HydrophobicContact CB-CB 4.4Å; F88-M240 HydrophobicContact CD2-CG 3.73Å; F88-M240 HydrophobicContact CD2-SD 4.11Å; F88-M240 HydrophobicContact CE2-CG 3.59Å; F88-M240 HydrophobicContact CE2-SD 4.14Å; F88-M240 HydrophobicContact CG-SD 4.37Å; F88-M240 HydrophobicContact CZ-CG 4.32Å; F88-M240 HydrophobicContact CZ-SD 4.45Å |
| 89 | M | 96.6 | Very high | 94.7 | Very high | 102 Ų | 102 | 64 Ų | 64 | 50% | 0.502 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | -179.4 | -71.8 | -59.3 | -62.9 | 0 | 0 | 112.4 | L85 F86 F87 L93 | L85-M89 HydrophobicContact CG-CG 4.49Å; L85-M89 WeakPolarHBondContact O-CB 3.31Å; L85-M89 VanDerWaalsContact O-CG 3.28Å; L85-M89 WeakPolarHBondContact O-CG 3.43Å; L85-M89 PolarHBondContact O-N 3.49Å; F86-M89 PolarHBondContact O-N 3.39Å; F87-M89 PolarHBondContact O-N 2.85Å; M89-L93 WeakPolarHBondContact O-CB 3.26Å; M89-L93 PolarHBondContact O-N 3.29Å |
| 90 | F | 95.7 | Very high | 95 | Very high | 102 Ų | 102 | 62.1 Ų | 62.1 | 45% | 0.447 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66 | -48.4 | 175 | -81.8 | -70.3 | 0 | 0 | 0 | 111.7 | L68 L71 F86 F87 F88 L92 L93 I94 | L68-F90 HydrophobicContact CD2-CB 3.61Å; L68-F90 HydrophobicContact CD2-CG 4.34Å; L71-F90 HydrophobicContact CD1-CD2 3.81Å; L71-F90 HydrophobicContact CD1-CE2 3.9Å; F86-F90 WeakPolarHBondContact O-CD2 3.27Å; F86-F90 PolarHBondContact O-N 2.98Å; F87-F90 PolarHBondContact O-N 2.87Å; F88-F90 VanDerWaalsContact C-N 3.34Å; F88-F90 PolarHBondContact O-N 3.4Å; F90-L92 VanDerWaalsContact C-N 3.3Å; F90-L92 PolarHBondContact O-N 3.04Å; F90-L93 PolarHBondContact O-N 3.16Å; F90-L93 VanDerWaalsContact O-N 3.16Å; F90-I94 VanDerWaalsContact O-CG1 3.26Å; F90-I94 WeakPolarHBondContact O-CG1 3.17Å; F90-I94 PolarHBondContact O-N 3.34Å |
| 91 | I | 96.2 | Very high | 95 | Very high | 15 Ų | 15 | 61.7 Ų | 61.7 | 8% | 0.077 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 177.6 | -61.4 | -62.8 | 0 | 0 | 0 | 111.1 | L68 F87 F88 L93 I94 F95 E232 M236 | L68-I91 HydrophobicContact CD1-CD1 4.36Å; L68-I91 HydrophobicContact CD2-CD1 3.99Å; F87-I91 HydrophobicContact CD2-CG1 4.41Å; F87-I91 HydrophobicContact CE1-CG1 4.15Å; F87-I91 HydrophobicContact CE2-CD1 4.18Å; F87-I91 HydrophobicContact CE2-CG1 4Å; F87-I91 HydrophobicContact CZ-CD1 4.24Å; F87-I91 HydrophobicContact CZ-CG1 3.86Å; F87-I91 WeakPolarHBondContact O-CG1 3.31Å; F87-I91 PolarHBondContact O-N 3.47Å; F88-I91 PolarHBondContact O-N 3.29Å; I91-L93 VanDerWaalsContact C-N 3.32Å; I91-L93 PolarHBondContact O-N 3.19Å; I91-I94 HydrophobicContact CD1-CD1 4.34Å; I91-I94 PolarHBondContact O-N 3.23Å; I91-F95 WeakPolarHBondContact O-CB 3.11Å; I91-F95 PolarHBondContact O-N 3.16Å; I91-E232 HydrophobicContact CG2-CB 3.81Å; I91-E232 HydrophobicContact CG2-CG 4.11Å; I91-M236 HydrophobicContact CB-CG 4.18Å; I91-M236 HydrophobicContact CG2-CE 4.5Å; I91-M236 HydrophobicContact CG2-CG 3.65Å; I91-M236 HydrophobicContact CG2-SD 4.26Å |
| 92 | L | 96.8 | Very high | 95 | Very high | 53 Ų | 53 | 61.1 Ų | 61.1 | 28% | 0.277 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 175.8 | 179.8 | 64.2 | 0 | 0 | 0 | 112 | F88 F90 I94 F95 L96 M236 | F88-L92 HydrophobicContact CE1-CD2 4.02Å; F88-L92 HydrophobicContact CZ-CD2 4.48Å; F88-L92 WeakPolarHBondContact O-CB 3.39Å; F88-L92 PolarHBondContact O-N 3.48Å; F90-L92 VanDerWaalsContact C-N 3.3Å; F90-L92 PolarHBondContact O-N 3.04Å; L92-I94 VanDerWaalsContact C-N 3.34Å; L92-F95 PolarHBondContact O-N 3.41Å; L92-L96 HydrophobicContact CD1-CD1 4.48Å; L92-L96 HydrophobicContact CD1-CG 4.45Å; L92-L96 HydrophobicContact CG-CD1 4.31Å; L92-L96 VanDerWaalsContact O-CG 3.29Å; L92-L96 WeakPolarHBondContact O-CG 3.34Å; L92-L96 PolarHBondContact O-N 2.97Å; L92-M236 HydrophobicContact CB-SD 4.05Å; L92-M236 HydrophobicContact CD1-SD 4Å |
| 93 | L | 96.7 | Very high | 95 | Very high | 116 Ų | 116 | 61.6 Ų | 61.6 | 61% | 0.607 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -65.1 | -39.7 | 177.9 | -175.5 | 145.4 | 0 | 0 | 0 | 111.6 | M89 F90 I91 L96 A97 | M89-L93 WeakPolarHBondContact O-CB 3.26Å; M89-L93 PolarHBondContact O-N 3.29Å; F90-L93 PolarHBondContact O-N 3.16Å; F90-L93 VanDerWaalsContact O-N 3.16Å; I91-L93 VanDerWaalsContact C-N 3.32Å; I91-L93 PolarHBondContact O-N 3.19Å; L93-L96 PolarHBondContact O-N 3.43Å; L93-A97 WeakPolarHBondContact O-CB 3.38Å; L93-A97 PolarHBondContact O-N 2.88Å |
| 94 | I | 95.6 | Very high | 94.9 | Very high | 22 Ų | 22 | 64.2 Ų | 64.2 | 11% | 0.113 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.2 | -49 | 176.6 | -59.2 | 161.5 | 0 | 0 | 0 | 109.9 | M64 L68 F90 I91 L92 L96 A97 E98 E232 | M64-I94 HydrophobicContact CE-CD1 3.2Å; M64-I94 HydrophobicContact CE-CG1 3.35Å; L68-I94 HydrophobicContact CD1-CD1 3.7Å; L68-I94 HydrophobicContact CD2-CD1 4.32Å; F90-I94 VanDerWaalsContact O-CG1 3.26Å; F90-I94 WeakPolarHBondContact O-CG1 3.17Å; F90-I94 PolarHBondContact O-N 3.34Å; I91-I94 HydrophobicContact CD1-CD1 4.34Å; I91-I94 PolarHBondContact O-N 3.23Å; L92-I94 VanDerWaalsContact C-N 3.34Å; I94-L96 VanDerWaalsContact C-N 3.29Å; I94-L96 PolarHBondContact O-N 3.03Å; I94-A97 CarbonylContact O-C 3.59Å; I94-A97 WeakPolarHBondContact O-CA 3.31Å; I94-A97 WeakPolarHBondContact O-CB 3.47Å; I94-A97 PolarHBondContact O-N 3.02Å; I94-E98 HydrophobicContact CG2-CG 4.22Å; I94-E98 WeakPolarHBondContact O-CG 3.44Å; I94-E98 PolarHBondContact O-N 3.35Å; I94-E232 WeakPolarHBondContact CG2-OE1 3.27Å |
| 95 | F | 96.6 | Very high | 94.7 | Very high | 51 Ų | 51 | 67.2 Ų | 67.2 | 22% | 0.224 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -54.5 | -44.7 | 177.1 | 179.9 | -93.2 | 0 | 0 | 0 | 112.4 | I91 L92 L99 L229 E232 M236 | I91-F95 WeakPolarHBondContact O-CB 3.11Å; I91-F95 PolarHBondContact O-N 3.16Å; L92-F95 PolarHBondContact O-N 3.41Å; F95-L99 VanDerWaalsContact O-CB 3.31Å; F95-L99 WeakPolarHBondContact O-CB 3.19Å; F95-L99 PolarHBondContact O-N 2.93Å; F95-L229 HydrophobicContact CD2-CD2 3.6Å; F95-L229 HydrophobicContact CE2-CB 4.31Å; F95-L229 HydrophobicContact CE2-CD2 3.65Å; F95-E232 VanDerWaalsContact CA-OE2 3.26Å; F95-E232 WeakPolarHBondContact CA-OE2 3.38Å; F95-E232 WeakPolarHBondContact CB-OE2 3.19Å; F95-E232 HydrophobicContact CD2-CB 4.44Å; F95-M236 HydrophobicContact CB-CE 4.19Å; F95-M236 HydrophobicContact CD2-CE 4.18Å; F95-M236 HydrophobicContact CG-CE 4.04Å |
| 96 | L | 97 | Very high | 94.3 | Very high | 95 Ų | 95 | 70.7 Ų | 70.7 | 50% | 0.497 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 176.3 | -69.4 | 175.2 | 0 | 0 | 0 | 112.1 | L92 L93 I94 S100 | L92-L96 HydrophobicContact CD1-CD1 4.48Å; L92-L96 HydrophobicContact CD1-CG 4.45Å; L92-L96 HydrophobicContact CG-CD1 4.31Å; L92-L96 VanDerWaalsContact O-CG 3.29Å; L92-L96 WeakPolarHBondContact O-CG 3.34Å; L92-L96 PolarHBondContact O-N 2.97Å; L93-L96 PolarHBondContact O-N 3.43Å; I94-L96 VanDerWaalsContact C-N 3.29Å; I94-L96 PolarHBondContact O-N 3.03Å; L96-S100 VanDerWaalsContact O-CB 3.32Å; L96-S100 WeakPolarHBondContact O-CB 3.47Å; L96-S100 PolarHBondContact O-N 3.22Å; L96-S100 PolarHBondContact O-OG 3.27Å |
| 97 | A | 95.8 | Very high | 94.1 | Very high | 49 Ų | 49 | 69.2 Ų | 69.2 | 41% | 0.405 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.2 | -46.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | L93 I94 S100 A101 | L93-A97 WeakPolarHBondContact O-CB 3.38Å; L93-A97 PolarHBondContact O-N 2.88Å; I94-A97 CarbonylContact O-C 3.59Å; I94-A97 WeakPolarHBondContact O-CA 3.31Å; I94-A97 WeakPolarHBondContact O-CB 3.47Å; I94-A97 PolarHBondContact O-N 3.02Å; A97-S100 PolarHBondContact O-N 3.16Å; A97-S100 PolarHBondContact O-OG 3.49Å; A97-A101 WeakPolarHBondContact O-CB 3.22Å; A97-A101 PolarHBondContact O-N 3.01Å |
| 98 | E | 94 | Very high | 93.5 | Very high | 65 Ų | 65 | 74.1 Ų | 74.1 | 30% | 0.304 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 176 | -69.9 | -166.5 | 164.9 | 0 | 0 | 111.9 | I94 S100 A101 A102 V228 L229 | I94-E98 HydrophobicContact CG2-CG 4.22Å; I94-E98 WeakPolarHBondContact O-CG 3.44Å; I94-E98 PolarHBondContact O-N 3.35Å; E98-S100 VanDerWaalsContact C-N 3.33Å; E98-S100 PolarHBondContact O-N 2.85Å; E98-A101 PolarHBondContact O-N 3.47Å; E98-A102 WeakPolarHBondContact O-CB 3.26Å; E98-A102 PolarHBondContact O-N 2.74Å; E98-V228 WeakPolarHBondContact OE1-CG1 3.44Å; E98-L229 HydrophobicContact CB-CD2 4.02Å; E98-L229 WeakPolarHBondContact OE2-CD2 3.28Å |
| 99 | L | 94.6 | Very high | 92.9 | Very high | 76 Ų | 76 | 81.4 Ų | 81.4 | 40% | 0.398 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 176 | -177.4 | 63.7 | 0 | 0 | 0 | 111.3 | F95 A102 I103 | F95-L99 VanDerWaalsContact O-CB 3.31Å; F95-L99 WeakPolarHBondContact O-CB 3.19Å; F95-L99 PolarHBondContact O-N 2.93Å; L99-A102 PolarHBondContact O-N 2.8Å; L99-I103 HydrophobicContact CD1-CD1 4.29Å; L99-I103 HydrophobicContact CG-CD1 4.03Å; L99-I103 WeakPolarHBondContact O-CD1 3.28Å; L99-I103 VanDerWaalsContact O-CG1 3.24Å; L99-I103 WeakPolarHBondContact O-CG1 3.49Å; L99-I103 PolarHBondContact O-N 2.87Å |
| 100 | S | 95.5 | Very high | 91.9 | Very high | 60 Ų | 60 | 84.2 Ų | 84.2 | 42% | 0.42 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 177.5 | 76.5 | 0 | 0 | 0 | 0 | 112 | L96 A97 E98 I103 L104 | L96-S100 VanDerWaalsContact O-CB 3.32Å; L96-S100 WeakPolarHBondContact O-CB 3.47Å; L96-S100 PolarHBondContact O-N 3.22Å; L96-S100 PolarHBondContact O-OG 3.27Å; A97-S100 PolarHBondContact O-N 3.16Å; A97-S100 PolarHBondContact O-OG 3.49Å; E98-S100 VanDerWaalsContact C-N 3.33Å; E98-S100 PolarHBondContact O-N 2.85Å; S100-I103 PolarHBondContact O-N 2.54Å; S100-L104 WeakPolarHBondContact O-CB 3.47Å; S100-L104 VanDerWaalsContact O-CG 3.29Å; S100-L104 WeakPolarHBondContact O-CG 3.42Å; S100-L104 PolarHBondContact O-N 2.96Å |
| 101 | A | 92.6 | Very high | 91.1 | Very high | 55 Ų | 55 | 83.7 Ų | 83.7 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A97 E98 L104 A105 | A97-A101 WeakPolarHBondContact O-CB 3.22Å; A97-A101 PolarHBondContact O-N 3.01Å; E98-A101 PolarHBondContact O-N 3.47Å; A101-L104 PolarHBondContact O-N 2.89Å; A101-A105 VanDerWaalsContact O-CB 3.27Å; A101-A105 WeakPolarHBondContact O-CB 3.39Å; A101-A105 PolarHBondContact O-N 2.99Å |
| 102 | A | 91.3 | Very high | 90.3 | Very high | 56 Ų | 56 | 86.5 Ų | 86.5 | 46% | 0.463 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | E98 L99 A105 F106 | E98-A102 WeakPolarHBondContact O-CB 3.26Å; E98-A102 PolarHBondContact O-N 2.74Å; L99-A102 PolarHBondContact O-N 2.8Å; A102-A105 PolarHBondContact O-N 3.4Å; A102-F106 WeakPolarHBondContact O-CB 3.49Å; A102-F106 PolarHBondContact O-N 2.85Å |
| 103 | I | 92.7 | Very high | 89.8 | Confident | 90 Ų | 90 | 86.9 Ų | 86.9 | 46% | 0.462 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.2 | -47 | 176.3 | -67.5 | 164.4 | 0 | 0 | 0 | 110.5 | L99 S100 A105 F106 I107 | L99-I103 HydrophobicContact CD1-CD1 4.29Å; L99-I103 HydrophobicContact CG-CD1 4.03Å; L99-I103 WeakPolarHBondContact O-CD1 3.28Å; L99-I103 VanDerWaalsContact O-CG1 3.24Å; L99-I103 WeakPolarHBondContact O-CG1 3.49Å; L99-I103 PolarHBondContact O-N 2.87Å; S100-I103 PolarHBondContact O-N 2.54Å; I103-A105 VanDerWaalsContact C-N 3.35Å; I103-A105 PolarHBondContact O-N 3.39Å; I103-F106 PolarHBondContact O-N 3.43Å; I103-I107 HydrophobicContact CG2-CD1 3.77Å; I103-I107 HydrophobicContact CG2-CG1 4.44Å; I103-I107 WeakPolarHBondContact O-CG1 3.34Å; I103-I107 PolarHBondContact O-N 3.36Å |
| 104 | L | 91.8 | Very high | 89.3 | Confident | 91 Ų | 91 | 86.5 Ų | 86.5 | 48% | 0.476 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 177 | -74 | 168.7 | 0 | 0 | 0 | 111.1 | S100 A101 F106 I107 F108 | S100-L104 WeakPolarHBondContact O-CB 3.47Å; S100-L104 VanDerWaalsContact O-CG 3.29Å; S100-L104 WeakPolarHBondContact O-CG 3.42Å; S100-L104 PolarHBondContact O-N 2.96Å; A101-L104 PolarHBondContact O-N 2.89Å; L104-F106 VanDerWaalsContact C-N 3.28Å; L104-F106 PolarHBondContact O-N 3.44Å; L104-I107 PolarHBondContact O-N 3.46Å; L104-F108 HydrophobicContact CB-CD2 4.46Å; L104-F108 HydrophobicContact CD2-CD2 4.36Å; L104-F108 HydrophobicContact CD2-CE2 3.97Å; L104-F108 WeakPolarHBondContact O-CB 3.44Å; L104-F108 VanDerWaalsContact O-CD2 3.31Å; L104-F108 WeakPolarHBondContact O-CD2 3.31Å; L104-F108 PolarHBondContact O-N 2.88Å |
| 105 | A | 87.9 | Confident | 89 | Confident | 65 Ų | 65 | 93.1 Ų | 93.1 | 54% | 0.537 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.8 | -40.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A101 A102 I103 R109 | A101-A105 VanDerWaalsContact O-CB 3.27Å; A101-A105 WeakPolarHBondContact O-CB 3.39Å; A101-A105 PolarHBondContact O-N 2.99Å; A102-A105 PolarHBondContact O-N 3.4Å; I103-A105 VanDerWaalsContact C-N 3.35Å; I103-A105 PolarHBondContact O-N 3.39Å; A105-R109 WeakPolarHBondContact O-CB 3.29Å; A105-R109 PolarHBondContact O-N 2.89Å |
| 106 | F | 87.4 | Confident | 88.6 | Confident | 152 Ų | 152 | 95.1 Ų | 95.1 | 67% | 0.667 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.5 | -46.1 | 176.9 | -174.7 | -97 | 0 | 0 | 0 | 112.5 | A102 I103 L104 R109 | A102-F106 WeakPolarHBondContact O-CB 3.49Å; A102-F106 PolarHBondContact O-N 2.85Å; I103-F106 PolarHBondContact O-N 3.43Å; L104-F106 VanDerWaalsContact C-N 3.28Å; L104-F106 PolarHBondContact O-N 3.44Å; F106-R109 WeakPolarHBondContact O-CB 3.32Å; F106-R109 PolarHBondContact O-N 2.9Å |
| 107 | I | 89.6 | Confident | 88.3 | Confident | 94 Ų | 94 | 93.4 Ų | 93.4 | 48% | 0.482 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.9 | -46 | 179.5 | -66.5 | 169.1 | 0 | 0 | 0 | 111 | I103 L104 R109 | I103-I107 HydrophobicContact CG2-CD1 3.77Å; I103-I107 HydrophobicContact CG2-CG1 4.44Å; I103-I107 WeakPolarHBondContact O-CG1 3.34Å; I103-I107 PolarHBondContact O-N 3.36Å; L104-I107 PolarHBondContact O-N 3.46Å; I107-R109 VanDerWaalsContact C-N 3.27Å; I107-R109 PolarHBondContact O-N 3.19Å |
| 108 | F | 84.3 | Confident | 88 | Confident | 108 Ų | 108 | 92 Ų | 92 | 47% | 0.474 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -73.9 | -17.7 | -177.4 | -82.1 | -75.3 | 0 | 0 | 0 | 113.3 | L104 E110 N111 L112 | L104-F108 HydrophobicContact CB-CD2 4.46Å; L104-F108 HydrophobicContact CD2-CD2 4.36Å; L104-F108 HydrophobicContact CD2-CE2 3.97Å; L104-F108 WeakPolarHBondContact O-CB 3.44Å; L104-F108 VanDerWaalsContact O-CD2 3.31Å; L104-F108 WeakPolarHBondContact O-CD2 3.31Å; L104-F108 PolarHBondContact O-N 2.88Å; F108-E110 PolarHBondContact O-N 3.3Å; F108-E110 VanDerWaalsContact O-N 3.1Å; F108-N111 HydrophobicContact CD1-CB 4.37Å; F108-N111 PolarHBondContact O-N 3.26Å; F108-L112 WeakPolarHBondContact O-CG 3.37Å; F108-L112 PolarHBondContact O-N 3.24Å; F108-L112 VanDerWaalsContact O-N 3.16Å |
| 109 | R | 81.7 | Confident | 87.7 | Confident | 193 Ų | 193 | 96 Ų | 96 | 73% | 0.728 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -40.2 | 177.5 | -174.4 | -176.8 | 177.3 | -170.3 | 0.4 | 112.6 | A105 F106 I107 | A105-R109 WeakPolarHBondContact O-CB 3.29Å; A105-R109 PolarHBondContact O-N 2.89Å; F106-R109 WeakPolarHBondContact O-CB 3.32Å; F106-R109 PolarHBondContact O-N 2.9Å; I107-R109 VanDerWaalsContact C-N 3.27Å; I107-R109 PolarHBondContact O-N 3.19Å |
| 110 | E | 77 | Confident | 87.5 | Confident | 161 Ų | 161 | 94.6 Ų | 94.6 | 75% | 0.752 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -26.3 | -178.9 | -61.2 | -170.4 | 167.9 | 0 | 0 | 113.2 | F108 T113 | F108-E110 PolarHBondContact O-N 3.3Å; F108-E110 VanDerWaalsContact O-N 3.1Å; E110-T113 WeakPolarHBondContact O-CG2 3.16Å |
| 111 | N | 77.5 | Confident | 87.1 | Confident | 91 Ų | 91 | 91.8 Ų | 91.8 | 49% | 0.487 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -17.5 | -178.8 | -69 | -44.9 | 0 | 0 | 0 | 113.3 | F108 T113 | F108-N111 HydrophobicContact CD1-CB 4.37Å; F108-N111 PolarHBondContact O-N 3.26Å; N111-T113 PolarHBondContact O-N 3.18Å |
| 112 | L | 79.8 | Confident | 86.8 | Confident | 74 Ų | 74 | 93 Ų | 93 | 39% | 0.387 | 45% | 0.45 | S | S | . | . | trans | -80 | 56.6 | 178.9 | -65.9 | -179.6 | 0 | 0 | 0 | 111.9 | F108 F116 F117 Y207 | F108-L112 WeakPolarHBondContact O-CG 3.37Å; F108-L112 PolarHBondContact O-N 3.24Å; F108-L112 VanDerWaalsContact O-N 3.16Å; L112-F116 HydrophobicContact CD2-CD1 4.48Å; L112-F116 HydrophobicContact CD2-CE1 4.5Å; L112-F117 HydrophobicContact CB-CE2 3.84Å; L112-F117 HydrophobicContact CB-CZ 4.25Å; L112-F117 HydrophobicContact CD2-CE1 4.43Å; L112-F117 HydrophobicContact CD2-CE2 4.06Å; L112-F117 HydrophobicContact CD2-CZ 3.69Å; L112-F117 HydrophobicContact CG-CE2 4.45Å; L112-F117 HydrophobicContact CG-CZ 4.37Å; L112-Y207 WeakPolarHBondContact O-CE2 3.13Å; L112-Y207 PolarHBondContact O-OH 3.11Å | ||
| 113 | T | 85.9 | Confident | 86.5 | Confident | 60 Ų | 60 | 97 Ų | 97 | 37% | 0.368 | 46% | 0.457 | S | S | . | . | trans | -83 | 161 | 177.9 | 65.5 | 0 | 0 | 0 | 0 | 111.7 | E110 N111 E115 F116 F117 | E110-T113 WeakPolarHBondContact O-CG2 3.16Å; N111-T113 PolarHBondContact O-N 3.18Å; T113-E115 PolarHBondContact O-N 3.33Å; T113-F116 PolarHBondContact O-N 3.17Å; T113-F116 PolarHBondContact OG1-N 2.89Å; T113-F117 WeakPolarHBondContact O-CD2 3.41Å; T113-F117 PolarHBondContact O-N 3.23Å | ||
| 114 | R | 87.5 | Confident | 86.1 | Confident | 108 Ų | 108 | 96.4 Ų | 96.4 | 41% | 0.408 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -52 | -43.1 | 171.9 | -73 | -179.7 | -158.9 | -121.4 | 4.9 | 111.9 | F116 F117 T118 V150 N151 Y207 T208 | R114-F116 PolarHBondContact O-N 3.4Å; R114-F117 PolarHBondContact O-N 3.34Å; R114-T118 VanDerWaalsContact O-CB 3.31Å; R114-T118 WeakPolarHBondContact O-CB 3.43Å; R114-T118 PolarHBondContact O-N 3.42Å; R114-T118 PolarHBondContact O-OG1 2.87Å; R114-V150 HydrophobicContact CB-CG1 4.5Å; R114-N151 WeakPolarHBondContact CD-OD1 3.09Å; R114-Y207 HydrophobicContact CG-CD1 3.25Å; R114-Y207 HydrophobicContact CG-CD2 4.1Å; R114-Y207 HydrophobicContact CG-CE1 3.34Å; R114-Y207 HydrophobicContact CG-CE2 4.2Å; R114-Y207 HydrophobicContact CG-CG 3.64Å; R114-T208 VanDerWaalsContact NH2-CG2 3.34Å |
| 115 | E | 88.6 | Confident | 85.7 | Confident | 161 Ų | 161 | 92.8 Ų | 92.8 | 75% | 0.752 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -64.1 | -42.2 | -177.2 | -65.3 | -175.1 | 176.6 | 0 | 0 | 112 | T113 T118 K119 | T113-E115 PolarHBondContact O-N 3.33Å; E115-T118 PolarHBondContact O-N 2.94Å; E115-K119 VanDerWaalsContact O-CB 3.29Å; E115-K119 WeakPolarHBondContact O-CB 3.39Å; E115-K119 PolarHBondContact O-N 2.87Å |
| 116 | F | 88.9 | Confident | 85.2 | Confident | 93 Ų | 93 | 94.1 Ų | 94.1 | 41% | 0.408 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.2 | -52.9 | 176.4 | 178.7 | -96.3 | 0 | 0 | 0 | 111.1 | L112 T113 R114 T118 K119 E120 | L112-F116 HydrophobicContact CD2-CD1 4.48Å; L112-F116 HydrophobicContact CD2-CE1 4.5Å; T113-F116 PolarHBondContact O-N 3.17Å; T113-F116 PolarHBondContact OG1-N 2.89Å; R114-F116 PolarHBondContact O-N 3.4Å; F116-T118 VanDerWaalsContact C-N 3.32Å; F116-T118 PolarHBondContact O-N 3.4Å; F116-K119 PolarHBondContact O-N 3.34Å; F116-E120 HydrophobicContact CD1-CG 4.43Å; F116-E120 HydrophobicContact CE1-CG 3.99Å; F116-E120 HydrophobicContact CE2-CG 4.15Å; F116-E120 HydrophobicContact CZ-CG 3.83Å; F116-E120 WeakPolarHBondContact O-CG 3.21Å; F116-E120 PolarHBondContact O-N 2.96Å |
| 117 | F | 89.8 | Confident | 84.2 | Confident | 60 Ų | 60 | 89.5 Ų | 89.5 | 26% | 0.263 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 178.3 | -75.8 | -68.6 | 0 | 0 | 0 | 112.5 | L112 T113 R114 K119 E120 L121 V150 Y207 | L112-F117 HydrophobicContact CB-CE2 3.84Å; L112-F117 HydrophobicContact CB-CZ 4.25Å; L112-F117 HydrophobicContact CD2-CE1 4.43Å; L112-F117 HydrophobicContact CD2-CE2 4.06Å; L112-F117 HydrophobicContact CD2-CZ 3.69Å; L112-F117 HydrophobicContact CG-CE2 4.45Å; L112-F117 HydrophobicContact CG-CZ 4.37Å; T113-F117 WeakPolarHBondContact O-CD2 3.41Å; T113-F117 PolarHBondContact O-N 3.23Å; R114-F117 PolarHBondContact O-N 3.34Å; F117-K119 VanDerWaalsContact C-N 3.31Å; F117-K119 PolarHBondContact O-N 3.41Å; F117-E120 PolarHBondContact O-N 2.92Å; F117-L121 WeakPolarHBondContact O-CB 3.33Å; F117-L121 PolarHBondContact O-N 3.29Å; F117-V150 HydrophobicContact CB-CG1 3.86Å; F117-V150 HydrophobicContact CB-CG2 3.79Å; F117-Y207 AromaticContact CD2-CD2 3.77Å; F117-Y207 HydrophobicContact CD2-CD2 3.77Å; F117-Y207 AromaticContact CD2-CE2 3.73Å; F117-Y207 HydrophobicContact CD2-CE2 3.73Å; F117-Y207 HydrophobicContact CE2-CD2 4.18Å; F117-Y207 AromaticContact CE2-CE2 3.92Å; F117-Y207 HydrophobicContact CE2-CE2 3.92Å |
| 118 | T | 89.8 | Confident | 82.7 | Confident | 20 Ų | 20 | 91 Ų | 91 | 12% | 0.123 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 179.7 | -53.7 | 0 | 0 | 0 | 0 | 110.2 | R114 E115 F116 K122 V150 N151 | R114-T118 VanDerWaalsContact O-CB 3.31Å; R114-T118 WeakPolarHBondContact O-CB 3.43Å; R114-T118 PolarHBondContact O-N 3.42Å; R114-T118 PolarHBondContact O-OG1 2.87Å; E115-T118 PolarHBondContact O-N 2.94Å; F116-T118 VanDerWaalsContact C-N 3.32Å; F116-T118 PolarHBondContact O-N 3.4Å; T118-K122 HydrophobicContact CG2-CD 4.35Å; T118-K122 WeakPolarHBondContact O-CB 3.35Å; T118-K122 VanDerWaalsContact O-CG 3.31Å; T118-K122 WeakPolarHBondContact O-CG 3.32Å; T118-K122 PolarHBondContact O-N 2.95Å; T118-V150 WeakPolarHBondContact OG1-CG1 3.04Å; T118-N151 PolarHBondContact OG1-ND2 2.9Å |
| 119 | K | 88.4 | Confident | 81.7 | Confident | 147 Ų | 147 | 88.6 Ų | 88.6 | 64% | 0.639 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.3 | -46.2 | 177.7 | -174.6 | 179.7 | 179.8 | -178.2 | 0 | 112 | E115 F116 F117 K122 K123 | E115-K119 VanDerWaalsContact O-CB 3.29Å; E115-K119 WeakPolarHBondContact O-CB 3.39Å; E115-K119 PolarHBondContact O-N 2.87Å; F116-K119 PolarHBondContact O-N 3.34Å; F117-K119 VanDerWaalsContact C-N 3.31Å; F117-K119 PolarHBondContact O-N 3.41Å; K119-K122 PolarHBondContact O-N 2.8Å; K119-K123 VanDerWaalsContact O-CB 3.29Å; K119-K123 WeakPolarHBondContact O-CB 3.38Å; K119-K123 PolarHBondContact O-N 3.22Å |
| 120 | E | 88.8 | Confident | 80.7 | Confident | 47 Ų | 47 | 85.2 Ų | 85.2 | 22% | 0.22 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 177.9 | -69.5 | -57.1 | 124.7 | 0 | 0 | 111.5 | F116 F117 K122 K123 H124 F134 | F116-E120 HydrophobicContact CD1-CG 4.43Å; F116-E120 HydrophobicContact CE1-CG 3.99Å; F116-E120 HydrophobicContact CE2-CG 4.15Å; F116-E120 HydrophobicContact CZ-CG 3.83Å; F116-E120 WeakPolarHBondContact O-CG 3.21Å; F116-E120 PolarHBondContact O-N 2.96Å; F117-E120 PolarHBondContact O-N 2.92Å; E120-K122 PolarHBondContact O-N 3.13Å; E120-K123 PolarHBondContact O-N 3.38Å; E120-H124 WeakPolarHBondContact O-CB 3.49Å; E120-H124 PolarHBondContact O-N 3.46Å; E120-H124 IonicContact OE2-CD2 2.73Å; E120-H124 PolarHBondContact OE2-CD2 2.83Å; E120-H124 IonicContact OE2-NE2 2.75Å; E120-F134 HydrophobicContact CB-CZ 4.44Å |
| 121 | L | 88.8 | Confident | 80 | Confident | 1 Ų | 1 | 83.5 Ų | 83.5 | 1% | 0.005 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -53.4 | -53.7 | 172.3 | 172.1 | 57.8 | 0 | 0 | 0 | 110.6 | F117 K123 Y125 W138 V150 D155 F156 | F117-L121 WeakPolarHBondContact O-CB 3.33Å; F117-L121 PolarHBondContact O-N 3.29Å; L121-K123 PolarHBondContact O-N 2.75Å; L121-Y125 HydrophobicContact CD1-CD2 3.94Å; L121-Y125 HydrophobicContact CD1-CG 3.79Å; L121-Y125 WeakPolarHBondContact O-CB 3.47Å; L121-Y125 PolarHBondContact O-N 3.41Å; L121-W138 HydrophobicContact CD1-CG 4.34Å; L121-W138 VanDerWaalsContact CD1-NE1 3.31Å; L121-V150 HydrophobicContact CB-CG2 4.16Å; L121-V150 HydrophobicContact CD2-CG2 3.74Å; L121-D155 HydrophobicContact CD2-CB 4.08Å; L121-F156 HydrophobicContact CD1-CE1 3.75Å; L121-F156 HydrophobicContact CD1-CZ 4.08Å; L121-F156 HydrophobicContact CD2-CE1 4.18Å; L121-F156 HydrophobicContact CD2-CZ 4.03Å; L121-F156 HydrophobicContact CG-CE1 4.33Å |
| 122 | K | 84.9 | Confident | 80.1 | Confident | 80 Ų | 80 | 81.3 Ų | 81.3 | 35% | 0.348 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.2 | -24.4 | -178.2 | -71.4 | -177.8 | -174 | -159.8 | 0 | 113.7 | T118 K119 E120 D155 T158 L159 | T118-K122 HydrophobicContact CG2-CD 4.35Å; T118-K122 WeakPolarHBondContact O-CB 3.35Å; T118-K122 VanDerWaalsContact O-CG 3.31Å; T118-K122 WeakPolarHBondContact O-CG 3.32Å; T118-K122 PolarHBondContact O-N 2.95Å; K119-K122 PolarHBondContact O-N 2.8Å; E120-K122 PolarHBondContact O-N 3.13Å; K122-D155 WeakPolarHBondContact CE-O 3.29Å; K122-T158 VanDerWaalsContact CE-OG1 3.24Å; K122-T158 WeakPolarHBondContact CE-OG1 3.46Å; K122-T158 PolarHBondContact NZ-OG1 2.99Å; K122-L159 HydrophobicContact CB-CD2 4.38Å; K122-L159 VanDerWaalsContact O-CD2 3.3Å; K122-L159 WeakPolarHBondContact O-CD2 3.41Å |
| 123 | K | 84.6 | Confident | 80.1 | Confident | 141 Ų | 141 | 83.1 Ų | 83.1 | 61% | 0.613 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -89 | -35.5 | -176.5 | -175 | -179.1 | 168.8 | -149.3 | 0 | 113.1 | K119 E120 L121 | K119-K123 VanDerWaalsContact O-CB 3.29Å; K119-K123 WeakPolarHBondContact O-CB 3.38Å; K119-K123 PolarHBondContact O-N 3.22Å; E120-K123 PolarHBondContact O-N 3.38Å; L121-K123 PolarHBondContact O-N 2.75Å |
| 124 | H | 84.3 | Confident | 80 | Confident | 78 Ų | 78 | 83.8 Ų | 83.8 | 36% | 0.361 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -115.5 | -13.4 | -167.4 | -71.5 | -73.4 | 0 | 0 | 0 | 114.2 | E120 L126 F134 | E120-H124 WeakPolarHBondContact O-CB 3.49Å; E120-H124 PolarHBondContact O-N 3.46Å; E120-H124 IonicContact OE2-CD2 2.73Å; E120-H124 PolarHBondContact OE2-CD2 2.83Å; E120-H124 IonicContact OE2-NE2 2.75Å; H124-L126 PolarHBondContact O-N 3.27Å; H124-F134 HydrophobicContact CB-CD1 3.64Å; H124-F134 HydrophobicContact CB-CD2 4.33Å; H124-F134 HydrophobicContact CB-CE1 3.61Å; H124-F134 HydrophobicContact CB-CE2 4.3Å; H124-F134 HydrophobicContact CB-CG 4.02Å; H124-F134 HydrophobicContact CB-CZ 3.95Å |
| 125 | Y | 84.3 | Confident | 79.8 | Confident | 15 Ų | 15 | 78.7 Ų | 78.7 | 6% | 0.059 | 39% | 0.387 | C | S | . | . | trans | -79.4 | 122 | 179.1 | -172.7 | -93 | 0 | 0 | 0 | 111.8 | L121 R127 W138 N139 M142 F156 L159 P172 | L121-Y125 HydrophobicContact CD1-CD2 3.94Å; L121-Y125 HydrophobicContact CD1-CG 3.79Å; L121-Y125 WeakPolarHBondContact O-CB 3.47Å; L121-Y125 PolarHBondContact O-N 3.41Å; Y125-R127 HydrophobicContact CE1-CB 4.33Å; Y125-W138 HydrophobicContact CD2-CB 4.15Å; Y125-W138 HydrophobicContact CE2-CB 4.15Å; Y125-N139 WeakPolarHBondContact CE2-OD1 3.33Å; Y125-N139 PolarHBondContact OH-OD1 3.35Å; Y125-M142 HydrophobicContact CE2-CE 4.17Å; Y125-F156 HydrophobicContact CD1-CD1 4.04Å; Y125-F156 AromaticContact CD1-CE1 3.67Å; Y125-F156 HydrophobicContact CD1-CE1 3.67Å; Y125-F156 HydrophobicContact CD2-CE1 4.47Å; Y125-F156 AromaticContact CE1-CD1 3.99Å; Y125-F156 HydrophobicContact CE1-CD1 3.99Å; Y125-F156 AromaticContact CE1-CE1 3.58Å; Y125-F156 HydrophobicContact CE1-CE1 3.58Å; Y125-F156 HydrophobicContact CE2-CE1 4.41Å; Y125-F156 HydrophobicContact CG-CE1 4.12Å; Y125-F156 AromaticContact CZ-CE1 3.98Å; Y125-L159 HydrophobicContact CD1-CD1 4.46Å; Y125-P172 HydrophobicContact CE1-CB 4.38Å; Y125-P172 HydrophobicContact CE1-CG 3.98Å; Y125-P172 WeakPolarHBondContact OH-CB 3.43Å | ||
| 126 | L | 77.4 | Confident | 79.4 | Confident | 93 Ų | 93 | 72.2 Ų | 72.2 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | trans | -108.5 | 105.3 | 178.9 | -64.7 | 171.9 | 0 | 0 | 0 | 109 | H124 N128 N129 D132 S135 | H124-L126 PolarHBondContact O-N 3.27Å; L126-N128 PolarHBondContact O-N 3.38Å; L126-N128 VanDerWaalsContact O-N 3.11Å; L126-N129 HydrophobicContact CB-CB 3.79Å; L126-N129 HydrophobicContact CD1-CB 4.31Å; L126-N129 PolarHBondContact O-N 3.43Å; L126-D132 HydrophobicContact CD1-CB 4.49Å; L126-S135 PolarHBondContact N-OG 3.37Å | ||
| 127 | R | 65.6 | Low | 79.2 | Confident | 54 Ų | 54 | 71.3 Ų | 71.3 | 20% | 0.204 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 112.8 | 175.7 | 178.6 | 166.7 | -82.9 | 166.6 | 3.2 | 108.3 | Y125 E169 A170 | Y125-R127 HydrophobicContact CE1-CB 4.33Å; R127-E169 PolarHBondContact NH1-O 2.87Å; R127-A170 PolarHBondContact NH1-O 2.86Å; R127-A170 PolarHBondContact NH2-O 2.7Å |
| 128 | N | 59 | Low | 79 | Confident | 125 Ų | 125 | 70.4 Ų | 70.4 | 67% | 0.668 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | 15.9 | -179.8 | -50.2 | -18.4 | 0 | 0 | 0 | 116.9 | L126 | L126-N128 PolarHBondContact O-N 3.38Å; L126-N128 VanDerWaalsContact O-N 3.11Å |
| 129 | N | 63.7 | Low | 78.9 | Confident | 59 Ų | 59 | 70.7 Ų | 70.7 | 32% | 0.316 | 36% | 0.358 | S | S | . | . | trans | -105 | 79.9 | 166.5 | -164.6 | 3.7 | 0 | 0 | 0 | 111.3 | L126 T131 D132 | L126-N129 HydrophobicContact CB-CB 3.79Å; L126-N129 HydrophobicContact CD1-CB 4.31Å; L126-N129 PolarHBondContact O-N 3.43Å; N129-T131 PolarHBondContact O-N 3.26Å; N129-T131 VanDerWaalsContact O-N 3.07Å; N129-T131 PolarHBondContact OD1-N 2.96Å; N129-T131 PolarHBondContact OD1-OG1 2.91Å; N129-D132 HydrophobicContact CB-CB 4.34Å; N129-D132 WeakPolarHBondContact O-CB 3.42Å; N129-D132 PolarHBondContact O-N 2.84Å | ||
| 130 | D | 59.2 | Low | 78.6 | Confident | 122 Ų | 122 | 64.5 Ų | 64.5 | 65% | 0.652 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -10.7 | 177.8 | -66 | -39.9 | 0 | 0 | 0 | 113.5 | ||
| 131 | T | 63.7 | Low | 78.6 | Confident | 124 Ų | 124 | 63.5 Ų | 63.5 | 76% | 0.761 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -18.1 | 174.1 | 73.5 | 0 | 0 | 0 | 0 | 113.2 | N129 | N129-T131 PolarHBondContact O-N 3.26Å; N129-T131 VanDerWaalsContact O-N 3.07Å; N129-T131 PolarHBondContact OD1-N 2.96Å; N129-T131 PolarHBondContact OD1-OG1 2.91Å |
| 132 | D | 79.3 | Confident | 78.6 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 25% | 0.246 | 33% | 0.33 | C | S | . | . | trans | -78.9 | 123.6 | 177.9 | 175.5 | 65 | 0 | 0 | 0 | 111 | L126 N129 F134 S135 S136 | L126-D132 HydrophobicContact CD1-CB 4.49Å; N129-D132 HydrophobicContact CB-CB 4.34Å; N129-D132 WeakPolarHBondContact O-CB 3.42Å; N129-D132 PolarHBondContact O-N 2.84Å; D132-F134 VanDerWaalsContact C-N 3.28Å; D132-F134 PolarHBondContact O-N 3.36Å; D132-F134 WeakPolarHBondContact OD2-CB 3.26Å; D132-F134 PolarHBondContact OD2-N 3.37Å; D132-S135 PolarHBondContact O-N 3.2Å; D132-S135 WeakPolarHBondContact OD2-CB 3.36Å; D132-S135 PolarHBondContact OD2-N 2.98Å; D132-S135 PolarHBondContact OD2-OG 3.26Å; D132-S136 VanDerWaalsContact O-CB 3.31Å; D132-S136 WeakPolarHBondContact O-CB 3.34Å; D132-S136 PolarHBondContact O-N 2.97Å | ||
| 133 | V | 79.3 | Confident | 78.6 | Confident | 111 Ų | 111 | 63 Ų | 63 | 67% | 0.673 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.6 | -36.6 | -175.7 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | T137 | V133-T137 VanDerWaalsContact O-CB 3.28Å; V133-T137 WeakPolarHBondContact O-CB 3.42Å; V133-T137 PolarHBondContact O-N 3.2Å; V133-T137 PolarHBondContact O-OG1 2.98Å |
| 134 | F | 84 | Confident | 78.6 | Confident | 75 Ų | 75 | 60.6 Ų | 60.6 | 33% | 0.329 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.6 | -49.5 | -179.5 | -178.4 | -91 | 0 | 0 | 0 | 110.9 | E120 H124 D132 T137 W138 | E120-F134 HydrophobicContact CB-CZ 4.44Å; H124-F134 HydrophobicContact CB-CD1 3.64Å; H124-F134 HydrophobicContact CB-CD2 4.33Å; H124-F134 HydrophobicContact CB-CE1 3.61Å; H124-F134 HydrophobicContact CB-CE2 4.3Å; H124-F134 HydrophobicContact CB-CG 4.02Å; H124-F134 HydrophobicContact CB-CZ 3.95Å; D132-F134 VanDerWaalsContact C-N 3.28Å; D132-F134 PolarHBondContact O-N 3.36Å; D132-F134 WeakPolarHBondContact OD2-CB 3.26Å; D132-F134 PolarHBondContact OD2-N 3.37Å; F134-T137 PolarHBondContact O-N 2.77Å; F134-W138 PolarHBondContact O-N 3.08Å |
| 135 | S | 83.3 | Confident | 78.7 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 179.6 | -53.6 | 0 | 0 | 0 | 0 | 111.9 | L126 D132 W138 N139 | L126-S135 PolarHBondContact N-OG 3.37Å; D132-S135 PolarHBondContact O-N 3.2Å; D132-S135 WeakPolarHBondContact OD2-CB 3.36Å; D132-S135 PolarHBondContact OD2-N 2.98Å; D132-S135 PolarHBondContact OD2-OG 3.26Å; S135-W138 PolarHBondContact O-N 3.44Å; S135-N139 WeakPolarHBondContact O-CB 3.22Å; S135-N139 PolarHBondContact O-N 3.25Å |
| 136 | S | 80.7 | Confident | 78.9 | Confident | 26 Ų | 26 | 62.8 Ų | 62.8 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 176 | -175.3 | 0 | 0 | 0 | 0 | 112.8 | D132 W138 N139 S140 | D132-S136 VanDerWaalsContact O-CB 3.31Å; D132-S136 WeakPolarHBondContact O-CB 3.34Å; D132-S136 PolarHBondContact O-N 2.97Å; S136-W138 VanDerWaalsContact C-N 3.34Å; S136-W138 PolarHBondContact O-N 3.32Å; S136-N139 PolarHBondContact O-N 3.28Å; S136-S140 WeakPolarHBondContact O-CB 3.27Å; S136-S140 PolarHBondContact O-N 2.8Å; S136-S140 PolarHBondContact O-OG 3.09Å |
| 137 | T | 83.8 | Confident | 79.6 | Confident | 74 Ų | 74 | 58.3 Ų | 58.3 | 45% | 0.454 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 175.2 | -59.2 | 0 | 0 | 0 | 0 | 110.7 | V133 F134 S140 V141 | V133-T137 VanDerWaalsContact O-CB 3.28Å; V133-T137 WeakPolarHBondContact O-CB 3.42Å; V133-T137 PolarHBondContact O-N 3.2Å; V133-T137 PolarHBondContact O-OG1 2.98Å; F134-T137 PolarHBondContact O-N 2.77Å; T137-S140 WeakPolarHBondContact O-CB 3.37Å; T137-S140 PolarHBondContact O-N 3.46Å; T137-V141 WeakPolarHBondContact O-CG2 3.44Å; T137-V141 PolarHBondContact O-N 3.19Å |
| 138 | W | 87.2 | Confident | 80.9 | Confident | 40 Ų | 40 | 55.8 Ų | 55.8 | 15% | 0.152 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.7 | -37.8 | -179.7 | -134.8 | -139.6 | 0 | 0 | 0 | 113.4 | L121 Y125 F134 S135 S136 S140 V141 M142 V150 | L121-W138 HydrophobicContact CD1-CG 4.34Å; L121-W138 VanDerWaalsContact CD1-NE1 3.31Å; Y125-W138 HydrophobicContact CD2-CB 4.15Å; Y125-W138 HydrophobicContact CE2-CB 4.15Å; F134-W138 PolarHBondContact O-N 3.08Å; S135-W138 PolarHBondContact O-N 3.44Å; S136-W138 VanDerWaalsContact C-N 3.34Å; S136-W138 PolarHBondContact O-N 3.32Å; W138-S140 VanDerWaalsContact C-N 3.28Å; W138-S140 PolarHBondContact O-N 3.06Å; W138-V141 HydrophobicContact CE3-CB 3.91Å; W138-V141 HydrophobicContact CE3-CG1 4.13Å; W138-V141 HydrophobicContact CE3-CG2 3.87Å; W138-V141 HydrophobicContact CH2-CG1 4.44Å; W138-V141 HydrophobicContact CZ3-CB 4.11Å; W138-V141 HydrophobicContact CZ3-CG1 3.9Å; W138-V141 HydrophobicContact CZ3-CG2 3.93Å; W138-V141 PolarHBondContact O-N 3.45Å; W138-M142 WeakPolarHBondContact O-CE 3.48Å; W138-M142 WeakPolarHBondContact O-CG 3.32Å; W138-M142 PolarHBondContact O-N 3.39Å; W138-V150 HydrophobicContact CZ2-CG2 4.2Å |
| 139 | N | 85.8 | Confident | 82.4 | Confident | 27 Ų | 27 | 49.8 Ų | 49.8 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.3 | -44.5 | 169.7 | -72.5 | -11.6 | 0 | 0 | 0 | 111.2 | Y125 S135 S136 V141 M142 I143 A174 | Y125-N139 WeakPolarHBondContact CE2-OD1 3.33Å; Y125-N139 PolarHBondContact OH-OD1 3.35Å; S135-N139 WeakPolarHBondContact O-CB 3.22Å; S135-N139 PolarHBondContact O-N 3.25Å; S136-N139 PolarHBondContact O-N 3.28Å; N139-V141 PolarHBondContact O-N 2.96Å; N139-M142 PolarHBondContact O-N 2.96Å; N139-M142 WeakPolarHBondContact OD1-CE 3.49Å; N139-I143 WeakPolarHBondContact O-CB 3.24Å; N139-I143 WeakPolarHBondContact O-CD1 3.36Å; N139-I143 VanDerWaalsContact O-CG1 3.22Å; N139-I143 WeakPolarHBondContact O-CG1 3.45Å; N139-I143 PolarHBondContact O-N 2.95Å; N139-A174 HydrophobicContact CB-CB 3.82Å |
| 140 | S | 83.3 | Confident | 83.8 | Confident | 16 Ų | 16 | 47 Ų | 47 | 11% | 0.112 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 177.6 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | S136 T137 W138 T144 | S136-S140 WeakPolarHBondContact O-CB 3.27Å; S136-S140 PolarHBondContact O-N 2.8Å; S136-S140 PolarHBondContact O-OG 3.09Å; T137-S140 WeakPolarHBondContact O-CB 3.37Å; T137-S140 PolarHBondContact O-N 3.46Å; W138-S140 VanDerWaalsContact C-N 3.28Å; W138-S140 PolarHBondContact O-N 3.06Å; S140-T144 VanDerWaalsContact O-CB 3.23Å; S140-T144 WeakPolarHBondContact O-CB 3.16Å; S140-T144 PolarHBondContact O-N 3.12Å; S140-T144 PolarHBondContact O-OG1 3.32Å |
| 141 | V | 88.3 | Confident | 85.4 | Confident | 27 Ų | 27 | 44.5 Ų | 44.5 | 16% | 0.164 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.5 | -49.1 | 176.4 | 168.5 | 0 | 0 | 0 | 0 | 111.4 | T137 W138 N139 I143 T144 F145 C206 I210 | T137-V141 WeakPolarHBondContact O-CG2 3.44Å; T137-V141 PolarHBondContact O-N 3.19Å; W138-V141 HydrophobicContact CE3-CB 3.91Å; W138-V141 HydrophobicContact CE3-CG1 4.13Å; W138-V141 HydrophobicContact CE3-CG2 3.87Å; W138-V141 HydrophobicContact CH2-CG1 4.44Å; W138-V141 HydrophobicContact CZ3-CB 4.11Å; W138-V141 HydrophobicContact CZ3-CG1 3.9Å; W138-V141 HydrophobicContact CZ3-CG2 3.93Å; W138-V141 PolarHBondContact O-N 3.45Å; N139-V141 PolarHBondContact O-N 2.96Å; V141-I143 VanDerWaalsContact C-N 3.33Å; V141-I143 PolarHBondContact O-N 2.87Å; V141-T144 PolarHBondContact O-N 3.38Å; V141-F145 HydrophobicContact CG1-CD2 4.18Å; V141-F145 PolarHBondContact O-N 2.93Å; V141-C206 HydrophobicContact CG1-CB 4.38Å; V141-I210 HydrophobicContact CG1-CD1 3.55Å |
| 142 | M | 89.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.7 | -42.5 | 179.7 | -73.1 | -175.2 | -71.7 | 0 | 0 | 112.2 | Y125 W138 N139 A146 C147 F156 A174 C175 | Y125-M142 HydrophobicContact CE2-CE 4.17Å; W138-M142 WeakPolarHBondContact O-CE 3.48Å; W138-M142 WeakPolarHBondContact O-CG 3.32Å; W138-M142 PolarHBondContact O-N 3.39Å; N139-M142 PolarHBondContact O-N 2.96Å; N139-M142 WeakPolarHBondContact OD1-CE 3.49Å; M142-A146 WeakPolarHBondContact O-CA 3.38Å; M142-A146 PolarHBondContact O-N 3.32Å; M142-A146 VanDerWaalsContact O-N 3.09Å; M142-C147 WeakPolarHBondContact CA-O 3.38Å; M142-C147 VanDerWaalsContact CB-O 3.32Å; M142-C147 WeakPolarHBondContact CB-O 3.38Å; M142-C147 PolarHBondContact O-N 3.44Å; M142-F156 HydrophobicContact CE-CZ 3.99Å; M142-F156 HydrophobicContact SD-CE2 3.91Å; M142-F156 HydrophobicContact SD-CZ 3.69Å; M142-A174 HydrophobicContact CB-CB 4.14Å; M142-A174 HydrophobicContact CE-CB 3.86Å; M142-C175 PolarHBondContact SD-SG 3.1Å |
| 143 | I | 84.9 | Confident | 87 | Confident | 70 Ų | 70 | 36.4 Ų | 36.4 | 36% | 0.359 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.9 | -46.8 | 177 | -66.3 | 164.3 | 0 | 0 | 0 | 111 | N139 V141 A146 A174 | N139-I143 WeakPolarHBondContact O-CB 3.24Å; N139-I143 WeakPolarHBondContact O-CD1 3.36Å; N139-I143 VanDerWaalsContact O-CG1 3.22Å; N139-I143 WeakPolarHBondContact O-CG1 3.45Å; N139-I143 PolarHBondContact O-N 2.95Å; V141-I143 VanDerWaalsContact C-N 3.33Å; V141-I143 PolarHBondContact O-N 2.87Å; I143-A146 PolarHBondContact O-N 3.26Å; I143-A174 HydrophobicContact CD1-CB 4.13Å; I143-A174 HydrophobicContact CG1-CB 3.98Å |
| 144 | T | 84.6 | Confident | 87.3 | Confident | 90 Ų | 90 | 35.1 Ų | 35.1 | 55% | 0.552 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -66.2 | -41.7 | -174.1 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | S140 V141 | S140-T144 VanDerWaalsContact O-CB 3.23Å; S140-T144 WeakPolarHBondContact O-CB 3.16Å; S140-T144 PolarHBondContact O-N 3.12Å; S140-T144 PolarHBondContact O-OG1 3.32Å; V141-T144 PolarHBondContact O-N 3.38Å |
| 145 | F | 87.3 | Confident | 87.4 | Confident | 82 Ų | 82 | 32.2 Ų | 32.2 | 36% | 0.36 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 5.7 | -177.6 | -69.6 | -79.3 | 0 | 0 | 0 | 113.3 | V141 C147 V209 I210 | V141-F145 HydrophobicContact CG1-CD2 4.18Å; V141-F145 PolarHBondContact O-N 2.93Å; F145-C147 VanDerWaalsContact C-N 3.26Å; F145-C147 PolarHBondContact O-N 3.09Å; F145-V209 HydrophobicContact CB-CG1 4.09Å; F145-V209 HydrophobicContact CD1-CG1 4.32Å; F145-I210 HydrophobicContact CD2-CG1 4.14Å; F145-I210 HydrophobicContact CE2-CG1 4.34Å; F145-I210 HydrophobicContact CG-CG1 4.26Å |
| 146 | A | 88.4 | Confident | 87.4 | Confident | 57 Ų | 57 | 32.2 Ų | 32.2 | 47% | 0.471 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47 | 49.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M142 I143 N202 | M142-A146 WeakPolarHBondContact O-CA 3.38Å; M142-A146 PolarHBondContact O-N 3.32Å; M142-A146 VanDerWaalsContact O-N 3.09Å; I143-A146 PolarHBondContact O-N 3.26Å; A146-N202 VanDerWaalsContact C-CG 3.45Å; A146-N202 VanDerWaalsContact C-ND2 3.31Å; A146-N202 WeakPolarHBondContact CA-ND2 3.49Å; A146-N202 WeakPolarHBondContact O-CB 3.38Å; A146-N202 VanDerWaalsContact O-CG 3.28Å |
| 147 | C | 92.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -128.6 | 169.5 | -176.7 | 61.6 | 0 | 0 | 0 | 0 | 110.1 | M142 F145 Q204 C206 V209 | M142-C147 WeakPolarHBondContact CA-O 3.38Å; M142-C147 VanDerWaalsContact CB-O 3.32Å; M142-C147 WeakPolarHBondContact CB-O 3.38Å; M142-C147 PolarHBondContact O-N 3.44Å; F145-C147 VanDerWaalsContact C-N 3.26Å; F145-C147 PolarHBondContact O-N 3.09Å; C147-Q204 CarbonylContact C-O 3.57Å; C147-Q204 WeakPolarHBondContact CA-O 3.29Å; C147-Q204 VanDerWaalsContact CB-O 3.3Å; C147-Q204 WeakPolarHBondContact CB-O 3.31Å; C147-C206 HydrophobicContact CB-CB 3.88Å; C147-C206 WeakPolarHBondContact CB-SG 3.49Å; C147-C206 WeakPolarHBondContact SG-CA 3.34Å; C147-C206 WeakPolarHBondContact SG-CB 3.23Å; C147-C206 CovalentContact SG-SG 2.03Å; C147-C206 PolarHBondContact SG-SG 3.44Å; C147-V209 HydrophobicContact CB-CB 4.49Å; C147-V209 HydrophobicContact CB-CG2 4.14Å | ||
| 148 | C | 91.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -138.9 | 130.9 | 177.6 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | G152 C175 Q201 N202 Q204 | C148-G152 CarbonylContact O-C 3.6Å; C148-G152 VanDerWaalsContact O-C 3.3Å; C148-G152 WeakPolarHBondContact O-CA 3.37Å; C148-G152 PolarHBondContact O-N 3Å; C148-C175 VanDerWaalsContact CA-SG 3.51Å; C148-C175 HydrophobicContact CB-CB 3.61Å; C148-C175 WeakPolarHBondContact CB-SG 3.41Å; C148-C175 WeakPolarHBondContact SG-CB 3.36Å; C148-C175 CovalentContact SG-SG 2.02Å; C148-C175 PolarHBondContact SG-SG 3.22Å; C148-Q201 PolarHBondContact SG-NE2 3.22Å; C148-N202 HydrophobicContact CB-CB 4.3Å; C148-N202 WeakPolarHBondContact CB-O 3.24Å; C148-Q204 PolarHBondContact N-O 2.73Å | ||
| 149 | G | 91.7 | Very high | 84.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 63.5 | -168.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F156 C206 | G149-F156 VanDerWaalsContact CA-CE2 3.48Å; G149-C206 WeakPolarHBondContact O-CB 3.35Å; G149-C206 PolarHBondContact O-N 3.23Å; G149-C206 PolarHBondContact O-SG 2.95Å; G149-C206 VanDerWaalsContact O-SG 3.36Å |
| 150 | V | 93.2 | Very high | 82.8 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -81.8 | -50.3 | 175.7 | -179.9 | 0 | 0 | 0 | 0 | 109.6 | R114 F117 T118 L121 W138 D155 G205 C206 Y207 | R114-V150 HydrophobicContact CB-CG1 4.5Å; F117-V150 HydrophobicContact CB-CG1 3.86Å; F117-V150 HydrophobicContact CB-CG2 3.79Å; T118-V150 WeakPolarHBondContact OG1-CG1 3.04Å; L121-V150 HydrophobicContact CB-CG2 4.16Å; L121-V150 HydrophobicContact CD2-CG2 3.74Å; W138-V150 HydrophobicContact CZ2-CG2 4.2Å; V150-D155 WeakPolarHBondContact CA-OD2 2.99Å; V150-D155 PolarHBondContact N-OD2 2.97Å; V150-G205 CarbonylContact O-C 3.59Å; V150-G205 VanDerWaalsContact O-C 3.31Å; V150-G205 VanDerWaalsContact O-CA 3.29Å; V150-G205 WeakPolarHBondContact O-CA 3.43Å; V150-C206 PolarHBondContact O-N 2.02Å; V150-Y207 HydrophobicContact CG1-CD2 4.45Å; V150-Y207 HydrophobicContact CG1-CG 4.42Å; V150-Y207 VanDerWaalsContact O-CB 3.29Å; V150-Y207 WeakPolarHBondContact O-CB 3.3Å; V150-Y207 PolarHBondContact O-N 2.67Å; V150-Y207 VanDerWaalsContact O-N 3.13Å |
| 151 | N | 91.4 | Very high | 81.1 | Confident | 68 Ų | 68 | 46.1 Ų | 46.1 | 36% | 0.364 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -102.6 | -32 | -179.2 | -52.8 | -65.7 | 0 | 0 | 0 | 112 | R114 T118 D155 G205 | R114-N151 WeakPolarHBondContact CD-OD1 3.09Å; T118-N151 PolarHBondContact OG1-ND2 2.9Å; N151-D155 PolarHBondContact N-OD2 3.42Å; N151-D155 PolarHBondContact ND2-OD1 2.77Å; N151-G205 VanDerWaalsContact O-CA 3.24Å; N151-G205 WeakPolarHBondContact O-CA 3.34Å; N151-G205 PolarHBondContact O-N 3.48Å |
| 152 | G | 90.4 | Very high | 79.3 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | 170 | -175.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C148 E154 D155 | C148-G152 CarbonylContact O-C 3.6Å; C148-G152 VanDerWaalsContact O-C 3.3Å; C148-G152 WeakPolarHBondContact O-CA 3.37Å; C148-G152 PolarHBondContact O-N 3Å; G152-E154 WeakPolarHBondContact CA-OE2 3.15Å; G152-E154 PolarHBondContact O-N 3.27Å; G152-E154 VanDerWaalsContact O-N 3.17Å; G152-D155 PolarHBondContact O-N 3.29Å | ||
| 153 | P | 86.8 | Confident | 77.4 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | -36.8 | 173.1 | -30.3 | 36.4 | 0 | 0 | 0 | 115.5 | D155 F156 T171 Q201 | P153-D155 PolarHBondContact O-N 2.97Å; P153-D155 VanDerWaalsContact O-N 3.17Å; P153-F156 PolarHBondContact O-N 2.03Å; P153-T171 HydrophobicContact CB-CG2 4.28Å; P153-Q201 HydrophobicContact CG-CG 4.25Å |
| 154 | E | 85.9 | Confident | 75.7 | Confident | 85 Ų | 85 | 59.5 Ų | 59.5 | 40% | 0.397 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.2 | -19.9 | -168 | -54.2 | 76.1 | -162.5 | 0 | 0 | 110.9 | G152 F156 E157 R203 | G152-E154 WeakPolarHBondContact CA-OE2 3.15Å; G152-E154 PolarHBondContact O-N 3.27Å; G152-E154 VanDerWaalsContact O-N 3.17Å; E154-F156 PolarHBondContact O-N 3.48Å; E154-F156 VanDerWaalsContact O-N 3.17Å; E154-E157 PolarHBondContact O-N 3.28Å; E154-R203 IonicContact OE1-NH1 2.68Å; E154-R203 PolarHBondContact OE1-NH1 2.75Å |
| 155 | D | 86.3 | Confident | 74 | Confident | 13 Ų | 13 | 57.8 Ų | 57.8 | 7% | 0.07 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58 | -28.6 | 172.8 | -71.7 | -31.1 | 0 | 0 | 0 | 111.9 | L121 K122 V150 N151 G152 P153 T158 | L121-D155 HydrophobicContact CD2-CB 4.08Å; K122-D155 WeakPolarHBondContact CE-O 3.29Å; V150-D155 WeakPolarHBondContact CA-OD2 2.99Å; V150-D155 PolarHBondContact N-OD2 2.97Å; N151-D155 PolarHBondContact N-OD2 3.42Å; N151-D155 PolarHBondContact ND2-OD1 2.77Å; G152-D155 PolarHBondContact O-N 3.29Å; P153-D155 PolarHBondContact O-N 2.97Å; P153-D155 VanDerWaalsContact O-N 3.17Å; D155-T158 PolarHBondContact O-OG1 3.37Å; D155-T158 VanDerWaalsContact O-OG1 3.14Å |
| 156 | F | 82.4 | Confident | 72.2 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -95.7 | -15.2 | 179 | -54.9 | -82.7 | 0 | 0 | 0 | 115 | L121 Y125 M142 G149 P153 E154 T158 L159 P172 | L121-F156 HydrophobicContact CD1-CE1 3.75Å; L121-F156 HydrophobicContact CD1-CZ 4.08Å; L121-F156 HydrophobicContact CD2-CE1 4.18Å; L121-F156 HydrophobicContact CD2-CZ 4.03Å; L121-F156 HydrophobicContact CG-CE1 4.33Å; Y125-F156 HydrophobicContact CD1-CD1 4.04Å; Y125-F156 AromaticContact CD1-CE1 3.67Å; Y125-F156 HydrophobicContact CD1-CE1 3.67Å; Y125-F156 HydrophobicContact CD2-CE1 4.47Å; Y125-F156 AromaticContact CE1-CD1 3.99Å; Y125-F156 HydrophobicContact CE1-CD1 3.99Å; Y125-F156 AromaticContact CE1-CE1 3.58Å; Y125-F156 HydrophobicContact CE1-CE1 3.58Å; Y125-F156 HydrophobicContact CE2-CE1 4.41Å; Y125-F156 HydrophobicContact CG-CE1 4.12Å; Y125-F156 AromaticContact CZ-CE1 3.98Å; M142-F156 HydrophobicContact CE-CZ 3.99Å; M142-F156 HydrophobicContact SD-CE2 3.91Å; M142-F156 HydrophobicContact SD-CZ 3.69Å; G149-F156 VanDerWaalsContact CA-CE2 3.48Å; P153-F156 PolarHBondContact O-N 2.03Å; E154-F156 PolarHBondContact O-N 3.48Å; E154-F156 VanDerWaalsContact O-N 3.17Å; F156-T158 PolarHBondContact O-N 3.48Å; F156-L159 HydrophobicContact CB-CD1 4.5Å; F156-L159 HydrophobicContact CD1-CD1 3.75Å; F156-L159 WeakPolarHBondContact O-CB 3.36Å; F156-L159 PolarHBondContact O-N 3.13Å; F156-P172 HydrophobicContact CD1-CG 3.67Å; F156-P172 HydrophobicContact CD2-CG 3.93Å; F156-P172 HydrophobicContact CE1-CG 3.7Å; F156-P172 HydrophobicContact CE2-CG 3.91Å; F156-P172 HydrophobicContact CG-CG 3.81Å; F156-P172 HydrophobicContact CZ-CG 3.82Å |
| 157 | E | 71.3 | Confident | 70.2 | Confident | 100 Ų | 100 | 64.3 Ų | 64.3 | 47% | 0.467 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.1 | -28.6 | 173.2 | -66 | 179.5 | 178 | 0 | 0 | 111.1 | E154 L159 S160 | E154-E157 PolarHBondContact O-N 3.28Å; E157-L159 PolarHBondContact O-N 3.17Å; E157-S160 PolarHBondContact O-OG 2.89Å |
| 158 | T | 58.5 | Low | 68.3 | Low | 80 Ų | 80 | 70.7 Ų | 70.7 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -10.7 | 173.5 | 52.2 | 0 | 0 | 0 | 0 | 114.4 | K122 D155 F156 | K122-T158 VanDerWaalsContact CE-OG1 3.24Å; K122-T158 WeakPolarHBondContact CE-OG1 3.46Å; K122-T158 PolarHBondContact NZ-OG1 2.99Å; D155-T158 PolarHBondContact O-OG1 3.37Å; D155-T158 VanDerWaalsContact O-OG1 3.14Å; F156-T158 PolarHBondContact O-N 3.48Å |
| 159 | L | 58.3 | Low | 66.6 | Low | 53 Ų | 53 | 74 Ų | 74 | 28% | 0.277 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -10 | 178.4 | -69.9 | 167.6 | 0 | 0 | 0 | 112.9 | K122 Y125 F156 E157 H161 | K122-L159 HydrophobicContact CB-CD2 4.38Å; K122-L159 VanDerWaalsContact O-CD2 3.3Å; K122-L159 WeakPolarHBondContact O-CD2 3.41Å; Y125-L159 HydrophobicContact CD1-CD1 4.46Å; F156-L159 HydrophobicContact CB-CD1 4.5Å; F156-L159 HydrophobicContact CD1-CD1 3.75Å; F156-L159 WeakPolarHBondContact O-CB 3.36Å; F156-L159 PolarHBondContact O-N 3.13Å; E157-L159 PolarHBondContact O-N 3.17Å; L159-H161 PolarHBondContact O-N 2.89Å |
| 160 | S | 52.4 | Low | 65.4 | Low | 64 Ų | 64 | 75.4 Ų | 75.4 | 45% | 0.448 | 41% | 0.405 | S | S | . | . | trans | -80.8 | 12.9 | -178.1 | 61.7 | 0 | 0 | 0 | 0 | 114.8 | E157 D162 | E157-S160 PolarHBondContact O-OG 2.89Å; S160-D162 VanDerWaalsContact C-N 3.26Å; S160-D162 PolarHBondContact O-N 3.07Å | ||
| 161 | H | 48.6 | Very low | 64.6 | Low | 179 Ų | 179 | 75.3 Ų | 75.3 | 83% | 0.829 | 41% | 0.405 | S | S | * | . | trans | -90.7 | 26.5 | 170.9 | -86.9 | -60.2 | 0 | 0 | 0 | 112.8 | L159 P163 | L159-H161 PolarHBondContact O-N 2.89Å; H161-P163 WeakPolarHBondContact O-CD 3.31Å | ||
| 162 | D | 51 | Low | 64.2 | Low | 89 Ų | 89 | 72.4 Ų | 72.4 | 48% | 0.476 | 39% | 0.39 | S | S | . | . | trans | -82.4 | 114.5 | 164.4 | -167.7 | -18.1 | 0 | 0 | 0 | 109.1 | S160 H164 S165 | S160-D162 VanDerWaalsContact C-N 3.26Å; S160-D162 PolarHBondContact O-N 3.07Å; D162-H164 PolarHBondContact O-N 3.39Å; D162-H164 IonicContact OD1-CD2 4Å; D162-H164 PolarHBondContact OD1-N 3.47Å; D162-H164 VanDerWaalsContact OD1-N 3.15Å; D162-S165 PolarHBondContact O-N 3.16Å; D162-S165 VanDerWaalsContact O-N 3.13Å | ||
| 163 | P | 48.6 | Very low | 63.9 | Low | 119 Ų | 119 | 76 Ų | 76 | 77% | 0.773 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -5.5 | -179.2 | 26.1 | -34 | 0 | 0 | 0 | 114.3 | H161 | H161-P163 WeakPolarHBondContact O-CD 3.31Š|
| 164 | H | 49.5 | Very low | 63.8 | Low | 170 Ų | 170 | 76.3 Ų | 76.3 | 79% | 0.787 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -3.3 | 176.4 | -65.3 | -63.5 | 0 | 0 | 0 | 114.7 | D162 | D162-H164 PolarHBondContact O-N 3.39Å; D162-H164 IonicContact OD1-CD2 4Å; D162-H164 PolarHBondContact OD1-N 3.47Å; D162-H164 VanDerWaalsContact OD1-N 3.15Å |
| 165 | S | 48.3 | Very low | 63.9 | Low | 53 Ų | 53 | 72.3 Ų | 72.3 | 37% | 0.371 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -88.5 | 132.2 | 176.6 | -169.6 | 0 | 0 | 0 | 0 | 110.5 | D162 L167 | D162-S165 PolarHBondContact O-N 3.16Å; D162-S165 VanDerWaalsContact O-N 3.13Å; S165-L167 PolarHBondContact O-N 2.93Å |
| 166 | P | 48.8 | Very low | 64 | Low | 95 Ų | 95 | 71.8 Ų | 71.8 | 62% | 0.617 | 39% | 0.388 | S | S | * | . | trans | -57.5 | 138 | 172.4 | 23.4 | -30.3 | 0 | 0 | 0 | 109.7 | E168 | P166-E168 PolarHBondContact O-N 3.1Š| ||
| 167 | L | 48.1 | Very low | 64.2 | Low | 182 Ų | 182 | 75.1 Ų | 75.1 | 95% | 0.953 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 18.1 | -173.5 | -165.1 | 76.7 | 0 | 0 | 0 | 115 | S165 | S165-L167 PolarHBondContact O-N 2.93Š|
| 168 | E | 51.5 | Low | 64.8 | Low | 134 Ų | 134 | 74.8 Ų | 74.8 | 63% | 0.626 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.3 | -9.8 | -164.1 | -74.2 | -169.4 | 126.1 | 0 | 0 | 116.3 | P166 | P166-E168 PolarHBondContact O-N 3.1Š|
| 169 | E | 56.4 | Low | 65.6 | Low | 70 Ų | 70 | 75.5 Ų | 75.5 | 33% | 0.327 | 40% | 0.395 | S | S | . | . | trans | -117.3 | 99 | -178.4 | -63.5 | -169.2 | 164.2 | 0 | 0 | 113.2 | R127 L194 | R127-E169 PolarHBondContact NH1-O 2.87Å; E169-L194 CarbonylContact C-O 3.3Å; E169-L194 WeakPolarHBondContact CA-O 3.4Å; E169-L194 HydrophobicContact CG-CB 4.18Å | ||
| 170 | A | 65.6 | Low | 65.7 | Low | 28 Ų | 28 | 81.6 Ų | 81.6 | 23% | 0.231 | 43% | 0.428 | C | S | . | . | trans | -73.8 | -30.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R127 L194 | R127-A170 PolarHBondContact NH1-O 2.86Å; R127-A170 PolarHBondContact NH2-O 2.7Å; A170-L194 PolarHBondContact N-O 2.93Å | ||
| 171 | T | 75.6 | Confident | 65.9 | Low | 0 Ų | 0 | 87.2 Ų | 87.2 | 0% | 0 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -138.2 | 144.4 | -164.4 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | P153 C193 Q201 | P153-T171 HydrophobicContact CB-CG2 4.28Å; T171-C193 PolarHBondContact OG1-O 3.47Å; T171-Q201 VanDerWaalsContact CB-NE2 3.29Å |
| 172 | P | 84.2 | Confident | 65.7 | Low | 7 Ų | 7 | 82 Ų | 82 | 5% | 0.045 | 43% | 0.428 | C | S | . | . | trans | -72.4 | 150.8 | -177.3 | -6.5 | 24.7 | 0 | 0 | 0 | 111.2 | Y125 F156 A174 C175 | Y125-P172 HydrophobicContact CE1-CB 4.38Å; Y125-P172 HydrophobicContact CE1-CG 3.98Å; Y125-P172 WeakPolarHBondContact OH-CB 3.43Å; F156-P172 HydrophobicContact CD1-CG 3.67Å; F156-P172 HydrophobicContact CD2-CG 3.93Å; F156-P172 HydrophobicContact CE1-CG 3.7Å; F156-P172 HydrophobicContact CE2-CG 3.91Å; F156-P172 HydrophobicContact CG-CG 3.81Å; F156-P172 HydrophobicContact CZ-CG 3.82Å; P172-A174 PolarHBondContact O-N 2.88Å; P172-A174 VanDerWaalsContact O-N 3.11Å; P172-C175 WeakPolarHBondContact O-CB 3.25Å; P172-C175 PolarHBondContact O-N 3.35Å | ||
| 173 | E | 83.6 | Confident | 65.4 | Low | 75 Ų | 75 | 90.3 Ų | 90.3 | 35% | 0.35 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -55.8 | -31.5 | 179.3 | 178.8 | 169.1 | -176.3 | 0 | 0 | 113.3 | C175 C176 F187 K190 L194 | E173-C175 PolarHBondContact O-N 3.47Å; E173-C176 WeakPolarHBondContact O-CB 3.47Å; E173-C176 PolarHBondContact O-N 3.28Å; E173-C176 VanDerWaalsContact O-N 3.08Å; E173-F187 HydrophobicContact CG-CE1 3.73Å; E173-F187 HydrophobicContact CG-CE2 4.03Å; E173-F187 HydrophobicContact CG-CZ 3.28Å; E173-F187 WeakPolarHBondContact O-CE1 3.47Å; E173-F187 WeakPolarHBondContact OE1-CE2 3.35Å; E173-F187 WeakPolarHBondContact OE1-CZ 3.44Å; E173-K190 VanDerWaalsContact CD-CE 3.46Å; E173-K190 WeakPolarHBondContact OE1-CE 3.37Å; E173-K190 IonicContact OE1-NZ 2.67Å; E173-K190 PolarHBondContact OE1-NZ 2.9Å; E173-K190 WeakPolarHBondContact OE2-CE 3.29Å; E173-K190 IonicContact OE2-NZ 3.71Å; E173-K190 PolarHBondContact OE2-NZ 2.96Å; E173-L194 HydrophobicContact CB-CD2 4.34Å |
| 174 | A | 84.4 | Confident | 65.7 | Low | 7 Ų | 7 | 92.2 Ų | 92.2 | 6% | 0.058 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -62.7 | -20.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | N139 M142 I143 P172 C176 | N139-A174 HydrophobicContact CB-CB 3.82Å; M142-A174 HydrophobicContact CB-CB 4.14Å; M142-A174 HydrophobicContact CE-CB 3.86Å; I143-A174 HydrophobicContact CD1-CB 4.13Å; I143-A174 HydrophobicContact CG1-CB 3.98Å; P172-A174 PolarHBondContact O-N 2.88Å; P172-A174 VanDerWaalsContact O-N 3.11Å; A174-C176 VanDerWaalsContact C-N 3.35Å |
| 175 | C | 88.6 | Confident | 66.1 | Low | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -83.5 | -8.9 | 175.6 | -72.7 | 0 | 0 | 0 | 0 | 114 | M142 C148 P172 E173 Q201 N202 | M142-C175 PolarHBondContact SD-SG 3.1Å; C148-C175 VanDerWaalsContact CA-SG 3.51Å; C148-C175 HydrophobicContact CB-CB 3.61Å; C148-C175 WeakPolarHBondContact CB-SG 3.41Å; C148-C175 WeakPolarHBondContact SG-CB 3.36Å; C148-C175 CovalentContact SG-SG 2.02Å; C148-C175 PolarHBondContact SG-SG 3.22Å; P172-C175 WeakPolarHBondContact O-CB 3.25Å; P172-C175 PolarHBondContact O-N 3.35Å; E173-C175 PolarHBondContact O-N 3.47Å; C175-Q201 HydrophobicContact CB-CG 4Å; C175-Q201 WeakPolarHBondContact O-CG 3.48Å; C175-N202 PolarHBondContact O-N 3.43Å |
| 176 | C | 88.5 | Confident | 67.2 | Low | 2 Ų | 2 | 88.2 Ų | 88.2 | 1% | 0.014 | 44% | 0.435 | C | S | . | . | B | Isolated β-bridge | trans | -76.4 | 141.4 | -176.5 | -60.9 | 0 | 0 | 0 | 0 | 112 | E173 A174 R178 F187 C193 | E173-C176 WeakPolarHBondContact O-CB 3.47Å; E173-C176 PolarHBondContact O-N 3.28Å; E173-C176 VanDerWaalsContact O-N 3.08Å; A174-C176 VanDerWaalsContact C-N 3.35Å; C176-R178 PolarHBondContact O-N 2.9Å; C176-F187 HydrophobicContact CB-CD1 3.51Å; C176-F187 HydrophobicContact CB-CE1 3.76Å; C176-C193 WeakPolarHBondContact CA-SG 3.22Å; C176-C193 HydrophobicContact CB-CB 3.78Å; C176-C193 WeakPolarHBondContact CB-SG 3.44Å; C176-C193 WeakPolarHBondContact SG-CB 3.43Å; C176-C193 CovalentContact SG-SG 2.02Å; C176-C193 PolarHBondContact SG-SG 3.48Å |
| 177 | Q | 87.4 | Confident | 68.5 | Low | 70 Ų | 70 | 85.9 Ų | 85.9 | 33% | 0.327 | 42% | 0.415 | S | S | . | . | trans | -65.6 | 134.1 | 176.8 | -72.6 | 178.4 | 6.7 | 0 | 0 | 110.7 | V188 R199 F200 Q201 N202 | Q177-V188 HydrophobicContact CB-CG2 4.18Å; Q177-V188 PolarHBondContact O-N 3.27Å; Q177-V188 VanDerWaalsContact O-N 3.1Å; Q177-R199 PolarHBondContact NE2-O 3.27Å; Q177-R199 PolarHBondContact OE1-O 3.23Å; Q177-F200 PolarHBondContact N-O 2.92Å; Q177-Q201 PolarHBondContact NE2-O 3.29Å; Q177-N202 WeakPolarHBondContact CG-OD1 3.29Å | ||
| 178 | R | 82.4 | Confident | 70 | Confident | 93 Ų | 93 | 80.3 Ų | 80.3 | 35% | 0.351 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -111.6 | 138.4 | 176.9 | -64 | 177.3 | -177.6 | -106.8 | 6.6 | 109.8 | C176 L180 G185 F187 | C176-R178 PolarHBondContact O-N 2.9Å; R178-L180 PolarHBondContact O-N 3.09Å; R178-G185 PolarHBondContact NH1-O 2.88Å; R178-F187 HydrophobicContact CG-CD1 4.13Å; R178-F187 HydrophobicContact CG-CE1 4.16Å; R178-F187 VanDerWaalsContact CZ-CZ 3.48Å; R178-F187 VanDerWaalsContact NH2-CZ 3.33Å |
| 179 | Q | 75 | Confident | 71.5 | Confident | 95 Ų | 95 | 76.3 Ų | 76.3 | 44% | 0.444 | 37% | 0.372 | S | S | . | . | trans | -77 | 112.3 | 177.3 | -170.1 | 83 | -2.7 | 0 | 0 | 109.4 | Q181 M186 V188 | Q179-Q181 PolarHBondContact O-N 3.4Å; Q179-M186 PolarHBondContact N-O 3.47Å; Q179-V188 HydrophobicContact CB-CG2 4.42Å | ||
| 180 | L | 60.8 | Low | 72.8 | Confident | 182 Ų | 182 | 77.1 Ų | 77.1 | 95% | 0.953 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -14.2 | -179.5 | -91 | 122.4 | 0 | 0 | 0 | 114.9 | R178 | R178-L180 PolarHBondContact O-N 3.09Š|
| 181 | Q | 57 | Low | 73.6 | Confident | 182 Ų | 182 | 82.4 Ų | 82.4 | 85% | 0.85 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -9.6 | -173.6 | -84.7 | -163.4 | -2.2 | 0 | 0 | 115.8 | Q179 | Q179-Q181 PolarHBondContact O-N 3.4Š|
| 182 | T | 44.3 | Very low | 74 | Confident | 70 Ų | 70 | 84.6 Ų | 84.6 | 43% | 0.429 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -108.6 | 131.2 | -178.2 | -40 | 0 | 0 | 0 | 0 | 109.3 | E184 G185 | T182-E184 PolarHBondContact O-N 3.43Å; T182-G185 PolarHBondContact O-N 3.04Å; T182-G185 VanDerWaalsContact O-N 3.08Å |
| 183 | R | 45.5 | Very low | 74.1 | Confident | 262 Ų | 262 | 84.3 Ų | 84.3 | 99% | 0.989 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -7.1 | -175.8 | -97.2 | -174.6 | 177.1 | -175.7 | -1 | 116.2 | ||
| 184 | E | 53.7 | Low | 74 | Confident | 160 Ų | 160 | 81.5 Ų | 81.5 | 75% | 0.748 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | 6.5 | -175.3 | -67.5 | -179.1 | 152 | 0 | 0 | 114.3 | T182 M186 | T182-E184 PolarHBondContact O-N 3.43Å; E184-M186 VanDerWaalsContact C-N 3.26Å; E184-M186 HydrophobicContact CB-CG 4.33Å; E184-M186 PolarHBondContact O-N 3.02Å |
| 185 | G | 59.1 | Low | 73.8 | Confident | 26 Ų | 26 | 88.5 Ų | 88.5 | 27% | 0.268 | 42% | 0.416 | S | S | . | . | trans | 58.4 | 36.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114 | R178 T182 | R178-G185 PolarHBondContact NH1-O 2.88Å; T182-G185 PolarHBondContact O-N 3.04Å; T182-G185 VanDerWaalsContact O-N 3.08Å | ||
| 186 | M | 70.5 | Confident | 73.3 | Confident | 113 Ų | 113 | 89.6 Ų | 89.6 | 56% | 0.557 | 43% | 0.428 | S | S | * | . | trans | -64.2 | 143.1 | -179.5 | -63.8 | -145.1 | -65.6 | 0 | 0 | 111.3 | Q179 E184 | Q179-M186 PolarHBondContact N-O 3.47Å; E184-M186 VanDerWaalsContact C-N 3.26Å; E184-M186 HydrophobicContact CB-CG 4.33Å; E184-M186 PolarHBondContact O-N 3.02Å | ||
| 187 | F | 76.7 | Confident | 73 | Confident | 46 Ų | 46 | 92.4 Ų | 92.4 | 20% | 0.202 | 44% | 0.444 | C | S | . | . | B | Isolated β-bridge | trans | -62.3 | 143 | 173.8 | -62.6 | -77.8 | 0 | 0 | 0 | 110.5 | E173 C176 R178 K190 | E173-F187 HydrophobicContact CG-CE1 3.73Å; E173-F187 HydrophobicContact CG-CE2 4.03Å; E173-F187 HydrophobicContact CG-CZ 3.28Å; E173-F187 WeakPolarHBondContact O-CE1 3.47Å; E173-F187 WeakPolarHBondContact OE1-CE2 3.35Å; E173-F187 WeakPolarHBondContact OE1-CZ 3.44Å; C176-F187 HydrophobicContact CB-CD1 3.51Å; C176-F187 HydrophobicContact CB-CE1 3.76Å; R178-F187 HydrophobicContact CG-CD1 4.13Å; R178-F187 HydrophobicContact CG-CE1 4.16Å; R178-F187 VanDerWaalsContact CZ-CZ 3.48Å; R178-F187 VanDerWaalsContact NH2-CZ 3.33Å; F187-K190 HydrophobicContact CB-CB 4.02Å; F187-K190 HydrophobicContact CD2-CB 4.31Å; F187-K190 HydrophobicContact CD2-CD 4.11Å; F187-K190 HydrophobicContact CD2-CG 4.47Å; F187-K190 HydrophobicContact CE2-CD 4.34Å; F187-K190 HydrophobicContact CG-CB 4.19Å |
| 188 | V | 79.9 | Confident | 72.8 | Confident | 65 Ų | 65 | 95.1 Ų | 95.1 | 39% | 0.394 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -63.2 | -48.9 | 174 | 178.5 | 0 | 0 | 0 | 0 | 110 | Q177 Q179 F200 | Q177-V188 HydrophobicContact CB-CG2 4.18Å; Q177-V188 PolarHBondContact O-N 3.27Å; Q177-V188 VanDerWaalsContact O-N 3.1Å; Q179-V188 HydrophobicContact CB-CG2 4.42Å; V188-F200 HydrophobicContact CB-CD1 4.28Å; V188-F200 HydrophobicContact CG1-CD1 3.79Å; V188-F200 HydrophobicContact CG1-CE1 3.89Å |
| 189 | N | 82.4 | Confident | 72.9 | Confident | 50 Ų | 50 | 100.4 Ų | 100.4 | 27% | 0.267 | 48% | 0.477 | S | S | . | . | trans | -157.6 | 104.2 | 171 | -171.5 | -26 | 0 | 0 | 0 | 108.9 | E191 D192 C193 F200 | N189-E191 PolarHBondContact OD1-N 3.06Å; N189-D192 HydrophobicContact CB-CB 4.45Å; N189-D192 PolarHBondContact ND2-OD2 2.83Å; N189-D192 PolarHBondContact OD1-N 3.01Å; N189-C193 VanDerWaalsContact O-CB 3.25Å; N189-C193 WeakPolarHBondContact O-CB 3.39Å; N189-C193 PolarHBondContact O-N 3.27Å; N189-F200 HydrophobicContact CB-CD1 3.62Å; N189-F200 HydrophobicContact CB-CD2 4.23Å; N189-F200 HydrophobicContact CB-CE1 3.63Å; N189-F200 HydrophobicContact CB-CE2 4.22Å; N189-F200 HydrophobicContact CB-CG 3.92Å; N189-F200 HydrophobicContact CB-CZ 3.94Å | ||
| 190 | K | 82.9 | Confident | 73.4 | Confident | 86 Ų | 86 | 97.7 Ų | 97.7 | 37% | 0.374 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -70.2 | -44.7 | -174.5 | -179.4 | 171.5 | 176 | 164.6 | 0 | 111.6 | E173 F187 C193 L194 | E173-K190 VanDerWaalsContact CD-CE 3.46Å; E173-K190 WeakPolarHBondContact OE1-CE 3.37Å; E173-K190 IonicContact OE1-NZ 2.67Å; E173-K190 PolarHBondContact OE1-NZ 2.9Å; E173-K190 WeakPolarHBondContact OE2-CE 3.29Å; E173-K190 IonicContact OE2-NZ 3.71Å; E173-K190 PolarHBondContact OE2-NZ 2.96Å; F187-K190 HydrophobicContact CB-CB 4.02Å; F187-K190 HydrophobicContact CD2-CB 4.31Å; F187-K190 HydrophobicContact CD2-CD 4.11Å; F187-K190 HydrophobicContact CD2-CG 4.47Å; F187-K190 HydrophobicContact CE2-CD 4.34Å; F187-K190 HydrophobicContact CG-CB 4.19Å; K190-C193 PolarHBondContact O-N 2.97Å; K190-L194 HydrophobicContact CD-CD1 4.4Å; K190-L194 HydrophobicContact CG-CD1 3.7Å; K190-L194 HydrophobicContact CG-CG 4.29Å; K190-L194 VanDerWaalsContact O-CG 3.25Å; K190-L194 WeakPolarHBondContact O-CG 3.41Å; K190-L194 PolarHBondContact O-N 3.41Å |
| 191 | E | 82.9 | Confident | 74.7 | Confident | 139 Ų | 139 | 89.3 Ų | 89.3 | 65% | 0.65 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -64.3 | -48 | -175.4 | -65.3 | 171.9 | -169.8 | 0 | 0 | 111.7 | N189 C193 L194 R195 | N189-E191 PolarHBondContact OD1-N 3.06Å; E191-C193 VanDerWaalsContact C-N 3.33Å; E191-C193 PolarHBondContact O-N 3.42Å; E191-L194 PolarHBondContact O-N 3.39Å; E191-R195 WeakPolarHBondContact O-CG 3Å; E191-R195 PolarHBondContact O-N 2.94Å; E191-R195 VanDerWaalsContact O-N 3.16Å |
| 192 | D | 83.8 | Confident | 76.2 | Confident | 47 Ų | 47 | 81.7 Ų | 81.7 | 25% | 0.251 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -69 | -33.6 | 178.2 | -73.3 | -23.9 | 0 | 0 | 0 | 111.9 | N189 R195 G196 V197 F200 | N189-D192 HydrophobicContact CB-CB 4.45Å; N189-D192 PolarHBondContact ND2-OD2 2.83Å; N189-D192 PolarHBondContact OD1-N 3.01Å; D192-R195 PolarHBondContact O-N 3.47Å; D192-G196 PolarHBondContact O-N 2.98Å; D192-V197 HydrophobicContact CB-CB 4.07Å; D192-V197 HydrophobicContact CB-CG2 3.95Å; D192-V197 WeakPolarHBondContact O-CB 3.32Å; D192-V197 VanDerWaalsContact O-CG2 3.27Å; D192-V197 WeakPolarHBondContact O-CG2 3.22Å; D192-V197 PolarHBondContact O-N 3.24Å; D192-F200 HydrophobicContact CB-CD2 3.45Å; D192-F200 VanDerWaalsContact CB-CD2 3.45Å; D192-F200 HydrophobicContact CB-CE2 3.63Å; D192-F200 HydrophobicContact CB-CG 4.4Å |
| 193 | C | 85.8 | Confident | 78.3 | Confident | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.6 | -48.1 | 174 | 174.3 | 0 | 0 | 0 | 0 | 112 | T171 C176 N189 K190 E191 R195 G196 F200 | T171-C193 PolarHBondContact OG1-O 3.47Å; C176-C193 WeakPolarHBondContact CA-SG 3.22Å; C176-C193 HydrophobicContact CB-CB 3.78Å; C176-C193 WeakPolarHBondContact CB-SG 3.44Å; C176-C193 WeakPolarHBondContact SG-CB 3.43Å; C176-C193 CovalentContact SG-SG 2.02Å; C176-C193 PolarHBondContact SG-SG 3.48Å; N189-C193 VanDerWaalsContact O-CB 3.25Å; N189-C193 WeakPolarHBondContact O-CB 3.39Å; N189-C193 PolarHBondContact O-N 3.27Å; K190-C193 PolarHBondContact O-N 2.97Å; E191-C193 VanDerWaalsContact C-N 3.33Å; E191-C193 PolarHBondContact O-N 3.42Å; C193-R195 PolarHBondContact O-N 3.46Å; C193-G196 WeakPolarHBondContact O-CA 3.34Å; C193-G196 PolarHBondContact O-N 3.36Å; C193-F200 HydrophobicContact CB-CB 3.94Å |
| 194 | L | 83 | Confident | 80.5 | Confident | 16 Ų | 16 | 76.5 Ų | 76.5 | 8% | 0.084 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.2 | -31.2 | -179.2 | -68.6 | 168.9 | 0 | 0 | 0 | 111.9 | E169 A170 E173 K190 E191 G196 | E169-L194 CarbonylContact C-O 3.3Å; E169-L194 WeakPolarHBondContact CA-O 3.4Å; E169-L194 HydrophobicContact CG-CB 4.18Å; A170-L194 PolarHBondContact N-O 2.93Å; E173-L194 HydrophobicContact CB-CD2 4.34Å; K190-L194 HydrophobicContact CD-CD1 4.4Å; K190-L194 HydrophobicContact CG-CD1 3.7Å; K190-L194 HydrophobicContact CG-CG 4.29Å; K190-L194 VanDerWaalsContact O-CG 3.25Å; K190-L194 WeakPolarHBondContact O-CG 3.41Å; K190-L194 PolarHBondContact O-N 3.41Å; E191-L194 PolarHBondContact O-N 3.39Å; L194-G196 PolarHBondContact O-N 3.33Å |
| 195 | R | 80.4 | Confident | 82.4 | Confident | 154 Ų | 154 | 69 Ų | 69 | 58% | 0.581 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -3.4 | 170.7 | -72.8 | 177.5 | 175.4 | 167.2 | 0.3 | 114.6 | E191 D192 C193 | E191-R195 WeakPolarHBondContact O-CG 3Å; E191-R195 PolarHBondContact O-N 2.94Å; E191-R195 VanDerWaalsContact O-N 3.16Å; D192-R195 PolarHBondContact O-N 3.47Å; C193-R195 PolarHBondContact O-N 3.46Å |
| 196 | G | 76.7 | Confident | 84 | Confident | 24 Ų | 24 | 67.8 Ų | 67.8 | 25% | 0.247 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 20.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D192 C193 L194 E198 | D192-G196 PolarHBondContact O-N 2.98Å; C193-G196 WeakPolarHBondContact O-CA 3.34Å; C193-G196 PolarHBondContact O-N 3.36Å; L194-G196 PolarHBondContact O-N 3.33Å; G196-E198 PolarHBondContact O-N 3.35Å; G196-E198 VanDerWaalsContact O-N 3.12Å |
| 197 | V | 83.4 | Confident | 85 | Confident | 60 Ų | 60 | 64.5 Ų | 64.5 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | trans | -69.3 | 113.4 | 175.9 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | D192 R199 F200 | D192-V197 HydrophobicContact CB-CB 4.07Å; D192-V197 HydrophobicContact CB-CG2 3.95Å; D192-V197 WeakPolarHBondContact O-CB 3.32Å; D192-V197 VanDerWaalsContact O-CG2 3.27Å; D192-V197 WeakPolarHBondContact O-CG2 3.22Å; D192-V197 PolarHBondContact O-N 3.24Å; V197-R199 HydrophobicContact CG1-CB 4.48Å; V197-R199 PolarHBondContact O-N 3.24Å; V197-F200 HydrophobicContact CB-CD2 4.08Å; V197-F200 HydrophobicContact CG1-CD2 3.81Å; V197-F200 HydrophobicContact CG1-CE2 4.09Å; V197-F200 PolarHBondContact O-N 3.23Å | ||
| 198 | E | 82.7 | Confident | 85.7 | Confident | 127 Ų | 127 | 64.8 Ų | 64.8 | 59% | 0.593 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -49.3 | -34.3 | -171.7 | -53.3 | -166.8 | 147.7 | 0 | 0 | 115 | G196 F200 R203 | G196-E198 PolarHBondContact O-N 3.35Å; G196-E198 VanDerWaalsContact O-N 3.12Å; E198-F200 VanDerWaalsContact C-N 3.29Å; E198-F200 PolarHBondContact O-N 3.33Å; E198-R203 IonicContact OE1-CZ 3.15Å; E198-R203 IonicContact OE1-NH2 3.84Å; E198-R203 PolarHBondContact OE1-NH2 2.94Å; E198-R203 IonicContact OE2-CZ 3.04Å; E198-R203 IonicContact OE2-NH2 3.53Å; E198-R203 PolarHBondContact OE2-NH2 3.13Å |
| 199 | R | 84.4 | Confident | 86.2 | Confident | 204 Ų | 204 | 62.8 Ų | 62.8 | 77% | 0.77 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -68.7 | -26.7 | -175.3 | -170.7 | 175.1 | -176.1 | 170.9 | 1.4 | 113.2 | Q177 V197 | Q177-R199 PolarHBondContact NE2-O 3.27Å; Q177-R199 PolarHBondContact OE1-O 3.23Å; V197-R199 HydrophobicContact CG1-CB 4.48Å; V197-R199 PolarHBondContact O-N 3.24Å |
| 200 | F | 86.3 | Confident | 86.5 | Confident | 39 Ų | 39 | 61.8 Ų | 61.8 | 17% | 0.171 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -103.2 | 5.8 | -174.5 | -58.3 | -69.2 | 0 | 0 | 0 | 113 | Q177 V188 N189 D192 C193 V197 E198 | Q177-F200 PolarHBondContact N-O 2.92Å; V188-F200 HydrophobicContact CB-CD1 4.28Å; V188-F200 HydrophobicContact CG1-CD1 3.79Å; V188-F200 HydrophobicContact CG1-CE1 3.89Å; N189-F200 HydrophobicContact CB-CD1 3.62Å; N189-F200 HydrophobicContact CB-CD2 4.23Å; N189-F200 HydrophobicContact CB-CE1 3.63Å; N189-F200 HydrophobicContact CB-CE2 4.22Å; N189-F200 HydrophobicContact CB-CG 3.92Å; N189-F200 HydrophobicContact CB-CZ 3.94Å; D192-F200 HydrophobicContact CB-CD2 3.45Å; D192-F200 VanDerWaalsContact CB-CD2 3.45Å; D192-F200 HydrophobicContact CB-CE2 3.63Å; D192-F200 HydrophobicContact CB-CG 4.4Å; C193-F200 HydrophobicContact CB-CB 3.94Å; V197-F200 HydrophobicContact CB-CD2 4.08Å; V197-F200 HydrophobicContact CG1-CD2 3.81Å; V197-F200 HydrophobicContact CG1-CE2 4.09Å; V197-F200 PolarHBondContact O-N 3.23Å; E198-F200 VanDerWaalsContact C-N 3.29Å; E198-F200 PolarHBondContact O-N 3.33Å |
| 201 | Q | 87.6 | Confident | 86.6 | Confident | 5 Ų | 5 | 61.2 Ų | 61.2 | 2% | 0.023 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -113.2 | 146.9 | -178 | -162.4 | -178.5 | 14.6 | 0 | 0 | 112.5 | C148 P153 T171 C175 Q177 R203 | C148-Q201 PolarHBondContact SG-NE2 3.22Å; P153-Q201 HydrophobicContact CG-CG 4.25Å; T171-Q201 VanDerWaalsContact CB-NE2 3.29Å; C175-Q201 HydrophobicContact CB-CG 4Å; C175-Q201 WeakPolarHBondContact O-CG 3.48Å; Q177-Q201 PolarHBondContact NE2-O 3.29Å; Q201-R203 PolarHBondContact O-N 2.76Å |
| 202 | N | 89.1 | Confident | 86.8 | Confident | 22 Ų | 22 | 59.7 Ų | 59.7 | 12% | 0.118 | 28% | 0.283 | C | S | . | . | trans | -69.6 | 113.9 | 166.6 | -67.1 | -30.4 | 0 | 0 | 0 | 109.5 | A146 C148 C175 Q177 | A146-N202 VanDerWaalsContact C-CG 3.45Å; A146-N202 VanDerWaalsContact C-ND2 3.31Å; A146-N202 WeakPolarHBondContact CA-ND2 3.49Å; A146-N202 WeakPolarHBondContact O-CB 3.38Å; A146-N202 VanDerWaalsContact O-CG 3.28Å; C148-N202 HydrophobicContact CB-CB 4.3Å; C148-N202 WeakPolarHBondContact CB-O 3.24Å; C175-N202 PolarHBondContact O-N 3.43Å; Q177-N202 WeakPolarHBondContact CG-OD1 3.29Å | ||
| 203 | R | 87.4 | Confident | 86.8 | Confident | 96 Ų | 96 | 59.2 Ų | 59.2 | 36% | 0.362 | 28% | 0.283 | S | S | . | . | trans | -87.4 | -21.6 | -173.5 | -126.2 | 56.1 | 155.6 | 82.7 | 23.6 | 114 | E154 E198 Q201 | E154-R203 IonicContact OE1-NH1 2.68Å; E154-R203 PolarHBondContact OE1-NH1 2.75Å; E198-R203 IonicContact OE1-CZ 3.15Å; E198-R203 IonicContact OE1-NH2 3.84Å; E198-R203 PolarHBondContact OE1-NH2 2.94Å; E198-R203 IonicContact OE2-CZ 3.04Å; E198-R203 IonicContact OE2-NH2 3.53Å; E198-R203 PolarHBondContact OE2-NH2 3.13Å; Q201-R203 PolarHBondContact O-N 2.76Å | ||
| 204 | Q | 91.6 | Very high | 86.7 | Confident | 127 Ų | 127 | 65.5 Ų | 65.5 | 59% | 0.593 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -78.4 | 130.6 | -177.3 | -63.1 | -176.3 | 15 | 0 | 0 | 110.3 | C147 C148 V209 | C147-Q204 CarbonylContact C-O 3.57Å; C147-Q204 WeakPolarHBondContact CA-O 3.29Å; C147-Q204 VanDerWaalsContact CB-O 3.3Å; C147-Q204 WeakPolarHBondContact CB-O 3.31Å; C148-Q204 PolarHBondContact N-O 2.73Å; Q204-V209 HydrophobicContact CB-CG2 3.85Å |
| 205 | G | 92.9 | Very high | 86.6 | Confident | 4 Ų | 4 | 71 Ų | 71 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | trans | -65.9 | 133 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V150 N151 Y207 T208 V209 | V150-G205 CarbonylContact O-C 3.59Å; V150-G205 VanDerWaalsContact O-C 3.31Å; V150-G205 VanDerWaalsContact O-CA 3.29Å; V150-G205 WeakPolarHBondContact O-CA 3.43Å; N151-G205 VanDerWaalsContact O-CA 3.24Å; N151-G205 WeakPolarHBondContact O-CA 3.34Å; N151-G205 PolarHBondContact O-N 3.48Å; G205-Y207 PolarHBondContact O-N 3.33Å; G205-T208 PolarHBondContact O-N 3.08Å; G205-T208 VanDerWaalsContact O-N 3.13Å; G205-T208 PolarHBondContact O-OG1 3.41Å; G205-V209 PolarHBondContact O-N 2.92Å | ||
| 206 | C | 93.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.6 | -31.5 | -176.3 | -67.1 | 0 | 0 | 0 | 0 | 113 | V141 C147 G149 V150 T208 V209 I210 | V141-C206 HydrophobicContact CG1-CB 4.38Å; C147-C206 HydrophobicContact CB-CB 3.88Å; C147-C206 WeakPolarHBondContact CB-SG 3.49Å; C147-C206 WeakPolarHBondContact SG-CA 3.34Å; C147-C206 WeakPolarHBondContact SG-CB 3.23Å; C147-C206 CovalentContact SG-SG 2.03Å; C147-C206 PolarHBondContact SG-SG 3.44Å; G149-C206 WeakPolarHBondContact O-CB 3.35Å; G149-C206 PolarHBondContact O-N 3.23Å; G149-C206 PolarHBondContact O-SG 2.95Å; G149-C206 VanDerWaalsContact O-SG 3.36Å; V150-C206 PolarHBondContact O-N 2.02Å; C206-T208 VanDerWaalsContact C-N 3.27Å; C206-T208 PolarHBondContact O-N 3.2Å; C206-V209 PolarHBondContact O-N 2.63Å; C206-I210 HydrophobicContact CB-CD1 3.95Å; C206-I210 WeakPolarHBondContact O-CB 3.36Å; C206-I210 WeakPolarHBondContact O-CD1 3.4Å; C206-I210 WeakPolarHBondContact O-CG1 3.35Å; C206-I210 PolarHBondContact O-N 2.96Å |
| 207 | Y | 92.2 | Very high | 87.2 | Confident | 44 Ų | 44 | 74.4 Ų | 74.4 | 17% | 0.173 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.1 | -42.3 | 178.2 | -172.6 | -93.4 | 0 | 0 | 0 | 112.3 | L112 R114 F117 V150 G205 L211 | L112-Y207 WeakPolarHBondContact O-CE2 3.13Å; L112-Y207 PolarHBondContact O-OH 3.11Å; R114-Y207 HydrophobicContact CG-CD1 3.25Å; R114-Y207 HydrophobicContact CG-CD2 4.1Å; R114-Y207 HydrophobicContact CG-CE1 3.34Å; R114-Y207 HydrophobicContact CG-CE2 4.2Å; R114-Y207 HydrophobicContact CG-CG 3.64Å; F117-Y207 AromaticContact CD2-CD2 3.77Å; F117-Y207 HydrophobicContact CD2-CD2 3.77Å; F117-Y207 AromaticContact CD2-CE2 3.73Å; F117-Y207 HydrophobicContact CD2-CE2 3.73Å; F117-Y207 HydrophobicContact CE2-CD2 4.18Å; F117-Y207 AromaticContact CE2-CE2 3.92Å; F117-Y207 HydrophobicContact CE2-CE2 3.92Å; V150-Y207 HydrophobicContact CG1-CD2 4.45Å; V150-Y207 HydrophobicContact CG1-CG 4.42Å; V150-Y207 VanDerWaalsContact O-CB 3.29Å; V150-Y207 WeakPolarHBondContact O-CB 3.3Å; V150-Y207 PolarHBondContact O-N 2.67Å; V150-Y207 VanDerWaalsContact O-N 3.13Å; G205-Y207 PolarHBondContact O-N 3.33Å; Y207-L211 HydrophobicContact CD1-CD1 3.69Å; Y207-L211 HydrophobicContact CD1-CG 4.27Å; Y207-L211 HydrophobicContact CE1-CD1 3.14Å; Y207-L211 HydrophobicContact CE1-CG 4.04Å; Y207-L211 HydrophobicContact CE2-CD1 4.46Å; Y207-L211 WeakPolarHBondContact O-CB 3.45Å; Y207-L211 VanDerWaalsContact O-CG 3.29Å; Y207-L211 WeakPolarHBondContact O-CG 3Å; Y207-L211 PolarHBondContact O-N 3.3Å |
| 208 | T | 90.5 | Very high | 87.3 | Confident | 51 Ų | 51 | 75.2 Ų | 75.2 | 31% | 0.313 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -70.7 | -46.2 | -179.2 | 57.9 | 0 | 0 | 0 | 0 | 112.6 | R114 G205 C206 I210 L211 N212 | R114-T208 VanDerWaalsContact NH2-CG2 3.34Å; G205-T208 PolarHBondContact O-N 3.08Å; G205-T208 VanDerWaalsContact O-N 3.13Å; G205-T208 PolarHBondContact O-OG1 3.41Å; C206-T208 VanDerWaalsContact C-N 3.27Å; C206-T208 PolarHBondContact O-N 3.2Å; T208-I210 VanDerWaalsContact C-N 3.33Å; T208-I210 PolarHBondContact O-N 2.96Å; T208-L211 PolarHBondContact O-N 3.12Å; T208-N212 WeakPolarHBondContact O-CB 2.89Å; T208-N212 PolarHBondContact O-N 2.02Å |
| 209 | V | 90.4 | Very high | 87.6 | Confident | 24 Ų | 24 | 78.2 Ų | 78.2 | 15% | 0.145 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.4 | -43.8 | -179.3 | -179 | 0 | 0 | 0 | 0 | 110.2 | F145 C147 Q204 G205 C206 S213 | F145-V209 HydrophobicContact CB-CG1 4.09Å; F145-V209 HydrophobicContact CD1-CG1 4.32Å; C147-V209 HydrophobicContact CB-CB 4.49Å; C147-V209 HydrophobicContact CB-CG2 4.14Å; Q204-V209 HydrophobicContact CB-CG2 3.85Å; G205-V209 PolarHBondContact O-N 2.92Å; C206-V209 PolarHBondContact O-N 2.63Å; V209-S213 WeakPolarHBondContact O-CB 3.44Å; V209-S213 PolarHBondContact O-N 2.89Å; V209-S213 PolarHBondContact O-OG 3.35Å |
| 210 | I | 88.8 | Confident | 87.9 | Confident | 29 Ų | 29 | 73.5 Ų | 73.5 | 15% | 0.149 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.9 | -47.9 | 178.9 | -69.5 | 168.8 | 0 | 0 | 0 | 110.5 | V141 F145 C206 T208 N212 S213 F214 | V141-I210 HydrophobicContact CG1-CD1 3.55Å; F145-I210 HydrophobicContact CD2-CG1 4.14Å; F145-I210 HydrophobicContact CE2-CG1 4.34Å; F145-I210 HydrophobicContact CG-CG1 4.26Å; C206-I210 HydrophobicContact CB-CD1 3.95Å; C206-I210 WeakPolarHBondContact O-CB 3.36Å; C206-I210 WeakPolarHBondContact O-CD1 3.4Å; C206-I210 WeakPolarHBondContact O-CG1 3.35Å; C206-I210 PolarHBondContact O-N 2.96Å; T208-I210 VanDerWaalsContact C-N 3.33Å; T208-I210 PolarHBondContact O-N 2.96Å; I210-N212 PolarHBondContact O-N 2.94Å; I210-S213 WeakPolarHBondContact O-CB 3.39Å; I210-S213 PolarHBondContact O-N 2.89Å; I210-F214 HydrophobicContact CG2-CD2 3.37Å; I210-F214 HydrophobicContact CG2-CE2 3.28Å; I210-F214 WeakPolarHBondContact O-CD2 3.43Å; I210-F214 PolarHBondContact O-N 3.25Å |
| 211 | L | 86.1 | Confident | 88 | Confident | 73 Ų | 73 | 74.3 Ų | 74.3 | 38% | 0.382 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60 | -46.1 | 177.5 | -80.3 | -174.1 | 0 | 0 | 0 | 112.5 | Y207 T208 S213 F214 E215 | Y207-L211 HydrophobicContact CD1-CD1 3.69Å; Y207-L211 HydrophobicContact CD1-CG 4.27Å; Y207-L211 HydrophobicContact CE1-CD1 3.14Å; Y207-L211 HydrophobicContact CE1-CG 4.04Å; Y207-L211 HydrophobicContact CE2-CD1 4.46Å; Y207-L211 WeakPolarHBondContact O-CB 3.45Å; Y207-L211 VanDerWaalsContact O-CG 3.29Å; Y207-L211 WeakPolarHBondContact O-CG 3Å; Y207-L211 PolarHBondContact O-N 3.3Å; T208-L211 PolarHBondContact O-N 3.12Å; L211-S213 VanDerWaalsContact C-N 3.26Å; L211-S213 PolarHBondContact O-N 2.67Å; L211-F214 PolarHBondContact O-N 3.04Å; L211-F214 VanDerWaalsContact O-N 3.13Å; L211-E215 PolarHBondContact O-N 2.84Å |
| 212 | N | 87.2 | Confident | 88.1 | Confident | 107 Ų | 107 | 75.6 Ų | 75.6 | 57% | 0.572 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.1 | -37.1 | 178.6 | -169.7 | 45 | 0 | 0 | 0 | 111.6 | T208 I210 T216 | T208-N212 WeakPolarHBondContact O-CB 2.89Å; T208-N212 PolarHBondContact O-N 2.02Å; I210-N212 PolarHBondContact O-N 2.94Å; N212-T216 PolarHBondContact O-N 2.67Å; N212-T216 PolarHBondContact O-OG1 3.17Å |
| 213 | S | 82.6 | Confident | 88.2 | Confident | 38 Ų | 38 | 77.3 Ų | 77.3 | 27% | 0.266 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 172.4 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | V209 I210 L211 T216 Y217 | V209-S213 WeakPolarHBondContact O-CB 3.44Å; V209-S213 PolarHBondContact O-N 2.89Å; V209-S213 PolarHBondContact O-OG 3.35Å; I210-S213 WeakPolarHBondContact O-CB 3.39Å; I210-S213 PolarHBondContact O-N 2.89Å; L211-S213 VanDerWaalsContact C-N 3.26Å; L211-S213 PolarHBondContact O-N 2.67Å; S213-T216 WeakPolarHBondContact O-CB 3.38Å; S213-T216 PolarHBondContact O-N 3.04Å; S213-Y217 WeakPolarHBondContact O-CD2 3.25Å; S213-Y217 PolarHBondContact O-N 2.78Å |
| 214 | F | 83.4 | Confident | 88.5 | Confident | 132 Ų | 132 | 78 Ų | 78 | 58% | 0.579 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63 | -42.9 | 178.2 | -87.8 | -66.7 | 0 | 0 | 0 | 112.6 | I210 L211 T216 Y217 V218 | I210-F214 HydrophobicContact CG2-CD2 3.37Å; I210-F214 HydrophobicContact CG2-CE2 3.28Å; I210-F214 WeakPolarHBondContact O-CD2 3.43Å; I210-F214 PolarHBondContact O-N 3.25Å; L211-F214 PolarHBondContact O-N 3.04Å; L211-F214 VanDerWaalsContact O-N 3.13Å; F214-T216 PolarHBondContact O-N 3.27Å; F214-T216 VanDerWaalsContact O-N 3.16Å; F214-Y217 CarbonylContact O-C 3.31Å; F214-Y217 PolarHBondContact O-N 2.8Å; F214-V218 WeakPolarHBondContact O-CA 3Å; F214-V218 VanDerWaalsContact O-CB 3.22Å; F214-V218 WeakPolarHBondContact O-CB 3.25Å; F214-V218 PolarHBondContact O-N 2.97Å |
| 215 | E | 82.6 | Confident | 88.5 | Confident | 132 Ų | 132 | 74.3 Ų | 74.3 | 62% | 0.617 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -57.8 | -32 | 178.6 | -76.2 | -168.3 | 165 | 0 | 0 | 112.6 | L211 | L211-E215 PolarHBondContact O-N 2.84Å |
| 216 | T | 82.3 | Confident | 88.5 | Confident | 95 Ų | 95 | 79.9 Ų | 79.9 | 58% | 0.583 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -69.6 | -40.8 | 176.4 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | N212 S213 F214 | N212-T216 PolarHBondContact O-N 2.67Å; N212-T216 PolarHBondContact O-OG1 3.17Å; S213-T216 WeakPolarHBondContact O-CB 3.38Å; S213-T216 PolarHBondContact O-N 3.04Å; F214-T216 PolarHBondContact O-N 3.27Å; F214-T216 VanDerWaalsContact O-N 3.16Å |
| 217 | Y | 86.2 | Confident | 88.6 | Confident | 153 Ų | 153 | 81.3 Ų | 81.3 | 60% | 0.6 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -98.4 | -14 | -173.6 | -64.8 | -70.6 | 0 | 0 | 0 | 114.5 | S213 F214 Y219 L220 A221 | S213-Y217 WeakPolarHBondContact O-CD2 3.25Å; S213-Y217 PolarHBondContact O-N 2.78Å; F214-Y217 CarbonylContact O-C 3.31Å; F214-Y217 PolarHBondContact O-N 2.8Å; Y217-Y219 VanDerWaalsContact C-N 3.31Å; Y217-Y219 PolarHBondContact O-N 3.29Å; Y217-L220 PolarHBondContact O-N 3.31Å; Y217-A221 WeakPolarHBondContact O-CB 2.96Å; Y217-A221 PolarHBondContact O-N 3.39Å |
| 218 | V | 86.4 | Confident | 88.7 | Confident | 77 Ų | 77 | 82 Ų | 82 | 47% | 0.467 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.8 | -36.8 | -173.6 | 70.6 | 0 | 0 | 0 | 0 | 112 | F214 G222 | F214-V218 WeakPolarHBondContact O-CA 3Å; F214-V218 VanDerWaalsContact O-CB 3.22Å; F214-V218 WeakPolarHBondContact O-CB 3.25Å; F214-V218 PolarHBondContact O-N 2.97Å; V218-G222 PolarHBondContact O-N 3.45Å |
| 219 | Y | 87.6 | Confident | 88.9 | Confident | 191 Ų | 191 | 81.9 Ų | 81.9 | 75% | 0.749 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -66.2 | -43.3 | 176.7 | -68.6 | -73.8 | 0 | 0 | 0 | 111.8 | Y217 A223 | Y217-Y219 VanDerWaalsContact C-N 3.31Å; Y217-Y219 PolarHBondContact O-N 3.29Å; Y219-A223 WeakPolarHBondContact O-CB 3.34Å; Y219-A223 PolarHBondContact O-N 3.43Å |
| 220 | L | 90.8 | Very high | 89.2 | Confident | 105 Ų | 105 | 82.6 Ų | 82.6 | 55% | 0.55 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.7 | -47 | 177.4 | -179.3 | 63.4 | 0 | 0 | 0 | 111 | Y217 G222 A223 L224 | Y217-L220 PolarHBondContact O-N 3.31Å; L220-G222 VanDerWaalsContact C-N 3.33Å; L220-G222 PolarHBondContact O-N 2.64Å; L220-A223 PolarHBondContact O-N 3.35Å; L220-L224 HydrophobicContact CG-CD1 4.29Å; L220-L224 WeakPolarHBondContact O-CG 3.45Å; L220-L224 PolarHBondContact O-N 2.86Å |
| 221 | A | 88.3 | Confident | 89.4 | Confident | 56 Ų | 56 | 86.8 Ų | 86.8 | 46% | 0.463 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y217 L224 A225 | Y217-A221 WeakPolarHBondContact O-CB 2.96Å; Y217-A221 PolarHBondContact O-N 3.39Å; A221-L224 PolarHBondContact O-N 3.26Å; A221-A225 WeakPolarHBondContact O-CB 3.34Å; A221-A225 PolarHBondContact O-N 3.48Å |
| 222 | G | 90.4 | Very high | 89.9 | Confident | 31 Ų | 31 | 84 Ų | 84 | 32% | 0.32 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V218 L220 A225 I226 | V218-G222 PolarHBondContact O-N 3.45Å; L220-G222 VanDerWaalsContact C-N 3.33Å; L220-G222 PolarHBondContact O-N 2.64Å; G222-A225 PolarHBondContact O-N 2.9Å; G222-I226 VanDerWaalsContact O-CG1 3.32Å; G222-I226 WeakPolarHBondContact O-CG1 3.02Å; G222-I226 PolarHBondContact O-N 3.49Å |
| 223 | A | 91.6 | Very high | 90.3 | Very high | 59 Ų | 59 | 83.1 Ų | 83.1 | 49% | 0.488 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y219 L220 I226 G227 | Y219-A223 WeakPolarHBondContact O-CB 3.34Å; Y219-A223 PolarHBondContact O-N 3.43Å; L220-A223 PolarHBondContact O-N 3.35Å; A223-I226 PolarHBondContact O-N 2.96Å; A223-G227 PolarHBondContact O-N 3.3Å |
| 224 | L | 93.1 | Very high | 90.8 | Very high | 110 Ų | 110 | 87.1 Ų | 87.1 | 58% | 0.576 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.9 | -44.9 | 175.3 | -70 | 173.3 | 0 | 0 | 0 | 111.6 | L220 A221 I226 G227 V228 | L220-L224 HydrophobicContact CG-CD1 4.29Å; L220-L224 WeakPolarHBondContact O-CG 3.45Å; L220-L224 PolarHBondContact O-N 2.86Å; A221-L224 PolarHBondContact O-N 3.26Å; L224-I226 PolarHBondContact O-N 2.93Å; L224-G227 WeakPolarHBondContact O-CA 2.95Å; L224-G227 PolarHBondContact O-N 3.44Å; L224-G227 VanDerWaalsContact O-N 3.13Å; L224-V228 WeakPolarHBondContact O-CG2 3.42Å; L224-V228 PolarHBondContact O-N 3.47Å |
| 225 | A | 91.8 | Very high | 91.3 | Very high | 50 Ų | 50 | 81.8 Ų | 81.8 | 41% | 0.413 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A221 G222 G227 V228 L229 | A221-A225 WeakPolarHBondContact O-CB 3.34Å; A221-A225 PolarHBondContact O-N 3.48Å; G222-A225 PolarHBondContact O-N 2.9Å; A225-G227 VanDerWaalsContact C-N 3.29Å; A225-G227 PolarHBondContact O-N 3.19Å; A225-V228 PolarHBondContact O-N 3.16Å; A225-L229 WeakPolarHBondContact O-CG 3.48Å; A225-L229 PolarHBondContact O-N 3.41Å |
| 226 | I | 93.7 | Very high | 91.9 | Very high | 120 Ų | 120 | 76.2 Ų | 76.2 | 62% | 0.615 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.8 | -40 | 174.6 | -66.7 | 165.6 | 0 | 0 | 0 | 110.9 | G222 A223 L224 L229 A230 | G222-I226 VanDerWaalsContact O-CG1 3.32Å; G222-I226 WeakPolarHBondContact O-CG1 3.02Å; G222-I226 PolarHBondContact O-N 3.49Å; A223-I226 PolarHBondContact O-N 2.96Å; L224-I226 PolarHBondContact O-N 2.93Å; I226-L229 PolarHBondContact O-N 2.61Å; I226-A230 WeakPolarHBondContact O-CB 3.35Å; I226-A230 PolarHBondContact O-N 3.36Å |
| 227 | G | 95.3 | Very high | 92.5 | Very high | 30 Ų | 30 | 75.4 Ų | 75.4 | 31% | 0.309 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A223 L224 A225 A230 I231 | A223-G227 PolarHBondContact O-N 3.3Å; L224-G227 WeakPolarHBondContact O-CA 2.95Å; L224-G227 PolarHBondContact O-N 3.44Å; L224-G227 VanDerWaalsContact O-N 3.13Å; A225-G227 VanDerWaalsContact C-N 3.29Å; A225-G227 PolarHBondContact O-N 3.19Å; G227-A230 PolarHBondContact O-N 3.07Å; G227-I231 VanDerWaalsContact O-CG1 3.3Å; G227-I231 WeakPolarHBondContact O-CG1 3.14Å; G227-I231 PolarHBondContact O-N 2.88Å |
| 228 | V | 94.1 | Very high | 92.8 | Very high | 60 Ų | 60 | 70.6 Ų | 70.6 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.9 | -52 | 176.6 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | E98 L224 A225 A230 I231 E232 | E98-V228 WeakPolarHBondContact OE1-CG1 3.44Å; L224-V228 WeakPolarHBondContact O-CG2 3.42Å; L224-V228 PolarHBondContact O-N 3.47Å; A225-V228 PolarHBondContact O-N 3.16Å; V228-A230 PolarHBondContact O-N 3.28Å; V228-I231 WeakPolarHBondContact O-CB 3.45Å; V228-I231 PolarHBondContact O-N 2.97Å; V228-E232 HydrophobicContact CG1-CG 4.34Å; V228-E232 WeakPolarHBondContact O-CG 3.47Å; V228-E232 PolarHBondContact O-N 2.97Å |
| 229 | L | 95.3 | Very high | 93.1 | Very high | 47 Ų | 47 | 67 Ų | 67 | 25% | 0.246 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -56.3 | -38.9 | 178 | -69.7 | 171.3 | 0 | 0 | 0 | 112.6 | F95 E98 A225 I226 L233 | F95-L229 HydrophobicContact CD2-CD2 3.6Å; F95-L229 HydrophobicContact CE2-CB 4.31Å; F95-L229 HydrophobicContact CE2-CD2 3.65Å; E98-L229 HydrophobicContact CB-CD2 4.02Å; E98-L229 WeakPolarHBondContact OE2-CD2 3.28Å; A225-L229 WeakPolarHBondContact O-CG 3.48Å; A225-L229 PolarHBondContact O-N 3.41Å; I226-L229 PolarHBondContact O-N 2.61Å; L229-L233 WeakPolarHBondContact O-CB 3.31Å; L229-L233 PolarHBondContact O-N 2.95Å |
| 230 | A | 95.6 | Very high | 93.3 | Very high | 40 Ų | 40 | 60.9 Ų | 60.9 | 33% | 0.331 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.9 | -45 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | I226 G227 V228 E232 L233 F234 | I226-A230 WeakPolarHBondContact O-CB 3.35Å; I226-A230 PolarHBondContact O-N 3.36Å; G227-A230 PolarHBondContact O-N 3.07Å; V228-A230 PolarHBondContact O-N 3.28Å; A230-E232 VanDerWaalsContact C-N 3.35Å; A230-E232 PolarHBondContact O-N 3.11Å; A230-L233 PolarHBondContact O-N 2.78Å; A230-F234 WeakPolarHBondContact O-CD2 3.38Å; A230-F234 PolarHBondContact O-N 3.33Å |
| 231 | I | 93.8 | Very high | 93.4 | Very high | 116 Ų | 116 | 58.3 Ų | 58.3 | 60% | 0.595 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.3 | -43.6 | 177.5 | -69.8 | 166 | 0 | 0 | 0 | 110.8 | G227 V228 L233 F234 A235 | G227-I231 VanDerWaalsContact O-CG1 3.3Å; G227-I231 WeakPolarHBondContact O-CG1 3.14Å; G227-I231 PolarHBondContact O-N 2.88Å; V228-I231 WeakPolarHBondContact O-CB 3.45Å; V228-I231 PolarHBondContact O-N 2.97Å; I231-L233 VanDerWaalsContact C-N 3.35Å; I231-L233 PolarHBondContact O-N 3.03Å; I231-F234 PolarHBondContact O-N 3.37Å; I231-A235 WeakPolarHBondContact O-CB 3.2Å; I231-A235 PolarHBondContact O-N 2.94Å |
| 232 | E | 95.2 | Very high | 93.4 | Very high | 14 Ų | 14 | 56 Ų | 56 | 7% | 0.065 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 176.5 | -69.6 | -171.5 | 146.9 | 0 | 0 | 112.1 | I91 I94 F95 V228 A230 F234 A235 M236 | I91-E232 HydrophobicContact CG2-CB 3.81Å; I91-E232 HydrophobicContact CG2-CG 4.11Å; I94-E232 WeakPolarHBondContact CG2-OE1 3.27Å; F95-E232 VanDerWaalsContact CA-OE2 3.26Å; F95-E232 WeakPolarHBondContact CA-OE2 3.38Å; F95-E232 WeakPolarHBondContact CB-OE2 3.19Å; F95-E232 HydrophobicContact CD2-CB 4.44Å; V228-E232 HydrophobicContact CG1-CG 4.34Å; V228-E232 WeakPolarHBondContact O-CG 3.47Å; V228-E232 PolarHBondContact O-N 2.97Å; A230-E232 VanDerWaalsContact C-N 3.35Å; A230-E232 PolarHBondContact O-N 3.11Å; E232-F234 PolarHBondContact O-N 3.02Å; E232-A235 PolarHBondContact O-N 3.17Å; E232-M236 WeakPolarHBondContact O-CB 3.31Å; E232-M236 WeakPolarHBondContact O-CG 3.29Å; E232-M236 PolarHBondContact O-N 3.46Å |
| 233 | L | 95.8 | Very high | 93.4 | Very high | 89 Ų | 89 | 57.6 Ų | 57.6 | 47% | 0.466 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 176.1 | -173.4 | 69.5 | 0 | 0 | 0 | 111.4 | L229 A230 I231 M236 I237 | L229-L233 WeakPolarHBondContact O-CB 3.31Å; L229-L233 PolarHBondContact O-N 2.95Å; A230-L233 PolarHBondContact O-N 2.78Å; I231-L233 VanDerWaalsContact C-N 3.35Å; I231-L233 PolarHBondContact O-N 3.03Å; L233-M236 HydrophobicContact CD1-CE 4.33Å; L233-M236 PolarHBondContact O-N 3.04Å; L233-I237 HydrophobicContact CG-CD1 4.11Å; L233-I237 VanDerWaalsContact O-CG1 3.26Å; L233-I237 WeakPolarHBondContact O-CG1 3.46Å; L233-I237 PolarHBondContact O-N 3.14Å |
| 234 | F | 94 | Very high | 93.3 | Very high | 122 Ų | 122 | 64.6 Ų | 64.6 | 54% | 0.535 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 175.5 | -77.1 | -63.9 | 0 | 0 | 0 | 112.2 | A230 I231 E232 M236 I237 F238 | A230-F234 WeakPolarHBondContact O-CD2 3.38Å; A230-F234 PolarHBondContact O-N 3.33Å; I231-F234 PolarHBondContact O-N 3.37Å; E232-F234 PolarHBondContact O-N 3.02Å; F234-M236 VanDerWaalsContact C-N 3.34Å; F234-M236 PolarHBondContact O-N 3.17Å; F234-I237 PolarHBondContact O-N 3Å; F234-F238 WeakPolarHBondContact O-CB 3.41Å; F234-F238 VanDerWaalsContact O-CG 3.31Å; F234-F238 WeakPolarHBondContact O-CG 3.5Å; F234-F238 PolarHBondContact O-N 3.45Å |
| 235 | A | 93.9 | Very high | 93 | Very high | 21 Ų | 21 | 61 Ų | 61 | 17% | 0.174 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F87 I231 E232 F238 A239 | F87-A235 HydrophobicContact CE1-CB 4.34Å; F87-A235 HydrophobicContact CZ-CB 4.28Å; I231-A235 WeakPolarHBondContact O-CB 3.2Å; I231-A235 PolarHBondContact O-N 2.94Å; E232-A235 PolarHBondContact O-N 3.17Å; A235-F238 PolarHBondContact O-N 3.26Å; A235-A239 VanDerWaalsContact O-CB 3.29Å; A235-A239 WeakPolarHBondContact O-CB 3.03Å; A235-A239 PolarHBondContact O-N 3.19Å |
| 236 | M | 95.4 | Very high | 92.6 | Very high | 15 Ų | 15 | 59.8 Ų | 59.8 | 7% | 0.074 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 174.8 | -77.3 | -171 | -73.9 | 0 | 0 | 112.3 | F88 I91 L92 F95 E232 L233 F234 A239 M240 | F88-M236 HydrophobicContact CD2-CB 3.96Å; F88-M236 HydrophobicContact CD2-CG 3.91Å; F88-M236 HydrophobicContact CE2-CB 3.76Å; F88-M236 HydrophobicContact CE2-CG 3.87Å; F88-M236 HydrophobicContact CE2-SD 4.16Å; I91-M236 HydrophobicContact CB-CG 4.18Å; I91-M236 HydrophobicContact CG2-CE 4.5Å; I91-M236 HydrophobicContact CG2-CG 3.65Å; I91-M236 HydrophobicContact CG2-SD 4.26Å; L92-M236 HydrophobicContact CB-SD 4.05Å; L92-M236 HydrophobicContact CD1-SD 4Å; F95-M236 HydrophobicContact CB-CE 4.19Å; F95-M236 HydrophobicContact CD2-CE 4.18Å; F95-M236 HydrophobicContact CG-CE 4.04Å; E232-M236 WeakPolarHBondContact O-CB 3.31Å; E232-M236 WeakPolarHBondContact O-CG 3.29Å; E232-M236 PolarHBondContact O-N 3.46Å; L233-M236 HydrophobicContact CD1-CE 4.33Å; L233-M236 PolarHBondContact O-N 3.04Å; F234-M236 VanDerWaalsContact C-N 3.34Å; F234-M236 PolarHBondContact O-N 3.17Å; M236-A239 PolarHBondContact O-N 3.06Å; M236-M240 WeakPolarHBondContact O-CG 3.48Å; M236-M240 PolarHBondContact O-N 2.9Å |
| 237 | I | 94.1 | Very high | 91.2 | Very high | 77 Ų | 77 | 65.6 Ų | 65.6 | 40% | 0.395 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.9 | -50.3 | 176.9 | -68.6 | 164.3 | 0 | 0 | 0 | 110.1 | L233 F234 A239 M240 C241 | L233-I237 HydrophobicContact CG-CD1 4.11Å; L233-I237 VanDerWaalsContact O-CG1 3.26Å; L233-I237 WeakPolarHBondContact O-CG1 3.46Å; L233-I237 PolarHBondContact O-N 3.14Å; F234-I237 PolarHBondContact O-N 3Å; I237-A239 PolarHBondContact O-N 2.83Å; I237-M240 PolarHBondContact O-N 2.85Å; I237-C241 WeakPolarHBondContact O-CB 3.48Å; I237-C241 PolarHBondContact O-N 2.79Å; I237-C241 PolarHBondContact O-SG 3.4Å |
| 238 | F | 92.4 | Very high | 91 | Very high | 53 Ų | 53 | 67.4 Ų | 67.4 | 23% | 0.232 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.4 | -41.3 | -180 | -66.7 | -18.4 | 0 | 0 | 0 | 112.4 | M9 F234 A235 M240 C241 L242 | M9-F238 HydrophobicContact CE-CD1 4.45Å; M9-F238 HydrophobicContact CE-CE1 4.26Å; M9-F238 HydrophobicContact CG-CD1 4.35Å; M9-F238 HydrophobicContact CG-CE1 4.45Å; M9-F238 HydrophobicContact SD-CD1 4.18Å; M9-F238 HydrophobicContact SD-CE1 4.5Å; F234-F238 WeakPolarHBondContact O-CB 3.41Å; F234-F238 VanDerWaalsContact O-CG 3.31Å; F234-F238 WeakPolarHBondContact O-CG 3.5Å; F234-F238 PolarHBondContact O-N 3.45Å; A235-F238 PolarHBondContact O-N 3.26Å; F238-M240 VanDerWaalsContact C-N 3.33Å; F238-M240 PolarHBondContact O-N 2.93Å; F238-C241 PolarHBondContact O-N 3.23Å; F238-L242 WeakPolarHBondContact O-CB 3.41Å; F238-L242 WeakPolarHBondContact O-CG 3.24Å; F238-L242 PolarHBondContact O-N 3.17Å |
| 239 | A | 92.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.008 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | M13 L84 F87 F88 A235 M236 I237 F243 | M13-A239 HydrophobicContact CE-CB 4.41Å; L84-A239 HydrophobicContact CD2-CB 4.2Å; F87-A239 HydrophobicContact CD1-CB 3.95Å; F87-A239 HydrophobicContact CE1-CB 4.19Å; F88-A239 HydrophobicContact CB-CB 4.4Å; A235-A239 VanDerWaalsContact O-CB 3.29Å; A235-A239 WeakPolarHBondContact O-CB 3.03Å; A235-A239 PolarHBondContact O-N 3.19Å; M236-A239 PolarHBondContact O-N 3.06Å; I237-A239 PolarHBondContact O-N 2.83Å; A239-F243 VanDerWaalsContact O-CB 3.25Å; A239-F243 WeakPolarHBondContact O-CB 3.44Å; A239-F243 PolarHBondContact O-N 3.15Å |
| 240 | M | 92.5 | Very high | 90.6 | Very high | 63 Ų | 63 | 68.9 Ų | 68.9 | 31% | 0.31 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -71 | -38.3 | 178.5 | -73.7 | -60.3 | -66.5 | 0 | 0 | 113.2 | F88 M236 I237 F238 F243 R244 | F88-M240 HydrophobicContact CD2-CG 3.73Å; F88-M240 HydrophobicContact CD2-SD 4.11Å; F88-M240 HydrophobicContact CE2-CG 3.59Å; F88-M240 HydrophobicContact CE2-SD 4.14Å; F88-M240 HydrophobicContact CG-SD 4.37Å; F88-M240 HydrophobicContact CZ-CG 4.32Å; F88-M240 HydrophobicContact CZ-SD 4.45Å; M236-M240 WeakPolarHBondContact O-CG 3.48Å; M236-M240 PolarHBondContact O-N 2.9Å; I237-M240 PolarHBondContact O-N 2.85Å; F238-M240 VanDerWaalsContact C-N 3.33Å; F238-M240 PolarHBondContact O-N 2.93Å; M240-F243 PolarHBondContact O-N 2.86Å; M240-R244 WeakPolarHBondContact O-CG 3.31Å; M240-R244 PolarHBondContact O-N 2.79Å |
| 241 | C | 91.5 | Very high | 90.4 | Very high | 51 Ų | 51 | 70.6 Ų | 70.6 | 35% | 0.345 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 173.3 | -73.5 | 0 | 0 | 0 | 0 | 111 | M9 I237 F238 R244 G245 | M9-C241 HydrophobicContact SD-CB 4.19Å; I237-C241 WeakPolarHBondContact O-CB 3.48Å; I237-C241 PolarHBondContact O-N 2.79Å; I237-C241 PolarHBondContact O-SG 3.4Å; F238-C241 PolarHBondContact O-N 3.23Å; C241-R244 PolarHBondContact O-N 3.05Å; C241-G245 PolarHBondContact O-N 3.4Å |
| 242 | L | 89.7 | Confident | 90.1 | Very high | 8 Ų | 8 | 67.8 Ų | 67.8 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 176.1 | -71.8 | 172.8 | 0 | 0 | 0 | 111.8 | L6 K10 M13 L84 F238 R244 G245 I246 | L6-L242 HydrophobicContact CD1-CD2 4.34Å; L6-L242 HydrophobicContact CG-CD2 4.06Å; K10-L242 HydrophobicContact CB-CD2 3.88Å; M13-L242 HydrophobicContact CB-CD1 4.3Å; M13-L242 HydrophobicContact SD-CD1 3.51Å; M13-L242 VanDerWaalsContact SD-CD1 3.51Å; L84-L242 HydrophobicContact CD1-CB 4.44Å; L84-L242 HydrophobicContact CD2-CB 4.2Å; F238-L242 WeakPolarHBondContact O-CB 3.41Å; F238-L242 WeakPolarHBondContact O-CG 3.24Å; F238-L242 PolarHBondContact O-N 3.17Å; L242-R244 VanDerWaalsContact C-N 3.27Å; L242-R244 PolarHBondContact O-N 3.36Å; L242-G245 PolarHBondContact O-N 3.13Å; L242-G245 VanDerWaalsContact O-N 3.09Å; L242-I246 WeakPolarHBondContact O-CD1 3.37Å; L242-I246 VanDerWaalsContact O-CG1 3.23Å; L242-I246 WeakPolarHBondContact O-CG1 3.29Å; L242-I246 PolarHBondContact O-N 3.39Å |
| 243 | F | 90.6 | Very high | 89.8 | Confident | 63 Ų | 63 | 71.3 Ų | 71.3 | 28% | 0.276 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -55.6 | -42.4 | 177.1 | -179.2 | -84.9 | 0 | 0 | 0 | 112.4 | K81 L84 L85 A239 M240 | K81-F243 HydrophobicContact CB-CD2 3.93Å; K81-F243 HydrophobicContact CB-CE2 3.59Å; K81-F243 HydrophobicContact CB-CZ 4.33Å; K81-F243 HydrophobicContact CG-CD2 4.14Å; K81-F243 HydrophobicContact CG-CE2 4.08Å; K81-F243 WeakPolarHBondContact O-CD2 3.39Å; K81-F243 WeakPolarHBondContact O-CE2 3.26Å; L84-F243 HydrophobicContact CB-CD2 4.46Å; L85-F243 HydrophobicContact CB-CE2 4.29Å; A239-F243 VanDerWaalsContact O-CB 3.25Å; A239-F243 WeakPolarHBondContact O-CB 3.44Å; A239-F243 PolarHBondContact O-N 3.15Å; M240-F243 PolarHBondContact O-N 2.86Å |
| 244 | R | 89.6 | Confident | 89.4 | Confident | 206 Ų | 206 | 70.1 Ų | 70.1 | 78% | 0.777 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -74.2 | -31.4 | 177 | -73.1 | -177 | 173.7 | -177.6 | -0.5 | 113.5 | M240 C241 L242 | M240-R244 WeakPolarHBondContact O-CG 3.31Å; M240-R244 PolarHBondContact O-N 2.79Å; C241-R244 PolarHBondContact O-N 3.05Å; L242-R244 VanDerWaalsContact C-N 3.27Å; L242-R244 PolarHBondContact O-N 3.36Å |
| 245 | G | 85.1 | Confident | 89 | Confident | 34 Ų | 34 | 66.1 Ų | 66.1 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -78.2 | -20.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | C241 L242 Q247 | C241-G245 PolarHBondContact O-N 3.4Å; L242-G245 PolarHBondContact O-N 3.13Å; L242-G245 VanDerWaalsContact O-N 3.09Å; G245-Q247 PolarHBondContact O-N 3.48Å |
| 246 | I | 85 | Confident | 88.6 | Confident | 25 Ų | 25 | 69.8 Ų | 69.8 | 13% | 0.128 | 34% | 0.339 | C | S | . | . | trans | -73.5 | 121.9 | 173.7 | -63.4 | 157.3 | 0 | 0 | 0 | 108.5 | E79 K81 L84 L242 | E79-I246 HydrophobicContact CB-CD1 3.98Å; E79-I246 HydrophobicContact CB-CG1 3.93Å; E79-I246 HydrophobicContact CB-CG2 4.19Å; E79-I246 HydrophobicContact CG-CD1 4.43Å; E79-I246 HydrophobicContact CG-CG1 4.19Å; E79-I246 WeakPolarHBondContact O-CG2 3.41Å; K81-I246 HydrophobicContact CD-CG2 4.47Å; K81-I246 WeakPolarHBondContact CE-O 3.3Å; K81-I246 HydrophobicContact CG-CB 4.34Å; K81-I246 HydrophobicContact CG-CD1 4.47Å; K81-I246 HydrophobicContact CG-CG2 4.18Å; K81-I246 PolarHBondContact NZ-O 3.02Å; L84-I246 HydrophobicContact CD1-CD1 3.36Å; L242-I246 WeakPolarHBondContact O-CD1 3.37Å; L242-I246 VanDerWaalsContact O-CG1 3.23Å; L242-I246 WeakPolarHBondContact O-CG1 3.29Å; L242-I246 PolarHBondContact O-N 3.39Å | ||
| 247 | Q | 64.4 | Low | 88 | Confident | 242 Ų | 242 | 74.8 Ų | 74.8 | 100% | 1.131 | 36% | 0.363 | S | S | * | . | trans | -74.1 | 0 | 173 | -78 | 177.1 | -37.1 | 0 | 0 | 110.4 | K81 G245 | K81-Q247 PolarHBondContact NZ-OXT 3.15Å; G245-Q247 PolarHBondContact O-N 3.48Å |
Retrieved 247 of 247 residues in 97.1 ms
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