| 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 | Y | 63 | Low | 76.6 | Confident | 231 Ų | 231 | 105 Ų | 105 | 91% | 0.906 | 51% | 0.505 | S | S | * | . | 0 | -70.2 | 0 | -140.3 | -97.2 | 0 | 0 | 0 | 112.1 | F3 S4 L5 | Y1-F3 VanDerWaalsContact C-N 3.35Å; Y1-F3 PolarHBondContact O-N 3.44Å; Y1-S4 PolarHBondContact O-N 3.33Å; Y1-L5 WeakPolarHBondContact O-CB 3.5Å; Y1-L5 PolarHBondContact O-N 3.37Å | |||
| 2 | I | 72.5 | Confident | 77.4 | Confident | 87 Ų | 87 | 100.3 Ų | 100.3 | 45% | 0.446 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.9 | -42.2 | -179.6 | -69.6 | 160.1 | 0 | 0 | 0 | 113 | L5 F6 R135 | I2-L5 WeakPolarHBondContact O-CB 3.38Å; I2-L5 PolarHBondContact O-N 3.13Å; I2-F6 HydrophobicContact CG2-CD2 3.99Å; I2-F6 HydrophobicContact CG2-CE2 4.19Å; I2-F6 WeakPolarHBondContact O-CD2 3.43Å; I2-F6 PolarHBondContact O-N 3.3Å; I2-R135 VanDerWaalsContact CD1-NH2 3.33Å |
| 3 | F | 66.5 | Low | 78 | Confident | 61 Ų | 61 | 96.8 Ų | 96.8 | 27% | 0.268 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66 | -46 | 176.1 | 176.9 | -120.2 | 0 | 0 | 0 | 113 | Y1 L5 F6 L7 I124 L125 S128 | Y1-F3 VanDerWaalsContact C-N 3.35Å; Y1-F3 PolarHBondContact O-N 3.44Å; F3-L5 PolarHBondContact O-N 3.23Å; F3-F6 PolarHBondContact O-N 3.44Å; F3-L7 HydrophobicContact CD1-CD1 4.07Å; F3-L7 HydrophobicContact CD2-CD1 4.49Å; F3-L7 HydrophobicContact CD2-CG 4.25Å; F3-L7 HydrophobicContact CE1-CD1 3.45Å; F3-L7 VanDerWaalsContact CE1-CD1 3.45Å; F3-L7 HydrophobicContact CE1-CG 4.21Å; F3-L7 HydrophobicContact CE2-CD1 3.94Å; F3-L7 HydrophobicContact CE2-CD2 4.06Å; F3-L7 HydrophobicContact CE2-CG 3.81Å; F3-L7 HydrophobicContact CZ-CD1 3.41Å; F3-L7 VanDerWaalsContact CZ-CD1 3.41Å; F3-L7 HydrophobicContact CZ-CD2 4.13Å; F3-L7 HydrophobicContact CZ-CG 3.83Å; F3-L7 PolarHBondContact O-N 3.24Å; F3-I124 HydrophobicContact CE2-CG2 4.23Å; F3-L125 HydrophobicContact CZ-CD2 4.38Å; F3-S128 WeakPolarHBondContact CD1-OG 3.27Å; F3-S128 WeakPolarHBondContact CD2-OG 3.44Å; F3-S128 WeakPolarHBondContact CE2-OG 3.33Å; F3-S128 WeakPolarHBondContact CG-OG 3.12Å; F3-S128 VanDerWaalsContact CZ-OG 3.28Å; F3-S128 WeakPolarHBondContact CZ-OG 3.26Å |
| 4 | S | 74.2 | Confident | 78.4 | Confident | 76 Ų | 76 | 97.5 Ų | 97.5 | 53% | 0.531 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.2 | -35.1 | 173.1 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | Y1 F8 | Y1-S4 PolarHBondContact O-N 3.33Å; S4-F8 VanDerWaalsContact O-CB 3.23Å; S4-F8 WeakPolarHBondContact O-CB 3.41Å; S4-F8 PolarHBondContact O-N 3.32Å |
| 5 | L | 77.5 | Confident | 78.6 | Confident | 89 Ų | 89 | 94.3 Ų | 94.3 | 47% | 0.466 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.7 | -47.2 | 175.8 | -162 | 96.4 | 0 | 0 | 0 | 110.9 | Y1 I2 F3 F8 I9 | Y1-L5 WeakPolarHBondContact O-CB 3.5Å; Y1-L5 PolarHBondContact O-N 3.37Å; I2-L5 WeakPolarHBondContact O-CB 3.38Å; I2-L5 PolarHBondContact O-N 3.13Å; F3-L5 PolarHBondContact O-N 3.23Å; L5-F8 PolarHBondContact O-N 2.87Å; L5-I9 HydrophobicContact CD2-CD1 4.02Å; L5-I9 HydrophobicContact CG-CD1 4.06Å; L5-I9 WeakPolarHBondContact O-CB 3.37Å; L5-I9 WeakPolarHBondContact O-CG1 3.35Å; L5-I9 PolarHBondContact O-N 3.24Å |
| 6 | F | 78.9 | Confident | 78.8 | Confident | 130 Ų | 130 | 94.9 Ų | 94.9 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.8 | -42.4 | 176.6 | -96.4 | -76.9 | 0 | 0 | 0 | 112.7 | I2 F3 I9 A10 | I2-F6 HydrophobicContact CG2-CD2 3.99Å; I2-F6 HydrophobicContact CG2-CE2 4.19Å; I2-F6 WeakPolarHBondContact O-CD2 3.43Å; I2-F6 PolarHBondContact O-N 3.3Å; F3-F6 PolarHBondContact O-N 3.44Å; F6-I9 PolarHBondContact O-N 3.07Å; F6-A10 WeakPolarHBondContact O-CB 3.43Å; F6-A10 PolarHBondContact O-N 3.02Å |
| 7 | L | 78.1 | Confident | 79 | Confident | 45 Ų | 45 | 99.6 Ų | 99.6 | 24% | 0.236 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 174 | -72.1 | -178.1 | 0 | 0 | 0 | 111.2 | F3 I9 A10 F11 I124 | F3-L7 HydrophobicContact CD1-CD1 4.07Å; F3-L7 HydrophobicContact CD2-CD1 4.49Å; F3-L7 HydrophobicContact CD2-CG 4.25Å; F3-L7 HydrophobicContact CE1-CD1 3.45Å; F3-L7 VanDerWaalsContact CE1-CD1 3.45Å; F3-L7 HydrophobicContact CE1-CG 4.21Å; F3-L7 HydrophobicContact CE2-CD1 3.94Å; F3-L7 HydrophobicContact CE2-CD2 4.06Å; F3-L7 HydrophobicContact CE2-CG 3.81Å; F3-L7 HydrophobicContact CZ-CD1 3.41Å; F3-L7 VanDerWaalsContact CZ-CD1 3.41Å; F3-L7 HydrophobicContact CZ-CD2 4.13Å; F3-L7 HydrophobicContact CZ-CG 3.83Å; F3-L7 PolarHBondContact O-N 3.24Å; L7-I9 PolarHBondContact O-N 3.45Å; L7-A10 PolarHBondContact O-N 3.32Å; L7-F11 WeakPolarHBondContact O-CB 3.33Å; L7-F11 VanDerWaalsContact O-CD2 3.25Å; L7-F11 WeakPolarHBondContact O-CD2 3.29Å; L7-F11 PolarHBondContact O-N 2.84Å; L7-I124 HydrophobicContact CD2-CG2 4.4Å |
| 8 | F | 80.7 | Confident | 79 | Confident | 161 Ų | 161 | 101.9 Ų | 101.9 | 71% | 0.706 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.6 | -41 | 178.4 | -159.4 | -91.4 | 0 | 0 | 0 | 111.9 | S4 L5 S12 | S4-F8 VanDerWaalsContact O-CB 3.23Å; S4-F8 WeakPolarHBondContact O-CB 3.41Å; S4-F8 PolarHBondContact O-N 3.32Å; L5-F8 PolarHBondContact O-N 2.87Å; F8-S12 WeakPolarHBondContact O-CB 3.34Å; F8-S12 PolarHBondContact O-N 2.87Å; F8-S12 PolarHBondContact O-OG 3.05Å |
| 9 | I | 84.4 | Confident | 78.8 | Confident | 92 Ų | 92 | 106.5 Ų | 106.5 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 174.1 | -67.5 | 164.6 | 0 | 0 | 0 | 110.6 | L5 F6 L7 S12 A13 | L5-I9 HydrophobicContact CD2-CD1 4.02Å; L5-I9 HydrophobicContact CG-CD1 4.06Å; L5-I9 WeakPolarHBondContact O-CB 3.37Å; L5-I9 WeakPolarHBondContact O-CG1 3.35Å; L5-I9 PolarHBondContact O-N 3.24Å; F6-I9 PolarHBondContact O-N 3.07Å; L7-I9 PolarHBondContact O-N 3.45Å; I9-S12 VanDerWaalsContact CA-OG 3.31Å; I9-S12 WeakPolarHBondContact CA-OG 3.12Å; I9-S12 PolarHBondContact O-N 3.39Å; I9-S12 PolarHBondContact O-OG 3.02Å; I9-A13 VanDerWaalsContact O-CB 3.27Å; I9-A13 WeakPolarHBondContact O-CB 3.25Å; I9-A13 PolarHBondContact O-N 2.82Å |
| 10 | A | 83.3 | Confident | 78.3 | Confident | 40 Ų | 40 | 105.4 Ų | 105.4 | 33% | 0.331 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F6 L7 A13 L14 | F6-A10 WeakPolarHBondContact O-CB 3.43Å; F6-A10 PolarHBondContact O-N 3.02Å; L7-A10 PolarHBondContact O-N 3.32Å; A10-A13 PolarHBondContact O-N 2.87Å; A10-L14 WeakPolarHBondContact O-CB 3.27Å; A10-L14 PolarHBondContact O-N 3.44Å |
| 11 | F | 83.5 | Confident | 77.6 | Confident | 143 Ų | 143 | 103.5 Ų | 103.5 | 63% | 0.627 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.7 | -41.8 | 176.9 | -92.1 | -76.1 | 0 | 0 | 0 | 112.2 | L7 L14 A15 | L7-F11 WeakPolarHBondContact O-CB 3.33Å; L7-F11 VanDerWaalsContact O-CD2 3.25Å; L7-F11 WeakPolarHBondContact O-CD2 3.29Å; L7-F11 PolarHBondContact O-N 2.84Å; F11-L14 PolarHBondContact O-N 3.13Å; F11-A15 WeakPolarHBondContact O-CB 3.34Å; F11-A15 PolarHBondContact O-N 3.48Å |
| 12 | S | 85.8 | Confident | 77.3 | Confident | 49 Ų | 49 | 95.4 Ų | 95.4 | 34% | 0.343 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 176.2 | 47.2 | 0 | 0 | 0 | 0 | 111.8 | F8 I9 L14 A15 L16 | F8-S12 WeakPolarHBondContact O-CB 3.34Å; F8-S12 PolarHBondContact O-N 2.87Å; F8-S12 PolarHBondContact O-OG 3.05Å; I9-S12 VanDerWaalsContact CA-OG 3.31Å; I9-S12 WeakPolarHBondContact CA-OG 3.12Å; I9-S12 PolarHBondContact O-N 3.39Å; I9-S12 PolarHBondContact O-OG 3.02Å; S12-L14 PolarHBondContact O-N 3.13Å; S12-A15 PolarHBondContact O-N 3.45Å; S12-L16 WeakPolarHBondContact O-CB 3.32Å; S12-L16 VanDerWaalsContact O-CG 3.27Å; S12-L16 WeakPolarHBondContact O-CG 3.2Å; S12-L16 PolarHBondContact O-N 3.11Å |
| 13 | A | 86 | Confident | 76.1 | Confident | 54 Ų | 54 | 98.6 Ų | 98.6 | 45% | 0.446 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I9 A10 A15 L16 W17 | I9-A13 VanDerWaalsContact O-CB 3.27Å; I9-A13 WeakPolarHBondContact O-CB 3.25Å; I9-A13 PolarHBondContact O-N 2.82Å; A10-A13 PolarHBondContact O-N 2.87Å; A13-A15 VanDerWaalsContact C-N 3.34Å; A13-A15 PolarHBondContact O-N 3.45Å; A13-L16 PolarHBondContact O-N 3.25Å; A13-W17 VanDerWaalsContact O-CB 3.26Å; A13-W17 WeakPolarHBondContact O-CB 3.43Å; A13-W17 PolarHBondContact O-N 2.94Å |
| 14 | L | 83.7 | Confident | 75.3 | Confident | 107 Ų | 107 | 105.8 Ų | 105.8 | 56% | 0.56 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65 | -38.3 | 176.2 | -143.1 | 90.3 | 0 | 0 | 0 | 111.8 | A10 F11 S12 K18 | A10-L14 WeakPolarHBondContact O-CB 3.27Å; A10-L14 PolarHBondContact O-N 3.44Å; F11-L14 PolarHBondContact O-N 3.13Å; S12-L14 PolarHBondContact O-N 3.13Å; L14-K18 WeakPolarHBondContact O-CB 3.35Å; L14-K18 VanDerWaalsContact O-CG 3.27Å; L14-K18 WeakPolarHBondContact O-CG 3.47Å; L14-K18 PolarHBondContact O-N 3.45Å |
| 15 | A | 81.2 | Confident | 73.9 | Confident | 50 Ų | 50 | 107.7 Ų | 107.7 | 41% | 0.413 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.5 | -41.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | F11 S12 A13 K18 R19 | F11-A15 WeakPolarHBondContact O-CB 3.34Å; F11-A15 PolarHBondContact O-N 3.48Å; S12-A15 PolarHBondContact O-N 3.45Å; A13-A15 VanDerWaalsContact C-N 3.34Å; A13-A15 PolarHBondContact O-N 3.45Å; A15-K18 PolarHBondContact O-N 3.06Å; A15-R19 WeakPolarHBondContact O-CG 3.42Å; A15-R19 PolarHBondContact O-N 3.26Å |
| 16 | L | 81.7 | Confident | 72.6 | Confident | 104 Ų | 104 | 107.2 Ų | 107.2 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 173.9 | -70.4 | 172.4 | 0 | 0 | 0 | 111 | S12 A13 K18 R19 C20 | S12-L16 WeakPolarHBondContact O-CB 3.32Å; S12-L16 VanDerWaalsContact O-CG 3.27Å; S12-L16 WeakPolarHBondContact O-CG 3.2Å; S12-L16 PolarHBondContact O-N 3.11Å; A13-L16 PolarHBondContact O-N 3.25Å; L16-K18 VanDerWaalsContact C-N 3.33Å; L16-K18 PolarHBondContact O-N 3.44Å; L16-R19 WeakPolarHBondContact O-CB 3.46Å; L16-R19 PolarHBondContact O-N 3.12Å; L16-R19 VanDerWaalsContact O-N 3.1Å; L16-C20 PolarHBondContact O-N 3.01Å; L16-C20 PolarHBondContact O-SG 2.94Å; L16-C20 VanDerWaalsContact O-SG 3.34Å |
| 17 | W | 82.1 | Confident | 71.2 | Confident | 175 Ų | 175 | 106 Ų | 106 | 66% | 0.663 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -56.2 | -47.3 | 172.7 | -178.6 | -82.5 | 0 | 0 | 0 | 111.3 | A13 R19 C20 L21 | A13-W17 VanDerWaalsContact O-CB 3.26Å; A13-W17 WeakPolarHBondContact O-CB 3.43Å; A13-W17 PolarHBondContact O-N 2.94Å; W17-R19 VanDerWaalsContact C-N 3.3Å; W17-R19 PolarHBondContact O-N 3.2Å; W17-C20 PolarHBondContact O-N 2.78Å; W17-L21 HydrophobicContact CZ2-CD1 4.42Å; W17-L21 WeakPolarHBondContact O-CB 3.27Å; W17-L21 PolarHBondContact O-N 2.79Å |
| 18 | K | 78.4 | Confident | 69.7 | Low | 141 Ų | 141 | 112.2 Ų | 112.2 | 61% | 0.613 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.9 | -35.2 | 175.9 | -76.6 | -71.5 | -172.8 | -172.8 | 0 | 113.1 | L14 A15 L16 A22 | L14-K18 WeakPolarHBondContact O-CB 3.35Å; L14-K18 VanDerWaalsContact O-CG 3.27Å; L14-K18 WeakPolarHBondContact O-CG 3.47Å; L14-K18 PolarHBondContact O-N 3.45Å; A15-K18 PolarHBondContact O-N 3.06Å; L16-K18 VanDerWaalsContact C-N 3.33Å; L16-K18 PolarHBondContact O-N 3.44Å; K18-A22 PolarHBondContact O-N 3.38Å; K18-A22 VanDerWaalsContact O-N 3.08Å |
| 19 | R | 75.2 | Confident | 68.3 | Low | 188 Ų | 188 | 108 Ų | 108 | 71% | 0.709 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.4 | -46.2 | 174.4 | -74 | -177.7 | -178 | -166.3 | 0.3 | 111.6 | A15 L16 W17 L21 A22 E23 | A15-R19 WeakPolarHBondContact O-CG 3.42Å; A15-R19 PolarHBondContact O-N 3.26Å; L16-R19 WeakPolarHBondContact O-CB 3.46Å; L16-R19 PolarHBondContact O-N 3.12Å; L16-R19 VanDerWaalsContact O-N 3.1Å; W17-R19 VanDerWaalsContact C-N 3.3Å; W17-R19 PolarHBondContact O-N 3.2Å; R19-L21 VanDerWaalsContact C-N 3.29Å; R19-L21 PolarHBondContact O-N 2.72Å; R19-A22 WeakPolarHBondContact O-CB 3.27Å; R19-A22 PolarHBondContact O-N 2.75Å; R19-E23 PolarHBondContact O-N 2.8Å |
| 20 | C | 68.8 | Low | 66.3 | Low | 84 Ų | 84 | 109 Ų | 109 | 57% | 0.568 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.6 | -34.3 | 176.4 | -61.9 | 0 | 0 | 0 | 0 | 112.3 | L16 W17 E23 W24 | L16-C20 PolarHBondContact O-N 3.01Å; L16-C20 PolarHBondContact O-SG 2.94Å; L16-C20 VanDerWaalsContact O-SG 3.34Å; W17-C20 PolarHBondContact O-N 2.78Å; C20-E23 WeakPolarHBondContact O-CB 3.11Å; C20-E23 PolarHBondContact O-N 3.48Å; C20-W24 PolarHBondContact O-N 2.91Å; C20-W24 VanDerWaalsContact O-N 3.14Å |
| 21 | L | 64.6 | Low | 64.6 | Low | 67 Ų | 67 | 110.6 Ų | 110.6 | 35% | 0.351 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -72.8 | -29 | 178.1 | -141.8 | 139.5 | 0 | 0 | 0 | 112.4 | W17 R19 E23 N25 | W17-L21 HydrophobicContact CZ2-CD1 4.42Å; W17-L21 WeakPolarHBondContact O-CB 3.27Å; W17-L21 PolarHBondContact O-N 2.79Å; R19-L21 VanDerWaalsContact C-N 3.29Å; R19-L21 PolarHBondContact O-N 2.72Å; L21-E23 VanDerWaalsContact C-N 3.35Å; L21-N25 WeakPolarHBondContact O-CB 3.39Å; L21-N25 PolarHBondContact O-N 2.86Å; L21-N25 PolarHBondContact O-ND2 3.36Å |
| 22 | A | 56.3 | Low | 62.5 | Low | 61 Ų | 61 | 111.9 Ų | 111.9 | 50% | 0.504 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -68.9 | -34.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | K18 R19 A26 | K18-A22 PolarHBondContact O-N 3.38Å; K18-A22 VanDerWaalsContact O-N 3.08Å; R19-A22 WeakPolarHBondContact O-CB 3.27Å; R19-A22 PolarHBondContact O-N 2.75Å; A22-A26 PolarHBondContact O-N 3.2Å |
| 23 | E | 46.8 | Very low | 60.6 | Low | 153 Ų | 153 | 117.5 Ų | 117.5 | 72% | 0.715 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.5 | -37.3 | 176 | -161.1 | 168.3 | 146.7 | 0 | 0 | 111.7 | R19 C20 L21 A26 T27 | R19-E23 PolarHBondContact O-N 2.8Å; C20-E23 WeakPolarHBondContact O-CB 3.11Å; C20-E23 PolarHBondContact O-N 3.48Å; L21-E23 VanDerWaalsContact C-N 3.35Å; E23-A26 PolarHBondContact O-N 2.92Å; E23-T27 PolarHBondContact O-OG1 3.26Å |
| 24 | W | 49.9 | Very low | 58.6 | Low | 212 Ų | 212 | 120.9 Ų | 120.9 | 80% | 0.803 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -76.3 | -36.1 | 176.7 | -152.8 | 70.9 | 0 | 0 | 0 | 113.2 | C20 A26 T27 | C20-W24 PolarHBondContact O-N 2.91Å; C20-W24 VanDerWaalsContact O-N 3.14Å; W24-A26 PolarHBondContact O-N 3.46Å; W24-T27 PolarHBondContact O-N 3.48Å |
| 25 | N | 46.2 | Very low | 56.5 | Low | 117 Ų | 117 | 120.4 Ų | 120.4 | 63% | 0.626 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -11.8 | 174.2 | -80.7 | -16.4 | 0 | 0 | 0 | 113.9 | L21 | L21-N25 WeakPolarHBondContact O-CB 3.39Å; L21-N25 PolarHBondContact O-N 2.86Å; L21-N25 PolarHBondContact O-ND2 3.36Å |
| 26 | A | 48.6 | Very low | 54.5 | Low | 78 Ų | 78 | 122.5 Ų | 122.5 | 65% | 0.645 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 1.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A22 E23 W24 | A22-A26 PolarHBondContact O-N 3.2Å; E23-A26 PolarHBondContact O-N 2.92Å; W24-A26 PolarHBondContact O-N 3.46Å |
| 27 | T | 50.6 | Low | 52.5 | Low | 105 Ų | 105 | 123.6 Ų | 123.6 | 64% | 0.644 | 69% | 0.691 | S | S | * | * | trans | -116 | 26.6 | -172.4 | -42 | 0 | 0 | 0 | 0 | 114.9 | E23 W24 G29 | E23-T27 PolarHBondContact O-OG1 3.26Å; W24-T27 PolarHBondContact O-N 3.48Å; T27-G29 VanDerWaalsContact C-N 3.33Å | ||
| 28 | D | 47 | Very low | 50.5 | Low | 175 Ų | 175 | 120.3 Ų | 120.3 | 94% | 0.936 | 69% | 0.694 | S | S | * | * | trans | -99.8 | 38.5 | 164.8 | -94.5 | -12 | 0 | 0 | 0 | 112.1 | ||||
| 29 | G | 50.9 | Low | 48.8 | Very low | 73 Ų | 73 | 121.1 Ų | 121.1 | 75% | 0.753 | 70% | 0.7 | S | S | * | * | trans | -117.9 | 44.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T27 S31 | T27-G29 VanDerWaalsContact C-N 3.33Å; G29-S31 PolarHBondContact O-N 2.96Å | ||
| 30 | S | 41.4 | Very low | 47.1 | Very low | 114 Ų | 114 | 118.5 Ų | 118.5 | 80% | 0.797 | 70% | 0.7 | S | S | * | * | trans | -89.6 | 106.2 | 174 | -169.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 31 | S | 48 | Very low | 46.2 | Very low | 72 Ų | 72 | 122 Ų | 122 | 50% | 0.503 | 71% | 0.713 | S | S | . | * | trans | 58.8 | 101.8 | 133.9 | -156.3 | 0 | 0 | 0 | 0 | 117.8 | G29 | G29-S31 PolarHBondContact O-N 2.96Š| ||
| 32 | N | 38.6 | Very low | 44.9 | Very low | 171 Ų | 171 | 124.5 Ų | 124.5 | 91% | 0.914 | 74% | 0.735 | S | S | * | * | -134.7 | 113.8 | 118.1 | -83.7 | -38.1 | 0 | 0 | 0 | 108.5 | |||||
| 33 | Q | 47.6 | Very low | 44 | Very low | 166 Ų | 166 | 128 Ų | 128 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | -62.6 | 158.3 | 175.7 | -78.6 | 166.2 | -7.5 | 0 | 0 | 111.8 | ||||
| 34 | T | 42.4 | Very low | 43.6 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | 90.3 | 75.2 | 158.1 | -15.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 35 | A | 39.9 | Very low | 42.8 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 79% | 0.793 | 76% | 0.758 | S | S | * | * | trans | -108 | 85.7 | 144.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | V37 | A35-V37 PolarHBondContact O-N 3.33Š| ||
| 36 | S | 40.4 | Very low | 42.5 | Very low | 94 Ų | 94 | 126.7 Ų | 126.7 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | trans | -66.7 | 106.9 | 157.9 | 53.9 | 0 | 0 | 0 | 0 | 106.7 | C38 | S36-C38 PolarHBondContact O-N 3.24Š| ||
| 37 | V | 40 | Very low | 41.7 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -65.8 | 103.7 | 168.6 | 172.9 | 0 | 0 | 0 | 0 | 106.9 | A35 Q39 | A35-V37 PolarHBondContact O-N 3.33Å; V37-Q39 PolarHBondContact O-N 3.03Å | ||
| 38 | C | 39.3 | Very low | 41.1 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 72% | 0.716 | 78% | 0.776 | S | S | * | * | trans | -74.8 | 112.5 | 160.4 | -76 | 0 | 0 | 0 | 0 | 107.4 | S36 | S36-C38 PolarHBondContact O-N 3.24Š| ||
| 39 | Q | 42.4 | Very low | 40.5 | Very low | 158 Ų | 158 | 132 Ų | 132 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | -80.6 | 116.1 | 166.9 | -166.4 | 155.6 | -25.2 | 0 | 0 | 107.2 | V37 | V37-Q39 PolarHBondContact O-N 3.03Š| ||
| 40 | D | 39.6 | Very low | 39.8 | Very low | 134 Ų | 134 | 136 Ų | 136 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 53.9 | 113.6 | 157.6 | -38.5 | -28.1 | 0 | 0 | 0 | 118.4 | ||
| 41 | N | 49.6 | Very low | 39.2 | Very low | 158 Ų | 158 | 136 Ų | 136 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | 64.2 | 100.3 | 171.2 | -74.6 | -12 | 0 | 0 | 0 | 118.5 | ||||
| 42 | C | 38.4 | Very low | 38.5 | Very low | 119 Ų | 119 | 139 Ų | 139 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -131.6 | 108.6 | 156.5 | -70.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 43 | T | 35.7 | Very low | 38.5 | Very low | 135 Ų | 135 | 134 Ų | 134 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | trans | -94.7 | 118.8 | 172.1 | -54.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 44 | A | 40.1 | Very low | 38 | Very low | 93 Ų | 93 | 131.7 Ų | 131.7 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | 44.1 | 123 | 153.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 45 | E | 32.3 | Very low | 37.8 | Very low | 194 Ų | 194 | 135.8 Ų | 135.8 | 91% | 0.907 | 77% | 0.769 | S | S | * | * | -151.5 | 153.6 | 114.8 | -157.2 | 162 | 152.1 | 0 | 0 | 111.5 | |||||
| 46 | K | 39.6 | Very low | 38 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | -67.8 | 139.3 | -169 | -65.6 | 174.4 | 170.9 | 173.1 | 0 | 113.5 | ||||
| 47 | D | 32.2 | Very low | 38.2 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 93% | 0.925 | 77% | 0.766 | S | S | * | * | trans | -114.4 | 109.8 | 136.4 | -77.1 | -40.6 | 0 | 0 | 0 | 108.3 | ||||
| 48 | T | 37.7 | Very low | 38.2 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | trans | -90.1 | 97.6 | 172.1 | -51.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 49 | E | 34.5 | Very low | 38.7 | Very low | 191 Ų | 191 | 133.3 Ų | 133.3 | 89% | 0.893 | 73% | 0.729 | S | S | * | * | trans | -119.2 | 76.8 | 151.8 | -78.3 | -158 | 124.5 | 0 | 0 | 108.8 | S51 | E49-S51 PolarHBondContact O-N 3.47Š| ||
| 50 | Q | 36.4 | Very low | 38.9 | Very low | 157 Ų | 157 | 132.7 Ų | 132.7 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | trans | 14.1 | 98.2 | 132.6 | -169.7 | 165.1 | -26.6 | 0 | 0 | 116.6 | ||||
| 51 | S | 29.3 | Very low | 39.2 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | trans | -135.8 | 111.9 | 136.9 | -168.5 | 0 | 0 | 0 | 0 | 109.5 | E49 | E49-S51 PolarHBondContact O-N 3.47Š| ||
| 52 | N | 32.1 | Very low | 39 | Very low | 134 Ų | 134 | 131 Ų | 131 | 72% | 0.717 | 71% | 0.711 | S | S | * | * | trans | -67.7 | 128.1 | -175.6 | -72.4 | -64.5 | 0 | 0 | 0 | 111 | ||||
| 53 | G | 38.4 | Very low | 39.5 | Very low | 67 Ų | 67 | 130.4 Ų | 130.4 | 69% | 0.691 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 59.1 | 95.6 | 142.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 54 | H | 37.8 | Very low | 40.2 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 54% | 0.542 | 69% | 0.693 | S | S | . | * | trans | -173.6 | 34.4 | 131.2 | -128.2 | -59.7 | 0 | 0 | 0 | 114.9 | S56 K75 | H54-S56 PolarHBondContact O-N 3.3Å; H54-K75 HydrophobicContact CB-CD 4.2Å; H54-K75 PolarHBondContact CE1-NZ 2.88Å; H54-K75 PolarHBondContact ND1-NZ 2.87Å; H54-K75 PolarHBondContact NE2-NZ 3.37Å | ||
| 55 | F | 38.2 | Very low | 40.6 | Very low | 213 Ų | 213 | 131.5 Ų | 131.5 | 93% | 0.934 | 67% | 0.67 | S | S | * | * | trans | -75.8 | 96.5 | 177.5 | -71.2 | -87.2 | 0 | 0 | 0 | 110.4 | ||||
| 56 | S | 43.8 | Very low | 41.3 | Very low | 72 Ų | 72 | 123.1 Ų | 123.1 | 50% | 0.503 | 63% | 0.633 | S | S | . | * | trans | -108 | 138.4 | 166.7 | 49.7 | 0 | 0 | 0 | 0 | 109.8 | H54 | H54-S56 PolarHBondContact O-N 3.3Š| ||
| 57 | E | 45 | Very low | 42 | Very low | 191 Ų | 191 | 120.9 Ų | 120.9 | 89% | 0.893 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 139.3 | 171.3 | -151.4 | 159.3 | 171.3 | 0 | 0 | 111.3 | ||
| 58 | C | 40.6 | Very low | 42.8 | Very low | 24 Ų | 24 | 117.4 Ų | 117.4 | 16% | 0.162 | 61% | 0.605 | C | S | . | * | P | Polyproline II helix | trans | -63.9 | 133.8 | -179.4 | -73.7 | 0 | 0 | 0 | 0 | 109.7 | C71 | C58-C71 HydrophobicContact CB-CB 3.95Å; C58-C71 WeakPolarHBondContact CB-SG 3.16Å; C58-C71 WeakPolarHBondContact SG-CB 3.35Å; C58-C71 CovalentContact SG-SG 2.06Å; C58-C71 PolarHBondContact SG-SG 3.28Å |
| 59 | P | 48.1 | Very low | 43.4 | Very low | 83 Ų | 83 | 114 Ų | 114 | 54% | 0.539 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 138.6 | -179.7 | 23.4 | -31.7 | 0 | 0 | 0 | 111 | E61 L62 | P59-E61 PolarHBondContact O-N 2.89Å; P59-L62 PolarHBondContact O-N 3.39Å |
| 60 | E | 47.7 | Very low | 44.2 | Very low | 145 Ų | 145 | 112.8 Ų | 112.8 | 68% | 0.678 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -56.6 | -27.4 | -170.7 | -151.6 | 175.3 | -179.7 | 0 | 0 | 113.2 | L62 L63 Y64 | E60-L62 VanDerWaalsContact C-N 3.28Å; E60-L62 PolarHBondContact O-N 2.91Å; E60-L63 PolarHBondContact O-N 3.43Å; E60-Y64 HydrophobicContact CG-CE2 4.38Å; E60-Y64 WeakPolarHBondContact O-CD2 3.35Å; E60-Y64 VanDerWaalsContact O-CE2 3.31Å; E60-Y64 WeakPolarHBondContact O-CE2 2.99Å |
| 61 | E | 44.7 | Very low | 44.8 | Very low | 185 Ų | 185 | 108.3 Ų | 108.3 | 86% | 0.864 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.7 | -21.1 | 177 | -61.8 | -177.7 | 179.4 | 0 | 0 | 114 | P59 | P59-E61 PolarHBondContact O-N 2.89Å |
| 62 | L | 46.9 | Very low | 45.6 | Very low | 72 Ų | 72 | 113 Ų | 113 | 38% | 0.377 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -100.8 | -10.9 | -179.4 | -143.5 | 73.1 | 0 | 0 | 0 | 112.8 | P59 E60 Y64 Y65 | P59-L62 PolarHBondContact O-N 3.39Å; E60-L62 VanDerWaalsContact C-N 3.28Å; E60-L62 PolarHBondContact O-N 2.91Å; L62-Y64 VanDerWaalsContact C-N 3.27Å; L62-Y64 PolarHBondContact O-N 3.18Å; L62-Y65 WeakPolarHBondContact O-CB 2.87Å; L62-Y65 PolarHBondContact O-N 3.47Å |
| 63 | L | 49 | Very low | 46 | Very low | 107 Ų | 107 | 113.5 Ų | 113.5 | 56% | 0.56 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -70.2 | -28 | 178.9 | -142.3 | 130.4 | 0 | 0 | 0 | 111.6 | E60 Y65 | E60-L63 PolarHBondContact O-N 3.43Å; L63-Y65 VanDerWaalsContact C-N 3.31Å |
| 64 | Y | 50.6 | Low | 46.4 | Very low | 178 Ų | 178 | 117 Ų | 117 | 70% | 0.698 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -1 | 174.6 | -58.1 | -78.9 | 0 | 0 | 0 | 113.8 | E60 L62 | E60-Y64 HydrophobicContact CG-CE2 4.38Å; E60-Y64 WeakPolarHBondContact O-CD2 3.35Å; E60-Y64 VanDerWaalsContact O-CE2 3.31Å; E60-Y64 WeakPolarHBondContact O-CE2 2.99Å; L62-Y64 VanDerWaalsContact C-N 3.27Å; L62-Y64 PolarHBondContact O-N 3.18Å |
| 65 | Y | 48 | Very low | 46.6 | Very low | 72 Ų | 72 | 116.9 Ų | 116.9 | 28% | 0.282 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.9 | -37.9 | -177.5 | -167.8 | -96.5 | 0 | 0 | 0 | 113.3 | L62 L63 R94 | L62-Y65 WeakPolarHBondContact O-CB 2.87Å; L62-Y65 PolarHBondContact O-N 3.47Å; L63-Y65 VanDerWaalsContact C-N 3.31Å; Y65-R94 HydrophobicContact CD1-CG 3.96Å; Y65-R94 HydrophobicContact CE1-CB 4.48Å; Y65-R94 HydrophobicContact CE1-CG 3.34Å; Y65-R94 HydrophobicContact CE2-CG 4.21Å; Y65-R94 VanDerWaalsContact CZ-CG 3.48Å; Y65-R94 PolarHBondContact OH-NE 3.43Å; Y65-R94 PolarHBondContact OH-NH2 3.01Å |
| 66 | C | 47 | Very low | 46.8 | Very low | 19 Ų | 19 | 115.9 Ų | 115.9 | 13% | 0.128 | 56% | 0.562 | C | S | . | * | trans | -105.5 | 96.3 | 177.3 | -75.1 | 0 | 0 | 0 | 0 | 107.7 | H68 C82 | C66-H68 VanDerWaalsContact C-N 3.31Å; C66-H68 PolarHBondContact O-N 3.24Å; C66-C82 WeakPolarHBondContact CB-SG 3.41Å; C66-C82 WeakPolarHBondContact SG-CB 3.28Å; C66-C82 CovalentContact SG-SG 2.12Å; C66-C82 PolarHBondContact SG-SG 2.78Å | ||
| 67 | I | 53.8 | Low | 46.7 | Very low | 119 Ų | 119 | 119.8 Ų | 119.8 | 61% | 0.61 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -30.8 | -170.1 | -56.6 | 171.7 | 0 | 0 | 0 | 112.4 | ||
| 68 | H | 48.8 | Very low | 46.4 | Very low | 99 Ų | 99 | 121.5 Ų | 121.5 | 46% | 0.458 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -137 | 57.6 | -174.9 | -66.1 | -53.3 | 0 | 0 | 0 | 113 | C66 Y90 | C66-H68 VanDerWaalsContact C-N 3.31Å; C66-H68 PolarHBondContact O-N 3.24Å; H68-Y90 AromaticContact CD2-CE1 3.99Å |
| 69 | G | 51.2 | Low | 46.3 | Very low | 36 Ų | 36 | 123.1 Ų | 123.1 | 37% | 0.371 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -162 | 160.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 70 | E | 51.5 | Low | 45.9 | Very low | 165 Ų | 165 | 124.7 Ų | 124.7 | 77% | 0.771 | 60% | 0.6 | S | S | * | * | trans | -94.8 | 103 | 176.7 | -69 | -172.6 | 165.8 | 0 | 0 | 114.9 | L84 | E70-L84 VanDerWaalsContact N-CD2 3.28Å; E70-L84 WeakPolarHBondContact O-CD1 3.07Å; E70-L84 WeakPolarHBondContact O-CD2 3.39Å; E70-L84 WeakPolarHBondContact O-CG 3.21Å | ||
| 71 | C | 47.5 | Very low | 45.7 | Very low | 63 Ų | 63 | 120.9 Ų | 120.9 | 43% | 0.426 | 59% | 0.59 | S | S | . | * | trans | -57.7 | 131.5 | -175.3 | -175.5 | 0 | 0 | 0 | 0 | 115.3 | C58 | C58-C71 HydrophobicContact CB-CB 3.95Å; C58-C71 WeakPolarHBondContact CB-SG 3.16Å; C58-C71 WeakPolarHBondContact SG-CB 3.35Å; C58-C71 CovalentContact SG-SG 2.06Å; C58-C71 PolarHBondContact SG-SG 3.28Å | ||
| 72 | R | 46.2 | Very low | 45.6 | Very low | 211 Ų | 211 | 114.1 Ų | 114.1 | 80% | 0.796 | 56% | 0.563 | S | S | * | * | trans | -131.5 | 125 | 164.7 | -75.2 | -171.1 | 179.1 | 178.2 | 0.3 | 110.5 | L84 | R72-L84 HydrophobicContact CB-CD1 4.35Š| ||
| 73 | Y | 41.7 | Very low | 45.5 | Very low | 145 Ų | 145 | 115.8 Ų | 115.8 | 57% | 0.569 | 58% | 0.58 | S | S | * | * | trans | -105.8 | 124.3 | -176.4 | -175.8 | -100 | 0 | 0 | 0 | 111.2 | K75 | Y73-K75 HydrophobicContact CE1-CB 4.14Å; Y73-K75 HydrophobicContact CE1-CG 3.97Å | ||
| 74 | I | 46.1 | Very low | 45.4 | Very low | 141 Ų | 141 | 112.3 Ų | 112.3 | 72% | 0.723 | 56% | 0.562 | S | S | * | * | trans | -113.9 | 119.3 | 175.9 | -58.9 | 174.3 | 0 | 0 | 0 | 108.5 | E76 | I74-E76 VanDerWaalsContact C-N 3.34Å; I74-E76 PolarHBondContact O-N 3.31Å | ||
| 75 | K | 41.7 | Very low | 45.5 | Very low | 115 Ų | 115 | 115.2 Ų | 115.2 | 50% | 0.5 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.7 | -4.3 | -162.3 | -155.6 | 168.8 | -175.7 | -177 | 0 | 115.5 | H54 Y73 | H54-K75 HydrophobicContact CB-CD 4.2Å; H54-K75 PolarHBondContact CE1-NZ 2.88Å; H54-K75 PolarHBondContact ND1-NZ 2.87Å; H54-K75 PolarHBondContact NE2-NZ 3.37Å; Y73-K75 HydrophobicContact CE1-CB 4.14Å; Y73-K75 HydrophobicContact CE1-CG 3.97Å |
| 76 | E | 43.3 | Very low | 45.7 | Very low | 191 Ų | 191 | 113.1 Ų | 113.1 | 89% | 0.893 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -9.1 | -172.4 | -67.6 | -161.6 | 161.1 | 0 | 0 | 115.4 | I74 | I74-E76 VanDerWaalsContact C-N 3.34Å; I74-E76 PolarHBondContact O-N 3.31Å |
| 77 | Q | 40.6 | Very low | 46 | Very low | 155 Ų | 155 | 118.9 Ų | 118.9 | 72% | 0.724 | 59% | 0.592 | S | S | * | * | trans | -124 | 107.4 | 176.6 | -150.7 | 158.3 | 77.9 | 0 | 0 | 107.8 | A79 | Q77-A79 HydrophobicContact CG-CB 4.41Å; Q77-A79 PolarHBondContact O-N 2.93Å | ||
| 78 | K | 40.5 | Very low | 45.9 | Very low | 226 Ų | 226 | 118.7 Ų | 118.7 | 98% | 0.983 | 60% | 0.596 | S | S | * | * | trans | -62.3 | 42.1 | 173.2 | -101.5 | 178 | 176.5 | 175.2 | 0 | 112.5 | ||||
| 79 | A | 38.6 | Very low | 45.9 | Very low | 58 Ų | 58 | 118 Ų | 118 | 48% | 0.479 | 60% | 0.596 | S | S | . | * | trans | -122.3 | 104.6 | 176 | 0 | 0 | 0 | 0 | 0 | 107.5 | Q77 S81 | Q77-A79 HydrophobicContact CG-CB 4.41Å; Q77-A79 PolarHBondContact O-N 2.93Å; A79-S81 PolarHBondContact O-N 2.96Å | ||
| 80 | T | 39.5 | Very low | 46 | Very low | 116 Ų | 116 | 119.7 Ų | 119.7 | 71% | 0.712 | 59% | 0.591 | S | S | * | * | trans | -69.4 | 72.2 | 170.1 | -28.7 | 0 | 0 | 0 | 0 | 108.7 | H93 | T80-H93 PolarHBondContact O-CE1 3.36Š| ||
| 81 | S | 43.4 | Very low | 46.2 | Very low | 66 Ų | 66 | 117.4 Ų | 117.4 | 46% | 0.462 | 58% | 0.58 | S | S | . | * | trans | -97.4 | 120.7 | 165.5 | 48.3 | 0 | 0 | 0 | 0 | 106.8 | A79 S83 | A79-S81 PolarHBondContact O-N 2.96Å; S81-S83 PolarHBondContact O-N 3.48Å | ||
| 82 | C | 42.8 | Very low | 46.5 | Very low | 43 Ų | 43 | 116.1 Ų | 116.1 | 29% | 0.291 | 58% | 0.578 | S | S | . | * | trans | -65.9 | 76.7 | 161.3 | -143.7 | 0 | 0 | 0 | 0 | 104.4 | C66 L84 H93 | C66-C82 WeakPolarHBondContact CB-SG 3.41Å; C66-C82 WeakPolarHBondContact SG-CB 3.28Å; C66-C82 CovalentContact SG-SG 2.12Å; C66-C82 PolarHBondContact SG-SG 2.78Å; C82-L84 PolarHBondContact O-N 3.28Å; C82-L84 VanDerWaalsContact O-N 3.16Å; C82-H93 VanDerWaalsContact CB-O 3.28Å; C82-H93 WeakPolarHBondContact CB-O 3.22Å | ||
| 83 | S | 44.1 | Very low | 46.8 | Very low | 106 Ų | 106 | 111.2 Ų | 111.2 | 74% | 0.741 | 56% | 0.564 | S | S | * | * | trans | -86.4 | 39 | 178.7 | 74.3 | 0 | 0 | 0 | 0 | 109.6 | S81 | S81-S83 PolarHBondContact O-N 3.48Š| ||
| 84 | L | 47.3 | Very low | 47.1 | Very low | 34 Ų | 34 | 110 Ų | 110 | 18% | 0.178 | 56% | 0.558 | C | S | . | * | trans | -104.3 | 133.3 | -169.2 | -167.8 | 81.6 | 0 | 0 | 0 | 109.1 | E70 R72 C82 C86 | E70-L84 VanDerWaalsContact N-CD2 3.28Å; E70-L84 WeakPolarHBondContact O-CD1 3.07Å; E70-L84 WeakPolarHBondContact O-CD2 3.39Å; E70-L84 WeakPolarHBondContact O-CG 3.21Å; R72-L84 HydrophobicContact CB-CD1 4.35Å; C82-L84 PolarHBondContact O-N 3.28Å; C82-L84 VanDerWaalsContact O-N 3.16Å; L84-C86 PolarHBondContact O-N 3.38Å | ||
| 85 | R | 52 | Low | 47.5 | Very low | 239 Ų | 239 | 103.4 Ų | 103.4 | 90% | 0.902 | 53% | 0.525 | S | S | * | . | trans | -52.2 | 97.4 | 173.2 | -161.9 | 172.8 | -167.6 | -170.2 | 2.5 | 109.3 | ||||
| 86 | C | 51.2 | Low | 47.9 | Very low | 28 Ų | 28 | 103.7 Ų | 103.7 | 19% | 0.189 | 53% | 0.528 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 153.8 | 172.6 | -56.4 | 0 | 0 | 0 | 0 | 109.4 | L84 Y90 C95 | L84-C86 PolarHBondContact O-N 3.38Å; C86-Y90 WeakPolarHBondContact CB-O 3.34Å; C86-C95 HydrophobicContact CB-CB 3.95Å; C86-C95 WeakPolarHBondContact CB-SG 3.25Å; C86-C95 WeakPolarHBondContact SG-CB 3.44Å; C86-C95 CovalentContact SG-SG 2.05Å; C86-C95 PolarHBondContact SG-SG 3.31Å |
| 87 | H | 53.7 | Low | 48.5 | Very low | 141 Ų | 141 | 102.1 Ų | 102.1 | 65% | 0.653 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -55.2 | 150.8 | 171.7 | -143.5 | -93.2 | 0 | 0 | 0 | 110.4 | N89 Y90 | H87-N89 PolarHBondContact O-N 2.94Å; H87-N89 VanDerWaalsContact O-N 3.15Å; H87-Y90 HydrophobicContact CB-CD2 4.33Å; H87-Y90 PolarHBondContact O-N 3.23Å; H87-Y90 VanDerWaalsContact O-N 3.07Å |
| 88 | V | 52.5 | Low | 49.2 | Very low | 114 Ų | 114 | 97.7 Ų | 97.7 | 69% | 0.691 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | 123.7 | -174 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | ||
| 89 | N | 49.3 | Very low | 49.8 | Very low | 86 Ų | 86 | 88.9 Ų | 88.9 | 46% | 0.46 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 23.8 | -176.9 | -46.5 | -54.2 | 0 | 0 | 0 | 117.8 | H87 V98 T99 | H87-N89 PolarHBondContact O-N 2.94Å; H87-N89 VanDerWaalsContact O-N 3.15Å; N89-V98 WeakPolarHBondContact O-CA 3.42Å; N89-T99 VanDerWaalsContact C-OG1 3.23Å; N89-T99 WeakPolarHBondContact CA-OG1 3.32Å; N89-T99 PolarHBondContact O-N 2.81Å; N89-T99 PolarHBondContact O-OG1 3.48Å |
| 90 | Y | 52.4 | Low | 50.5 | Low | 71 Ų | 71 | 90.8 Ų | 90.8 | 28% | 0.278 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 139.3 | 171.2 | -71 | -102.5 | 0 | 0 | 0 | 110.9 | H68 C86 H87 Y97 V98 | H68-Y90 AromaticContact CD2-CE1 3.99Å; C86-Y90 WeakPolarHBondContact CB-O 3.34Å; H87-Y90 HydrophobicContact CB-CD2 4.33Å; H87-Y90 PolarHBondContact O-N 3.23Å; H87-Y90 VanDerWaalsContact O-N 3.07Å; Y90-Y97 CarbonylContact C-O 3.56Å; Y90-Y97 WeakPolarHBondContact CA-O 3.4Å; Y90-V98 HydrophobicContact CD1-CG2 3.72Å; Y90-V98 HydrophobicContact CE1-CB 4.43Å; Y90-V98 HydrophobicContact CE1-CG2 3.16Å; Y90-V98 HydrophobicContact CE2-CG2 4.13Å; Y90-V98 HydrophobicContact CG-CG2 4.41Å |
| 91 | H | 55.2 | Low | 51.1 | Low | 116 Ų | 116 | 91.3 Ų | 91.3 | 54% | 0.537 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 162.1 | 179.2 | -71.8 | -76.4 | 0 | 0 | 0 | 112.4 | Y97 T99 | H91-Y97 PolarHBondContact N-O 3.2Å; H91-Y97 WeakPolarHBondContact O-CB 3.49Å; H91-Y97 PolarHBondContact O-N 2.91Å; H91-T99 PolarHBondContact CD2-OG1 2.95Å |
| 92 | G | 54.1 | Low | 51.4 | Low | 37 Ų | 37 | 93.9 Ų | 93.9 | 38% | 0.381 | 47% | 0.472 | S | S | . | . | S | Bend | trans | 119.5 | 164.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R94 C95 | G92-R94 PolarHBondContact O-N 2.89Å; G92-C95 PolarHBondContact O-N 2.96Å |
| 93 | H | 52.1 | Low | 51.6 | Low | 107 Ų | 107 | 95.8 Ų | 95.8 | 50% | 0.495 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -14.6 | 179.6 | -172.4 | 79.4 | 0 | 0 | 0 | 113.7 | T80 C82 | T80-H93 PolarHBondContact O-CE1 3.36Å; C82-H93 VanDerWaalsContact CB-O 3.28Å; C82-H93 WeakPolarHBondContact CB-O 3.22Å |
| 94 | R | 48.7 | Very low | 51.9 | Low | 119 Ų | 119 | 93.9 Ų | 93.9 | 45% | 0.449 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | 5 | 176.2 | -73.8 | 177.7 | 178.1 | -162 | -3.7 | 113.9 | Y65 G92 E96 | Y65-R94 HydrophobicContact CD1-CG 3.96Å; Y65-R94 HydrophobicContact CE1-CB 4.48Å; Y65-R94 HydrophobicContact CE1-CG 3.34Å; Y65-R94 HydrophobicContact CE2-CG 4.21Å; Y65-R94 VanDerWaalsContact CZ-CG 3.48Å; Y65-R94 PolarHBondContact OH-NE 3.43Å; Y65-R94 PolarHBondContact OH-NH2 3.01Å; G92-R94 PolarHBondContact O-N 2.89Å; R94-E96 HydrophobicContact CB-CB 4.31Å; R94-E96 PolarHBondContact O-N 3.19Å; R94-E96 VanDerWaalsContact O-N 3.15Å |
| 95 | C | 53.6 | Low | 52.2 | Low | 4 Ų | 4 | 93.5 Ų | 93.5 | 3% | 0.027 | 46% | 0.462 | C | S | . | . | S | Bend | trans | 48.6 | 32.1 | -167 | -55 | 0 | 0 | 0 | 0 | 113.9 | C86 G92 | C86-C95 HydrophobicContact CB-CB 3.95Å; C86-C95 WeakPolarHBondContact CB-SG 3.25Å; C86-C95 WeakPolarHBondContact SG-CB 3.44Å; C86-C95 CovalentContact SG-SG 2.05Å; C86-C95 PolarHBondContact SG-SG 3.31Å; G92-C95 PolarHBondContact O-N 2.96Å |
| 96 | E | 51.9 | Low | 52.4 | Low | 120 Ų | 120 | 89.8 Ų | 89.8 | 56% | 0.561 | 45% | 0.447 | S | S | * | . | trans | -78.7 | -23.4 | -177 | -173.2 | 174.9 | 171.8 | 0 | 0 | 112.6 | R94 | R94-E96 HydrophobicContact CB-CB 4.31Å; R94-E96 PolarHBondContact O-N 3.19Å; R94-E96 VanDerWaalsContact O-N 3.15Å | ||
| 97 | Y | 54.4 | Low | 52.8 | Low | 158 Ų | 158 | 95.4 Ų | 95.4 | 62% | 0.62 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 111.3 | -175.9 | -54 | -78.8 | 0 | 0 | 0 | 110.3 | Y90 H91 T99 | Y90-Y97 CarbonylContact C-O 3.56Å; Y90-Y97 WeakPolarHBondContact CA-O 3.4Å; H91-Y97 PolarHBondContact N-O 3.2Å; H91-Y97 WeakPolarHBondContact O-CB 3.49Å; H91-Y97 PolarHBondContact O-N 2.91Å; Y97-T99 PolarHBondContact O-N 3.49Å |
| 98 | V | 55 | Low | 53.3 | Low | 62 Ų | 62 | 93.8 Ų | 93.8 | 38% | 0.376 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 131.7 | 156.5 | 165.8 | 0 | 0 | 0 | 0 | 107.4 | N89 Y90 L100 | N89-V98 WeakPolarHBondContact O-CA 3.42Å; Y90-V98 HydrophobicContact CD1-CG2 3.72Å; Y90-V98 HydrophobicContact CE1-CB 4.43Å; Y90-V98 HydrophobicContact CE1-CG2 3.16Å; Y90-V98 HydrophobicContact CE2-CG2 4.13Å; Y90-V98 HydrophobicContact CG-CG2 4.41Å; V98-L100 HydrophobicContact CB-CG 4.48Å; V98-L100 HydrophobicContact CG1-CD2 4.34Å; V98-L100 HydrophobicContact CG1-CG 3.91Å; V98-L100 PolarHBondContact O-N 3.31Å |
| 99 | T | 54.1 | Low | 54.2 | Low | 42 Ų | 42 | 95.2 Ų | 95.2 | 26% | 0.258 | 46% | 0.456 | S | S | . | . | trans | -68.6 | 73.2 | 167.5 | 6.6 | 0 | 0 | 0 | 0 | 109.4 | N89 H91 Y97 D101 L102 | N89-T99 VanDerWaalsContact C-OG1 3.23Å; N89-T99 WeakPolarHBondContact CA-OG1 3.32Å; N89-T99 PolarHBondContact O-N 2.81Å; N89-T99 PolarHBondContact O-OG1 3.48Å; H91-T99 PolarHBondContact CD2-OG1 2.95Å; Y97-T99 PolarHBondContact O-N 3.49Å; T99-D101 PolarHBondContact O-N 2.98Å; T99-L102 PolarHBondContact O-N 3.01Å | ||
| 100 | L | 53.6 | Low | 55.4 | Low | 97 Ų | 97 | 95.8 Ų | 95.8 | 51% | 0.508 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -24.6 | 167.3 | -79.8 | 166.1 | 0 | 0 | 0 | 109.8 | V98 L102 Q103 I104 | V98-L100 HydrophobicContact CB-CG 4.48Å; V98-L100 HydrophobicContact CG1-CD2 4.34Å; V98-L100 HydrophobicContact CG1-CG 3.91Å; V98-L100 PolarHBondContact O-N 3.31Å; L100-L102 VanDerWaalsContact C-N 3.27Å; L100-L102 PolarHBondContact O-N 3.33Å; L100-Q103 CarbonylContact O-C 3.44Å; L100-Q103 WeakPolarHBondContact O-CA 3.43Å; L100-Q103 PolarHBondContact O-N 3.26Å; L100-I104 WeakPolarHBondContact O-CB 3.45Å; L100-I104 PolarHBondContact O-N 2.89Å |
| 101 | D | 51.9 | Low | 56.8 | Low | 127 Ų | 127 | 97.8 Ų | 97.8 | 68% | 0.679 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -53.7 | -36.7 | 175.6 | -93.4 | -77.1 | 0 | 0 | 0 | 114.2 | T99 Q103 G105 | T99-D101 PolarHBondContact O-N 2.98Å; D101-Q103 VanDerWaalsContact C-N 3.26Å; D101-Q103 PolarHBondContact O-N 3.26Å; D101-G105 PolarHBondContact O-N 3.4Å |
| 102 | L | 48.9 | Very low | 58.2 | Low | 120 Ų | 120 | 97 Ų | 97 | 63% | 0.628 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -70.9 | -27.5 | 177.6 | -143.2 | 82.2 | 0 | 0 | 0 | 111.8 | T99 L100 | T99-L102 PolarHBondContact O-N 3.01Å; L100-L102 VanDerWaalsContact C-N 3.27Å; L100-L102 PolarHBondContact O-N 3.33Å |
| 103 | Q | 47.9 | Very low | 59.5 | Low | 83 Ų | 83 | 97 Ų | 97 | 39% | 0.388 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -92.2 | -29.9 | 178 | -148.1 | 174.7 | 26.9 | 0 | 0 | 112.1 | L100 D101 R106 R107 | L100-Q103 CarbonylContact O-C 3.44Å; L100-Q103 WeakPolarHBondContact O-CA 3.43Å; L100-Q103 PolarHBondContact O-N 3.26Å; D101-Q103 VanDerWaalsContact C-N 3.26Å; D101-Q103 PolarHBondContact O-N 3.26Å; Q103-R106 PolarHBondContact O-N 3.42Å; Q103-R107 WeakPolarHBondContact O-CB 3.43Å; Q103-R107 WeakPolarHBondContact O-CG 3.33Å; Q103-R107 PolarHBondContact O-N 2.94Å |
| 104 | I | 51.1 | Low | 60.9 | Low | 67 Ų | 67 | 95.6 Ų | 95.6 | 34% | 0.344 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.2 | -46.4 | 173.1 | -117.1 | 72.4 | 0 | 0 | 0 | 109 | L100 R106 R107 E108 | L100-I104 WeakPolarHBondContact O-CB 3.45Å; L100-I104 PolarHBondContact O-N 2.89Å; I104-R106 PolarHBondContact O-N 3.33Å; I104-R107 PolarHBondContact O-N 3.43Å; I104-E108 WeakPolarHBondContact O-CB 3.47Å; I104-E108 VanDerWaalsContact O-CG 3.24Å; I104-E108 WeakPolarHBondContact O-CG 3.35Å; I104-E108 PolarHBondContact O-N 3.49Å |
| 105 | G | 53 | Low | 62.8 | Low | 26 Ų | 26 | 92.7 Ų | 92.7 | 27% | 0.268 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.2 | -37.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D101 Q109 | D101-G105 PolarHBondContact O-N 3.4Å; G105-Q109 VanDerWaalsContact O-CB 3.25Å; G105-Q109 WeakPolarHBondContact O-CB 3.25Å; G105-Q109 WeakPolarHBondContact O-CG 3.4Å; G105-Q109 PolarHBondContact O-N 3.26Å; G105-Q109 PolarHBondContact O-NE2 3.03Å |
| 106 | R | 55.9 | Low | 64.5 | Low | 161 Ų | 161 | 97 Ų | 97 | 61% | 0.608 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -75.1 | -42.2 | 176.1 | -146.8 | -157.3 | -57.5 | 170.3 | -2.1 | 113 | Q103 I104 I110 | Q103-R106 PolarHBondContact O-N 3.42Å; I104-R106 PolarHBondContact O-N 3.33Å; R106-I110 HydrophobicContact CG-CD1 4.48Å; R106-I110 VanDerWaalsContact O-CD1 3.28Å; R106-I110 WeakPolarHBondContact O-CD1 3.35Å; R106-I110 WeakPolarHBondContact O-CG1 3.37Å; R106-I110 PolarHBondContact O-N 3.47Å |
| 107 | R | 60.4 | Low | 65.9 | Low | 146 Ų | 146 | 93.9 Ų | 93.9 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -72.6 | -40.5 | -178.7 | -76.1 | -178.2 | -172.2 | -155.4 | 8.2 | 112 | Q103 I104 I110 I111 | Q103-R107 WeakPolarHBondContact O-CB 3.43Å; Q103-R107 WeakPolarHBondContact O-CG 3.33Å; Q103-R107 PolarHBondContact O-N 2.94Å; I104-R107 PolarHBondContact O-N 3.43Å; R107-I110 PolarHBondContact O-N 2.88Å; R107-I111 VanDerWaalsContact O-CG1 3.24Å; R107-I111 WeakPolarHBondContact O-CG1 3.23Å; R107-I111 PolarHBondContact O-N 2.89Å |
| 108 | E | 63.2 | Low | 67.4 | Low | 107 Ų | 107 | 90.4 Ų | 90.4 | 50% | 0.5 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 174.7 | -69.8 | -174.4 | 172.4 | 0 | 0 | 110.9 | I104 I110 I111 I112 | I104-E108 WeakPolarHBondContact O-CB 3.47Å; I104-E108 VanDerWaalsContact O-CG 3.24Å; I104-E108 WeakPolarHBondContact O-CG 3.35Å; I104-E108 PolarHBondContact O-N 3.49Å; E108-I110 VanDerWaalsContact C-N 3.3Å; E108-I110 PolarHBondContact O-N 2.95Å; E108-I111 PolarHBondContact O-N 3.28Å; E108-I112 WeakPolarHBondContact O-CB 3.25Å; E108-I112 WeakPolarHBondContact O-CD1 3.47Å; E108-I112 WeakPolarHBondContact O-CG1 3.33Å; E108-I112 PolarHBondContact O-N 2.82Å |
| 109 | Q | 70.9 | Confident | 69.1 | Low | 143 Ų | 143 | 92.9 Ų | 92.9 | 67% | 0.668 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.1 | -38.4 | 173.9 | -75.4 | 179.7 | 40.5 | 0 | 0 | 112.7 | G105 G113 | G105-Q109 VanDerWaalsContact O-CB 3.25Å; G105-Q109 WeakPolarHBondContact O-CB 3.25Å; G105-Q109 WeakPolarHBondContact O-CG 3.4Å; G105-Q109 PolarHBondContact O-N 3.26Å; G105-Q109 PolarHBondContact O-NE2 3.03Å; Q109-G113 PolarHBondContact O-N 3.38Å |
| 110 | I | 76.1 | Confident | 70.6 | Confident | 98 Ų | 98 | 95.8 Ų | 95.8 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 174.5 | -69.5 | 161.9 | 0 | 0 | 0 | 110.8 | R106 R107 E108 G113 C114 | R106-I110 HydrophobicContact CG-CD1 4.48Å; R106-I110 VanDerWaalsContact O-CD1 3.28Å; R106-I110 WeakPolarHBondContact O-CD1 3.35Å; R106-I110 WeakPolarHBondContact O-CG1 3.37Å; R106-I110 PolarHBondContact O-N 3.47Å; R107-I110 PolarHBondContact O-N 2.88Å; E108-I110 VanDerWaalsContact C-N 3.3Å; E108-I110 PolarHBondContact O-N 2.95Å; I110-G113 PolarHBondContact O-N 3.2Å; I110-C114 WeakPolarHBondContact O-CB 3.22Å; I110-C114 PolarHBondContact O-N 2.86Å; I110-C114 PolarHBondContact O-SG 3.25Å; I110-C114 VanDerWaalsContact O-SG 3.35Å |
| 111 | I | 81.5 | Confident | 72 | Confident | 113 Ų | 113 | 95.6 Ų | 95.6 | 58% | 0.579 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.1 | -45.2 | 180 | -68.5 | 163.6 | 0 | 0 | 0 | 110.7 | R107 E108 C114 A115 | R107-I111 VanDerWaalsContact O-CG1 3.24Å; R107-I111 WeakPolarHBondContact O-CG1 3.23Å; R107-I111 PolarHBondContact O-N 2.89Å; E108-I111 PolarHBondContact O-N 3.28Å; I111-C114 PolarHBondContact O-N 2.9Å; I111-A115 WeakPolarHBondContact O-CB 3.47Å; I111-A115 PolarHBondContact O-N 2.87Å |
| 112 | I | 83.1 | Confident | 73.6 | Confident | 99 Ų | 99 | 94.1 Ų | 94.1 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -46.6 | 177.3 | -66 | 163 | 0 | 0 | 0 | 110.2 | E108 C114 A115 I116 | E108-I112 WeakPolarHBondContact O-CB 3.25Å; E108-I112 WeakPolarHBondContact O-CD1 3.47Å; E108-I112 WeakPolarHBondContact O-CG1 3.33Å; E108-I112 PolarHBondContact O-N 2.82Å; I112-C114 PolarHBondContact O-N 3.28Å; I112-A115 PolarHBondContact O-N 3.36Å; I112-I116 HydrophobicContact CG2-CD1 3.85Å; I112-I116 VanDerWaalsContact O-CG1 3.32Å; I112-I116 WeakPolarHBondContact O-CG1 3.19Å; I112-I116 PolarHBondContact O-N 2.87Å |
| 113 | G | 81.7 | Confident | 75.4 | Confident | 39 Ų | 39 | 93.6 Ų | 93.6 | 40% | 0.402 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q109 I110 I116 A117 | Q109-G113 PolarHBondContact O-N 3.38Å; I110-G113 PolarHBondContact O-N 3.2Å; G113-I116 PolarHBondContact O-N 2.92Å; G113-A117 WeakPolarHBondContact O-CB 3.43Å; G113-A117 PolarHBondContact O-N 3.01Å |
| 114 | C | 82.9 | Confident | 77.1 | Confident | 76 Ų | 76 | 92.6 Ų | 92.6 | 51% | 0.514 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 174.9 | -76.8 | 0 | 0 | 0 | 0 | 112.1 | I110 I111 I112 I116 A117 V118 | I110-C114 WeakPolarHBondContact O-CB 3.22Å; I110-C114 PolarHBondContact O-N 2.86Å; I110-C114 PolarHBondContact O-SG 3.25Å; I110-C114 VanDerWaalsContact O-SG 3.35Å; I111-C114 PolarHBondContact O-N 2.9Å; I112-C114 PolarHBondContact O-N 3.28Å; C114-I116 PolarHBondContact O-N 3.46Å; C114-A117 PolarHBondContact O-N 3.35Å; C114-V118 WeakPolarHBondContact O-CG2 3.18Å; C114-V118 PolarHBondContact O-N 3.35Å |
| 115 | A | 88.6 | Confident | 78.7 | Confident | 59 Ų | 59 | 92.9 Ų | 92.9 | 49% | 0.488 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I111 I112 V118 L119 | I111-A115 WeakPolarHBondContact O-CB 3.47Å; I111-A115 PolarHBondContact O-N 2.87Å; I112-A115 PolarHBondContact O-N 3.36Å; A115-V118 PolarHBondContact O-N 3.03Å; A115-L119 WeakPolarHBondContact O-CB 3.21Å; A115-L119 PolarHBondContact O-N 3.28Å |
| 116 | I | 88.4 | Confident | 80.3 | Confident | 93 Ų | 93 | 95.6 Ų | 95.6 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 177 | -65.3 | 165 | 0 | 0 | 0 | 110.7 | I112 G113 C114 V118 L119 L120 | I112-I116 HydrophobicContact CG2-CD1 3.85Å; I112-I116 VanDerWaalsContact O-CG1 3.32Å; I112-I116 WeakPolarHBondContact O-CG1 3.19Å; I112-I116 PolarHBondContact O-N 2.87Å; G113-I116 PolarHBondContact O-N 2.92Å; C114-I116 PolarHBondContact O-N 3.46Å; I116-V118 VanDerWaalsContact C-N 3.35Å; I116-V118 PolarHBondContact O-N 3.48Å; I116-L119 PolarHBondContact O-N 3.39Å; I116-L120 HydrophobicContact CG2-CD1 3.94Å; I116-L120 HydrophobicContact CG2-CG 4.31Å; I116-L120 WeakPolarHBondContact O-CG 3.43Å; I116-L120 PolarHBondContact O-N 2.88Å |
| 117 | A | 82.3 | Confident | 81.7 | Confident | 55 Ų | 55 | 92.2 Ų | 92.2 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60 | -43.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G113 C114 L121 | G113-A117 WeakPolarHBondContact O-CB 3.43Å; G113-A117 PolarHBondContact O-N 3.01Å; C114-A117 PolarHBondContact O-N 3.35Å; A117-L121 WeakPolarHBondContact O-CB 3.32Å; A117-L121 PolarHBondContact O-N 3Å |
| 118 | V | 85.4 | Confident | 82.7 | Confident | 85 Ų | 85 | 85.8 Ų | 85.8 | 52% | 0.515 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 176.7 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | C114 A115 I116 L120 L121 L122 | C114-V118 WeakPolarHBondContact O-CG2 3.18Å; C114-V118 PolarHBondContact O-N 3.35Å; A115-V118 PolarHBondContact O-N 3.03Å; I116-V118 VanDerWaalsContact C-N 3.35Å; I116-V118 PolarHBondContact O-N 3.48Å; V118-L120 PolarHBondContact O-N 2.9Å; V118-L121 PolarHBondContact O-N 3.49Å; V118-L122 HydrophobicContact CG1-CD1 4Å; V118-L122 HydrophobicContact CG1-CG 4.44Å; V118-L122 WeakPolarHBondContact O-CG 3.41Å; V118-L122 PolarHBondContact O-N 2.91Å |
| 119 | L | 89.4 | Confident | 83.7 | Confident | 114 Ų | 114 | 85.9 Ų | 85.9 | 60% | 0.597 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.9 | -45.7 | 178.6 | -165.6 | 77.8 | 0 | 0 | 0 | 111.5 | A115 I116 L121 L122 M123 | A115-L119 WeakPolarHBondContact O-CB 3.21Å; A115-L119 PolarHBondContact O-N 3.28Å; I116-L119 PolarHBondContact O-N 3.39Å; L119-L121 PolarHBondContact O-N 3.5Å; L119-L122 PolarHBondContact O-N 2.88Å; L119-M123 VanDerWaalsContact O-CG 3.32Å; L119-M123 WeakPolarHBondContact O-CG 3.24Å; L119-M123 PolarHBondContact O-N 3.42Å |
| 120 | L | 85.8 | Confident | 84.4 | Confident | 103 Ų | 103 | 82.4 Ų | 82.4 | 54% | 0.539 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 177.1 | -69.4 | 175.4 | 0 | 0 | 0 | 111.8 | I116 V118 M123 I124 | I116-L120 HydrophobicContact CG2-CD1 3.94Å; I116-L120 HydrophobicContact CG2-CG 4.31Å; I116-L120 WeakPolarHBondContact O-CG 3.43Å; I116-L120 PolarHBondContact O-N 2.88Å; V118-L120 PolarHBondContact O-N 2.9Å; L120-M123 PolarHBondContact O-N 3.24Å; L120-I124 WeakPolarHBondContact O-CD1 3.34Å; L120-I124 VanDerWaalsContact O-CG1 3.25Å; L120-I124 WeakPolarHBondContact O-CG1 3.27Å; L120-I124 PolarHBondContact O-N 2.67Å |
| 121 | L | 82.6 | Confident | 84.7 | Confident | 94 Ų | 94 | 81.7 Ų | 81.7 | 49% | 0.492 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 176.4 | -171.4 | 71.3 | 0 | 0 | 0 | 111.6 | A117 V118 L119 I124 L125 | A117-L121 WeakPolarHBondContact O-CB 3.32Å; A117-L121 PolarHBondContact O-N 3Å; V118-L121 PolarHBondContact O-N 3.49Å; L119-L121 PolarHBondContact O-N 3.5Å; L121-I124 PolarHBondContact O-N 2.65Å; L121-L125 HydrophobicContact CG-CD1 4.31Å; L121-L125 WeakPolarHBondContact O-CG 3.44Å; L121-L125 PolarHBondContact O-N 3.48Å |
| 122 | L | 86.4 | Confident | 84.7 | Confident | 95 Ų | 95 | 79.1 Ų | 79.1 | 50% | 0.497 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 176.4 | -75.8 | 170.5 | 0 | 0 | 0 | 111.7 | V118 L119 I124 L125 V126 | V118-L122 HydrophobicContact CG1-CD1 4Å; V118-L122 HydrophobicContact CG1-CG 4.44Å; V118-L122 WeakPolarHBondContact O-CG 3.41Å; V118-L122 PolarHBondContact O-N 2.91Å; L119-L122 PolarHBondContact O-N 2.88Å; L122-I124 VanDerWaalsContact C-N 3.34Å; L122-I124 PolarHBondContact O-N 3.19Å; L122-L125 PolarHBondContact O-N 2.76Å; L122-V126 WeakPolarHBondContact O-CG2 3.24Å; L122-V126 PolarHBondContact O-N 3.24Å |
| 123 | M | 87.7 | Confident | 84.6 | Confident | 109 Ų | 109 | 77.1 Ų | 77.1 | 54% | 0.537 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 176.9 | -73.1 | -62.9 | -67.3 | 0 | 0 | 111.8 | L119 L120 L125 V126 I127 | L119-M123 VanDerWaalsContact O-CG 3.32Å; L119-M123 WeakPolarHBondContact O-CG 3.24Å; L119-M123 PolarHBondContact O-N 3.42Å; L120-M123 PolarHBondContact O-N 3.24Å; M123-L125 PolarHBondContact O-N 3.22Å; M123-V126 PolarHBondContact O-N 3.34Å; M123-I127 WeakPolarHBondContact O-CB 3.33Å; M123-I127 WeakPolarHBondContact O-CD1 3.25Å; M123-I127 WeakPolarHBondContact O-CG1 3.04Å; M123-I127 PolarHBondContact O-N 2.93Å |
| 124 | I | 83.4 | Confident | 84.6 | Confident | 62 Ų | 62 | 79.7 Ų | 79.7 | 32% | 0.318 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 177.6 | -67.6 | 164.7 | 0 | 0 | 0 | 111.2 | F3 L7 L120 L121 L122 S128 | F3-I124 HydrophobicContact CE2-CG2 4.23Å; L7-I124 HydrophobicContact CD2-CG2 4.4Å; L120-I124 WeakPolarHBondContact O-CD1 3.34Å; L120-I124 VanDerWaalsContact O-CG1 3.25Å; L120-I124 WeakPolarHBondContact O-CG1 3.27Å; L120-I124 PolarHBondContact O-N 2.67Å; L121-I124 PolarHBondContact O-N 2.65Å; L122-I124 VanDerWaalsContact C-N 3.34Å; L122-I124 PolarHBondContact O-N 3.19Å; I124-S128 WeakPolarHBondContact O-CB 3.31Å; I124-S128 PolarHBondContact O-N 2.79Å |
| 125 | L | 83.6 | Confident | 84.5 | Confident | 73 Ų | 73 | 82.8 Ų | 82.8 | 38% | 0.382 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 176.7 | -77.4 | 167.4 | 0 | 0 | 0 | 111.6 | F3 L121 L122 M123 S128 I129 | F3-L125 HydrophobicContact CZ-CD2 4.38Å; L121-L125 HydrophobicContact CG-CD1 4.31Å; L121-L125 WeakPolarHBondContact O-CG 3.44Å; L121-L125 PolarHBondContact O-N 3.48Å; L122-L125 PolarHBondContact O-N 2.76Å; M123-L125 PolarHBondContact O-N 3.22Å; L125-S128 WeakPolarHBondContact O-CB 3.39Å; L125-S128 PolarHBondContact O-N 3.48Å; L125-I129 VanDerWaalsContact O-CG1 3.27Å; L125-I129 WeakPolarHBondContact O-CG1 3.46Å; L125-I129 PolarHBondContact O-N 3.05Å |
| 126 | V | 87.6 | Confident | 84 | Confident | 84 Ų | 84 | 87.6 Ų | 87.6 | 51% | 0.509 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.1 | -49.7 | 178.5 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | L122 M123 S128 I129 C130 | L122-V126 WeakPolarHBondContact O-CG2 3.24Å; L122-V126 PolarHBondContact O-N 3.24Å; M123-V126 PolarHBondContact O-N 3.34Å; V126-S128 VanDerWaalsContact C-N 3.25Å; V126-S128 PolarHBondContact O-N 3.41Å; V126-I129 PolarHBondContact O-N 3.26Å; V126-C130 WeakPolarHBondContact O-CB 3.45Å; V126-C130 PolarHBondContact O-N 2.84Å; V126-C130 PolarHBondContact O-SG 3.01Å; V126-C130 VanDerWaalsContact O-SG 3.33Å |
| 127 | I | 85.3 | Confident | 83.5 | Confident | 89 Ų | 89 | 87 Ų | 87 | 46% | 0.456 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.2 | -42 | 178.1 | -68.2 | 166 | 0 | 0 | 0 | 110.5 | M123 C130 I131 | M123-I127 WeakPolarHBondContact O-CB 3.33Å; M123-I127 WeakPolarHBondContact O-CD1 3.25Å; M123-I127 WeakPolarHBondContact O-CG1 3.04Å; M123-I127 PolarHBondContact O-N 2.93Å; I127-C130 PolarHBondContact O-N 3.41Å; I127-I131 HydrophobicContact CG2-CD1 3.62Å; I127-I131 HydrophobicContact CG2-CG1 4.34Å; I127-I131 WeakPolarHBondContact O-CB 3.19Å; I127-I131 VanDerWaalsContact O-CG1 3.25Å; I127-I131 WeakPolarHBondContact O-CG1 3.43Å; I127-I131 PolarHBondContact O-N 3.22Å |
| 128 | S | 81.1 | Confident | 83.4 | Confident | 11 Ų | 11 | 92.4 Ų | 92.4 | 8% | 0.077 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -61.3 | -48.7 | 176.2 | 177.1 | 0 | 0 | 0 | 0 | 112.7 | F3 I124 L125 V126 C130 I131 C132 | F3-S128 WeakPolarHBondContact CD1-OG 3.27Å; F3-S128 WeakPolarHBondContact CD2-OG 3.44Å; F3-S128 WeakPolarHBondContact CE2-OG 3.33Å; F3-S128 WeakPolarHBondContact CG-OG 3.12Å; F3-S128 VanDerWaalsContact CZ-OG 3.28Å; F3-S128 WeakPolarHBondContact CZ-OG 3.26Å; I124-S128 WeakPolarHBondContact O-CB 3.31Å; I124-S128 PolarHBondContact O-N 2.79Å; L125-S128 WeakPolarHBondContact O-CB 3.39Å; L125-S128 PolarHBondContact O-N 3.48Å; V126-S128 VanDerWaalsContact C-N 3.25Å; V126-S128 PolarHBondContact O-N 3.41Å; S128-C130 VanDerWaalsContact C-N 3.3Å; S128-C130 PolarHBondContact O-N 2.88Å; S128-I131 PolarHBondContact O-N 3.36Å; S128-C132 WeakPolarHBondContact O-CB 3.28Å; S128-C132 PolarHBondContact O-N 2.9Å; S128-C132 PolarHBondContact O-SG 2.87Å |
| 129 | I | 84.3 | Confident | 82.9 | Confident | 110 Ų | 110 | 93.9 Ų | 93.9 | 56% | 0.564 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.6 | -42.9 | 178.7 | -67.5 | 163.7 | 0 | 0 | 0 | 109.7 | L125 V126 C132 S133 | L125-I129 VanDerWaalsContact O-CG1 3.27Å; L125-I129 WeakPolarHBondContact O-CG1 3.46Å; L125-I129 PolarHBondContact O-N 3.05Å; V126-I129 PolarHBondContact O-N 3.26Å; I129-C132 PolarHBondContact O-N 3.37Å; I129-S133 WeakPolarHBondContact O-CB 3.39Å; I129-S133 PolarHBondContact O-N 2.85Å; I129-S133 PolarHBondContact O-OG 2.83Å |
| 130 | C | 84.4 | Confident | 81.9 | Confident | 70 Ų | 70 | 96.1 Ų | 96.1 | 47% | 0.473 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 175.9 | -70.9 | 0 | 0 | 0 | 0 | 112.3 | V126 I127 S128 S133 H134 | V126-C130 WeakPolarHBondContact O-CB 3.45Å; V126-C130 PolarHBondContact O-N 2.84Å; V126-C130 PolarHBondContact O-SG 3.01Å; V126-C130 VanDerWaalsContact O-SG 3.33Å; I127-C130 PolarHBondContact O-N 3.41Å; S128-C130 VanDerWaalsContact C-N 3.3Å; S128-C130 PolarHBondContact O-N 2.88Å; C130-S133 WeakPolarHBondContact CA-OG 3.27Å; C130-S133 PolarHBondContact O-OG 2.98Å; C130-H134 WeakPolarHBondContact O-CB 3.49Å; C130-H134 PolarHBondContact O-N 3.47Å |
| 131 | I | 83.4 | Confident | 81.4 | Confident | 83 Ų | 83 | 92.8 Ų | 92.8 | 43% | 0.426 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.1 | -43.2 | 178.7 | -66.7 | 168.3 | 0 | 0 | 0 | 111 | I127 S128 H134 R135 | I127-I131 HydrophobicContact CG2-CD1 3.62Å; I127-I131 HydrophobicContact CG2-CG1 4.34Å; I127-I131 WeakPolarHBondContact O-CB 3.19Å; I127-I131 VanDerWaalsContact O-CG1 3.25Å; I127-I131 WeakPolarHBondContact O-CG1 3.43Å; I127-I131 PolarHBondContact O-N 3.22Å; S128-I131 PolarHBondContact O-N 3.36Å; I131-H134 PolarHBondContact O-N 3.49Å; I131-R135 HydrophobicContact CG2-CG 4.43Å; I131-R135 WeakPolarHBondContact O-CB 3.43Å; I131-R135 WeakPolarHBondContact O-CG 3.31Å; I131-R135 PolarHBondContact O-N 3.15Å |
| 132 | C | 80.9 | Confident | 80.8 | Confident | 59 Ų | 59 | 97.8 Ų | 97.8 | 40% | 0.399 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 179.3 | -75.3 | 0 | 0 | 0 | 0 | 111.2 | S128 I129 R135 R136 | S128-C132 WeakPolarHBondContact O-CB 3.28Å; S128-C132 PolarHBondContact O-N 2.9Å; S128-C132 PolarHBondContact O-SG 2.87Å; I129-C132 PolarHBondContact O-N 3.37Å; C132-R135 PolarHBondContact O-N 3.37Å; C132-R136 VanDerWaalsContact O-CB 3.27Å; C132-R136 WeakPolarHBondContact O-CB 3.15Å; C132-R136 WeakPolarHBondContact O-CG 3.42Å; C132-R136 PolarHBondContact O-N 3.4Å |
| 133 | S | 81.3 | Confident | 80 | Confident | 56 Ų | 56 | 101.9 Ų | 101.9 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 175.5 | 57.5 | 0 | 0 | 0 | 0 | 110.8 | I129 C130 R135 R136 C137 | I129-S133 WeakPolarHBondContact O-CB 3.39Å; I129-S133 PolarHBondContact O-N 2.85Å; I129-S133 PolarHBondContact O-OG 2.83Å; C130-S133 WeakPolarHBondContact CA-OG 3.27Å; C130-S133 PolarHBondContact O-OG 2.98Å; S133-R135 PolarHBondContact O-N 3.5Å; S133-R136 PolarHBondContact O-N 2.92Å; S133-C137 VanDerWaalsContact O-CB 3.29Å; S133-C137 WeakPolarHBondContact O-CB 3.33Å; S133-C137 PolarHBondContact O-N 2.72Å; S133-C137 PolarHBondContact O-SG 3.34Å |
| 134 | H | 81 | Confident | 79.1 | Confident | 93 Ų | 93 | 105.2 Ų | 105.2 | 43% | 0.431 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 178.5 | -177.7 | -123 | 0 | 0 | 0 | 112.6 | C130 I131 C137 R138 | C130-H134 WeakPolarHBondContact O-CB 3.49Å; C130-H134 PolarHBondContact O-N 3.47Å; I131-H134 PolarHBondContact O-N 3.49Å; H134-C137 PolarHBondContact O-N 3.14Å; H134-R138 PolarHBondContact CE1-NE 2.99Å; H134-R138 PolarHBondContact CE1-NH2 3.25Å; H134-R138 VanDerWaalsContact NE2-CZ 3.25Å; H134-R138 PolarHBondContact NE2-NH1 3.08Å; H134-R138 WeakPolarHBondContact O-CG 3.28Å; H134-R138 PolarHBondContact O-N 3.1Å |
| 135 | R | 81.1 | Confident | 78.5 | Confident | 141 Ų | 141 | 111 Ų | 111 | 53% | 0.532 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 174.3 | -76.1 | -172.7 | 178.7 | -152.4 | 1.1 | 112.1 | I2 I131 C132 S133 R138 L139 | I2-R135 VanDerWaalsContact CD1-NH2 3.33Å; I131-R135 HydrophobicContact CG2-CG 4.43Å; I131-R135 WeakPolarHBondContact O-CB 3.43Å; I131-R135 WeakPolarHBondContact O-CG 3.31Å; I131-R135 PolarHBondContact O-N 3.15Å; C132-R135 PolarHBondContact O-N 3.37Å; S133-R135 PolarHBondContact O-N 3.5Å; R135-R138 PolarHBondContact O-N 3.36Å; R135-L139 WeakPolarHBondContact O-CB 3.45Å; R135-L139 WeakPolarHBondContact O-CD1 3.33Å; R135-L139 VanDerWaalsContact O-CG 3.27Å; R135-L139 WeakPolarHBondContact O-CG 3.5Å; R135-L139 PolarHBondContact O-N 3.41Å |
| 136 | R | 78.5 | Confident | 77.8 | Confident | 161 Ų | 161 | 114.6 Ų | 114.6 | 61% | 0.608 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.3 | -45.3 | 176.2 | -74.4 | -86 | -163.4 | 170.2 | 4.5 | 110.9 | C132 S133 L139 W140 | C132-R136 VanDerWaalsContact O-CB 3.27Å; C132-R136 WeakPolarHBondContact O-CB 3.15Å; C132-R136 WeakPolarHBondContact O-CG 3.42Å; C132-R136 PolarHBondContact O-N 3.4Å; S133-R136 PolarHBondContact O-N 2.92Å; R136-L139 PolarHBondContact O-N 3.33Å; R136-W140 WeakPolarHBondContact O-CB 3.45Å; R136-W140 PolarHBondContact O-N 3.26Å |
| 137 | C | 78.4 | Confident | 76.9 | Confident | 80 Ų | 80 | 115 Ų | 115 | 54% | 0.541 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 176.6 | -70.5 | 0 | 0 | 0 | 0 | 112 | S133 H134 G141 | S133-C137 VanDerWaalsContact O-CB 3.29Å; S133-C137 WeakPolarHBondContact O-CB 3.33Å; S133-C137 PolarHBondContact O-N 2.72Å; S133-C137 PolarHBondContact O-SG 3.34Å; H134-C137 PolarHBondContact O-N 3.14Å; C137-G141 PolarHBondContact O-N 2.95Å |
| 138 | R | 78.8 | Confident | 76.3 | Confident | 168 Ų | 168 | 115.1 Ų | 115.1 | 63% | 0.634 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.5 | -42.9 | 173.4 | -70.2 | -142.7 | -142.5 | -96.5 | 19.4 | 112.2 | H134 R135 R142 | H134-R138 PolarHBondContact CE1-NE 2.99Å; H134-R138 PolarHBondContact CE1-NH2 3.25Å; H134-R138 VanDerWaalsContact NE2-CZ 3.25Å; H134-R138 PolarHBondContact NE2-NH1 3.08Å; H134-R138 WeakPolarHBondContact O-CG 3.28Å; H134-R138 PolarHBondContact O-N 3.1Å; R135-R138 PolarHBondContact O-N 3.36Å; R138-R142 PolarHBondContact O-N 2.88Å |
| 139 | L | 74.9 | Confident | 75.8 | Confident | 116 Ų | 116 | 121.1 Ų | 121.1 | 61% | 0.607 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.2 | -43 | 179.3 | -72.7 | 164.3 | 0 | 0 | 0 | 111.8 | R135 R136 R142 R143 | R135-L139 WeakPolarHBondContact O-CB 3.45Å; R135-L139 WeakPolarHBondContact O-CD1 3.33Å; R135-L139 VanDerWaalsContact O-CG 3.27Å; R135-L139 WeakPolarHBondContact O-CG 3.5Å; R135-L139 PolarHBondContact O-N 3.41Å; R136-L139 PolarHBondContact O-N 3.33Å; L139-R142 PolarHBondContact O-N 3.06Å; L139-R143 PolarHBondContact O-N 3.05Å |
| 140 | W | 69.6 | Low | 75.3 | Confident | 162 Ų | 162 | 122 Ų | 122 | 61% | 0.614 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.5 | -38.8 | 174.9 | -81.4 | -21.4 | 0 | 0 | 0 | 112.6 | R136 R142 R143 R144 | R136-W140 WeakPolarHBondContact O-CB 3.45Å; R136-W140 PolarHBondContact O-N 3.26Å; W140-R142 VanDerWaalsContact C-N 3.33Å; W140-R142 PolarHBondContact O-N 3.05Å; W140-R143 PolarHBondContact O-N 3.45Å; W140-R144 WeakPolarHBondContact O-CB 3.15Å; W140-R144 PolarHBondContact O-N 3.4Å |
| 141 | G | 74.4 | Confident | 74.5 | Confident | 32 Ų | 32 | 128 Ų | 128 | 33% | 0.33 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -59.9 | -42.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C137 R145 | C137-G141 PolarHBondContact O-N 2.95Å; G141-R145 WeakPolarHBondContact O-CG 3.46Å; G141-R145 PolarHBondContact O-N 3.48Å; G141-R145 VanDerWaalsContact O-N 3.11Å |
| 142 | R | 69.7 | Low | 73.9 | Confident | 199 Ų | 199 | 129.2 Ų | 129.2 | 75% | 0.751 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.7 | -45.6 | 173 | -82.1 | -166.4 | -175.5 | -163.3 | 2.2 | 112.7 | R138 L139 W140 R145 Q146 | R138-R142 PolarHBondContact O-N 2.88Å; L139-R142 PolarHBondContact O-N 3.06Å; W140-R142 VanDerWaalsContact C-N 3.33Å; W140-R142 PolarHBondContact O-N 3.05Å; R142-R145 PolarHBondContact O-N 3.21Å; R142-Q146 PolarHBondContact O-N 2.12Å; R142-Q146 VanDerWaalsContact O-N 3.13Å |
| 143 | R | 69.6 | Low | 73.2 | Confident | 181 Ų | 181 | 128 Ų | 128 | 68% | 0.683 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.3 | -44.9 | 177.3 | -86.8 | -172.2 | -174.9 | -173.8 | 1.1 | 112 | L139 W140 R145 Q146 T147 | L139-R143 PolarHBondContact O-N 3.05Å; W140-R143 PolarHBondContact O-N 3.45Å; R143-R145 VanDerWaalsContact C-N 3.35Å; R143-R145 PolarHBondContact O-N 2.94Å; R143-Q146 PolarHBondContact O-N 2.05Å; R143-Q146 VanDerWaalsContact O-N 3.13Å; R143-T147 PolarHBondContact O-N 3.07Å; R143-T147 PolarHBondContact O-OG1 3.37Å; R143-T147 VanDerWaalsContact O-OG1 3.12Å |
| 144 | R | 70.6 | Confident | 72.2 | Confident | 179 Ų | 179 | 129.3 Ų | 129.3 | 68% | 0.675 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.7 | -42.1 | -179.2 | -161.7 | 179.1 | -176.1 | 173.7 | 8 | 111.4 | W140 Q146 T147 E148 | W140-R144 WeakPolarHBondContact O-CB 3.15Å; W140-R144 PolarHBondContact O-N 3.4Å; R144-Q146 VanDerWaalsContact C-N 3.35Å; R144-Q146 PolarHBondContact O-N 3.49Å; R144-T147 PolarHBondContact O-N 3.34Å; R144-E148 IonicContact NE-OE1 3.45Å; R144-E148 PolarHBondContact NE-OE1 2.06Å; R144-E148 WeakPolarHBondContact O-CB 3.35Å; R144-E148 WeakPolarHBondContact O-CG 3.33Å; R144-E148 PolarHBondContact O-N 3.22Å |
| 145 | R | 70.3 | Confident | 71.1 | Confident | 183 Ų | 183 | 127.9 Ų | 127.9 | 69% | 0.691 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -58.4 | -44.3 | 172.2 | -72.2 | 177.5 | -171 | -167.5 | 1.1 | 111.8 | G141 R142 R143 T147 E148 E149 | G141-R145 WeakPolarHBondContact O-CG 3.46Å; G141-R145 PolarHBondContact O-N 3.48Å; G141-R145 VanDerWaalsContact O-N 3.11Å; R142-R145 PolarHBondContact O-N 3.21Å; R143-R145 VanDerWaalsContact C-N 3.35Å; R143-R145 PolarHBondContact O-N 2.94Å; R145-T147 PolarHBondContact O-N 3.37Å; R145-E148 PolarHBondContact O-N 3.49Å; R145-E149 WeakPolarHBondContact O-CB 3.15Å; R145-E149 VanDerWaalsContact O-CG 3.25Å; R145-E149 WeakPolarHBondContact O-CG 3.07Å; R145-E149 PolarHBondContact O-N 2.83Å |
| 146 | Q | 68.6 | Low | 70 | Confident | 150 Ų | 150 | 130.3 Ų | 130.3 | 70% | 0.701 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.6 | -37.8 | 177 | -73.4 | -164.1 | -21.6 | 0 | 0 | 113.5 | R142 R143 R144 L150 | R142-Q146 PolarHBondContact O-N 2.12Å; R142-Q146 VanDerWaalsContact O-N 3.13Å; R143-Q146 PolarHBondContact O-N 2.05Å; R143-Q146 VanDerWaalsContact O-N 3.13Å; R144-Q146 VanDerWaalsContact C-N 3.35Å; R144-Q146 PolarHBondContact O-N 3.49Å; Q146-L150 WeakPolarHBondContact O-CB 2.87Å; Q146-L150 PolarHBondContact O-N 3.45Å |
| 147 | T | 68.2 | Low | 68.9 | Low | 93 Ų | 93 | 133.3 Ų | 133.3 | 57% | 0.571 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.9 | -37.1 | 175.2 | -52 | 0 | 0 | 0 | 0 | 111.8 | R143 R144 R145 R151 | R143-T147 PolarHBondContact O-N 3.07Å; R143-T147 PolarHBondContact O-OG1 3.37Å; R143-T147 VanDerWaalsContact O-OG1 3.12Å; R144-T147 PolarHBondContact O-N 3.34Å; R145-T147 PolarHBondContact O-N 3.37Å; T147-R151 WeakPolarHBondContact O-CB 2.88Å; T147-R151 PolarHBondContact O-N 3.15Å |
| 148 | E | 73.8 | Confident | 67.6 | Low | 91 Ų | 91 | 134.3 Ų | 134.3 | 43% | 0.425 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -70.3 | -40.7 | 176 | -74.1 | 177.3 | -177.6 | 0 | 0 | 112.2 | R144 R145 R151 N152 | R144-E148 IonicContact NE-OE1 3.45Å; R144-E148 PolarHBondContact NE-OE1 2.06Å; R144-E148 WeakPolarHBondContact O-CB 3.35Å; R144-E148 WeakPolarHBondContact O-CG 3.33Å; R144-E148 PolarHBondContact O-N 3.22Å; R145-E148 PolarHBondContact O-N 3.49Å; E148-R151 PolarHBondContact O-N 3.33Å; E148-N152 WeakPolarHBondContact O-CB 3.17Å; E148-N152 PolarHBondContact O-N 3.16Å |
| 149 | E | 70.6 | Confident | 66.5 | Low | 137 Ų | 137 | 134.7 Ų | 134.7 | 64% | 0.64 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.7 | -41.4 | 173.6 | -71.3 | -63.4 | 139.4 | 0 | 0 | 112.1 | R145 G153 | R145-E149 WeakPolarHBondContact O-CB 3.15Å; R145-E149 VanDerWaalsContact O-CG 3.25Å; R145-E149 WeakPolarHBondContact O-CG 3.07Å; R145-E149 PolarHBondContact O-N 2.83Å; E149-G153 PolarHBondContact O-N 2.83Å |
| 150 | L | 73.4 | Confident | 65.5 | Low | 127 Ų | 127 | 134.3 Ų | 134.3 | 67% | 0.665 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.5 | -42.5 | 174.9 | -172.6 | 69 | 0 | 0 | 0 | 111.2 | Q146 G153 T154 | Q146-L150 WeakPolarHBondContact O-CB 2.87Å; Q146-L150 PolarHBondContact O-N 3.45Å; L150-G153 PolarHBondContact O-N 2.7Å; L150-T154 PolarHBondContact O-N 3.17Å; L150-T154 PolarHBondContact O-OG1 2.7Å; L150-T154 VanDerWaalsContact O-OG1 3.07Å |
| 151 | R | 68.1 | Low | 64.4 | Low | 196 Ų | 196 | 134.5 Ų | 134.5 | 74% | 0.74 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -70.3 | -38.9 | 179.7 | -164.8 | 162.4 | 82.8 | 136.5 | 2 | 112.7 | T147 E148 G155 | T147-R151 WeakPolarHBondContact O-CB 2.88Å; T147-R151 PolarHBondContact O-N 3.15Å; E148-R151 PolarHBondContact O-N 3.33Å; R151-G155 PolarHBondContact O-N 3.31Å |
| 152 | N | 71.1 | Confident | 63.2 | Low | 109 Ų | 109 | 138.1 Ų | 138.1 | 58% | 0.583 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -68.7 | -34.2 | 173.3 | -84.3 | 5.7 | 0 | 0 | 0 | 112.1 | E148 K156 | E148-N152 WeakPolarHBondContact O-CB 3.17Å; E148-N152 PolarHBondContact O-N 3.16Å; N152-K156 WeakPolarHBondContact O-CG 3.09Å; N152-K156 PolarHBondContact O-N 3.45Å |
| 153 | G | 65.8 | Low | 62.4 | Low | 35 Ų | 35 | 133.7 Ų | 133.7 | 36% | 0.361 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -69 | -41.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E149 L150 K156 | E149-G153 PolarHBondContact O-N 2.83Å; L150-G153 PolarHBondContact O-N 2.7Å; G153-K156 PolarHBondContact O-N 3.29Å |
| 154 | T | 59.2 | Low | 61.2 | Low | 83 Ų | 83 | 131.3 Ų | 131.3 | 51% | 0.509 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -67.5 | -38.7 | 176.5 | -57.3 | 0 | 0 | 0 | 0 | 112 | L150 K156 R157 V158 | L150-T154 PolarHBondContact O-N 3.17Å; L150-T154 PolarHBondContact O-OG1 2.7Å; L150-T154 VanDerWaalsContact O-OG1 3.07Å; T154-K156 PolarHBondContact O-N 2.91Å; T154-R157 PolarHBondContact O-N 2.86Å; T154-V158 HydrophobicContact CG2-CG2 4.48Å |
| 155 | G | 58.8 | Low | 59.5 | Low | 63 Ų | 63 | 128.6 Ų | 128.6 | 65% | 0.649 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -64.2 | -21.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R151 | R151-G155 PolarHBondContact O-N 3.31Å |
| 156 | K | 57.3 | Low | 58.4 | Low | 191 Ų | 191 | 128 Ų | 128 | 83% | 0.83 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -10.9 | 177.2 | -70.5 | -162.3 | -179.8 | -165.8 | 0 | 114.8 | N152 G153 T154 | N152-K156 WeakPolarHBondContact O-CG 3.09Å; N152-K156 PolarHBondContact O-N 3.45Å; G153-K156 PolarHBondContact O-N 3.29Å; T154-K156 PolarHBondContact O-N 2.91Å |
| 157 | R | 55.5 | Low | 56.9 | Low | 225 Ų | 225 | 126.1 Ų | 126.1 | 85% | 0.849 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | -5.3 | -177.2 | -64.4 | -152.3 | -158.7 | -144.8 | 8.5 | 115.3 | T154 M159 | T154-R157 PolarHBondContact O-N 2.86Å; R157-M159 PolarHBondContact O-N 2.99Å |
| 158 | V | 51.8 | Low | 55.5 | Low | 101 Ų | 101 | 126.8 Ų | 126.8 | 61% | 0.612 | 70% | 0.702 | S | S | * | * | trans | -99.4 | 83.8 | 178.6 | -174.7 | 0 | 0 | 0 | 0 | 109.1 | T154 | T154-V158 HydrophobicContact CG2-CG2 4.48Š| ||
| 159 | M | 55.2 | Low | 54.1 | Low | 175 Ų | 175 | 130.8 Ų | 130.8 | 86% | 0.862 | 72% | 0.721 | S | S | * | * | trans | -124 | 107.5 | 152.9 | -138.4 | 66.3 | 141.5 | 0 | 0 | 105.3 | R157 D161 | R157-M159 PolarHBondContact O-N 2.99Å; M159-D161 PolarHBondContact O-N 3.07Å | ||
| 160 | P | 53.5 | Low | 52.7 | Low | 109 Ų | 109 | 132 Ų | 132 | 71% | 0.708 | 73% | 0.73 | S | S | * | * | trans | -72.2 | 116.3 | 170.2 | 8.5 | 4 | 0 | 0 | 0 | 107.5 | S162 | P160-S162 PolarHBondContact O-N 3.37Å; P160-S162 VanDerWaalsContact O-N 3.13Å | ||
| 161 | D | 48 | Very low | 51.3 | Low | 165 Ų | 165 | 131.5 Ų | 131.5 | 88% | 0.882 | 73% | 0.733 | S | S | * | * | trans | -67.5 | 105.8 | 167.7 | -132.2 | -13.2 | 0 | 0 | 0 | 107.5 | M159 S163 | M159-D161 PolarHBondContact O-N 3.07Å; D161-S163 PolarHBondContact O-N 3.35Å | ||
| 162 | S | 49.3 | Very low | 50.8 | Low | 108 Ų | 108 | 127.3 Ų | 127.3 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | trans | -87.8 | 90.3 | 171.7 | 59.9 | 0 | 0 | 0 | 0 | 108.9 | P160 | P160-S162 PolarHBondContact O-N 3.37Å; P160-S162 VanDerWaalsContact O-N 3.13Å | ||
| 163 | S | 50.9 | Low | 49.6 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | trans | -158.6 | 117.1 | 154.1 | -76.6 | 0 | 0 | 0 | 0 | 108.6 | D161 | D161-S163 PolarHBondContact O-N 3.35Š| ||
| 164 | P | 45.2 | Very low | 48.7 | Very low | 132 Ų | 132 | 135 Ų | 135 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | -145.9 | 124.1 | 112.7 | 33.5 | -16.4 | 0 | 0 | 0 | 112.2 | |||||
| 165 | S | 35.6 | Very low | 47.9 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -116.3 | 91.2 | 156.4 | 50.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 166 | H | 45.7 | Very low | 47.1 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | trans | -98.2 | 119.4 | 160.1 | -159.6 | -75.6 | 0 | 0 | 0 | 107.2 | ||||
| 167 | S | 37.3 | Very low | 46.6 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | trans | -149.7 | 87.5 | 164.7 | -40.5 | 0 | 0 | 0 | 0 | 105 | ||||
| 168 | T | 40.1 | Very low | 46.1 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 66% | 0.663 | 81% | 0.807 | S | S | * | * | 60.6 | 97.3 | 105.3 | -49.1 | 0 | 0 | 0 | 0 | 111.8 | L170 | T168-L170 HydrophobicContact CG2-CD1 4.36Š| |||
| 169 | E | 44.7 | Very low | 45.8 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -42.8 | 127.5 | 159 | -175.8 | -173.4 | 134.1 | 0 | 0 | 112.4 | ||||
| 170 | L | 40.8 | Very low | 45.2 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | -156.8 | 98.3 | 151.8 | -98.3 | 123.1 | 0 | 0 | 0 | 108.8 | T168 | T168-L170 HydrophobicContact CG2-CD1 4.36Š| ||
| 171 | T | 44.5 | Very low | 44.7 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 72% | 0.724 | 82% | 0.822 | S | S | * | * | trans | -74.8 | 154.2 | 145.8 | 44.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 172 | P | 57.1 | Low | 44.5 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 70% | 0.695 | 82% | 0.818 | S | S | * | * | cis | -140.5 | -178.3 | 37.6 | 32.1 | -8.5 | 0 | 0 | 0 | 114.3 | ||||
| 173 | I | 45 | Very low | 44.2 | Very low | 149 Ų | 149 | 139.6 Ų | 139.6 | 76% | 0.764 | 82% | 0.822 | S | S | * | * | trans | 153.2 | 111.9 | 134.7 | -67.4 | 149.5 | 0 | 0 | 0 | 110.1 | ||||
| 174 | N | 48 | Very low | 43.6 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | trans | 30.6 | 128.4 | 147.2 | -59.7 | -6.4 | 0 | 0 | 0 | 122.1 | ||||
| 175 | S | 41.5 | Very low | 43.5 | Very low | 118 Ų | 118 | 143 Ų | 143 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | trans | -141.7 | 129.5 | 146.5 | 60.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 176 | V | 41.9 | Very low | 44.2 | Very low | 220 Ų | 220 | 144.9 Ų | 144.9 | 100% | 1.333 | 82% | 0.824 | S | S | * | * | trans | -19.3 | 0 | 166.8 | -178.7 | 0 | 0 | 0 | 0 | 116.8 |
Retrieved 176 of 176 residues in 69.5 ms
(Link to these results)