| 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 | 48.5 | Very low | 57.1 | Low | 252 Ų | 252 | 108.3 Ų | 108.3 | 100% | 1.241 | 68% | 0.678 | S | S | * | * | 0 | 70.2 | 0 | -74.9 | 176 | 172.9 | 0 | 0 | 111 | |||||
| 2 | A | 53.2 | Low | 59 | Low | 106 Ų | 106 | 112.8 Ų | 112.8 | 88% | 0.876 | 67% | 0.673 | S | S | * | * | trans | -152.9 | 25.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 3 | M | 54.7 | Low | 61 | Low | 191 Ų | 191 | 118.4 Ų | 118.4 | 94% | 0.941 | 68% | 0.675 | S | S | * | * | trans | -114.6 | 13 | -172.7 | -87.1 | -85.1 | -172 | 0 | 0 | 115.3 | ||||
| 4 | A | 53.3 | Low | 62.4 | Low | 83 Ų | 83 | 120.3 Ų | 120.3 | 69% | 0.686 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -96.1 | -28.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A6 | A4-A6 PolarHBondContact O-N 3.22Š|
| 5 | A | 55.9 | Low | 64.2 | Low | 85 Ų | 85 | 116.4 Ų | 116.4 | 70% | 0.702 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -74.3 | -23.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A7 | A5-A7 PolarHBondContact O-N 3.49Å |
| 6 | A | 53.7 | Low | 65.9 | Low | 65 Ų | 65 | 117.1 Ų | 117.1 | 54% | 0.537 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -75.5 | -21.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A4 K10 | A4-A6 PolarHBondContact O-N 3.22Å; A6-K10 WeakPolarHBondContact O-CD 3.32Å; A6-K10 WeakPolarHBondContact O-CE 3.44Å; A6-K10 PolarHBondContact O-NZ 3.07Å |
| 7 | A | 54.1 | Low | 67.2 | Low | 71 Ų | 71 | 113.8 Ų | 113.8 | 59% | 0.587 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -76.7 | -31.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A5 G9 K10 S11 | A5-A7 PolarHBondContact O-N 3.49Å; A7-G9 VanDerWaalsContact C-N 3.34Å; A7-G9 PolarHBondContact O-N 3.22Å; A7-K10 PolarHBondContact O-N 3.35Å; A7-S11 PolarHBondContact O-N 3.23Å |
| 8 | E | 59.7 | Low | 68.3 | Low | 103 Ų | 103 | 110.7 Ų | 110.7 | 48% | 0.481 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -69.4 | -29.6 | -173.7 | -135.7 | 177.6 | 121.6 | 0 | 0 | 113.3 | K10 S11 R12 | E8-K10 VanDerWaalsContact C-N 3.32Å; E8-K10 PolarHBondContact O-N 2.93Å; E8-S11 PolarHBondContact O-OG 3.35Å; E8-S11 VanDerWaalsContact O-OG 3.11Å; E8-R12 WeakPolarHBondContact O-CB 3.47Å; E8-R12 VanDerWaalsContact O-CG 3.31Å; E8-R12 WeakPolarHBondContact O-CG 3.22Å; E8-R12 PolarHBondContact O-N 2.86Å; E8-R12 VanDerWaalsContact O-N 3.13Å; E8-R12 IonicContact OE1-CZ 2.72Å; E8-R12 IonicContact OE1-NE 3.58Å; E8-R12 IonicContact OE1-NH2 2.8Å; E8-R12 PolarHBondContact OE1-NH2 3.23Å |
| 9 | G | 61 | Low | 69.6 | Low | 35 Ų | 35 | 106.8 Ų | 106.8 | 36% | 0.361 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -70 | -24.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A7 R13 | A7-G9 VanDerWaalsContact C-N 3.34Å; A7-G9 PolarHBondContact O-N 3.22Å; G9-R13 WeakPolarHBondContact O-CG 3.3Å; G9-R13 PolarHBondContact O-NE 3.05Å |
| 10 | K | 64.5 | Low | 70.6 | Confident | 133 Ų | 133 | 105.6 Ų | 105.6 | 58% | 0.578 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -85.6 | -39 | 178.5 | -65.5 | 91.7 | 172.1 | -168 | 0 | 111.4 | A6 A7 E8 F14 | A6-K10 WeakPolarHBondContact O-CD 3.32Å; A6-K10 WeakPolarHBondContact O-CE 3.44Å; A6-K10 PolarHBondContact O-NZ 3.07Å; A7-K10 PolarHBondContact O-N 3.35Å; E8-K10 VanDerWaalsContact C-N 3.32Å; E8-K10 PolarHBondContact O-N 2.93Å; K10-F14 PolarHBondContact O-N 2.88Å |
| 11 | S | 69.5 | Low | 71.5 | Confident | 67 Ų | 67 | 105.8 Ų | 105.8 | 47% | 0.469 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68.6 | -37.5 | 176.9 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | A7 E8 R13 F14 A15 | A7-S11 PolarHBondContact O-N 3.23Å; E8-S11 PolarHBondContact O-OG 3.35Å; E8-S11 VanDerWaalsContact O-OG 3.11Å; S11-R13 PolarHBondContact O-N 2.79Å; S11-F14 PolarHBondContact O-N 3.07Å; S11-A15 PolarHBondContact O-N 3.39Å |
| 12 | R | 80.5 | Confident | 73.5 | Confident | 163 Ų | 163 | 97.4 Ų | 97.4 | 62% | 0.615 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.8 | -41.7 | 175.7 | -75.8 | -178.5 | -173.1 | -155.6 | 4.7 | 112.9 | E8 A15 L16 | E8-R12 WeakPolarHBondContact O-CB 3.47Å; E8-R12 VanDerWaalsContact O-CG 3.31Å; E8-R12 WeakPolarHBondContact O-CG 3.22Å; E8-R12 PolarHBondContact O-N 2.86Å; E8-R12 VanDerWaalsContact O-N 3.13Å; E8-R12 IonicContact OE1-CZ 2.72Å; E8-R12 IonicContact OE1-NE 3.58Å; E8-R12 IonicContact OE1-NH2 2.8Å; E8-R12 PolarHBondContact OE1-NH2 3.23Å; R12-A15 PolarHBondContact O-N 3.28Å; R12-L16 WeakPolarHBondContact O-CG 3.29Å; R12-L16 PolarHBondContact O-N 3.4Å; R12-L16 VanDerWaalsContact O-N 3.12Å |
| 13 | R | 84.4 | Confident | 75.2 | Confident | 185 Ų | 185 | 98.7 Ų | 98.7 | 70% | 0.698 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.1 | -40.7 | 177.6 | -66.2 | -178.5 | -141.9 | 176.4 | -0.6 | 112.1 | G9 S11 L16 A17 | G9-R13 WeakPolarHBondContact O-CG 3.3Å; G9-R13 PolarHBondContact O-NE 3.05Å; S11-R13 PolarHBondContact O-N 2.79Å; R13-L16 PolarHBondContact O-N 3.19Å; R13-A17 PolarHBondContact O-N 2.89Å |
| 14 | F | 81.2 | Confident | 76.7 | Confident | 145 Ų | 145 | 96.1 Ų | 96.1 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.6 | -45 | 176.1 | 179.7 | -97 | 0 | 0 | 0 | 111.8 | K10 S11 L16 A17 C18 | K10-F14 PolarHBondContact O-N 2.88Å; S11-F14 PolarHBondContact O-N 3.07Å; F14-L16 VanDerWaalsContact C-N 3.33Å; F14-L16 PolarHBondContact O-N 3.36Å; F14-A17 PolarHBondContact O-N 2.8Å; F14-C18 PolarHBondContact O-N 3.05Å |
| 15 | A | 89.5 | Confident | 78.4 | Confident | 62 Ų | 62 | 95.6 Ų | 95.6 | 51% | 0.512 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S11 R12 C18 G19 | S11-A15 PolarHBondContact O-N 3.39Å; R12-A15 PolarHBondContact O-N 3.28Å; A15-C18 PolarHBondContact O-N 3.22Å; A15-G19 PolarHBondContact O-N 3.39Å |
| 16 | L | 90.8 | Very high | 79.7 | Confident | 128 Ų | 128 | 98 Ų | 98 | 67% | 0.67 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.3 | -44.9 | 174.6 | -70.3 | 171.6 | 0 | 0 | 0 | 111.9 | R12 R13 F14 G19 V20 | R12-L16 WeakPolarHBondContact O-CG 3.29Å; R12-L16 PolarHBondContact O-N 3.4Å; R12-L16 VanDerWaalsContact O-N 3.12Å; R13-L16 PolarHBondContact O-N 3.19Å; F14-L16 VanDerWaalsContact C-N 3.33Å; F14-L16 PolarHBondContact O-N 3.36Å; L16-G19 PolarHBondContact O-N 3.03Å; L16-V20 WeakPolarHBondContact O-CG2 3.39Å; L16-V20 PolarHBondContact O-N 3.25Å; L16-V20 VanDerWaalsContact O-N 3.12Å |
| 17 | A | 87.8 | Confident | 80.9 | Confident | 60 Ų | 60 | 97.3 Ų | 97.3 | 50% | 0.496 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R13 F14 V20 L21 | R13-A17 PolarHBondContact O-N 2.89Å; F14-A17 PolarHBondContact O-N 2.8Å; A17-V20 PolarHBondContact O-N 2.84Å; A17-L21 WeakPolarHBondContact O-CB 3.47Å; A17-L21 PolarHBondContact O-N 2.79Å |
| 18 | C | 87.3 | Confident | 81.9 | Confident | 58 Ų | 58 | 100.7 Ų | 100.7 | 39% | 0.392 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 177 | -114.9 | 0 | 0 | 0 | 0 | 112.6 | F14 A15 S22 | F14-C18 PolarHBondContact O-N 3.05Å; A15-C18 PolarHBondContact O-N 3.22Å; C18-S22 WeakPolarHBondContact O-CB 3.44Å; C18-S22 PolarHBondContact O-N 2.79Å; C18-S22 PolarHBondContact O-OG 3.13Å |
| 19 | G | 93 | Very high | 82.6 | Confident | 38 Ų | 38 | 102.3 Ų | 102.3 | 39% | 0.392 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | A15 L16 S22 Q23 | A15-G19 PolarHBondContact O-N 3.39Å; L16-G19 PolarHBondContact O-N 3.03Å; G19-S22 PolarHBondContact O-N 3.21Å; G19-Q23 WeakPolarHBondContact O-CG 3.38Å; G19-Q23 PolarHBondContact O-N 3.05Å |
| 20 | V | 90.4 | Very high | 82.8 | Confident | 82 Ų | 82 | 107.7 Ų | 107.7 | 50% | 0.497 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.4 | -43.9 | 177.7 | 174 | 0 | 0 | 0 | 0 | 111.5 | L16 A17 S22 Q23 Y24 | L16-V20 WeakPolarHBondContact O-CG2 3.39Å; L16-V20 PolarHBondContact O-N 3.25Å; L16-V20 VanDerWaalsContact O-N 3.12Å; A17-V20 PolarHBondContact O-N 2.84Å; V20-S22 VanDerWaalsContact C-N 3.31Å; V20-S22 PolarHBondContact O-N 3.36Å; V20-Q23 WeakPolarHBondContact O-CB 3.44Å; V20-Q23 PolarHBondContact O-N 3.47Å; V20-Y24 HydrophobicContact CG1-CD2 3.95Å; V20-Y24 HydrophobicContact CG1-CE2 3.53Å; V20-Y24 VanDerWaalsContact O-CD2 3.25Å; V20-Y24 WeakPolarHBondContact O-CD2 3.49Å; V20-Y24 PolarHBondContact O-N 2.88Å |
| 21 | L | 89.6 | Confident | 82.6 | Confident | 110 Ų | 110 | 108.7 Ų | 108.7 | 58% | 0.576 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.4 | -39.4 | 177.1 | -177 | 62.5 | 0 | 0 | 0 | 112.2 | A17 Q23 Y24 V25 | A17-L21 WeakPolarHBondContact O-CB 3.47Å; A17-L21 PolarHBondContact O-N 2.79Å; L21-Q23 VanDerWaalsContact C-N 3.29Å; L21-Q23 PolarHBondContact O-N 2.83Å; L21-Y24 PolarHBondContact O-N 2.87Å; L21-V25 PolarHBondContact O-N 3.38Å |
| 22 | S | 89.1 | Confident | 82 | Confident | 75 Ų | 75 | 109 Ų | 109 | 52% | 0.524 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.8 | -34.9 | 177.7 | -58.1 | 0 | 0 | 0 | 0 | 112.3 | C18 G19 V20 K26 | C18-S22 WeakPolarHBondContact O-CB 3.44Å; C18-S22 PolarHBondContact O-N 2.79Å; C18-S22 PolarHBondContact O-OG 3.13Å; G19-S22 PolarHBondContact O-N 3.21Å; V20-S22 VanDerWaalsContact C-N 3.31Å; V20-S22 PolarHBondContact O-N 3.36Å; S22-K26 VanDerWaalsContact O-CB 3.3Å; S22-K26 WeakPolarHBondContact O-CB 3.39Å; S22-K26 PolarHBondContact O-N 3.22Å |
| 23 | Q | 88.4 | Confident | 80.9 | Confident | 134 Ų | 134 | 105.5 Ų | 105.5 | 63% | 0.626 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.1 | -42.2 | 174.7 | -66.5 | -77 | 28.8 | 0 | 0 | 111.5 | G19 V20 L21 K26 A27 | G19-Q23 WeakPolarHBondContact O-CG 3.38Å; G19-Q23 PolarHBondContact O-N 3.05Å; V20-Q23 WeakPolarHBondContact O-CB 3.44Å; V20-Q23 PolarHBondContact O-N 3.47Å; L21-Q23 VanDerWaalsContact C-N 3.29Å; L21-Q23 PolarHBondContact O-N 2.83Å; Q23-K26 PolarHBondContact O-N 2.99Å; Q23-A27 WeakPolarHBondContact O-CB 3.21Å; Q23-A27 PolarHBondContact O-N 3.44Å |
| 24 | Y | 87.3 | Confident | 79.6 | Confident | 137 Ų | 137 | 101 Ų | 101 | 54% | 0.537 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.5 | -45.4 | 178.5 | -75.9 | -66.7 | 0 | 0 | 0 | 112.6 | V20 L21 K26 A27 E28 | V20-Y24 HydrophobicContact CG1-CD2 3.95Å; V20-Y24 HydrophobicContact CG1-CE2 3.53Å; V20-Y24 VanDerWaalsContact O-CD2 3.25Å; V20-Y24 WeakPolarHBondContact O-CD2 3.49Å; V20-Y24 PolarHBondContact O-N 2.88Å; L21-Y24 PolarHBondContact O-N 2.87Å; Y24-K26 VanDerWaalsContact C-N 3.25Å; Y24-K26 PolarHBondContact O-N 3.38Å; Y24-A27 PolarHBondContact O-N 3.12Å; Y24-E28 WeakPolarHBondContact O-CB 3.25Å; Y24-E28 WeakPolarHBondContact O-CG 3.49Å; Y24-E28 PolarHBondContact O-N 3.43Å |
| 25 | V | 88.3 | Confident | 77.7 | Confident | 72 Ų | 72 | 97.2 Ų | 97.2 | 44% | 0.436 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.3 | -38.5 | 176.7 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | L21 Q29 | L21-V25 PolarHBondContact O-N 3.38Å; V25-Q29 WeakPolarHBondContact O-CB 3.35Å; V25-Q29 WeakPolarHBondContact O-CG 3.4Å; V25-Q29 PolarHBondContact O-N 2.91Å |
| 26 | K | 83.6 | Confident | 76 | Confident | 136 Ų | 136 | 99.1 Ų | 99.1 | 59% | 0.591 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.7 | -37.5 | 177.8 | -169.5 | 162.8 | -175.9 | 160.5 | 0 | 112.5 | S22 Q23 Y24 Q30 | S22-K26 VanDerWaalsContact O-CB 3.3Å; S22-K26 WeakPolarHBondContact O-CB 3.39Å; S22-K26 PolarHBondContact O-N 3.22Å; Q23-K26 PolarHBondContact O-N 2.99Å; Y24-K26 VanDerWaalsContact C-N 3.25Å; Y24-K26 PolarHBondContact O-N 3.38Å; K26-Q30 WeakPolarHBondContact O-CB 3.45Å; K26-Q30 PolarHBondContact O-N 2.98Å |
| 27 | A | 79 | Confident | 74 | Confident | 50 Ų | 50 | 99.2 Ų | 99.2 | 41% | 0.413 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.2 | -43.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q23 Y24 Q30 M31 | Q23-A27 WeakPolarHBondContact O-CB 3.21Å; Q23-A27 PolarHBondContact O-N 3.44Å; Y24-A27 PolarHBondContact O-N 3.12Å; A27-Q30 PolarHBondContact O-N 3.21Å; A27-M31 VanDerWaalsContact O-CG 3.29Å; A27-M31 WeakPolarHBondContact O-CG 3.38Å; A27-M31 PolarHBondContact O-N 3.22Å |
| 28 | E | 76 | Confident | 72.5 | Confident | 141 Ų | 141 | 100.9 Ų | 100.9 | 66% | 0.659 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -60.5 | -45.9 | 173.8 | -83.6 | -80.5 | 147.5 | 0 | 0 | 111.7 | Y24 Q30 M31 A32 | Y24-E28 WeakPolarHBondContact O-CB 3.25Å; Y24-E28 WeakPolarHBondContact O-CG 3.49Å; Y24-E28 PolarHBondContact O-N 3.43Å; E28-Q30 VanDerWaalsContact C-N 3.27Å; E28-Q30 PolarHBondContact O-N 3.46Å; E28-M31 PolarHBondContact O-N 2.95Å; E28-A32 VanDerWaalsContact O-CB 3.22Å; E28-A32 WeakPolarHBondContact O-CB 3.42Å; E28-A32 PolarHBondContact O-N 3.26Å |
| 29 | Q | 73.1 | Confident | 70.7 | Confident | 138 Ų | 138 | 104 Ų | 104 | 65% | 0.645 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -63.7 | -32.8 | 175.8 | -76.3 | 179.6 | 2.7 | 0 | 0 | 112.8 | V25 | V25-Q29 WeakPolarHBondContact O-CB 3.35Å; V25-Q29 WeakPolarHBondContact O-CG 3.4Å; V25-Q29 PolarHBondContact O-N 2.91Å |
| 30 | Q | 66.7 | Low | 68.1 | Low | 148 Ų | 148 | 114.2 Ų | 114.2 | 69% | 0.692 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -74.3 | -35.2 | 175.9 | -131.1 | 177.4 | 50 | 0 | 0 | 112.2 | K26 A27 E28 | K26-Q30 WeakPolarHBondContact O-CB 3.45Å; K26-Q30 PolarHBondContact O-N 2.98Å; A27-Q30 PolarHBondContact O-N 3.21Å; E28-Q30 VanDerWaalsContact C-N 3.27Å; E28-Q30 PolarHBondContact O-N 3.46Å |
| 31 | M | 58.7 | Low | 66.3 | Low | 153 Ų | 153 | 114.1 Ų | 114.1 | 75% | 0.754 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -76.4 | -33.8 | 176.1 | -66.9 | -129.4 | 154.4 | 0 | 0 | 112.4 | A27 E28 A33 A34 | A27-M31 VanDerWaalsContact O-CG 3.29Å; A27-M31 WeakPolarHBondContact O-CG 3.38Å; A27-M31 PolarHBondContact O-N 3.22Å; E28-M31 PolarHBondContact O-N 2.95Å; M31-A33 PolarHBondContact O-N 3.18Å; M31-A34 PolarHBondContact O-N 3.06Å; M31-A34 VanDerWaalsContact O-N 3.07Å |
| 32 | A | 57.9 | Low | 64.4 | Low | 74 Ų | 74 | 114.8 Ų | 114.8 | 61% | 0.612 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -18.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E28 A34 | E28-A32 VanDerWaalsContact O-CB 3.22Å; E28-A32 WeakPolarHBondContact O-CB 3.42Å; E28-A32 PolarHBondContact O-N 3.26Å; A32-A34 VanDerWaalsContact C-N 3.28Å; A32-A34 PolarHBondContact O-N 3.09Å |
| 33 | A | 57.3 | Low | 62.4 | Low | 89 Ų | 89 | 115 Ų | 115 | 74% | 0.736 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | M31 | M31-A33 PolarHBondContact O-N 3.18Š|
| 34 | A | 55.7 | Low | 60.8 | Low | 91 Ų | 91 | 114.4 Ų | 114.4 | 75% | 0.752 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -118.5 | 4.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | M31 A32 | M31-A34 PolarHBondContact O-N 3.06Å; M31-A34 VanDerWaalsContact O-N 3.07Å; A32-A34 VanDerWaalsContact C-N 3.28Å; A32-A34 PolarHBondContact O-N 3.09Å |
| 35 | G | 42.8 | Very low | 59.4 | Low | 65 Ų | 65 | 113.4 Ų | 113.4 | 67% | 0.67 | 70% | 0.704 | S | S | * | * | trans | -170.9 | 127.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 36 | A | 52.3 | Low | 58.1 | Low | 103 Ų | 103 | 116.3 Ų | 116.3 | 85% | 0.851 | 72% | 0.716 | S | S | * | * | trans | -91.8 | 165.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 37 | P | 49.7 | Very low | 56.9 | Low | 130 Ų | 130 | 114.8 Ų | 114.8 | 84% | 0.844 | 72% | 0.722 | S | S | * | * | trans | -108.5 | 161.4 | -141 | 40.4 | -35.8 | 0 | 0 | 0 | 116.4 | ||||
| 38 | A | 57.1 | Low | 55.9 | Low | 95 Ų | 95 | 119.7 Ų | 119.7 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | -164.7 | 163.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 39 | P | 48.5 | Very low | 55 | Low | 123 Ų | 123 | 120.1 Ų | 120.1 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | -120.3 | 152.3 | -106.8 | 34.6 | -17.4 | 0 | 0 | 0 | 118.2 | |||||
| 40 | R | 38.6 | Very low | 54 | Low | 252 Ų | 252 | 119.8 Ų | 119.8 | 95% | 0.951 | 75% | 0.754 | S | S | * | * | trans | 21 | 125.1 | 147.4 | -74.7 | 177.6 | 163.2 | 175.9 | -5.2 | 121.5 | ||||
| 41 | A | 52.6 | Low | 53.5 | Low | 80 Ų | 80 | 116.4 Ų | 116.4 | 66% | 0.661 | 76% | 0.76 | S | S | * | * | trans | -136.4 | 157.9 | 158 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 42 | P | 50.6 | Low | 53.1 | Low | 125 Ų | 125 | 112.8 Ų | 112.8 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | trans | -78.4 | 142.8 | -154.3 | 31.5 | -34.2 | 0 | 0 | 0 | 114.3 | T44 | P42-T44 PolarHBondContact O-N 2.98Š| ||
| 43 | A | 45.7 | Very low | 52.3 | Low | 79 Ų | 79 | 116.8 Ų | 116.8 | 65% | 0.653 | 77% | 0.765 | S | S | * | * | trans | -63 | 119.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | T45 | A43-T45 PolarHBondContact O-N 3.29Š| ||
| 44 | T | 55.8 | Low | 52.4 | Low | 121 Ų | 121 | 118.8 Ų | 118.8 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | -75.1 | 98.7 | 163.5 | 24.3 | 0 | 0 | 0 | 0 | 109.1 | P42 L46 | P42-T44 PolarHBondContact O-N 2.98Å; T44-L46 PolarHBondContact O-N 3.24Å | ||
| 45 | T | 57 | Low | 51.9 | Low | 117 Ų | 117 | 117.7 Ų | 117.7 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | trans | -59.3 | 116.7 | 167.7 | -98.2 | 0 | 0 | 0 | 0 | 109.2 | A43 | A43-T45 PolarHBondContact O-N 3.29Š| ||
| 46 | L | 62.4 | Low | 51.7 | Low | 132 Ų | 132 | 119 Ų | 119 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | trans | -111.9 | 96.1 | 164.8 | -70.2 | 179.3 | 0 | 0 | 0 | 108.5 | T44 L48 | T44-L46 PolarHBondContact O-N 3.24Å; L46-L48 PolarHBondContact O-N 3.31Å; L46-L48 VanDerWaalsContact O-N 3.13Å | ||
| 47 | S | 58 | Low | 51.5 | Low | 104 Ų | 104 | 123.3 Ų | 123.3 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -69.2 | 97.8 | 174.4 | -62.3 | 0 | 0 | 0 | 0 | 110.4 | M49 | S47-M49 VanDerWaalsContact C-N 3.26Å; S47-M49 PolarHBondContact O-N 3.44Å | ||
| 48 | L | 56.5 | Low | 51.3 | Low | 154 Ų | 154 | 126 Ų | 126 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | trans | -89.2 | 51.8 | 175.4 | -72.7 | 162.9 | 0 | 0 | 0 | 111.6 | L46 | L46-L48 PolarHBondContact O-N 3.31Å; L46-L48 VanDerWaalsContact O-N 3.13Å | ||
| 49 | M | 57.9 | Low | 50.6 | Low | 150 Ų | 150 | 129.4 Ų | 129.4 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | trans | -108.3 | 110.2 | 170.7 | -76.1 | -91.3 | 69.5 | 0 | 0 | 109.7 | S47 G51 | S47-M49 VanDerWaalsContact C-N 3.26Å; S47-M49 PolarHBondContact O-N 3.44Å; M49-G51 PolarHBondContact O-N 2.98Å; M49-G51 VanDerWaalsContact O-N 3.08Å | ||
| 50 | P | 53.3 | Low | 50 | Low | 130 Ų | 130 | 132.4 Ų | 132.4 | 84% | 0.844 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 103.8 | 168.4 | -13 | 27.9 | 0 | 0 | 0 | 108.6 | ||
| 51 | G | 55.7 | Low | 50.2 | Low | 78 Ų | 78 | 125.5 Ų | 125.5 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131.2 | 12.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | M49 D53 | M49-G51 PolarHBondContact O-N 2.98Å; M49-G51 VanDerWaalsContact O-N 3.08Å; G51-D53 PolarHBondContact O-N 3.41Å |
| 52 | A | 49.8 | Very low | 49.5 | Very low | 76 Ų | 76 | 126.1 Ų | 126.1 | 63% | 0.628 | 78% | 0.779 | S | S | * | * | trans | -91.9 | 89.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V54 | A52-V54 PolarHBondContact O-N 3.12Š| ||
| 53 | D | 41.9 | Very low | 48.9 | Very low | 159 Ų | 159 | 125 Ų | 125 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -60.6 | 106.3 | 156.8 | -169.5 | -90.9 | 0 | 0 | 0 | 107.4 | G51 | G51-D53 PolarHBondContact O-N 3.41Š| ||
| 54 | V | 58.5 | Low | 48.5 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | trans | -129.6 | 115.3 | 163.3 | -82.3 | 0 | 0 | 0 | 0 | 106.3 | A52 | A52-V54 PolarHBondContact O-N 3.12Š| ||
| 55 | G | 45.6 | Very low | 47.5 | Very low | 68 Ų | 68 | 131.4 Ų | 131.4 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -61.9 | 168.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 56 | A | 39.1 | Very low | 46.7 | Very low | 94 Ų | 94 | 135.1 Ų | 135.1 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | trans | -35.6 | 133.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 57 | E | 48.2 | Very low | 45.6 | Very low | 192 Ų | 192 | 137.1 Ų | 137.1 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | 176.6 | 150.8 | 115.3 | -90.1 | 176.3 | 142.5 | 0 | 0 | 109 | |||||
| 58 | Q | 43.9 | Very low | 44.5 | Very low | 187 Ų | 187 | 138.2 Ų | 138.2 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | 92.3 | 78.8 | 170.4 | -139 | 155.8 | 46.4 | 0 | 0 | 116.3 | ||||
| 59 | E | 43.1 | Very low | 43.4 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | 93.2 | 95.4 | 76.1 | -172.1 | 145.7 | 108.7 | 0 | 0 | 112.4 | A61 | E59-A61 PolarHBondContact O-N 3.41Š| |||
| 60 | Q | 35.7 | Very low | 42.3 | Very low | 186 Ų | 186 | 132.5 Ų | 132.5 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | trans | 15 | 101 | 141.1 | -69.8 | 159.3 | 17 | 0 | 0 | 117.4 | ||||
| 61 | A | 43.8 | Very low | 41.5 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | trans | -129.7 | 71.7 | 148.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | E59 | E59-A61 PolarHBondContact O-N 3.41Š| ||
| 62 | A | 36.6 | Very low | 40.8 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -84.6 | 151.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 63 | A | 39.3 | Very low | 41 | Very low | 102 Ų | 102 | 134 Ų | 134 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | 84.9 | 101.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 64 | R | 35.7 | Very low | 41.7 | Very low | 256 Ų | 256 | 132 Ų | 132 | 97% | 0.966 | 82% | 0.816 | S | S | * | * | 156.4 | 114.9 | 116.1 | -167.4 | 165.2 | -171.1 | 167 | -0.1 | 110.3 | |||||
| 65 | G | 35.8 | Very low | 42.1 | Very low | 77 Ų | 77 | 127.6 Ų | 127.6 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | 155.7 | 59 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 66 | Q | 40.1 | Very low | 43.6 | Very low | 195 Ų | 195 | 126.9 Ų | 126.9 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | -99.3 | 92.7 | 163.5 | -173.4 | 167.3 | 2.2 | 0 | 0 | 107.4 | ||||
| 67 | E | 40.5 | Very low | 45.9 | Very low | 174 Ų | 174 | 124.7 Ų | 124.7 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | -144.1 | 100.1 | 166.4 | -70.4 | -166.2 | 139.7 | 0 | 0 | 105.6 | ||||
| 68 | T | 34.5 | Very low | 47.7 | Very low | 127 Ų | 127 | 116.9 Ų | 116.9 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | 49.9 | 119.3 | 96.3 | 59.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 69 | A | 33.4 | Very low | 50 | Low | 112 Ų | 112 | 110.8 Ų | 110.8 | 93% | 0.926 | 70% | 0.699 | S | S | * | * | trans | 89.3 | 118.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 70 | G | 33.4 | Very low | 52.2 | Low | 72 Ų | 72 | 106.1 Ų | 106.1 | 74% | 0.742 | 68% | 0.678 | S | S | * | * | trans | 132.6 | 85.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A72 | G70-A72 PolarHBondContact O-N 3.44Š| ||
| 71 | S | 38 | Very low | 54.9 | Low | 134 Ų | 134 | 104.4 Ų | 104.4 | 94% | 0.937 | 67% | 0.668 | S | S | * | * | trans | -66.5 | 80.6 | 163.3 | 58.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 72 | A | 40.9 | Very low | 57.1 | Low | 73 Ų | 73 | 108.6 Ų | 108.6 | 60% | 0.603 | 66% | 0.662 | S | S | * | * | trans | -122.9 | 114 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | G70 T74 | G70-A72 PolarHBondContact O-N 3.44Å; A72-T74 PolarHBondContact O-N 3.22Å | ||
| 73 | S | 52.8 | Low | 59.6 | Low | 109 Ų | 109 | 107.5 Ų | 107.5 | 76% | 0.762 | 66% | 0.661 | S | S | * | * | trans | -42.1 | 87.8 | 175.8 | 171.5 | 0 | 0 | 0 | 0 | 113.2 | A75 | S73-A75 PolarHBondContact O-N 3.05Š| ||
| 74 | T | 57.7 | Low | 62.1 | Low | 116 Ų | 116 | 106.9 Ų | 106.9 | 71% | 0.712 | 66% | 0.664 | S | S | * | * | trans | -84.9 | 96.3 | 166.3 | 52.8 | 0 | 0 | 0 | 0 | 107.7 | A72 A76 | A72-T74 PolarHBondContact O-N 3.22Å; T74-A76 PolarHBondContact O-N 2.92Å | ||
| 75 | A | 66.1 | Low | 64.6 | Low | 38 Ų | 38 | 103.9 Ų | 103.9 | 31% | 0.314 | 65% | 0.653 | S | S | . | * | trans | -70 | 126.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | S73 D91 | S73-A75 PolarHBondContact O-N 3.05Å; A75-D91 VanDerWaalsContact CB-CA 3.47Å; A75-D91 HydrophobicContact CB-CB 3.78Å | ||
| 76 | A | 78 | Confident | 67.3 | Low | 54 Ų | 54 | 104.3 Ų | 104.3 | 45% | 0.446 | 64% | 0.64 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118 | 150.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | T74 L78 F92 | T74-A76 PolarHBondContact O-N 2.92Å; A76-L78 PolarHBondContact O-N 3.34Å; A76-F92 PolarHBondContact N-O 2.98Å; A76-F92 VanDerWaalsContact N-O 3.13Å; A76-F92 WeakPolarHBondContact O-CB 3.21Å; A76-F92 PolarHBondContact O-N 3.15Å |
| 77 | P | 86.9 | Confident | 69.8 | Low | 48 Ų | 48 | 98.3 Ų | 98.3 | 31% | 0.312 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.5 | 128 | 179.2 | 26.7 | -33.1 | 0 | 0 | 0 | 110.9 | F89 | P77-F89 CarbonylContact C-O 3.55Å; P77-F89 WeakPolarHBondContact CA-O 3.29Å |
| 78 | L | 87 | Confident | 72.3 | Confident | 28 Ų | 28 | 93.8 Ų | 93.8 | 15% | 0.147 | 60% | 0.6 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.1 | 123.8 | 172.3 | 177 | 65.9 | 0 | 0 | 0 | 109.8 | A76 I80 V88 F89 F92 | A76-L78 PolarHBondContact O-N 3.34Å; L78-I80 HydrophobicContact CD2-CD1 4.24Å; L78-I80 HydrophobicContact CD2-CG1 4.36Å; L78-I80 HydrophobicContact CG-CG1 4.24Å; L78-V88 CarbonylContact O-C 3.6Å; L78-V88 WeakPolarHBondContact O-CA 3.42Å; L78-F89 HydrophobicContact CB-CB 4.4Å; L78-F89 PolarHBondContact N-O 3.41Å; L78-F89 PolarHBondContact O-N 2.87Å; L78-F92 HydrophobicContact CB-CB 3.79Å; L78-F92 HydrophobicContact CB-CD1 4.02Å; L78-F92 HydrophobicContact CB-CG 3.88Å; L78-F92 HydrophobicContact CD2-CD1 3.64Å; L78-F92 HydrophobicContact CD2-CD2 4.26Å; L78-F92 HydrophobicContact CD2-CE1 3.54Å; L78-F92 HydrophobicContact CD2-CE2 4.21Å; L78-F92 HydrophobicContact CD2-CG 3.99Å; L78-F92 HydrophobicContact CD2-CZ 3.86Å; L78-F92 HydrophobicContact CG-CD1 4.41Å |
| 79 | T | 90.4 | Very high | 74.9 | Confident | 59 Ų | 59 | 92 Ų | 92 | 36% | 0.362 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111 | 126.9 | 175.4 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | F81 V86 V87 V88 | T79-F81 HydrophobicContact CG2-CD2 4.08Å; T79-F81 HydrophobicContact CG2-CE2 3.41Å; T79-F81 VanDerWaalsContact CG2-CE2 3.41Å; T79-F81 HydrophobicContact CG2-CZ 3.72Å; T79-V86 HydrophobicContact CG2-CG1 3.72Å; T79-V87 CarbonylContact C-O 3.59Å; T79-V87 WeakPolarHBondContact CA-O 3.36Å; T79-V88 HydrophobicContact CG2-CG2 3.92Å |
| 80 | I | 89.8 | Confident | 77.6 | Confident | 68 Ų | 68 | 92.7 Ų | 92.7 | 35% | 0.349 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.3 | 178.4 | -54.9 | -177.7 | 0 | 0 | 0 | 109.5 | L78 V87 F89 | L78-I80 HydrophobicContact CD2-CD1 4.24Å; L78-I80 HydrophobicContact CD2-CG1 4.36Å; L78-I80 HydrophobicContact CG-CG1 4.24Å; I80-V87 PolarHBondContact N-O 3.17Å; I80-V87 PolarHBondContact O-N 3.31Å; I80-F89 HydrophobicContact CD1-CE2 3.9Å; I80-F89 HydrophobicContact CG1-CE2 4.33Å |
| 81 | F | 92.4 | Very high | 80.2 | Confident | 150 Ų | 150 | 95 Ų | 95 | 66% | 0.658 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.3 | 116.2 | 171.9 | -62.3 | -96.8 | 0 | 0 | 0 | 109.3 | T79 R85 V86 | T79-F81 HydrophobicContact CG2-CD2 4.08Å; T79-F81 HydrophobicContact CG2-CE2 3.41Å; T79-F81 VanDerWaalsContact CG2-CE2 3.41Å; T79-F81 HydrophobicContact CG2-CZ 3.72Å; F81-R85 CarbonylContact C-O 3.5Å; F81-R85 WeakPolarHBondContact CA-O 3.35Å; F81-V86 HydrophobicContact CD1-CB 4.22Å; F81-V86 HydrophobicContact CD1-CG1 4.02Å; F81-V86 HydrophobicContact CD1-CG2 3.51Å; F81-V86 HydrophobicContact CE1-CB 4.11Å; F81-V86 HydrophobicContact CE1-CG1 3.58Å; F81-V86 HydrophobicContact CE1-CG2 3.44Å; F81-V86 VanDerWaalsContact CE1-CG2 3.44Å; F81-V86 HydrophobicContact CZ-CG1 3.89Å |
| 82 | Y | 91.2 | Very high | 82.5 | Confident | 195 Ų | 195 | 90.5 Ų | 90.5 | 77% | 0.765 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 128.2 | 179.8 | -176.6 | -101.4 | 0 | 0 | 0 | 112.1 | G84 R85 | Y82-G84 VanDerWaalsContact C-N 3.28Å; Y82-G84 PolarHBondContact O-N 3.4Å; Y82-R85 PolarHBondContact N-O 3.5Å; Y82-R85 WeakPolarHBondContact O-CB 3.39Å; Y82-R85 PolarHBondContact O-N 3.49Å |
| 83 | G | 88.2 | Confident | 84.8 | Confident | 71 Ų | 71 | 89 Ų | 89 | 73% | 0.732 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 34.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R85 | G83-R85 PolarHBondContact O-N 2.93Š|
| 84 | G | 91.9 | Very high | 86.3 | Confident | 88 Ų | 88 | 87.1 Ų | 87.1 | 91% | 0.907 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 8.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y82 | Y82-G84 VanDerWaalsContact C-N 3.28Å; Y82-G84 PolarHBondContact O-N 3.4Å |
| 85 | R | 88.8 | Confident | 87.7 | Confident | 194 Ų | 194 | 89.9 Ų | 89.9 | 73% | 0.732 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 146 | 176.4 | -59.3 | 179.6 | 179.1 | 148.6 | -0.2 | 110.6 | F81 Y82 G83 | F81-R85 CarbonylContact C-O 3.5Å; F81-R85 WeakPolarHBondContact CA-O 3.35Å; Y82-R85 PolarHBondContact N-O 3.5Å; Y82-R85 WeakPolarHBondContact O-CB 3.39Å; Y82-R85 PolarHBondContact O-N 3.49Å; G83-R85 PolarHBondContact O-N 2.93Å |
| 86 | V | 92.7 | Very high | 88.6 | Confident | 86 Ų | 86 | 92.6 Ų | 92.6 | 52% | 0.521 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 127.1 | 175.4 | -169.4 | 0 | 0 | 0 | 0 | 108 | T79 F81 V88 | T79-V86 HydrophobicContact CG2-CG1 3.72Å; F81-V86 HydrophobicContact CD1-CB 4.22Å; F81-V86 HydrophobicContact CD1-CG1 4.02Å; F81-V86 HydrophobicContact CD1-CG2 3.51Å; F81-V86 HydrophobicContact CE1-CB 4.11Å; F81-V86 HydrophobicContact CE1-CG1 3.58Å; F81-V86 HydrophobicContact CE1-CG2 3.44Å; F81-V86 VanDerWaalsContact CE1-CG2 3.44Å; F81-V86 HydrophobicContact CZ-CG1 3.89Å; V86-V88 HydrophobicContact CG1-CG2 4.36Å |
| 87 | V | 91 | Very high | 89 | Confident | 68 Ų | 68 | 91.2 Ų | 91.2 | 41% | 0.412 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 122 | 175.5 | -171.9 | 0 | 0 | 0 | 0 | 108 | T79 I80 F89 | T79-V87 CarbonylContact C-O 3.59Å; T79-V87 WeakPolarHBondContact CA-O 3.36Å; I80-V87 PolarHBondContact N-O 3.17Å; I80-V87 PolarHBondContact O-N 3.31Å; V87-F89 HydrophobicContact CB-CE2 4.18Å; V87-F89 HydrophobicContact CG1-CD2 4.24Å; V87-F89 HydrophobicContact CG1-CE1 4.2Å; V87-F89 HydrophobicContact CG1-CE2 3.49Å; V87-F89 VanDerWaalsContact CG1-CE2 3.49Å; V87-F89 HydrophobicContact CG1-CZ 3.48Å; V87-F89 VanDerWaalsContact CG1-CZ 3.48Å |
| 88 | V | 93.1 | Very high | 89 | Confident | 80 Ų | 80 | 90.9 Ų | 90.9 | 49% | 0.485 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.7 | 178.5 | -175.3 | 0 | 0 | 0 | 0 | 108.1 | L78 T79 V86 | L78-V88 CarbonylContact O-C 3.6Å; L78-V88 WeakPolarHBondContact O-CA 3.42Å; T79-V88 HydrophobicContact CG2-CG2 3.92Å; V86-V88 HydrophobicContact CG1-CG2 4.36Å |
| 89 | F | 89.9 | Confident | 89 | Confident | 89 Ų | 89 | 95 Ų | 95 | 39% | 0.39 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 107.5 | 174.2 | -60.7 | -86.9 | 0 | 0 | 0 | 108 | P77 L78 I80 V87 F92 | P77-F89 CarbonylContact C-O 3.55Å; P77-F89 WeakPolarHBondContact CA-O 3.29Å; L78-F89 HydrophobicContact CB-CB 4.4Å; L78-F89 PolarHBondContact N-O 3.41Å; L78-F89 PolarHBondContact O-N 2.87Å; I80-F89 HydrophobicContact CD1-CE2 3.9Å; I80-F89 HydrophobicContact CG1-CE2 4.33Å; V87-F89 HydrophobicContact CB-CE2 4.18Å; V87-F89 HydrophobicContact CG1-CD2 4.24Å; V87-F89 HydrophobicContact CG1-CE1 4.2Å; V87-F89 HydrophobicContact CG1-CE2 3.49Å; V87-F89 VanDerWaalsContact CG1-CE2 3.49Å; V87-F89 HydrophobicContact CG1-CZ 3.48Å; V87-F89 VanDerWaalsContact CG1-CZ 3.48Å; F89-F92 HydrophobicContact CB-CD2 4.29Å |
| 90 | D | 90 | Very high | 88.8 | Confident | 127 Ų | 127 | 95.2 Ų | 95.2 | 68% | 0.679 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 143.4 | 167.5 | -62.9 | -44.1 | 0 | 0 | 0 | 108.5 | ||
| 91 | D | 88.1 | Confident | 88.6 | Confident | 119 Ų | 119 | 97.1 Ų | 97.1 | 64% | 0.636 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 62.8 | 47.5 | -179.3 | -56.1 | -39.7 | 0 | 0 | 0 | 116.6 | A75 | A75-D91 VanDerWaalsContact CB-CA 3.47Å; A75-D91 HydrophobicContact CB-CB 3.78Å |
| 92 | F | 85.4 | Confident | 88.3 | Confident | 41 Ų | 41 | 99.3 Ų | 99.3 | 18% | 0.18 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 122.1 | 174.4 | -156.3 | -103.4 | 0 | 0 | 0 | 112.1 | A76 L78 F89 K96 A97 V100 | A76-F92 PolarHBondContact N-O 2.98Å; A76-F92 VanDerWaalsContact N-O 3.13Å; A76-F92 WeakPolarHBondContact O-CB 3.21Å; A76-F92 PolarHBondContact O-N 3.15Å; L78-F92 HydrophobicContact CB-CB 3.79Å; L78-F92 HydrophobicContact CB-CD1 4.02Å; L78-F92 HydrophobicContact CB-CG 3.88Å; L78-F92 HydrophobicContact CD2-CD1 3.64Å; L78-F92 HydrophobicContact CD2-CD2 4.26Å; L78-F92 HydrophobicContact CD2-CE1 3.54Å; L78-F92 HydrophobicContact CD2-CE2 4.21Å; L78-F92 HydrophobicContact CD2-CG 3.99Å; L78-F92 HydrophobicContact CD2-CZ 3.86Å; L78-F92 HydrophobicContact CG-CD1 4.41Å; F89-F92 HydrophobicContact CB-CD2 4.29Å; F92-K96 HydrophobicContact CD1-CB 4.46Å; F92-K96 HydrophobicContact CE1-CB 3.67Å; F92-K96 HydrophobicContact CZ-CB 3.7Å; F92-A97 HydrophobicContact CD1-CB 3.88Å; F92-A97 HydrophobicContact CE1-CB 3.93Å; F92-A97 VanDerWaalsContact CE1-N 3.28Å; F92-V100 HydrophobicContact CZ-CG2 4.21Å |
| 93 | P | 88.7 | Confident | 88.1 | Confident | 41 Ų | 41 | 95.5 Ų | 95.5 | 27% | 0.266 | 53% | 0.528 | S | S | . | . | trans | -70.9 | 137.7 | -179.1 | 27.3 | -32.9 | 0 | 0 | 0 | 111.7 | E95 K96 A97 | P93-E95 VanDerWaalsContact C-N 3.27Å; P93-E95 PolarHBondContact O-N 3.34Å; P93-K96 HydrophobicContact CG-CB 4.09Å; P93-K96 HydrophobicContact CG-CD 3.56Å; P93-K96 HydrophobicContact CG-CG 3.8Å; P93-K96 PolarHBondContact O-N 2.89Å; P93-K96 VanDerWaalsContact O-N 3.09Å; P93-A97 PolarHBondContact O-N 3.48Å | ||
| 94 | A | 85.4 | Confident | 87.8 | Confident | 70 Ų | 70 | 94.9 Ų | 94.9 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57.3 | -35.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A97 A98 | A94-A97 WeakPolarHBondContact O-CB 3.48Å; A94-A97 PolarHBondContact O-N 2.8Å; A94-A98 PolarHBondContact O-N 3.41Å |
| 95 | E | 86.2 | Confident | 87.1 | Confident | 173 Ų | 173 | 93.9 Ų | 93.9 | 81% | 0.808 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.3 | -42.8 | 178.5 | -171.2 | 177.9 | -170.2 | 0 | 0 | 111.9 | P93 A97 A98 E99 | P93-E95 VanDerWaalsContact C-N 3.27Å; P93-E95 PolarHBondContact O-N 3.34Å; E95-A97 VanDerWaalsContact C-N 3.31Å; E95-A97 PolarHBondContact O-N 3.13Å; E95-A98 PolarHBondContact O-N 3.11Å; E95-E99 PolarHBondContact O-N 3.29Å; E95-E99 VanDerWaalsContact O-N 3.15Å |
| 96 | K | 86.7 | Confident | 86 | Confident | 95 Ų | 95 | 87.8 Ų | 87.8 | 41% | 0.413 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.4 | -33.5 | 175.6 | -65.4 | -175.4 | -170.3 | -85.1 | 0 | 111.4 | F92 P93 A98 E99 V100 | F92-K96 HydrophobicContact CD1-CB 4.46Å; F92-K96 HydrophobicContact CE1-CB 3.67Å; F92-K96 HydrophobicContact CZ-CB 3.7Å; P93-K96 HydrophobicContact CG-CB 4.09Å; P93-K96 HydrophobicContact CG-CD 3.56Å; P93-K96 HydrophobicContact CG-CG 3.8Å; P93-K96 PolarHBondContact O-N 2.89Å; P93-K96 VanDerWaalsContact O-N 3.09Å; K96-A98 VanDerWaalsContact C-N 3.34Å; K96-E99 PolarHBondContact O-N 3.13Å; K96-V100 WeakPolarHBondContact O-CG2 3.31Å; K96-V100 PolarHBondContact O-N 3.23Å |
| 97 | A | 86 | Confident | 84.2 | Confident | 25 Ų | 25 | 88 Ų | 88 | 21% | 0.207 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F92 P93 A94 E95 E99 V100 M101 | F92-A97 HydrophobicContact CD1-CB 3.88Å; F92-A97 HydrophobicContact CE1-CB 3.93Å; F92-A97 VanDerWaalsContact CE1-N 3.28Å; P93-A97 PolarHBondContact O-N 3.48Å; A94-A97 WeakPolarHBondContact O-CB 3.48Å; A94-A97 PolarHBondContact O-N 2.8Å; E95-A97 VanDerWaalsContact C-N 3.31Å; E95-A97 PolarHBondContact O-N 3.13Å; A97-E99 VanDerWaalsContact C-N 3.3Å; A97-E99 PolarHBondContact O-N 3.42Å; A97-V100 PolarHBondContact O-N 3.31Å; A97-M101 WeakPolarHBondContact O-CB 3.4Å; A97-M101 WeakPolarHBondContact O-CG 3.36Å; A97-M101 PolarHBondContact O-N 2.99Å |
| 98 | A | 86.1 | Confident | 82 | Confident | 42 Ų | 42 | 91.3 Ų | 91.3 | 35% | 0.347 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | A94 E95 K96 M101 R102 | A94-A98 PolarHBondContact O-N 3.41Å; E95-A98 PolarHBondContact O-N 3.11Å; K96-A98 VanDerWaalsContact C-N 3.34Å; A98-M101 PolarHBondContact O-N 3.25Å; A98-R102 VanDerWaalsContact O-CG 3.29Å; A98-R102 WeakPolarHBondContact O-CG 3.49Å; A98-R102 PolarHBondContact O-N 3.48Å |
| 99 | E | 87.2 | Confident | 79.8 | Confident | 115 Ų | 115 | 98 Ų | 98 | 54% | 0.537 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.8 | -46.9 | 175.5 | -170.2 | 179.9 | -175.3 | 0 | 0 | 112.2 | E95 K96 A97 M101 R102 L103 | E95-E99 PolarHBondContact O-N 3.29Å; E95-E99 VanDerWaalsContact O-N 3.15Å; K96-E99 PolarHBondContact O-N 3.13Å; A97-E99 VanDerWaalsContact C-N 3.3Å; A97-E99 PolarHBondContact O-N 3.42Å; E99-M101 VanDerWaalsContact C-N 3.31Å; E99-M101 PolarHBondContact O-N 2.88Å; E99-R102 PolarHBondContact O-N 3.29Å; E99-L103 HydrophobicContact CG-CD1 4.18Å; E99-L103 WeakPolarHBondContact O-CG 3.05Å; E99-L103 PolarHBondContact O-N 3.38Å |
| 100 | V | 86.1 | Confident | 77.7 | Confident | 63 Ų | 63 | 99.6 Ų | 99.6 | 38% | 0.382 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -58.8 | -43.7 | 176.3 | 171.2 | 0 | 0 | 0 | 0 | 111 | F92 K96 A97 R102 L103 A104 | F92-V100 HydrophobicContact CZ-CG2 4.21Å; K96-V100 WeakPolarHBondContact O-CG2 3.31Å; K96-V100 PolarHBondContact O-N 3.23Å; A97-V100 PolarHBondContact O-N 3.31Å; V100-R102 PolarHBondContact O-N 3.36Å; V100-L103 PolarHBondContact O-N 2.93Å; V100-A104 WeakPolarHBondContact O-CB 3.45Å; V100-A104 PolarHBondContact O-N 3.44Å |
| 101 | M | 84.8 | Confident | 75.3 | Confident | 108 Ų | 108 | 97 Ų | 97 | 53% | 0.532 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.1 | -42.3 | 176.2 | -69.2 | -67.3 | -174.8 | 0 | 0 | 112 | A97 A98 E99 A104 A105 | A97-M101 WeakPolarHBondContact O-CB 3.4Å; A97-M101 WeakPolarHBondContact O-CG 3.36Å; A97-M101 PolarHBondContact O-N 2.99Å; A98-M101 PolarHBondContact O-N 3.25Å; E99-M101 VanDerWaalsContact C-N 3.31Å; E99-M101 PolarHBondContact O-N 2.88Å; M101-A104 PolarHBondContact O-N 3.36Å; M101-A105 WeakPolarHBondContact O-CB 3.37Å; M101-A105 PolarHBondContact O-N 3.42Å |
| 102 | R | 87.9 | Confident | 73.1 | Confident | 195 Ų | 195 | 94.7 Ų | 94.7 | 74% | 0.736 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.4 | -41.4 | 175.9 | -74.5 | 174 | -174.2 | 161.3 | 3.1 | 112.3 | A98 E99 V100 A105 G106 | A98-R102 VanDerWaalsContact O-CG 3.29Å; A98-R102 WeakPolarHBondContact O-CG 3.49Å; A98-R102 PolarHBondContact O-N 3.48Å; E99-R102 PolarHBondContact O-N 3.29Å; V100-R102 PolarHBondContact O-N 3.36Å; R102-A105 PolarHBondContact O-N 2.71Å; R102-G106 PolarHBondContact O-N 3.08Å |
| 103 | L | 86.8 | Confident | 71.4 | Confident | 116 Ų | 116 | 99 Ų | 99 | 61% | 0.607 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65 | -40.6 | 176.8 | -73.1 | 170.4 | 0 | 0 | 0 | 111.6 | E99 V100 G106 A107 | E99-L103 HydrophobicContact CG-CD1 4.18Å; E99-L103 WeakPolarHBondContact O-CG 3.05Å; E99-L103 PolarHBondContact O-N 3.38Å; V100-L103 PolarHBondContact O-N 2.93Å; L103-G106 PolarHBondContact O-N 3.2Å; L103-A107 PolarHBondContact O-N 3.37Å |
| 104 | A | 81.3 | Confident | 69.3 | Low | 58 Ų | 58 | 101 Ų | 101 | 48% | 0.479 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.9 | -44.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V100 M101 G106 A107 E108 | V100-A104 WeakPolarHBondContact O-CB 3.45Å; V100-A104 PolarHBondContact O-N 3.44Å; M101-A104 PolarHBondContact O-N 3.36Å; A104-G106 VanDerWaalsContact C-N 3.26Å; A104-G106 PolarHBondContact O-N 3.12Å; A104-A107 PolarHBondContact O-N 3.39Å; A104-E108 PolarHBondContact O-N 3.36Å; A104-E108 VanDerWaalsContact O-N 3.12Å |
| 105 | A | 78.1 | Confident | 67.4 | Low | 66 Ų | 66 | 103.4 Ų | 103.4 | 55% | 0.545 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64 | -29.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | M101 R102 E108 | M101-A105 WeakPolarHBondContact O-CB 3.37Å; M101-A105 PolarHBondContact O-N 3.42Å; R102-A105 PolarHBondContact O-N 2.71Å; A105-E108 CarbonylContact O-C 3.57Å |
| 106 | G | 65.2 | Low | 65.9 | Low | 66 Ų | 66 | 99.2 Ų | 99.2 | 68% | 0.68 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -79.2 | -24.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R102 L103 A104 E108 | R102-G106 PolarHBondContact O-N 3.08Å; L103-G106 PolarHBondContact O-N 3.2Å; A104-G106 VanDerWaalsContact C-N 3.26Å; A104-G106 PolarHBondContact O-N 3.12Å; G106-E108 VanDerWaalsContact C-N 3.33Å |
| 107 | A | 54.7 | Low | 64.4 | Low | 91 Ų | 91 | 100.9 Ų | 100.9 | 75% | 0.752 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -75.8 | -27.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L103 A104 R109 | L103-A107 PolarHBondContact O-N 3.37Å; A104-A107 PolarHBondContact O-N 3.39Å; A107-R109 PolarHBondContact O-N 3.18Å |
| 108 | E | 45 | Very low | 62.9 | Low | 138 Ų | 138 | 103.5 Ų | 103.5 | 65% | 0.645 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -91.9 | 83.7 | 171.9 | -135.8 | 179.5 | -174.3 | 0 | 0 | 109.9 | A104 A105 G106 | A104-E108 PolarHBondContact O-N 3.36Å; A104-E108 VanDerWaalsContact O-N 3.12Å; A105-E108 CarbonylContact O-C 3.57Å; G106-E108 VanDerWaalsContact C-N 3.33Å |
| 109 | R | 47.3 | Very low | 61.6 | Low | 221 Ų | 221 | 106.6 Ų | 106.6 | 83% | 0.834 | 66% | 0.663 | S | S | * | * | trans | -43.5 | 128.7 | 158 | -172 | -177.4 | -58 | -162.7 | 0.8 | 107 | A107 A111 | A107-R109 PolarHBondContact O-N 3.18Å; R109-A111 PolarHBondContact O-N 3.4Å | ||
| 110 | P | 44.2 | Very low | 60 | Low | 121 Ų | 121 | 111.9 Ų | 111.9 | 79% | 0.786 | 68% | 0.678 | S | S | * | * | trans | -55.1 | 105.3 | -167.2 | 21.6 | -33.2 | 0 | 0 | 0 | 108.9 | A112 | P110-A112 PolarHBondContact O-N 3.16Š| ||
| 111 | A | 39.5 | Very low | 59 | Low | 74 Ų | 74 | 114 Ų | 114 | 61% | 0.612 | 69% | 0.687 | S | S | * | * | trans | -74.1 | 82 | 169.1 | 0 | 0 | 0 | 0 | 0 | 105.8 | R109 | R109-A111 PolarHBondContact O-N 3.4Š| ||
| 112 | A | 43 | Very low | 58.1 | Low | 70 Ų | 70 | 116.8 Ų | 116.8 | 58% | 0.579 | 71% | 0.705 | S | S | * | * | trans | -39.5 | 145.1 | 144.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | P110 A114 | P110-A112 PolarHBondContact O-N 3.16Å; A112-A114 VanDerWaalsContact C-N 3.33Å; A112-A114 WeakPolarHBondContact O-CA 3.49Å; A112-A114 PolarHBondContact O-N 2.75Å | ||
| 113 | P | 49.5 | Very low | 57.1 | Low | 132 Ų | 132 | 111.2 Ų | 111.2 | 86% | 0.857 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -51.5 | 98.2 | -174.5 | 22.5 | -34 | 0 | 0 | 0 | 109.3 | P115 | P113-P115 WeakPolarHBondContact O-CD 3.43Š|
| 114 | A | 45.2 | Very low | 56.4 | Low | 81 Ų | 81 | 109.6 Ų | 109.6 | 67% | 0.669 | 69% | 0.685 | S | S | * | * | trans | -80.7 | 123.9 | -166.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | A112 | A112-A114 VanDerWaalsContact C-N 3.33Å; A112-A114 WeakPolarHBondContact O-CA 3.49Å; A112-A114 PolarHBondContact O-N 2.75Å | ||
| 115 | P | 45.5 | Very low | 55.8 | Low | 121 Ų | 121 | 113.8 Ų | 113.8 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | trans | -60.1 | 145.2 | 168.7 | 27.8 | -32.1 | 0 | 0 | 0 | 108.5 | P113 | P113-P115 WeakPolarHBondContact O-CD 3.43Š| ||
| 116 | A | 54.8 | Low | 55.3 | Low | 85 Ų | 85 | 114.1 Ų | 114.1 | 70% | 0.702 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -13.7 | 138.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | A118 | A116-A118 PolarHBondContact O-N 3.35Š|
| 117 | P | 54.4 | Low | 55.8 | Low | 131 Ų | 131 | 118.9 Ų | 118.9 | 85% | 0.851 | 70% | 0.698 | S | S | * | * | trans | -57.3 | 114.6 | 179.1 | 25.5 | -33.6 | 0 | 0 | 0 | 110.6 | ||||
| 118 | A | 55 | Low | 57 | Low | 80 Ų | 80 | 118.1 Ų | 118.1 | 66% | 0.661 | 68% | 0.678 | S | S | * | * | trans | -53.8 | 141.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | A116 R120 | A116-A118 PolarHBondContact O-N 3.35Å; A118-R120 PolarHBondContact O-N 2.85Å; A118-R120 VanDerWaalsContact O-N 3.09Å | ||
| 119 | P | 57.9 | Low | 58.7 | Low | 107 Ų | 107 | 113.7 Ų | 113.7 | 70% | 0.695 | 67% | 0.665 | S | S | * | * | trans | -63 | 117.8 | -171.4 | 27.5 | -34.8 | 0 | 0 | 0 | 109.6 | D121 | P119-D121 PolarHBondContact O-N 3.47Š| ||
| 120 | R | 54.1 | Low | 60.6 | Low | 226 Ų | 226 | 106.9 Ų | 106.9 | 85% | 0.853 | 65% | 0.652 | S | S | * | * | trans | -68.6 | 97.6 | 174.6 | -76.3 | -179.5 | 162.6 | 149.2 | -3.2 | 109.3 | A118 D122 | A118-R120 PolarHBondContact O-N 2.85Å; A118-R120 VanDerWaalsContact O-N 3.09Å; R120-D122 PolarHBondContact O-N 2.89Å | ||
| 121 | D | 65.1 | Low | 62.5 | Low | 106 Ų | 106 | 105.9 Ų | 105.9 | 57% | 0.567 | 64% | 0.639 | S | S | * | * | trans | -80.2 | 10.5 | -179.2 | -90 | -43.7 | 0 | 0 | 0 | 115 | P119 L123 K128 | P119-D121 PolarHBondContact O-N 3.47Å; D121-L123 VanDerWaalsContact C-N 3.26Å; D121-L123 PolarHBondContact O-N 3.27Å; D121-K128 VanDerWaalsContact CG-NZ 3.27Å; D121-K128 WeakPolarHBondContact O-CE 3.43Å; D121-K128 PolarHBondContact O-NZ 3.12Å; D121-K128 WeakPolarHBondContact OD1-CE 3.42Å; D121-K128 IonicContact OD1-NZ 3.59Å; D121-K128 PolarHBondContact OD1-NZ 2.77Å | ||
| 122 | D | 66 | Low | 64.8 | Low | 168 Ų | 168 | 109.2 Ų | 109.2 | 90% | 0.898 | 64% | 0.642 | S | S | * | * | trans | -82.8 | 10.4 | -177.1 | -95.8 | -15.6 | 0 | 0 | 0 | 115.1 | R120 | R120-D122 PolarHBondContact O-N 2.89Š| ||
| 123 | L | 66.2 | Low | 67 | Low | 77 Ų | 77 | 115.6 Ų | 115.6 | 40% | 0.403 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -82.9 | 134.9 | 178.2 | -69.6 | 148.3 | 0 | 0 | 0 | 109.4 | D121 I125 R127 | D121-L123 VanDerWaalsContact C-N 3.26Å; D121-L123 PolarHBondContact O-N 3.27Å; L123-I125 PolarHBondContact O-N 2.78Å; L123-R127 HydrophobicContact CB-CB 4.07Å; L123-R127 HydrophobicContact CD2-CB 4.48Å; L123-R127 VanDerWaalsContact CD2-CD 3.46Å |
| 124 | P | 73.6 | Confident | 68.8 | Low | 83 Ų | 83 | 114 Ų | 114 | 54% | 0.539 | 63% | 0.631 | S | S | . | * | trans | -51.3 | 141.1 | 177.3 | 22.1 | -33.4 | 0 | 0 | 0 | 109.7 | A126 R127 K128 | P124-A126 PolarHBondContact O-N 3.34Å; P124-R127 HydrophobicContact CG-CG 4.35Å; P124-R127 WeakPolarHBondContact O-CB 3.29Å; P124-R127 PolarHBondContact O-N 2.84Å; P124-K128 PolarHBondContact O-N 3.01Å | ||
| 125 | I | 66.6 | Low | 70.9 | Confident | 146 Ų | 146 | 113.8 Ų | 113.8 | 75% | 0.749 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -47.2 | -33.2 | -173.7 | -65.1 | 165.2 | 0 | 0 | 0 | 112.2 | L123 R127 K128 A129 | L123-I125 PolarHBondContact O-N 2.78Å; I125-R127 PolarHBondContact O-N 3.41Å; I125-K128 PolarHBondContact O-N 2.96Å; I125-K128 VanDerWaalsContact O-N 3.12Å; I125-A129 PolarHBondContact O-N 3.46Å |
| 126 | A | 69.2 | Low | 72.8 | Confident | 73 Ų | 73 | 110.3 Ų | 110.3 | 60% | 0.603 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -57.3 | -39.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | P124 S130 | P124-A126 PolarHBondContact O-N 3.34Å; A126-S130 WeakPolarHBondContact O-CB 3.21Å; A126-S130 PolarHBondContact O-N 3.49Å; A126-S130 PolarHBondContact O-OG 2.74Å |
| 127 | R | 75.4 | Confident | 74.3 | Confident | 165 Ų | 165 | 113 Ų | 113 | 62% | 0.623 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.3 | -36.5 | 173.5 | -82.3 | -171.7 | -178.9 | 165 | -0.7 | 111.6 | L123 P124 I125 L131 | L123-R127 HydrophobicContact CB-CB 4.07Å; L123-R127 HydrophobicContact CD2-CB 4.48Å; L123-R127 VanDerWaalsContact CD2-CD 3.46Å; P124-R127 HydrophobicContact CG-CG 4.35Å; P124-R127 WeakPolarHBondContact O-CB 3.29Å; P124-R127 PolarHBondContact O-N 2.84Å; I125-R127 PolarHBondContact O-N 3.41Å; R127-L131 WeakPolarHBondContact O-CB 3.42Å; R127-L131 PolarHBondContact O-N 3.43Å |
| 128 | K | 79.8 | Confident | 75.8 | Confident | 75 Ų | 75 | 113.6 Ų | 113.6 | 33% | 0.326 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.5 | -48.3 | 178 | -65.2 | -168.3 | -175.2 | -169.3 | 0 | 112.5 | D121 P124 I125 S130 L131 Q132 | D121-K128 VanDerWaalsContact CG-NZ 3.27Å; D121-K128 WeakPolarHBondContact O-CE 3.43Å; D121-K128 PolarHBondContact O-NZ 3.12Å; D121-K128 WeakPolarHBondContact OD1-CE 3.42Å; D121-K128 IonicContact OD1-NZ 3.59Å; D121-K128 PolarHBondContact OD1-NZ 2.77Å; P124-K128 PolarHBondContact O-N 3.01Å; I125-K128 PolarHBondContact O-N 2.96Å; I125-K128 VanDerWaalsContact O-N 3.12Å; K128-S130 PolarHBondContact O-N 2.98Å; K128-L131 PolarHBondContact O-N 2.83Å; K128-Q132 VanDerWaalsContact O-CB 3.28Å; K128-Q132 WeakPolarHBondContact O-CB 3.33Å; K128-Q132 PolarHBondContact O-N 2.97Å |
| 129 | A | 80.7 | Confident | 77.2 | Confident | 46 Ų | 46 | 116.3 Ų | 116.3 | 38% | 0.38 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64 | -41.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I125 Q132 R133 | I125-A129 PolarHBondContact O-N 3.46Å; A129-Q132 PolarHBondContact O-N 2.72Å; A129-R133 WeakPolarHBondContact O-CG 3Å; A129-R133 PolarHBondContact O-N 3.31Å |
| 130 | S | 87.1 | Confident | 77.9 | Confident | 78 Ų | 78 | 115.6 Ų | 115.6 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.3 | -44.6 | 177 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | A126 K128 R133 F134 | A126-S130 WeakPolarHBondContact O-CB 3.21Å; A126-S130 PolarHBondContact O-N 3.49Å; A126-S130 PolarHBondContact O-OG 2.74Å; K128-S130 PolarHBondContact O-N 2.98Å; S130-R133 PolarHBondContact O-N 3.45Å; S130-F134 VanDerWaalsContact O-CB 3.29Å; S130-F134 WeakPolarHBondContact O-CB 3.26Å; S130-F134 PolarHBondContact O-N 3.03Å |
| 131 | L | 84.9 | Confident | 79.1 | Confident | 100 Ų | 100 | 113.5 Ų | 113.5 | 52% | 0.524 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.5 | -40.7 | 176.6 | -164.8 | 92.6 | 0 | 0 | 0 | 111.3 | R127 K128 F134 L135 | R127-L131 WeakPolarHBondContact O-CB 3.42Å; R127-L131 PolarHBondContact O-N 3.43Å; K128-L131 PolarHBondContact O-N 2.83Å; L131-F134 CarbonylContact O-C 3.51Å; L131-F134 WeakPolarHBondContact O-CB 3.38Å; L131-F134 PolarHBondContact O-N 2.89Å; L131-L135 HydrophobicContact CD2-CD1 3.9Å; L131-L135 HydrophobicContact CG-CD1 4.08Å; L131-L135 HydrophobicContact CG-CG 4.26Å; L131-L135 WeakPolarHBondContact O-CB 3.28Å; L131-L135 VanDerWaalsContact O-CG 3.26Å; L131-L135 WeakPolarHBondContact O-CG 3.42Å; L131-L135 PolarHBondContact O-N 2.77Å |
| 132 | Q | 86.7 | Confident | 79.1 | Confident | 144 Ų | 144 | 115.6 Ų | 115.6 | 67% | 0.673 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.2 | -47.1 | 177.8 | -176 | -179.1 | -28.7 | 0 | 0 | 111.6 | K128 A129 F134 L135 A136 | K128-Q132 VanDerWaalsContact O-CB 3.28Å; K128-Q132 WeakPolarHBondContact O-CB 3.33Å; K128-Q132 PolarHBondContact O-N 2.97Å; A129-Q132 PolarHBondContact O-N 2.72Å; Q132-F134 VanDerWaalsContact C-N 3.29Å; Q132-F134 PolarHBondContact O-N 3.35Å; Q132-L135 PolarHBondContact O-N 3.43Å; Q132-A136 WeakPolarHBondContact O-CB 3.37Å; Q132-A136 PolarHBondContact O-N 3.09Å |
| 133 | R | 89.1 | Confident | 79.1 | Confident | 204 Ų | 204 | 113.5 Ų | 113.5 | 77% | 0.77 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -59.9 | -40.8 | 173.5 | -72.1 | 179.2 | 178.1 | -161.4 | -0.8 | 111.6 | A129 S130 K137 | A129-R133 WeakPolarHBondContact O-CG 3Å; A129-R133 PolarHBondContact O-N 3.31Å; S130-R133 PolarHBondContact O-N 3.45Å; R133-K137 WeakPolarHBondContact O-CB 3.39Å; R133-K137 PolarHBondContact O-N 2.99Å |
| 134 | F | 87.5 | Confident | 78.9 | Confident | 98 Ų | 98 | 116.7 Ų | 116.7 | 43% | 0.43 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.9 | -43.4 | 177.8 | 179.9 | -106.3 | 0 | 0 | 0 | 112.9 | S130 L131 Q132 K137 R138 | S130-F134 VanDerWaalsContact O-CB 3.29Å; S130-F134 WeakPolarHBondContact O-CB 3.26Å; S130-F134 PolarHBondContact O-N 3.03Å; L131-F134 CarbonylContact O-C 3.51Å; L131-F134 WeakPolarHBondContact O-CB 3.38Å; L131-F134 PolarHBondContact O-N 2.89Å; Q132-F134 VanDerWaalsContact C-N 3.29Å; Q132-F134 PolarHBondContact O-N 3.35Å; F134-K137 PolarHBondContact O-N 2.67Å; F134-R138 WeakPolarHBondContact O-CB 3.47Å; F134-R138 WeakPolarHBondContact O-CG 3.31Å; F134-R138 PolarHBondContact O-N 3.15Å |
| 135 | L | 88.9 | Confident | 78.3 | Confident | 77 Ų | 77 | 120.1 Ų | 120.1 | 40% | 0.403 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.6 | -38.7 | 177.4 | -69.6 | 177.9 | 0 | 0 | 0 | 111.6 | L131 Q132 R138 K139 | L131-L135 HydrophobicContact CD2-CD1 3.9Å; L131-L135 HydrophobicContact CG-CD1 4.08Å; L131-L135 HydrophobicContact CG-CG 4.26Å; L131-L135 WeakPolarHBondContact O-CB 3.28Å; L131-L135 VanDerWaalsContact O-CG 3.26Å; L131-L135 WeakPolarHBondContact O-CG 3.42Å; L131-L135 PolarHBondContact O-N 2.77Å; Q132-L135 PolarHBondContact O-N 3.43Å; L135-R138 PolarHBondContact O-N 3.32Å; L135-K139 VanDerWaalsContact O-CG 3.31Å; L135-K139 WeakPolarHBondContact O-CG 3.47Å; L135-K139 PolarHBondContact O-N 3.22Å |
| 136 | A | 85.5 | Confident | 78 | Confident | 48 Ų | 48 | 115.9 Ų | 115.9 | 40% | 0.397 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -57.5 | -52.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q132 R138 K139 D140 | Q132-A136 WeakPolarHBondContact O-CB 3.37Å; Q132-A136 PolarHBondContact O-N 3.09Å; A136-R138 PolarHBondContact O-N 2.98Å; A136-R138 VanDerWaalsContact O-N 3.15Å; A136-K139 WeakPolarHBondContact O-CB 3.5Å; A136-K139 PolarHBondContact O-N 2.97Å; A136-D140 PolarHBondContact O-N 2.87Å |
| 137 | K | 86.7 | Confident | 77.9 | Confident | 140 Ų | 140 | 118.5 Ų | 118.5 | 61% | 0.609 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.9 | -28 | 178.8 | -166.6 | 163.7 | -168.5 | 172.6 | 0 | 114 | R133 F134 | R133-K137 WeakPolarHBondContact O-CB 3.39Å; R133-K137 PolarHBondContact O-N 2.99Å; F134-K137 PolarHBondContact O-N 2.67Å |
| 138 | R | 85.5 | Confident | 77.1 | Confident | 144 Ų | 144 | 119.7 Ų | 119.7 | 54% | 0.543 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -78.6 | -37.1 | 173.4 | -79.8 | -175.7 | 167.7 | -173 | -3.6 | 112.7 | F134 L135 A136 D140 R141 L142 | F134-R138 WeakPolarHBondContact O-CB 3.47Å; F134-R138 WeakPolarHBondContact O-CG 3.31Å; F134-R138 PolarHBondContact O-N 3.15Å; L135-R138 PolarHBondContact O-N 3.32Å; A136-R138 PolarHBondContact O-N 2.98Å; A136-R138 VanDerWaalsContact O-N 3.15Å; R138-D140 VanDerWaalsContact C-N 3.34Å; R138-R141 PolarHBondContact O-N 3.49Å; R138-L142 PolarHBondContact O-N 3.44Å |
| 139 | K | 84.5 | Confident | 76.3 | Confident | 137 Ų | 137 | 118.1 Ų | 118.1 | 60% | 0.596 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.7 | -40.1 | 174.8 | -75 | 175 | 178.7 | -179.7 | 0 | 111 | L135 A136 R141 L142 V143 | L135-K139 VanDerWaalsContact O-CG 3.31Å; L135-K139 WeakPolarHBondContact O-CG 3.47Å; L135-K139 PolarHBondContact O-N 3.22Å; A136-K139 WeakPolarHBondContact O-CB 3.5Å; A136-K139 PolarHBondContact O-N 2.97Å; K139-R141 PolarHBondContact O-N 3.34Å; K139-L142 PolarHBondContact O-N 2.96Å; K139-V143 WeakPolarHBondContact O-CG2 3.44Å; K139-V143 PolarHBondContact O-N 3Å |
| 140 | D | 73.4 | Confident | 74.9 | Confident | 93 Ų | 93 | 127 Ų | 127 | 50% | 0.497 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -57 | -37.9 | 176 | -62.7 | -30.8 | 0 | 0 | 0 | 111.6 | A136 R138 L142 V143 E144 | A136-D140 PolarHBondContact O-N 2.87Å; R138-D140 VanDerWaalsContact C-N 3.34Å; D140-L142 PolarHBondContact O-N 2.91Å; D140-V143 PolarHBondContact O-N 2.79Å; D140-E144 WeakPolarHBondContact O-CB 3.39Å; D140-E144 WeakPolarHBondContact O-CG 3.21Å; D140-E144 PolarHBondContact O-N 3.48Å |
| 141 | R | 78.9 | Confident | 73.5 | Confident | 181 Ų | 181 | 128.2 Ų | 128.2 | 68% | 0.683 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.8 | -21.7 | 175.9 | -66.1 | 177.2 | 177.2 | -132.2 | -4.4 | 115.1 | R138 K139 | R138-R141 PolarHBondContact O-N 3.49Å; K139-R141 PolarHBondContact O-N 3.34Å |
| 142 | L | 65.8 | Low | 71.8 | Confident | 150 Ų | 150 | 127.6 Ų | 127.6 | 79% | 0.785 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -83.6 | -34.5 | 175.3 | -74 | 171.6 | 0 | 0 | 0 | 110.7 | R138 K139 D140 | R138-L142 PolarHBondContact O-N 3.44Å; K139-L142 PolarHBondContact O-N 2.96Å; D140-L142 PolarHBondContact O-N 2.91Å |
| 143 | V | 65.6 | Low | 70.1 | Confident | 124 Ų | 124 | 126.6 Ų | 126.6 | 75% | 0.752 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -76.1 | -43.6 | 175.6 | 177.9 | 0 | 0 | 0 | 0 | 110.4 | K139 D140 R145 | K139-V143 WeakPolarHBondContact O-CG2 3.44Å; K139-V143 PolarHBondContact O-N 3Å; D140-V143 PolarHBondContact O-N 2.79Å; V143-R145 VanDerWaalsContact C-N 3.28Å; V143-R145 PolarHBondContact O-N 3.25Å |
| 144 | E | 61.5 | Low | 68.1 | Low | 144 Ų | 144 | 121.3 Ų | 121.3 | 67% | 0.673 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -78.1 | 83.3 | 167.3 | -64.9 | -179.8 | 174.8 | 0 | 0 | 108.8 | D140 A146 | D140-E144 WeakPolarHBondContact O-CB 3.39Å; D140-E144 WeakPolarHBondContact O-CG 3.21Å; D140-E144 PolarHBondContact O-N 3.48Å; E144-A146 PolarHBondContact O-N 3.31Å; E144-A146 VanDerWaalsContact O-N 3.09Å |
| 145 | R | 61 | Low | 66.6 | Low | 156 Ų | 156 | 125.8 Ų | 125.8 | 59% | 0.589 | 64% | 0.639 | S | S | * | * | trans | -26 | 117.1 | 162.4 | 175.7 | 170.3 | 167.1 | 158.5 | -6.6 | 110.4 | V143 A149 P151 | V143-R145 VanDerWaalsContact C-N 3.28Å; V143-R145 PolarHBondContact O-N 3.25Å; R145-A149 HydrophobicContact CG-CB 3.31Å; R145-A149 PolarHBondContact NE-O 3.48Å; R145-A149 PolarHBondContact NH2-O 2.8Å; R145-P151 VanDerWaalsContact NH2-N 3.12Å | ||
| 146 | A | 60.7 | Low | 64.5 | Low | 56 Ų | 56 | 130.8 Ų | 130.8 | 46% | 0.463 | 66% | 0.66 | S | S | . | * | trans | -49 | 146.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E144 Y148 A149 | E144-A146 PolarHBondContact O-N 3.31Å; E144-A146 VanDerWaalsContact O-N 3.09Å; A146-Y148 PolarHBondContact O-N 2.88Å; A146-A149 WeakPolarHBondContact O-CB 3.42Å; A146-A149 PolarHBondContact O-N 3.09Å | ||
| 147 | P | 66.9 | Low | 62.5 | Low | 128 Ų | 128 | 133 Ų | 133 | 83% | 0.831 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -7.3 | 178.7 | -24.5 | 32.3 | 0 | 0 | 0 | 115.3 | ||
| 148 | Y | 58.8 | Low | 60.9 | Low | 190 Ų | 190 | 135 Ų | 135 | 75% | 0.745 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.6 | 10.1 | -179.9 | -55 | -70.7 | 0 | 0 | 0 | 114.1 | A146 R150 | A146-Y148 PolarHBondContact O-N 2.88Å; Y148-R150 VanDerWaalsContact C-N 3.33Å; Y148-R150 PolarHBondContact O-N 3.27Å |
| 149 | A | 62.6 | Low | 59.2 | Low | 42 Ų | 42 | 137.3 Ų | 137.3 | 35% | 0.347 | 70% | 0.704 | S | S | . | * | trans | -68.1 | 95.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109 | R145 A146 | R145-A149 HydrophobicContact CG-CB 3.31Å; R145-A149 PolarHBondContact NE-O 3.48Å; R145-A149 PolarHBondContact NH2-O 2.8Å; A146-A149 WeakPolarHBondContact O-CB 3.42Å; A146-A149 PolarHBondContact O-N 3.09Å | ||
| 150 | R | 51 | Low | 57.4 | Low | 234 Ų | 234 | 135.3 Ų | 135.3 | 88% | 0.883 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 122.9 | 178.6 | -73.7 | -174.8 | -177.7 | -176.7 | 0.8 | 109.5 | Y148 S152 | Y148-R150 VanDerWaalsContact C-N 3.33Å; Y148-R150 PolarHBondContact O-N 3.27Å; R150-S152 PolarHBondContact O-N 3.27Å |
| 151 | P | 57.4 | Low | 56.5 | Low | 102 Ų | 102 | 140.5 Ų | 140.5 | 66% | 0.662 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -62 | 135.3 | 165.8 | 26.1 | -29.4 | 0 | 0 | 0 | 108.5 | R145 | R145-P151 VanDerWaalsContact NH2-N 3.12Š|
| 152 | S | 49.5 | Very low | 55.4 | Low | 87 Ų | 87 | 137.9 Ų | 137.9 | 61% | 0.608 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 138.4 | 164.2 | 45.9 | 0 | 0 | 0 | 0 | 108.8 | R150 S154 | R150-S152 PolarHBondContact O-N 3.27Å; S152-S154 VanDerWaalsContact C-N 3.31Å; S152-S154 PolarHBondContact O-N 2.96Å |
| 153 | P | 50.6 | Low | 54.7 | Low | 123 Ų | 123 | 135.9 Ų | 135.9 | 80% | 0.799 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 87.7 | -179.1 | 31.2 | -32.3 | 0 | 0 | 0 | 108.5 | ||
| 154 | S | 48.8 | Very low | 54.7 | Low | 93 Ų | 93 | 135 Ų | 135 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.4 | -5 | 171.8 | 52 | 0 | 0 | 0 | 0 | 115 | S152 | S152-S154 VanDerWaalsContact C-N 3.31Å; S152-S154 PolarHBondContact O-N 2.96Å |
| 155 | E | 55 | Low | 54.6 | Low | 193 Ų | 193 | 133.5 Ų | 133.5 | 90% | 0.902 | 75% | 0.748 | S | S | * | * | trans | -147.4 | 80.4 | 172.4 | -76.4 | -179.2 | 104 | 0 | 0 | 109.4 | ||||
| 156 | E | 44.3 | Very low | 55 | Low | 182 Ų | 182 | 135.7 Ų | 135.7 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | trans | -112.9 | 79.8 | -177.2 | -160.9 | 168.3 | -161.1 | 0 | 0 | 109.2 | ||||
| 157 | A | 43.3 | Very low | 54.8 | Low | 93 Ų | 93 | 139.6 Ų | 139.6 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | -159.3 | 126.5 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 158 | E | 54.4 | Low | 54.1 | Low | 184 Ų | 184 | 137 Ų | 137 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | 89.2 | 126.7 | 160.6 | -67.7 | -156.3 | 101.7 | 0 | 0 | 121.4 | ||||
| 159 | K | 49.1 | Very low | 53.9 | Low | 191 Ų | 191 | 136.5 Ų | 136.5 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | 89.7 | 77 | 159 | -80.9 | 174.8 | 176.2 | 163.8 | 0 | 119.4 | ||||
| 160 | A | 46.9 | Very low | 53 | Low | 96 Ų | 96 | 138.4 Ų | 138.4 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | -35.9 | 133.3 | 143.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 161 | K | 54.8 | Low | 53 | Low | 201 Ų | 201 | 130.3 Ų | 130.3 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -146.2 | 140.6 | 140.4 | -72.2 | -166.1 | 179.7 | 172.8 | 0 | 109.4 | ||||
| 162 | P | 54.8 | Low | 52.8 | Low | 126 Ų | 126 | 132 Ų | 132 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 150.8 | -163.5 | 31.5 | -34.3 | 0 | 0 | 0 | 113 | S164 | P162-S164 PolarHBondContact O-N 2.99Š|
| 163 | A | 52.5 | Low | 53 | Low | 109 Ų | 109 | 135.2 Ų | 135.2 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 116.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 164 | S | 64.4 | Low | 53.2 | Low | 105 Ų | 105 | 133.5 Ų | 133.5 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 136.8 | 169.1 | -176.8 | 0 | 0 | 0 | 0 | 110.4 | P162 W166 | P162-S164 PolarHBondContact O-N 2.99Å; S164-W166 PolarHBondContact O-N 2.99Å |
| 165 | S | 60.6 | Low | 53.9 | Low | 113 Ų | 113 | 137.3 Ų | 137.3 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 118 | -172.6 | 53.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 166 | W | 69 | Low | 53.9 | Low | 202 Ų | 202 | 138.6 Ų | 138.6 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | trans | -118.9 | 2.7 | 169.9 | 68.9 | -76.7 | 0 | 0 | 0 | 113.6 | S164 | S164-W166 PolarHBondContact O-N 2.99Š| ||
| 167 | L | 56.7 | Low | 55 | Low | 137 Ų | 137 | 138.4 Ų | 138.4 | 72% | 0.717 | 81% | 0.811 | S | S | * | * | trans | -101.3 | 38.8 | 178.8 | -60 | -173.4 | 0 | 0 | 0 | 113.1 | L169 | L167-L169 VanDerWaalsContact C-N 3.29Å; L167-L169 PolarHBondContact O-N 2.87Å; L167-L169 VanDerWaalsContact O-N 3.16Å | ||
| 168 | G | 51.4 | Low | 55.6 | Low | 75 Ų | 75 | 141.7 Ų | 141.7 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -85.2 | 62.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 169 | L | 54.2 | Low | 56.1 | Low | 179 Ų | 179 | 141 Ų | 141 | 94% | 0.937 | 82% | 0.815 | S | S | * | * | trans | -84.2 | 105.8 | 164 | -119.4 | 86.3 | 0 | 0 | 0 | 107.9 | L167 | L167-L169 VanDerWaalsContact C-N 3.29Å; L167-L169 PolarHBondContact O-N 2.87Å; L167-L169 VanDerWaalsContact O-N 3.16Å | ||
| 170 | G | 44.8 | Very low | 56.9 | Low | 82 Ų | 82 | 136.2 Ų | 136.2 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | 109.6 | 126.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 171 | G | 50.8 | Low | 57.6 | Low | 63 Ų | 63 | 143.3 Ų | 143.3 | 65% | 0.649 | 84% | 0.835 | S | S | * | * | trans | 129.8 | 71.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 172 | T | 52.8 | Low | 57.7 | Low | 139 Ų | 139 | 140.5 Ų | 140.5 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | 60.6 | 141.4 | 92.9 | 64.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 173 | D | 54.5 | Low | 57.9 | Low | 153 Ų | 153 | 141.2 Ų | 141.2 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | 90.5 | 92.7 | 171 | -117.2 | -118.9 | 0 | 0 | 0 | 115 | ||||
| 174 | A | 54.4 | Low | 58.2 | Low | 87 Ų | 87 | 143 Ų | 143 | 72% | 0.719 | 83% | 0.831 | S | S | * | * | 71.9 | 79.4 | 73.1 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 175 | E | 62.5 | Low | 57.8 | Low | 174 Ų | 174 | 145.2 Ų | 145.2 | 81% | 0.813 | 84% | 0.836 | S | S | * | * | trans | -145.1 | 103.1 | 153 | -139.1 | -167.3 | 117.1 | 0 | 0 | 111.7 | ||||
| 176 | R | 54.7 | Low | 57.6 | Low | 219 Ų | 219 | 147.3 Ų | 147.3 | 83% | 0.826 | 84% | 0.839 | S | S | * | * | trans | 30.6 | 111.2 | 132.5 | -56.7 | 173.1 | 173 | -118.7 | -2.9 | 117.5 | ||||
| 177 | L | 68.6 | Low | 56.9 | Low | 179 Ų | 179 | 143.6 Ų | 143.6 | 94% | 0.937 | 84% | 0.844 | S | S | * | * | trans | -137.4 | 120.9 | 134.6 | -73.9 | 178.2 | 0 | 0 | 0 | 109.8 | ||||
| 178 | N | 56.6 | Low | 56.9 | Low | 162 Ų | 162 | 144.1 Ų | 144.1 | 87% | 0.866 | 85% | 0.853 | S | S | * | * | trans | -53.7 | 134.9 | 177.6 | -81.6 | -58.3 | 0 | 0 | 0 | 112.6 | ||||
| 179 | I | 65 | Low | 57.3 | Low | 168 Ų | 168 | 149.4 Ų | 149.4 | 86% | 0.862 | 86% | 0.859 | S | S | * | * | trans | -116.2 | 107.9 | 152.8 | -67.2 | 167.6 | 0 | 0 | 0 | 105.4 | ||||
| 180 | A | 64.9 | Low | 57.6 | Low | 92 Ų | 92 | 146.9 Ų | 146.9 | 76% | 0.76 | 85% | 0.853 | S | S | * | * | trans | -80.2 | 146.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 181 | L | 61.4 | Low | 58.7 | Low | 245 Ų | 245 | 152.8 Ų | 152.8 | 100% | 1.283 | 85% | 0.853 | S | S | * | * | trans | -39.2 | 0 | -175.5 | -157.4 | 77.6 | 0 | 0 | 0 | 115.8 |
Retrieved 181 of 181 residues in 77.6 ms
(Link to these results)