| 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 | A | 43.1 | Very low | 49.3 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 100% | 1.347 | 84% | 0.842 | S | S | * | * | 0 | 135.7 | 0 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 2 | G | 42 | Very low | 50.2 | Low | 75 Ų | 75 | 132 Ų | 132 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | 115.2 | 76.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 3 | T | 42.4 | Very low | 50.8 | Low | 145 Ų | 145 | 134.8 Ų | 134.8 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | trans | -93.6 | 125.7 | 160.6 | -24.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 4 | T | 44.9 | Very low | 51.4 | Low | 136 Ų | 136 | 133.9 Ų | 133.9 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | -114.2 | 124.3 | 177.6 | -22.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 5 | I | 49 | Very low | 52.3 | Low | 155 Ų | 155 | 131.3 Ų | 131.3 | 80% | 0.795 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 132.4 | -179.8 | -57.4 | 173.6 | 0 | 0 | 0 | 108.5 | ||
| 6 | P | 47.5 | Very low | 52.9 | Low | 118 Ų | 118 | 129.5 Ų | 129.5 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 137.2 | 174.3 | 32.5 | -29.8 | 0 | 0 | 0 | 112.2 | ||
| 7 | A | 55.7 | Low | 53.3 | Low | 110 Ų | 110 | 124.4 Ų | 124.4 | 91% | 0.909 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 119.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 8 | K | 52.6 | Low | 53.7 | Low | 193 Ų | 193 | 120.9 Ų | 120.9 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | trans | -134 | 70.6 | 179.4 | -165.5 | -176.7 | -176 | -178.4 | 0 | 110.3 | ||||
| 9 | G | 55 | Low | 54 | Low | 58 Ų | 58 | 116.8 Ų | 116.8 | 60% | 0.598 | 71% | 0.711 | S | S | * | * | trans | -148.3 | -13.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 10 | E | 55.1 | Low | 54.2 | Low | 164 Ų | 164 | 120 Ų | 120 | 77% | 0.766 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -96.1 | -33 | -169.4 | -145.7 | 157.8 | 137.5 | 0 | 0 | 113.9 | ||
| 11 | E | 54.7 | Low | 54.4 | Low | 159 Ų | 159 | 119.4 Ų | 119.4 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -72.6 | -33 | -177.9 | -63.3 | -86 | 136.7 | 0 | 0 | 113.2 | T15 | E11-T15 PolarHBondContact O-OG1 3.42Å |
| 12 | D | 59.9 | Low | 55 | Low | 108 Ų | 108 | 115 Ų | 115 | 58% | 0.578 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -75.2 | -29.2 | -178.2 | -75.4 | -28.3 | 0 | 0 | 0 | 112.4 | L16 | D12-L16 PolarHBondContact O-N 3.3Å |
| 13 | F | 58.3 | Low | 55.7 | Low | 168 Ų | 168 | 119.4 Ų | 119.4 | 74% | 0.737 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -75.4 | -39.8 | -176.4 | -145.7 | -91.9 | 0 | 0 | 0 | 112.2 | L16 A17 | F13-L16 PolarHBondContact O-N 3.42Å; F13-A17 WeakPolarHBondContact O-CB 3.43Å; F13-A17 PolarHBondContact O-N 3.36Å |
| 14 | L | 59.6 | Low | 56.2 | Low | 122 Ų | 122 | 119.8 Ų | 119.8 | 64% | 0.639 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66.8 | -38.8 | 177.3 | -69.2 | 173.4 | 0 | 0 | 0 | 111.7 | A17 A18 | L14-A17 PolarHBondContact O-N 3.28Å; L14-A18 WeakPolarHBondContact O-CB 3.36Å; L14-A18 PolarHBondContact O-N 3.42Å |
| 15 | T | 64.7 | Low | 56.7 | Low | 96 Ų | 96 | 120.8 Ų | 120.8 | 59% | 0.589 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67.5 | -40.5 | 178.6 | -49.5 | 0 | 0 | 0 | 0 | 111.5 | E11 S19 | E11-T15 PolarHBondContact O-OG1 3.42Å; T15-S19 PolarHBondContact O-N 3.31Å |
| 16 | L | 61.2 | Low | 57 | Low | 102 Ų | 102 | 123.2 Ų | 123.2 | 53% | 0.534 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.6 | -41.7 | 173.5 | -108.2 | 123.3 | 0 | 0 | 0 | 112.4 | D12 F13 S19 R20 | D12-L16 PolarHBondContact O-N 3.3Å; F13-L16 PolarHBondContact O-N 3.42Å; L16-S19 PolarHBondContact O-N 3.38Å; L16-S19 PolarHBondContact O-OG 2.96Å; L16-R20 PolarHBondContact O-N 2.81Å |
| 17 | A | 60.3 | Low | 57.5 | Low | 43 Ų | 43 | 122.6 Ų | 122.6 | 36% | 0.355 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.1 | -43.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F13 L14 S19 R20 L21 | F13-A17 WeakPolarHBondContact O-CB 3.43Å; F13-A17 PolarHBondContact O-N 3.36Å; L14-A17 PolarHBondContact O-N 3.28Å; A17-S19 VanDerWaalsContact C-N 3.34Å; A17-S19 PolarHBondContact O-N 3.39Å; A17-R20 PolarHBondContact O-N 2.8Å; A17-L21 WeakPolarHBondContact O-CD1 3.25Å; A17-L21 PolarHBondContact O-N 2.93Å |
| 18 | A | 60.6 | Low | 57.6 | Low | 62 Ų | 62 | 122.3 Ų | 122.3 | 51% | 0.512 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -61.6 | -40.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L14 R20 L21 S22 | L14-A18 WeakPolarHBondContact O-CB 3.36Å; L14-A18 PolarHBondContact O-N 3.42Å; A18-R20 VanDerWaalsContact C-N 3.31Å; A18-R20 PolarHBondContact O-N 2.96Å; A18-L21 PolarHBondContact O-N 3.47Å; A18-S22 PolarHBondContact O-N 3.35Å |
| 19 | S | 59.9 | Low | 57.9 | Low | 43 Ų | 43 | 115.3 Ų | 115.3 | 30% | 0.301 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.8 | -30.1 | 177.9 | 85 | 0 | 0 | 0 | 0 | 113.4 | T15 L16 A17 R23 | T15-S19 PolarHBondContact O-N 3.31Å; L16-S19 PolarHBondContact O-N 3.38Å; L16-S19 PolarHBondContact O-OG 2.96Å; A17-S19 VanDerWaalsContact C-N 3.34Å; A17-S19 PolarHBondContact O-N 3.39Å; S19-R23 PolarHBondContact O-N 2.75Å; S19-R23 PolarHBondContact O-NE 2.71Å |
| 20 | R | 58.2 | Low | 58.2 | Low | 180 Ų | 180 | 115.4 Ų | 115.4 | 68% | 0.679 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -77.9 | -38.4 | 176.2 | -72.4 | -165.7 | 179 | -131.3 | 3 | 111.9 | L16 A17 A18 K24 | L16-R20 PolarHBondContact O-N 2.81Å; A17-R20 PolarHBondContact O-N 2.8Å; A18-R20 VanDerWaalsContact C-N 3.31Å; A18-R20 PolarHBondContact O-N 2.96Å; R20-K24 PolarHBondContact O-N 3.11Å; R20-K24 VanDerWaalsContact O-N 3.08Å |
| 21 | L | 57.1 | Low | 58.7 | Low | 108 Ų | 108 | 109.7 Ų | 109.7 | 57% | 0.565 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.8 | -40.3 | 174.3 | -95 | 102.8 | 0 | 0 | 0 | 112.8 | A17 A18 K24 K25 | A17-L21 WeakPolarHBondContact O-CD1 3.25Å; A17-L21 PolarHBondContact O-N 2.93Å; A18-L21 PolarHBondContact O-N 3.47Å; L21-K24 PolarHBondContact O-N 3.02Å; L21-K25 PolarHBondContact O-N 3.02Å |
| 22 | S | 56.1 | Low | 59.5 | Low | 71 Ų | 71 | 106.4 Ų | 106.4 | 50% | 0.497 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.3 | -45.6 | 176.8 | 169.2 | 0 | 0 | 0 | 0 | 112.3 | A18 K24 K25 R26 | A18-S22 PolarHBondContact O-N 3.35Å; S22-K24 VanDerWaalsContact C-N 3.35Å; S22-K24 PolarHBondContact O-N 2.69Å; S22-K25 PolarHBondContact O-N 3.17Å; S22-R26 PolarHBondContact O-N 2.79Å; S22-R26 VanDerWaalsContact O-N 3.07Å |
| 23 | R | 57.1 | Low | 60.1 | Low | 167 Ų | 167 | 103 Ų | 103 | 63% | 0.63 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62 | -40.2 | 174.3 | -89 | -179.4 | -89.5 | -149.9 | -3.7 | 112.4 | S19 R26 V27 | S19-R23 PolarHBondContact O-N 2.75Å; S19-R23 PolarHBondContact O-NE 2.71Å; R23-R26 PolarHBondContact O-N 3.43Å; R23-V27 VanDerWaalsContact O-CG2 3.32Å; R23-V27 WeakPolarHBondContact O-CG2 3.13Å; R23-V27 PolarHBondContact O-N 2.82Å |
| 24 | K | 53.6 | Low | 61.1 | Low | 153 Ų | 153 | 99.2 Ų | 99.2 | 67% | 0.665 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.9 | -41.5 | 176.9 | -130.8 | 173.7 | -177.5 | -177.7 | 0 | 112 | R20 L21 S22 V27 I28 | R20-K24 PolarHBondContact O-N 3.11Å; R20-K24 VanDerWaalsContact O-N 3.08Å; L21-K24 PolarHBondContact O-N 3.02Å; S22-K24 VanDerWaalsContact C-N 3.35Å; S22-K24 PolarHBondContact O-N 2.69Å; K24-V27 PolarHBondContact O-N 3.17Å; K24-I28 WeakPolarHBondContact O-CD1 3.15Å; K24-I28 WeakPolarHBondContact O-CG1 3.45Å; K24-I28 PolarHBondContact O-N 2.94Å |
| 25 | K | 54 | Low | 62 | Low | 156 Ų | 156 | 96 Ų | 96 | 68% | 0.678 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64 | -40.5 | 175.5 | -74.6 | -178.1 | 178.4 | -177.3 | 0 | 112.8 | L21 S22 G29 | L21-K25 PolarHBondContact O-N 3.02Å; S22-K25 PolarHBondContact O-N 3.17Å; K25-G29 PolarHBondContact O-N 3.33Å |
| 26 | R | 56.3 | Low | 62.8 | Low | 207 Ų | 207 | 97.3 Ų | 97.3 | 78% | 0.781 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.1 | -40.5 | 176.8 | -112 | 178.2 | 169.4 | 179.2 | -3.5 | 112.9 | S22 R23 A30 | S22-R26 PolarHBondContact O-N 2.79Å; S22-R26 VanDerWaalsContact O-N 3.07Å; R23-R26 PolarHBondContact O-N 3.43Å; R26-A30 WeakPolarHBondContact O-CB 3.36Å; R26-A30 PolarHBondContact O-N 3.44Å |
| 27 | V | 58.2 | Low | 63.9 | Low | 104 Ų | 104 | 96.4 Ų | 96.4 | 63% | 0.63 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.5 | -38.5 | 177.9 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | R23 K24 G31 | R23-V27 VanDerWaalsContact O-CG2 3.32Å; R23-V27 WeakPolarHBondContact O-CG2 3.13Å; R23-V27 PolarHBondContact O-N 2.82Å; K24-V27 PolarHBondContact O-N 3.17Å; V27-G31 PolarHBondContact O-N 2.88Å |
| 28 | I | 57.3 | Low | 65.2 | Low | 105 Ų | 105 | 99.2 Ų | 99.2 | 54% | 0.538 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.3 | -42.7 | 176.4 | -64.4 | 164.2 | 0 | 0 | 0 | 110.8 | K24 A30 G31 V32 | K24-I28 WeakPolarHBondContact O-CD1 3.15Å; K24-I28 WeakPolarHBondContact O-CG1 3.45Å; K24-I28 PolarHBondContact O-N 2.94Å; I28-A30 PolarHBondContact O-N 3.46Å; I28-G31 PolarHBondContact O-N 3.04Å; I28-V32 HydrophobicContact CG2-CG2 4.49Å; I28-V32 WeakPolarHBondContact O-CG2 3.48Å; I28-V32 PolarHBondContact O-N 2.9Å |
| 29 | G | 58.7 | Low | 66.6 | Low | 46 Ų | 46 | 100.7 Ų | 100.7 | 47% | 0.474 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K25 G33 | K25-G29 PolarHBondContact O-N 3.33Å; G29-G33 PolarHBondContact O-N 2.77Å; G29-G33 VanDerWaalsContact O-N 3.12Å |
| 30 | A | 60.6 | Low | 67.8 | Low | 60 Ų | 60 | 103 Ų | 103 | 50% | 0.496 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.8 | -40.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R26 I28 G33 V34 | R26-A30 WeakPolarHBondContact O-CB 3.36Å; R26-A30 PolarHBondContact O-N 3.44Å; I28-A30 PolarHBondContact O-N 3.46Å; A30-G33 PolarHBondContact O-N 3.42Å; A30-V34 VanDerWaalsContact O-CG2 3.31Å; A30-V34 WeakPolarHBondContact O-CG2 3.38Å; A30-V34 PolarHBondContact O-N 2.86Å |
| 31 | G | 65.8 | Low | 69.3 | Low | 43 Ų | 43 | 100 Ų | 100 | 44% | 0.443 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.9 | -40.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | V27 I28 A35 | V27-G31 PolarHBondContact O-N 2.88Å; I28-G31 PolarHBondContact O-N 3.04Å; G31-A35 WeakPolarHBondContact O-CB 3.49Å; G31-A35 PolarHBondContact O-N 2.63Å |
| 32 | V | 72.1 | Confident | 70.7 | Confident | 90 Ų | 90 | 99.3 Ų | 99.3 | 55% | 0.545 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.8 | -39.7 | 177.2 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | I28 A35 M36 | I28-V32 HydrophobicContact CG2-CG2 4.49Å; I28-V32 WeakPolarHBondContact O-CG2 3.48Å; I28-V32 PolarHBondContact O-N 2.9Å; V32-A35 PolarHBondContact O-N 2.89Å; V32-M36 WeakPolarHBondContact O-CB 3.31Å; V32-M36 PolarHBondContact O-N 3.19Å |
| 33 | G | 72.8 | Confident | 71.8 | Confident | 36 Ų | 36 | 97.6 Ų | 97.6 | 37% | 0.371 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | G29 A30 M36 V37 | G29-G33 PolarHBondContact O-N 2.77Å; G29-G33 VanDerWaalsContact O-N 3.12Å; A30-G33 PolarHBondContact O-N 3.42Å; G33-M36 PolarHBondContact O-N 3.23Å; G33-V37 WeakPolarHBondContact O-CG2 3.35Å; G33-V37 PolarHBondContact O-N 2.92Å |
| 34 | V | 79.6 | Confident | 72.9 | Confident | 90 Ų | 90 | 94.3 Ų | 94.3 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 177.5 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | A30 V37 L38 | A30-V34 VanDerWaalsContact O-CG2 3.31Å; A30-V34 WeakPolarHBondContact O-CG2 3.38Å; A30-V34 PolarHBondContact O-N 2.86Å; V34-V37 PolarHBondContact O-N 3.25Å; V34-L38 HydrophobicContact CG1-CD1 4.04Å; V34-L38 HydrophobicContact CG1-CG 4.46Å; V34-L38 WeakPolarHBondContact O-CG 3.33Å; V34-L38 PolarHBondContact O-N 3.34Å |
| 35 | A | 77.9 | Confident | 74 | Confident | 53 Ų | 53 | 89.9 Ų | 89.9 | 44% | 0.438 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | G31 V32 L38 V39 | G31-A35 WeakPolarHBondContact O-CB 3.49Å; G31-A35 PolarHBondContact O-N 2.63Å; V32-A35 PolarHBondContact O-N 2.89Å; A35-L38 PolarHBondContact O-N 3.42Å; A35-V39 VanDerWaalsContact O-CG2 3.25Å; A35-V39 WeakPolarHBondContact O-CG2 3.49Å; A35-V39 PolarHBondContact O-N 3.32Å |
| 36 | M | 82.1 | Confident | 75 | Confident | 125 Ų | 125 | 87.5 Ų | 87.5 | 62% | 0.616 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.3 | -43.9 | 175.3 | -94.3 | -101.3 | 147.5 | 0 | 0 | 112.5 | V32 G33 V39 L40 | V32-M36 WeakPolarHBondContact O-CB 3.31Å; V32-M36 PolarHBondContact O-N 3.19Å; G33-M36 PolarHBondContact O-N 3.23Å; M36-V39 PolarHBondContact O-N 3.21Å; M36-L40 WeakPolarHBondContact O-CG 3.41Å; M36-L40 PolarHBondContact O-N 2.85Å |
| 37 | V | 84.4 | Confident | 75.7 | Confident | 83 Ų | 83 | 83 Ų | 83 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 177.2 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | G33 V34 V39 L40 L41 | G33-V37 WeakPolarHBondContact O-CG2 3.35Å; G33-V37 PolarHBondContact O-N 2.92Å; V34-V37 PolarHBondContact O-N 3.25Å; V37-V39 PolarHBondContact O-N 2.83Å; V37-L40 PolarHBondContact O-N 3.34Å; V37-L41 HydrophobicContact CG1-CD1 4.01Å; V37-L41 HydrophobicContact CG1-CG 4.34Å; V37-L41 WeakPolarHBondContact O-CB 3.26Å; V37-L41 VanDerWaalsContact O-CG 3.31Å; V37-L41 WeakPolarHBondContact O-CG 3.43Å; V37-L41 PolarHBondContact O-N 3.22Å |
| 38 | L | 87.8 | Confident | 76.3 | Confident | 102 Ų | 102 | 81.9 Ų | 81.9 | 53% | 0.534 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 176.6 | -71.6 | 173.1 | 0 | 0 | 0 | 112.3 | V34 A35 L41 V42 | V34-L38 HydrophobicContact CG1-CD1 4.04Å; V34-L38 HydrophobicContact CG1-CG 4.46Å; V34-L38 WeakPolarHBondContact O-CG 3.33Å; V34-L38 PolarHBondContact O-N 3.34Å; A35-L38 PolarHBondContact O-N 3.42Å; L38-L41 PolarHBondContact O-N 2.98Å; L38-V42 WeakPolarHBondContact O-CG2 3.1Å; L38-V42 PolarHBondContact O-N 2.61Å |
| 39 | V | 89.6 | Confident | 76.5 | Confident | 93 Ų | 93 | 83.4 Ų | 83.4 | 56% | 0.564 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.2 | -43.7 | 174.4 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | A35 M36 V37 V42 A43 | A35-V39 VanDerWaalsContact O-CG2 3.25Å; A35-V39 WeakPolarHBondContact O-CG2 3.49Å; A35-V39 PolarHBondContact O-N 3.32Å; M36-V39 PolarHBondContact O-N 3.21Å; V37-V39 PolarHBondContact O-N 2.83Å; V39-V42 PolarHBondContact O-N 3.45Å; V39-A43 WeakPolarHBondContact O-CB 3.42Å; V39-A43 PolarHBondContact O-N 2.83Å |
| 40 | L | 85.4 | Confident | 76.3 | Confident | 92 Ų | 92 | 86 Ų | 86 | 48% | 0.482 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 178.1 | -70.7 | 172.1 | 0 | 0 | 0 | 112.4 | M36 V37 V42 A43 I44 | M36-L40 WeakPolarHBondContact O-CG 3.41Å; M36-L40 PolarHBondContact O-N 2.85Å; V37-L40 PolarHBondContact O-N 3.34Å; L40-V42 PolarHBondContact O-N 2.81Å; L40-A43 PolarHBondContact O-N 3.01Å; L40-I44 HydrophobicContact CB-CD1 4.21Å; L40-I44 WeakPolarHBondContact O-CB 3.43Å; L40-I44 WeakPolarHBondContact O-CD1 3.22Å; L40-I44 VanDerWaalsContact O-CG1 3.23Å; L40-I44 WeakPolarHBondContact O-CG1 3.32Å; L40-I44 PolarHBondContact O-N 3.25Å |
| 41 | L | 88.4 | Confident | 75.9 | Confident | 115 Ų | 115 | 88.4 Ų | 88.4 | 60% | 0.602 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.1 | -25.2 | 177.1 | -74 | 175.2 | 0 | 0 | 0 | 113.3 | V37 L38 P45 | V37-L41 HydrophobicContact CG1-CD1 4.01Å; V37-L41 HydrophobicContact CG1-CG 4.34Å; V37-L41 WeakPolarHBondContact O-CB 3.26Å; V37-L41 VanDerWaalsContact O-CG 3.31Å; V37-L41 WeakPolarHBondContact O-CG 3.43Å; V37-L41 PolarHBondContact O-N 3.22Å; L38-L41 PolarHBondContact O-N 2.98Å; L41-P45 WeakPolarHBondContact O-CD 3.4Å; L41-P45 WeakPolarHBondContact O-CG 3.36Å |
| 42 | V | 86.9 | Confident | 75.2 | Confident | 94 Ų | 94 | 95 Ų | 95 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -93.3 | -39.8 | 176 | 178 | 0 | 0 | 0 | 0 | 111.7 | L38 V39 L40 L46 | L38-V42 WeakPolarHBondContact O-CG2 3.1Å; L38-V42 PolarHBondContact O-N 2.61Å; V39-V42 PolarHBondContact O-N 3.45Å; L40-V42 PolarHBondContact O-N 2.81Å; V42-L46 HydrophobicContact CG1-CD1 3.91Å; V42-L46 WeakPolarHBondContact O-CD1 3.45Å; V42-L46 WeakPolarHBondContact O-CG 3.32Å; V42-L46 PolarHBondContact O-N 2.92Å |
| 43 | A | 79.2 | Confident | 74 | Confident | 36 Ų | 36 | 94 Ų | 94 | 30% | 0.298 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71 | -38.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V39 L40 L46 L47 | V39-A43 WeakPolarHBondContact O-CB 3.42Å; V39-A43 PolarHBondContact O-N 2.83Å; L40-A43 PolarHBondContact O-N 3.01Å; A43-L46 PolarHBondContact O-N 2.85Å; A43-L47 WeakPolarHBondContact O-CB 3.29Å; A43-L47 PolarHBondContact O-N 3.29Å |
| 44 | I | 79.6 | Confident | 72.7 | Confident | 97 Ų | 97 | 97.1 Ų | 97.1 | 50% | 0.497 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.2 | -48.7 | -177.6 | -65.3 | 167 | 0 | 0 | 0 | 111.5 | L40 L46 L47 V48 | L40-I44 HydrophobicContact CB-CD1 4.21Å; L40-I44 WeakPolarHBondContact O-CB 3.43Å; L40-I44 WeakPolarHBondContact O-CD1 3.22Å; L40-I44 VanDerWaalsContact O-CG1 3.23Å; L40-I44 WeakPolarHBondContact O-CG1 3.32Å; L40-I44 PolarHBondContact O-N 3.25Å; I44-L46 VanDerWaalsContact C-N 3.31Å; I44-L46 PolarHBondContact O-N 3.09Å; I44-L47 PolarHBondContact O-N 3.21Å; I44-V48 HydrophobicContact CG2-CG2 4.45Å; I44-V48 VanDerWaalsContact O-CG2 3.31Å; I44-V48 WeakPolarHBondContact O-CG2 3.26Å; I44-V48 PolarHBondContact O-N 3.46Å |
| 45 | P | 77.9 | Confident | 70.8 | Confident | 61 Ų | 61 | 96.6 Ų | 96.6 | 40% | 0.396 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.6 | -37 | 174.8 | -24.6 | 35.2 | 0 | 0 | 0 | 113.3 | L41 V48 H49 | L41-P45 WeakPolarHBondContact O-CD 3.4Å; L41-P45 WeakPolarHBondContact O-CG 3.36Å; P45-V48 PolarHBondContact O-N 3.47Å; P45-H49 WeakPolarHBondContact O-CB 3.33Å; P45-H49 PolarHBondContact O-N 2.94Å |
| 46 | L | 75.1 | Confident | 69 | Low | 105 Ų | 105 | 100.6 Ų | 100.6 | 55% | 0.55 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.1 | -42.7 | 176 | -77.1 | 168.8 | 0 | 0 | 0 | 111.7 | V42 A43 I44 H49 T50 | V42-L46 HydrophobicContact CG1-CD1 3.91Å; V42-L46 WeakPolarHBondContact O-CD1 3.45Å; V42-L46 WeakPolarHBondContact O-CG 3.32Å; V42-L46 PolarHBondContact O-N 2.92Å; A43-L46 PolarHBondContact O-N 2.85Å; I44-L46 VanDerWaalsContact C-N 3.31Å; I44-L46 PolarHBondContact O-N 3.09Å; L46-H49 PolarHBondContact O-N 2.86Å; L46-T50 VanDerWaalsContact O-CG2 3.22Å; L46-T50 WeakPolarHBondContact O-CG2 3.42Å; L46-T50 PolarHBondContact O-N 2.95Å; L46-T50 PolarHBondContact O-OG1 2.83Å |
| 47 | L | 70.5 | Confident | 66.9 | Low | 114 Ų | 114 | 98.1 Ų | 98.1 | 60% | 0.597 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.7 | -36.2 | 174.3 | -87.8 | 152.8 | 0 | 0 | 0 | 112.9 | A43 I44 T50 T51 | A43-L47 WeakPolarHBondContact O-CB 3.29Å; A43-L47 PolarHBondContact O-N 3.29Å; I44-L47 PolarHBondContact O-N 3.21Å; L47-T50 PolarHBondContact O-OG1 3.32Å; L47-T50 VanDerWaalsContact O-OG1 3.1Å; L47-T51 WeakPolarHBondContact O-CG2 3.22Å; L47-T51 PolarHBondContact O-N 3.43Å; L47-T51 PolarHBondContact O-OG1 3.11Å |
| 48 | V | 71.7 | Confident | 64.7 | Low | 80 Ų | 80 | 98.2 Ų | 98.2 | 49% | 0.485 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -72.5 | -30 | 176 | 173.9 | 0 | 0 | 0 | 0 | 111.8 | I44 P45 T51 | I44-V48 HydrophobicContact CG2-CG2 4.45Å; I44-V48 VanDerWaalsContact O-CG2 3.31Å; I44-V48 WeakPolarHBondContact O-CG2 3.26Å; I44-V48 PolarHBondContact O-N 3.46Å; P45-V48 PolarHBondContact O-N 3.47Å; V48-T51 PolarHBondContact O-OG1 2.84Å |
| 49 | H | 60.3 | Low | 62.5 | Low | 136 Ų | 136 | 97.2 Ų | 97.2 | 63% | 0.63 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -82.5 | -31.7 | 176.4 | -71.5 | 174.9 | 0 | 0 | 0 | 113.2 | P45 L46 T51 K52 | P45-H49 WeakPolarHBondContact O-CB 3.33Å; P45-H49 PolarHBondContact O-N 2.94Å; L46-H49 PolarHBondContact O-N 2.86Å; H49-T51 VanDerWaalsContact C-N 3.29Å; H49-T51 PolarHBondContact O-N 3.16Å; H49-K52 PolarHBondContact O-N 2.84Å |
| 50 | T | 54.9 | Low | 60.3 | Low | 100 Ų | 100 | 96.5 Ų | 96.5 | 61% | 0.613 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69.6 | -27.1 | 176.3 | 56.1 | 0 | 0 | 0 | 0 | 112.6 | L46 L47 K52 G53 | L46-T50 VanDerWaalsContact O-CG2 3.22Å; L46-T50 WeakPolarHBondContact O-CG2 3.42Å; L46-T50 PolarHBondContact O-N 2.95Å; L46-T50 PolarHBondContact O-OG1 2.83Å; L47-T50 PolarHBondContact O-OG1 3.32Å; L47-T50 VanDerWaalsContact O-OG1 3.1Å; T50-K52 VanDerWaalsContact C-N 3.26Å; T50-K52 PolarHBondContact O-N 2.61Å; T50-G53 PolarHBondContact O-N 3.23Å |
| 51 | T | 52.9 | Low | 58 | Low | 112 Ų | 112 | 98.2 Ų | 98.2 | 69% | 0.687 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -11.6 | 174.4 | 50.8 | 0 | 0 | 0 | 0 | 113.9 | L47 V48 H49 | L47-T51 WeakPolarHBondContact O-CG2 3.22Å; L47-T51 PolarHBondContact O-N 3.43Å; L47-T51 PolarHBondContact O-OG1 3.11Å; V48-T51 PolarHBondContact O-OG1 2.84Å; H49-T51 VanDerWaalsContact C-N 3.29Å; H49-T51 PolarHBondContact O-N 3.16Å |
| 52 | K | 50.5 | Low | 55.4 | Low | 181 Ų | 181 | 99.6 Ų | 99.6 | 79% | 0.787 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 4.7 | 175.1 | -97.5 | -179.8 | 174.2 | 174.3 | 0 | 114.5 | H49 T50 | H49-K52 PolarHBondContact O-N 2.84Å; T50-K52 VanDerWaalsContact C-N 3.26Å; T50-K52 PolarHBondContact O-N 2.61Å |
| 53 | G | 45.9 | Very low | 53 | Low | 69 Ų | 69 | 105.1 Ų | 105.1 | 71% | 0.711 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -92.1 | 14.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 117 | T50 | T50-G53 PolarHBondContact O-N 3.23Š|
| 54 | A | 47.4 | Very low | 51.2 | Low | 102 Ų | 102 | 109.7 Ų | 109.7 | 84% | 0.843 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -144.5 | 89.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 55 | G | 38.8 | Very low | 49.5 | Very low | 78 Ų | 78 | 114 Ų | 114 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | trans | 161.4 | 74.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 56 | S | 40.4 | Very low | 48.1 | Very low | 137 Ų | 137 | 118.6 Ų | 118.6 | 96% | 0.958 | 74% | 0.742 | S | S | * | * | trans | -65.3 | 131.6 | 162 | 173.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 57 | G | 37.8 | Very low | 46.6 | Very low | 74 Ų | 74 | 116.8 Ų | 116.8 | 76% | 0.763 | 75% | 0.749 | S | S | * | * | trans | 152.4 | 118.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 58 | G | 38.4 | Very low | 45.6 | Very low | 84 Ų | 84 | 116.8 Ų | 116.8 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | trans | -79.9 | 170.3 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 59 | G | 40.1 | Very low | 44.3 | Very low | 81 Ų | 81 | 119.7 Ų | 119.7 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 95.8 | 100.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 60 | G | 43.6 | Very low | 43.6 | Very low | 78 Ų | 78 | 122.3 Ų | 122.3 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | 47.1 | 95.1 | 146.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | H62 | G60-H62 PolarHBondContact O-N 3.08Å; G60-H62 VanDerWaalsContact O-N 3.17Å | ||
| 61 | T | 37.2 | Very low | 43.4 | Very low | 128 Ų | 128 | 125.8 Ų | 125.8 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -83 | 93.4 | 165.6 | 53.4 | 0 | 0 | 0 | 0 | 110.3 | Y63 | T61-Y63 PolarHBondContact O-N 2.83Š| ||
| 62 | H | 35.2 | Very low | 42.9 | Very low | 144 Ų | 144 | 126 Ų | 126 | 67% | 0.667 | 80% | 0.802 | S | S | * | * | trans | -60.9 | 115.4 | 151.9 | -174 | -111.3 | 0 | 0 | 0 | 108 | G60 E64 | G60-H62 PolarHBondContact O-N 3.08Å; G60-H62 VanDerWaalsContact O-N 3.17Å; H62-E64 IonicContact CE1-OE1 3.29Å; H62-E64 PolarHBondContact CE1-OE1 2.69Å; H62-E64 VanDerWaalsContact CE1-OE1 3.29Å; H62-E64 IonicContact ND1-OE1 3.61Å; H62-E64 PolarHBondContact O-N 3.11Å | ||
| 63 | Y | 36.7 | Very low | 42.5 | Very low | 210 Ų | 210 | 122.6 Ų | 122.6 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -81.4 | 90.8 | 168.8 | 12 | -92.3 | 0 | 0 | 0 | 107.4 | T61 M65 | T61-Y63 PolarHBondContact O-N 2.83Å; Y63-M65 PolarHBondContact O-N 3.16Å | ||
| 64 | E | 40.3 | Very low | 42 | Very low | 132 Ų | 132 | 126.3 Ų | 126.3 | 62% | 0.617 | 80% | 0.803 | S | S | * | * | trans | -80.7 | 112.4 | 172.9 | -143.3 | 163.3 | -135.1 | 0 | 0 | 108.2 | H62 L66 | H62-E64 IonicContact CE1-OE1 3.29Å; H62-E64 PolarHBondContact CE1-OE1 2.69Å; H62-E64 VanDerWaalsContact CE1-OE1 3.29Å; H62-E64 IonicContact ND1-OE1 3.61Å; H62-E64 PolarHBondContact O-N 3.11Å; E64-L66 VanDerWaalsContact C-N 3.29Å; E64-L66 PolarHBondContact O-N 3.4Å | ||
| 65 | M | 44.5 | Very low | 41.5 | Very low | 188 Ų | 188 | 128 Ų | 128 | 93% | 0.926 | 80% | 0.803 | S | S | * | * | trans | -65.9 | 87.5 | 171.8 | -69.5 | -90.9 | -80.3 | 0 | 0 | 108.8 | Y63 G67 | Y63-M65 PolarHBondContact O-N 3.16Å; M65-G67 VanDerWaalsContact C-N 3.33Å; M65-G67 PolarHBondContact O-N 3.06Å | ||
| 66 | L | 48.9 | Very low | 41.6 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | trans | -81.3 | 84.6 | 172 | -78.1 | 166.4 | 0 | 0 | 0 | 109.9 | E64 | E64-L66 VanDerWaalsContact C-N 3.29Å; E64-L66 PolarHBondContact O-N 3.4Å | ||
| 67 | G | 42.4 | Very low | 41.4 | Very low | 67 Ų | 67 | 131.5 Ų | 131.5 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | trans | -152 | 65.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110 | M65 C69 | M65-G67 VanDerWaalsContact C-N 3.33Å; M65-G67 PolarHBondContact O-N 3.06Å; G67-C69 PolarHBondContact O-N 2.84Å; G67-C69 VanDerWaalsContact O-N 3.14Å | ||
| 68 | S | 49 | Very low | 41.6 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -72.3 | 102.2 | 169.9 | 34.3 | 0 | 0 | 0 | 0 | 109.1 | K70 | S68-K70 PolarHBondContact O-N 3.04Å; S68-K70 VanDerWaalsContact O-N 3.13Å | ||
| 69 | C | 44.7 | Very low | 41.8 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 95% | 0.953 | 80% | 0.8 | S | S | * | * | trans | -62.1 | 111.7 | 169.4 | -113.9 | 0 | 0 | 0 | 0 | 108.9 | G67 | G67-C69 PolarHBondContact O-N 2.84Å; G67-C69 VanDerWaalsContact O-N 3.14Å | ||
| 70 | K | 47 | Very low | 41.6 | Very low | 191 Ų | 191 | 141.6 Ų | 141.6 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | trans | -112.5 | 116.3 | 173.1 | -156.4 | 178.4 | -175.7 | -177.9 | 0 | 108.5 | S68 V72 | S68-K70 PolarHBondContact O-N 3.04Å; S68-K70 VanDerWaalsContact O-N 3.13Å; K70-V72 PolarHBondContact O-N 2.74Å | ||
| 71 | M | 49.1 | Very low | 41.2 | Very low | 172 Ų | 172 | 141.5 Ų | 141.5 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | trans | -63.1 | 116 | 170.8 | -66.6 | -72.9 | -75.9 | 0 | 0 | 108.3 | C73 | M71-C73 PolarHBondContact O-N 3.26Š| ||
| 72 | V | 44 | Very low | 41 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 72% | 0.715 | 81% | 0.807 | S | S | * | * | trans | -83.8 | 101 | 170.4 | -178.8 | 0 | 0 | 0 | 0 | 107.1 | K70 | K70-V72 PolarHBondContact O-N 2.74Š| ||
| 73 | C | 41.5 | Very low | 41.1 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | -107.8 | 101.1 | 159.8 | -66.5 | 0 | 0 | 0 | 0 | 107.1 | M71 T75 | M71-C73 PolarHBondContact O-N 3.26Å; C73-T75 PolarHBondContact O-N 3.35Å | ||
| 74 | D | 36 | Very low | 40.9 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 78% | 0.781 | 81% | 0.812 | S | S | * | * | trans | -66.4 | 119.3 | 168.9 | -74.7 | -32.3 | 0 | 0 | 0 | 109.5 | ||||
| 75 | T | 36.8 | Very low | 40.7 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 84% | 0.84 | 82% | 0.823 | S | S | * | * | trans | -133.7 | 115.8 | 148 | 41.3 | 0 | 0 | 0 | 0 | 108.8 | C73 S77 | C73-T75 PolarHBondContact O-N 3.35Å; T75-S77 PolarHBondContact O-N 3.22Å | ||
| 76 | L | 40.5 | Very low | 40.3 | Very low | 173 Ų | 173 | 136.6 Ų | 136.6 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | trans | -60.9 | 120.9 | 169.7 | -77.3 | 140.5 | 0 | 0 | 0 | 110.2 | ||||
| 77 | S | 35.5 | Very low | 39.6 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -162.4 | 137.8 | 150.7 | -77.7 | 0 | 0 | 0 | 0 | 110.6 | T75 | T75-S77 PolarHBondContact O-N 3.22Š| ||
| 78 | P | 41.5 | Very low | 39.5 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | trans | -88.4 | 172.1 | -168.2 | 37 | -36.1 | 0 | 0 | 0 | 113.9 | ||||
| 79 | P | 43.8 | Very low | 39.1 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 80% | 0.799 | 82% | 0.824 | S | S | * | * | trans | -96.5 | 135.6 | -157.8 | 36.2 | -30.7 | 0 | 0 | 0 | 113.7 | ||||
| 80 | Q | 35 | Very low | 39 | Very low | 202 Ų | 202 | 139.1 Ų | 139.1 | 94% | 0.944 | 82% | 0.815 | S | S | * | * | trans | -155.3 | 135.8 | 159.5 | -62.9 | -173.4 | -14.1 | 0 | 0 | 106.2 | ||||
| 81 | G | 36 | Very low | 38.9 | Very low | 77 Ų | 77 | 135.7 Ų | 135.7 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | cis | -178.2 | 147 | -0.9 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 82 | E | 31.9 | Very low | 38.3 | Very low | 176 Ų | 176 | 135.4 Ų | 135.4 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | -75.1 | 143.9 | 179 | -120.1 | -176 | 129.8 | 0 | 0 | 112.3 | ||||
| 83 | L | 38.3 | Very low | 38.1 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 73% | 0.728 | 82% | 0.822 | S | S | * | * | trans | 69.1 | 125 | 150.1 | -58.4 | 164.1 | 0 | 0 | 0 | 119.7 | ||||
| 84 | T | 32.4 | Very low | 38.2 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | -168.6 | 131.3 | 109.5 | 25.5 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 85 | A | 35.8 | Very low | 38.2 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | trans | -84.8 | 134.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 86 | V | 36 | Very low | 38.6 | Very low | 140 Ų | 140 | 146.2 Ų | 146.2 | 85% | 0.848 | 84% | 0.835 | S | S | * | * | trans | -94.1 | 133.8 | 176.9 | 172.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 87 | S | 35.1 | Very low | 38.8 | Very low | 110 Ų | 110 | 150.1 Ų | 150.1 | 77% | 0.769 | 84% | 0.837 | S | S | * | * | trans | -134.1 | 138.7 | 162.3 | -163.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 88 | P | 40.4 | Very low | 39.1 | Very low | 115 Ų | 115 | 148.1 Ų | 148.1 | 75% | 0.747 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -94 | 147.2 | -172.9 | 31.6 | -26.2 | 0 | 0 | 0 | 114.1 | ||
| 89 | Q | 40.3 | Very low | 39.6 | Very low | 191 Ų | 191 | 152.4 Ų | 152.4 | 89% | 0.893 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 148.8 | 170.6 | -73.2 | -171.5 | -24.9 | 0 | 0 | 112.4 | ||
| 90 | P | 42.6 | Very low | 39.9 | Very low | 117 Ų | 117 | 156 Ų | 156 | 76% | 0.76 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 160.5 | 172.2 | 35.6 | -32.2 | 0 | 0 | 0 | 113.1 | ||
| 91 | P | 43.5 | Very low | 40.9 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 77% | 0.766 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 147.7 | -170.8 | 34.7 | -31.4 | 0 | 0 | 0 | 115 | ||
| 92 | D | 36.6 | Very low | 42 | Very low | 166 Ų | 166 | 156.8 Ų | 156.8 | 89% | 0.888 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 142.5 | 175.3 | -75.2 | -45.6 | 0 | 0 | 0 | 113.7 | ||
| 93 | F | 40.4 | Very low | 43.6 | Very low | 203 Ų | 203 | 160 Ų | 160 | 89% | 0.89 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 132.9 | 170.4 | -73.7 | -86 | 0 | 0 | 0 | 111.5 | ||
| 94 | P | 43.7 | Very low | 44.8 | Very low | 126 Ų | 126 | 156.5 Ų | 156.5 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -100.6 | 153.2 | 170.6 | 32.7 | -24.9 | 0 | 0 | 0 | 114.3 | ||
| 95 | N | 35.2 | Very low | 46.4 | Very low | 169 Ų | 169 | 155.2 Ų | 155.2 | 90% | 0.904 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 152.8 | -174.7 | -136.2 | -17.3 | 0 | 0 | 0 | 113.5 | ||
| 96 | R | 45.9 | Very low | 48.2 | Very low | 240 Ų | 240 | 156.1 Ų | 156.1 | 91% | 0.906 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 142.3 | 177.6 | -68.8 | -169.5 | -170.5 | -142.2 | 5.4 | 113.1 | ||
| 97 | R | 43.8 | Very low | 49.5 | Very low | 254 Ų | 254 | 152.7 Ų | 152.7 | 96% | 0.958 | 83% | 0.834 | S | S | * | * | trans | -158.9 | 126.8 | 134.7 | -105 | 174.7 | -156.8 | -166.1 | 5.3 | 110.6 | ||||
| 98 | G | 43 | Very low | 51.4 | Low | 75 Ų | 75 | 155.4 Ų | 155.4 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | trans | -90.8 | -174 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 99 | K | 51.3 | Low | 53.3 | Low | 215 Ų | 215 | 155.8 Ų | 155.8 | 94% | 0.935 | 84% | 0.842 | S | S | * | * | cis | -145.6 | 135.8 | -0.9 | -72.6 | 177.5 | 174.9 | 177 | 0 | 106.3 | ||||
| 100 | Q | 51.2 | Low | 54.8 | Low | 199 Ų | 199 | 149.6 Ų | 149.6 | 93% | 0.93 | 83% | 0.828 | S | S | * | * | trans | -115.1 | 140.8 | 163.7 | -159.1 | 171.5 | 15.1 | 0 | 0 | 108.5 | ||||
| 101 | G | 55.8 | Low | 56.5 | Low | 67 Ų | 67 | 149.8 Ų | 149.8 | 69% | 0.691 | 83% | 0.83 | S | S | * | * | trans | -58.6 | 163.2 | -161.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | R103 | G101-R103 PolarHBondContact O-N 3.48Š| ||
| 102 | F | 59.8 | Low | 58.3 | Low | 229 Ų | 229 | 150.2 Ų | 150.2 | 100% | 1.004 | 83% | 0.833 | S | S | * | * | trans | -59.7 | 102.6 | -177.8 | -67 | -81 | 0 | 0 | 0 | 111.4 | ||||
| 103 | R | 64.9 | Low | 60.2 | Low | 243 Ų | 243 | 145.3 Ų | 145.3 | 92% | 0.917 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -76 | 130.4 | 165.1 | -151.5 | 176.5 | -161.7 | -178.1 | 4.2 | 107.3 | G101 | G101-R103 PolarHBondContact O-N 3.48Š|
| 104 | G | 62.4 | Low | 62.1 | Low | 65 Ų | 65 | 141.9 Ų | 141.9 | 67% | 0.67 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 147.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 105 | S | 66.7 | Low | 64 | Low | 113 Ų | 113 | 145.7 Ų | 145.7 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 125.2 | -179.1 | 48.6 | 0 | 0 | 0 | 0 | 110 | G107 | S105-G107 PolarHBondContact O-N 3.18Š|
| 106 | P | 73.1 | Confident | 66 | Low | 124 Ų | 124 | 140 Ų | 140 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 135.8 | 173.2 | -26.1 | 34.4 | 0 | 0 | 0 | 110 | ||
| 107 | G | 64.4 | Low | 67.9 | Low | 68 Ų | 68 | 134.2 Ų | 134.2 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 150.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S105 | S105-G107 PolarHBondContact O-N 3.18Š|
| 108 | L | 74.8 | Confident | 69.8 | Low | 167 Ų | 167 | 128.2 Ų | 128.2 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 131.2 | 179.5 | -70.2 | 169.5 | 0 | 0 | 0 | 109.7 | G110 | L108-G110 PolarHBondContact O-N 3.24Š|
| 109 | P | 79.6 | Confident | 71.5 | Confident | 123 Ų | 123 | 128 Ų | 128 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -51 | 132.4 | 174.2 | -26.3 | 34.1 | 0 | 0 | 0 | 109.8 | ||
| 110 | G | 71.8 | Confident | 73.1 | Confident | 60 Ų | 60 | 126.6 Ų | 126.6 | 62% | 0.619 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 151.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L108 | L108-G110 PolarHBondContact O-N 3.24Š|
| 111 | P | 78 | Confident | 74.8 | Confident | 121 Ų | 121 | 123.1 Ų | 123.1 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 142 | 176.7 | 23.6 | -32.6 | 0 | 0 | 0 | 109.9 | G113 | P111-G113 PolarHBondContact O-N 3.03Š|
| 112 | P | 82.6 | Confident | 75.9 | Confident | 128 Ų | 128 | 123.2 Ų | 123.2 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 133.6 | 174.7 | -26.4 | 34.1 | 0 | 0 | 0 | 110.4 | ||
| 113 | G | 75.8 | Confident | 77.2 | Confident | 62 Ų | 62 | 121.9 Ų | 121.9 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 154.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | P111 K115 | P111-G113 PolarHBondContact O-N 3.03Å; G113-K115 PolarHBondContact O-N 3.15Å |
| 114 | P | 81.2 | Confident | 78.3 | Confident | 131 Ų | 131 | 116.3 Ų | 116.3 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 139.8 | 177.4 | 24.9 | -33.1 | 0 | 0 | 0 | 110.1 | G116 | P114-G116 PolarHBondContact O-N 3.03Š|
| 115 | K | 82.6 | Confident | 79 | Confident | 206 Ų | 206 | 116.1 Ų | 116.1 | 90% | 0.896 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 130.4 | 174.8 | -172.5 | 178.3 | 178.7 | 179.5 | 0 | 108.6 | G113 | G113-K115 PolarHBondContact O-N 3.15Š|
| 116 | G | 77.8 | Confident | 79.9 | Confident | 49 Ų | 49 | 116.4 Ų | 116.4 | 51% | 0.505 | 77% | 0.768 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 157.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P114 | P114-G116 PolarHBondContact O-N 3.03Š|
| 117 | P | 84.8 | Confident | 80.5 | Confident | 120 Ų | 120 | 116.6 Ų | 116.6 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 149.1 | 178 | 25.4 | -33.2 | 0 | 0 | 0 | 110.7 | G119 | P117-G119 PolarHBondContact O-N 2.79Š|
| 118 | P | 84.9 | Confident | 80.9 | Confident | 127 Ų | 127 | 116.2 Ų | 116.2 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 137 | 171.1 | -24.5 | 34 | 0 | 0 | 0 | 110.7 | ||
| 119 | G | 78.4 | Confident | 81.1 | Confident | 71 Ų | 71 | 114.5 Ų | 114.5 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 150.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | P117 | P117-G119 PolarHBondContact O-N 2.79Š|
| 120 | E | 84.9 | Confident | 81 | Confident | 186 Ų | 186 | 118 Ų | 118 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 142.6 | 178.1 | -66 | -171.9 | 161.8 | 0 | 0 | 110.8 | G122 | E120-G122 PolarHBondContact O-N 2.93Š|
| 121 | P | 87.1 | Confident | 80.6 | Confident | 125 Ų | 125 | 117.5 Ų | 117.5 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 137.7 | 173.7 | -25.9 | 34.5 | 0 | 0 | 0 | 111.4 | ||
| 122 | G | 78.9 | Confident | 80.1 | Confident | 69 Ų | 69 | 117.2 Ų | 117.2 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 148.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E120 | E120-G122 PolarHBondContact O-N 2.93Š|
| 123 | K | 86.8 | Confident | 79.3 | Confident | 201 Ų | 201 | 113.2 Ų | 113.2 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 143.8 | 176.3 | -65.2 | -177.6 | -178.2 | -179.9 | 0 | 109.9 | G125 | K123-G125 PolarHBondContact O-N 2.98Š|
| 124 | P | 87.9 | Confident | 78.4 | Confident | 126 Ų | 126 | 117.7 Ų | 117.7 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 141.6 | 172.8 | -26.4 | 34.5 | 0 | 0 | 0 | 111.2 | ||
| 125 | G | 76.8 | Confident | 77.2 | Confident | 62 Ų | 62 | 114.9 Ų | 114.9 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 158 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K123 | K123-G125 PolarHBondContact O-N 2.98Š|
| 126 | P | 85.4 | Confident | 75.5 | Confident | 119 Ų | 119 | 107.1 Ų | 107.1 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 147.9 | 174.2 | 25.7 | -33.2 | 0 | 0 | 0 | 110.2 | G128 | P126-G128 PolarHBondContact O-N 2.96Š|
| 127 | P | 85.7 | Confident | 74.4 | Confident | 127 Ų | 127 | 115.6 Ų | 115.6 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 137 | 171.9 | -25.5 | 34.3 | 0 | 0 | 0 | 110.6 | ||
| 128 | G | 73.3 | Confident | 72.9 | Confident | 60 Ų | 60 | 112.8 Ų | 112.8 | 62% | 0.619 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 158.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | P126 Q130 | P126-G128 PolarHBondContact O-N 2.96Å; G128-Q130 PolarHBondContact O-N 2.93Å |
| 129 | P | 78.1 | Confident | 71.3 | Confident | 131 Ų | 131 | 111.7 Ų | 111.7 | 85% | 0.851 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 139.1 | 175.2 | 21.9 | -31.5 | 0 | 0 | 0 | 109.9 | G131 | P129-G131 PolarHBondContact O-N 2.98Å; P129-G131 VanDerWaalsContact O-N 3.11Å |
| 130 | Q | 78.8 | Confident | 70.3 | Confident | 196 Ų | 196 | 113.3 Ų | 113.3 | 92% | 0.916 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 121.3 | 178.2 | -168.1 | 170.9 | 32.2 | 0 | 0 | 108.4 | G128 | G128-Q130 PolarHBondContact O-N 2.93Š|
| 131 | G | 63.7 | Low | 69.3 | Low | 50 Ų | 50 | 110.2 Ų | 110.2 | 52% | 0.515 | 74% | 0.736 | S | S | . | * | P | Polyproline II helix | trans | -57.5 | 157.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | P129 G133 | P129-G131 PolarHBondContact O-N 2.98Å; P129-G131 VanDerWaalsContact O-N 3.11Å; G131-G133 PolarHBondContact O-N 3.29Å |
| 132 | P | 66.9 | Low | 68.6 | Low | 116 Ų | 116 | 113.4 Ų | 113.4 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -52 | 117.3 | 175.5 | -19 | 29.6 | 0 | 0 | 0 | 108.1 | ||
| 133 | G | 65 | Low | 68.9 | Low | 44 Ų | 44 | 114.7 Ų | 114.7 | 45% | 0.454 | 73% | 0.728 | S | S | . | * | trans | -62.2 | -177.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G131 G135 G136 | G131-G133 PolarHBondContact O-N 3.29Å; G133-G135 PolarHBondContact O-N 3.31Å; G133-G136 PolarHBondContact O-N 3.41Å | ||
| 134 | P | 57.9 | Low | 69.1 | Low | 156 Ų | 156 | 106.4 Ų | 106.4 | 100% | 1.013 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | 7 | -178.8 | -18.5 | 31.4 | 0 | 0 | 0 | 115.8 | ||
| 135 | G | 54.8 | Low | 69.5 | Low | 72 Ų | 72 | 107.9 Ų | 107.9 | 74% | 0.742 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126 | 14.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G133 Y137 | G133-G135 PolarHBondContact O-N 3.31Å; G135-Y137 VanDerWaalsContact C-N 3.26Å; G135-Y137 PolarHBondContact O-N 2.92Å |
| 136 | G | 47.8 | Very low | 70.5 | Confident | 42 Ų | 42 | 105.7 Ų | 105.7 | 43% | 0.433 | 66% | 0.661 | S | S | . | * | trans | -83.4 | 14.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | G133 G138 | G133-G136 PolarHBondContact O-N 3.41Å; G136-G138 PolarHBondContact O-N 2.94Å | ||
| 137 | Y | 54.3 | Low | 71.1 | Confident | 227 Ų | 227 | 101.5 Ų | 101.5 | 89% | 0.89 | 64% | 0.637 | S | S | * | * | trans | -72.6 | 75.7 | 151.5 | -72.8 | -86.7 | 0 | 0 | 0 | 106.4 | G135 S139 | G135-Y137 VanDerWaalsContact C-N 3.26Å; G135-Y137 PolarHBondContact O-N 2.92Å; Y137-S139 PolarHBondContact O-N 2.91Å | ||
| 138 | G | 53.6 | Low | 71.7 | Confident | 61 Ų | 61 | 95.8 Ų | 95.8 | 63% | 0.629 | 60% | 0.599 | S | S | * | * | trans | -48 | 120.8 | 152.4 | 0 | 0 | 0 | 0 | 0 | 104.8 | G136 S140 | G136-G138 PolarHBondContact O-N 2.94Å; G138-S140 VanDerWaalsContact C-N 3.33Å; G138-S140 PolarHBondContact O-N 2.85Å | ||
| 139 | S | 51.8 | Low | 73 | Confident | 105 Ų | 105 | 96.2 Ų | 96.2 | 73% | 0.734 | 58% | 0.583 | S | S | * | * | trans | -41.8 | 108.2 | 174.5 | -175.8 | 0 | 0 | 0 | 0 | 105.3 | Y137 V141 | Y137-S139 PolarHBondContact O-N 2.91Å; S139-V141 PolarHBondContact O-N 2.8Å | ||
| 140 | S | 56.2 | Low | 73.9 | Confident | 104 Ų | 104 | 90 Ų | 90 | 73% | 0.727 | 54% | 0.542 | S | S | * | . | trans | -55.1 | 102.7 | 171.3 | 155.4 | 0 | 0 | 0 | 0 | 102.1 | G138 Y142 | G138-S140 VanDerWaalsContact C-N 3.33Å; G138-S140 PolarHBondContact O-N 2.85Å; S140-Y142 PolarHBondContact O-N 3.4Å | ||
| 141 | V | 64.4 | Low | 74.9 | Confident | 121 Ų | 121 | 80.7 Ų | 80.7 | 73% | 0.733 | 50% | 0.499 | S | S | * | . | trans | -55.6 | 102.3 | -176.2 | 176.2 | 0 | 0 | 0 | 0 | 103.7 | S139 T143 | S139-V141 PolarHBondContact O-N 2.8Å; V141-T143 VanDerWaalsContact C-N 3.26Å; V141-T143 PolarHBondContact O-N 2.9Å; V141-T143 PolarHBondContact O-OG1 2.76Å | ||
| 142 | Y | 72.8 | Confident | 76.5 | Confident | 192 Ų | 192 | 78.3 Ų | 78.3 | 75% | 0.753 | 47% | 0.474 | S | S | * | . | trans | -69.8 | 97.1 | -173 | 176.6 | -94.6 | 0 | 0 | 0 | 104.6 | S140 P144 | S140-Y142 PolarHBondContact O-N 3.4Å; Y142-P144 HydrophobicContact CE1-CB 4.37Å; Y142-P144 WeakPolarHBondContact O-CD 3.34Å | ||
| 143 | T | 84.2 | Confident | 77.7 | Confident | 96 Ų | 96 | 78.4 Ų | 78.4 | 59% | 0.589 | 46% | 0.459 | S | S | * | . | trans | -74.8 | 109.5 | 174.7 | -47.3 | 0 | 0 | 0 | 0 | 106 | V141 K145 | V141-T143 VanDerWaalsContact C-N 3.26Å; V141-T143 PolarHBondContact O-N 2.9Å; V141-T143 PolarHBondContact O-OG1 2.76Å; T143-K145 PolarHBondContact O-N 3.48Å | ||
| 144 | P | 91.3 | Very high | 78.8 | Confident | 27 Ų | 27 | 83 Ų | 83 | 18% | 0.175 | 47% | 0.467 | C | S | . | . | trans | -59.2 | 127.8 | 178.6 | 25.3 | -33.5 | 0 | 0 | 0 | 108.8 | Y142 L186 L270 P273 | Y142-P144 HydrophobicContact CE1-CB 4.37Å; Y142-P144 WeakPolarHBondContact O-CD 3.34Å; P144-L186 HydrophobicContact CB-CD2 3.63Å; P144-L186 HydrophobicContact CG-CD2 3.59Å; P144-L270 HydrophobicContact CB-CD2 3.94Å; P144-L270 HydrophobicContact CG-CD2 3.7Å; P144-P273 HydrophobicContact CG-CB 4.1Å; P144-P273 HydrophobicContact CG-CG 3.84Å | ||
| 145 | K | 95.8 | Very high | 80.1 | Confident | 158 Ų | 158 | 82 Ų | 82 | 69% | 0.687 | 45% | 0.449 | S | S | * | . | trans | -113.2 | 113.9 | 175.3 | -65.3 | -179.8 | -175.6 | 179.2 | 0 | 107.9 | T143 V171 | T143-K145 PolarHBondContact O-N 3.48Å; K145-V171 HydrophobicContact CB-CG1 4.12Å; K145-V171 WeakPolarHBondContact O-CG1 3.31Å | ||
| 146 | I | 98.4 | Very high | 81.5 | Confident | 15 Ų | 15 | 79.2 Ų | 79.2 | 8% | 0.077 | 42% | 0.417 | C | S | . | . | trans | -132.7 | 121.2 | 178.5 | -60.5 | 165.7 | 0 | 0 | 0 | 107.1 | Y174 F182 P185 L186 Y190 F269 L270 | I146-Y174 HydrophobicContact CD1-CD2 4.48Å; I146-Y174 HydrophobicContact CD1-CE2 4.33Å; I146-Y174 HydrophobicContact CG1-CD2 4.13Å; I146-Y174 HydrophobicContact CG1-CE2 4.02Å; I146-Y174 HydrophobicContact CG2-CD2 3.94Å; I146-F182 HydrophobicContact CG2-CE2 3.73Å; I146-F182 HydrophobicContact CG2-CZ 3.89Å; I146-P185 HydrophobicContact CD1-CG 3.44Å; I146-P185 VanDerWaalsContact CD1-CG 3.44Å; I146-P185 HydrophobicContact CG1-CG 4.39Å; I146-L186 HydrophobicContact CD1-CB 4.36Å; I146-Y190 HydrophobicContact CD1-CE1 4.31Å; I146-Y190 HydrophobicContact CG2-CE1 4.22Å; I146-F269 CarbonylContact O-C 3.5Å; I146-F269 WeakPolarHBondContact O-CA 3.25Å; I146-F269 WeakPolarHBondContact O-CB 3.34Å; I146-L270 HydrophobicContact CB-CB 3.97Å; I146-L270 HydrophobicContact CD1-CB 4.45Å; I146-L270 HydrophobicContact CD1-CD2 4.24Å; I146-L270 PolarHBondContact O-N 3.04Å | ||
| 147 | A | 98.7 | Very high | 83.1 | Confident | 32 Ų | 32 | 82.9 Ų | 82.9 | 26% | 0.264 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 141.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | N170 V171 G268 F269 | A147-N170 CarbonylContact O-C 3.47Å; A147-N170 WeakPolarHBondContact O-CA 3.5Å; A147-V171 PolarHBondContact N-O 3.01Å; A147-V171 PolarHBondContact O-N 3.14Å; A147-G268 CarbonylContact C-O 3.14Å; A147-G268 VanDerWaalsContact CA-O 3.32Å; A147-G268 WeakPolarHBondContact CA-O 3.4Å; A147-F269 HydrophobicContact CB-CB 3.81Å |
| 148 | F | 98.9 | Very high | 84.3 | Confident | 6 Ų | 6 | 73.6 Ų | 73.6 | 3% | 0.026 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 154.5 | 171.3 | 76.9 | -78.8 | 0 | 0 | 0 | 111.7 | T169 Y175 F182 F192 F266 S267 G268 | F148-T169 CarbonylContact C-O 3.51Å; F148-T169 WeakPolarHBondContact CA-O 3.2Å; F148-T169 WeakPolarHBondContact CB-O 3.29Å; F148-Y175 HydrophobicContact CB-CG 4.46Å; F148-Y175 HydrophobicContact CD2-CD1 4.17Å; F148-Y175 AromaticContact CD2-CD2 3.61Å; F148-Y175 HydrophobicContact CD2-CD2 3.61Å; F148-Y175 HydrophobicContact CD2-CE2 4.32Å; F148-Y175 AromaticContact CD2-CG 3.54Å; F148-Y175 HydrophobicContact CD2-CG 3.54Å; F148-Y175 AromaticContact CE2-CD2 3.53Å; F148-Y175 HydrophobicContact CE2-CD2 3.53Å; F148-Y175 AromaticContact CE2-CE2 3.97Å; F148-Y175 HydrophobicContact CE2-CE2 3.97Å; F148-Y175 AromaticContact CE2-CG 3.98Å; F148-Y175 HydrophobicContact CE2-CG 3.98Å; F148-Y175 HydrophobicContact CG-CD2 4.32Å; F148-Y175 HydrophobicContact CG-CG 4.05Å; F148-Y175 HydrophobicContact CZ-CD2 4.17Å; F148-F182 AromaticContact CD1-CD2 3.69Å; F148-F182 HydrophobicContact CD1-CD2 3.69Å; F148-F182 HydrophobicContact CD1-CE2 4.24Å; F148-F182 HydrophobicContact CD1-CG 4.47Å; F148-F182 HydrophobicContact CE1-CB 4.06Å; F148-F182 AromaticContact CE1-CD2 3.69Å; F148-F182 HydrophobicContact CE1-CD2 3.69Å; F148-F182 HydrophobicContact CE1-CE2 4.44Å; F148-F182 HydrophobicContact CE1-CG 4.04Å; F148-F182 HydrophobicContact CZ-CB 4.28Å; F148-F192 HydrophobicContact CE1-CD1 4.05Å; F148-F192 AromaticContact CE1-CE1 3.85Å; F148-F192 HydrophobicContact CE1-CE1 3.85Å; F148-F192 HydrophobicContact CZ-CD1 4.16Å; F148-F192 HydrophobicContact CZ-CE1 4.29Å; F148-F266 AromaticContact CE2-CD1 3.6Å; F148-F266 HydrophobicContact CE2-CD1 3.6Å; F148-F266 HydrophobicContact CE2-CD2 4.49Å; F148-F266 AromaticContact CE2-CE1 3.8Å; F148-F266 HydrophobicContact CE2-CE1 3.8Å; F148-F266 AromaticContact CE2-CG 3.96Å; F148-F266 HydrophobicContact CE2-CG 3.96Å; F148-F266 HydrophobicContact CE2-CZ 4.33Å; F148-F266 AromaticContact CZ-CD1 3.84Å; F148-F266 HydrophobicContact CZ-CD1 3.84Å; F148-F266 HydrophobicContact CZ-CD2 4.35Å; F148-F266 AromaticContact CZ-CE1 3.57Å; F148-F266 HydrophobicContact CZ-CE1 3.57Å; F148-F266 HydrophobicContact CZ-CE2 4.1Å; F148-F266 HydrophobicContact CZ-CG 4.22Å; F148-F266 AromaticContact CZ-CZ 3.71Å; F148-F266 HydrophobicContact CZ-CZ 3.71Å; F148-S267 VanDerWaalsContact O-CA 3.26Å; F148-S267 WeakPolarHBondContact O-CA 3.31Å; F148-S267 VanDerWaalsContact O-CB 3.29Å; F148-S267 WeakPolarHBondContact O-CB 3.48Å; F148-G268 WeakPolarHBondContact CD1-O 3.44Å; F148-G268 PolarHBondContact N-O 2.84Å; F148-G268 PolarHBondContact O-N 2.86Å; F148-G268 VanDerWaalsContact O-N 3.09Å |
| 149 | Y | 98.9 | Very high | 85.7 | Confident | 70 Ų | 70 | 74.3 Ų | 74.3 | 28% | 0.275 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 129.4 | 168.8 | 170.3 | -83.5 | 0 | 0 | 0 | 108 | V168 T169 K262 T265 | Y149-V168 HydrophobicContact CD1-CB 3.69Å; Y149-V168 HydrophobicContact CD1-CG2 3.64Å; Y149-V168 HydrophobicContact CE1-CB 4.15Å; Y149-V168 HydrophobicContact CE1-CG2 3.62Å; Y149-V168 PolarHBondContact O-N 2.84Å; Y149-T169 PolarHBondContact N-O 3.15Å; Y149-T169 PolarHBondContact O-N 2.85Å; Y149-K262 HydrophobicContact CE1-CD 4.31Å; Y149-T265 HydrophobicContact CE2-CG2 3.97Å; Y149-T265 VanDerWaalsContact OH-CG2 3.27Å; Y149-T265 WeakPolarHBondContact OH-CG2 3.33Å |
| 150 | A | 98.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 138.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F164 D166 V167 Y175 T265 F266 | A150-F164 HydrophobicContact CB-CB 3.59Å; A150-F164 WeakPolarHBondContact CB-O 3.36Å; A150-D166 WeakPolarHBondContact CA-O 3.36Å; A150-V167 HydrophobicContact CB-CG2 4.15Å; A150-Y175 HydrophobicContact CB-CD1 4.32Å; A150-Y175 HydrophobicContact CB-CE1 3.76Å; A150-T265 VanDerWaalsContact O-CA 3.3Å; A150-T265 WeakPolarHBondContact O-CA 3.46Å; A150-F266 PolarHBondContact N-O 3.38Å; A150-F266 PolarHBondContact O-N 2.9Å |
| 151 | G | 98.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 174.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F164 D165 D166 N261 S264 | G151-F164 CarbonylContact O-C 3.59Å; G151-F164 WeakPolarHBondContact O-CA 3.39Å; G151-F164 VanDerWaalsContact O-CB 3.32Å; G151-F164 WeakPolarHBondContact O-CB 3.44Å; G151-D165 PolarHBondContact O-N 2.74Å; G151-D166 PolarHBondContact N-O 2.88Å; G151-D166 WeakPolarHBondContact O-CB 3.42Å; G151-D166 PolarHBondContact O-N 3.13Å; G151-N261 CarbonylContact C-O 3.54Å; G151-N261 WeakPolarHBondContact CA-O 3.31Å; G151-S264 CarbonylContact C-O 3.57Å; G151-S264 WeakPolarHBondContact CA-O 3.5Å |
| 152 | L | 97 | Very high | 90.9 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | trans | -110.2 | 122.8 | -179.6 | -164.7 | 74.1 | 0 | 0 | 0 | 110.3 | K154 K163 F164 V255 G257 N261 S264 | L152-K154 WeakPolarHBondContact CD2-O 3.37Å; L152-K154 VanDerWaalsContact CG-O 3.28Å; L152-K154 WeakPolarHBondContact CG-O 3.37Å; L152-K163 WeakPolarHBondContact CD1-O 3.48Å; L152-F164 HydrophobicContact CB-CD1 4.02Å; L152-F164 HydrophobicContact CB-CE1 4.48Å; L152-F164 HydrophobicContact CD1-CD1 4.06Å; L152-F164 HydrophobicContact CD1-CG 4.26Å; L152-V255 HydrophobicContact CD2-CB 4.24Å; L152-V255 HydrophobicContact CD2-CG1 3.4Å; L152-G257 WeakPolarHBondContact O-CA 3.23Å; L152-N261 PolarHBondContact N-O 3.19Å; L152-N261 VanDerWaalsContact O-CA 3.24Å; L152-N261 WeakPolarHBondContact O-CA 3.35Å; L152-N261 VanDerWaalsContact O-CB 3.26Å; L152-N261 WeakPolarHBondContact O-CB 3.18Å; L152-S264 PolarHBondContact N-O 2.8Å | ||
| 153 | R | 93.8 | Very high | 92 | Very high | 118 Ų | 118 | 59.1 Ų | 59.1 | 45% | 0.445 | 30% | 0.296 | S | S | . | . | trans | -98.6 | -43.6 | 174.8 | -169.2 | -175.7 | -53.1 | 114 | 0.8 | 111.6 | D165 D166 N261 | R153-D165 WeakPolarHBondContact CA-OD1 3.14Å; R153-D165 WeakPolarHBondContact CB-OD1 3.46Å; R153-D165 IonicContact CZ-OD2 3.73Å; R153-D165 PolarHBondContact N-OD1 2.94Å; R153-D165 PolarHBondContact NH1-O 2.88Å; R153-D165 IonicContact NH1-OD1 2.82Å; R153-D165 IonicContact NH1-OD2 3.87Å; R153-D165 PolarHBondContact NH1-OD2 2.7Å; R153-D165 PolarHBondContact NH2-O 3.2Å; R153-D166 IonicContact CZ-OD1 2.69Å; R153-D166 IonicContact NE-OD1 2.74Å; R153-D166 IonicContact NH2-OD1 3.06Å; R153-D166 PolarHBondContact NH2-OD1 2.81Å; R153-N261 HydrophobicContact CB-CB 4.47Å | ||
| 154 | K | 87.4 | Confident | 92.7 | Very high | 140 Ų | 140 | 54.5 Ų | 54.5 | 61% | 0.609 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -87 | 136.1 | -179.1 | -66.5 | 176.9 | -173.2 | 177.5 | 0 | 110.5 | L152 H156 D165 | L152-K154 WeakPolarHBondContact CD2-O 3.37Å; L152-K154 VanDerWaalsContact CG-O 3.28Å; L152-K154 WeakPolarHBondContact CG-O 3.37Å; K154-H156 PolarHBondContact O-CD2 3.13Å; K154-H156 VanDerWaalsContact O-CD2 3.29Å; K154-D165 PolarHBondContact N-OD1 3.49Å |
| 155 | Q | 85.6 | Confident | 93 | Very high | 136 Ų | 136 | 54.5 Ų | 54.5 | 64% | 0.636 | 27% | 0.266 | S | S | * | . | trans | -70.7 | 142 | 171.1 | -65.6 | -178.8 | 2.2 | 0 | 0 | 109.2 | V255 H256 | Q155-V255 WeakPolarHBondContact CA-O 3.48Å; Q155-H256 PolarHBondContact NE2-ND1 2.65Å; Q155-H256 VanDerWaalsContact NE2-ND1 3.15Å | ||
| 156 | H | 83.4 | Confident | 93.1 | Very high | 14 Ų | 14 | 48.3 Ų | 48.3 | 7% | 0.065 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 148.2 | 177.7 | -78 | -90.5 | 0 | 0 | 0 | 109.3 | K154 E160 L162 K163 K254 V255 | K154-H156 PolarHBondContact O-CD2 3.13Å; K154-H156 VanDerWaalsContact O-CD2 3.29Å; H156-E160 WeakPolarHBondContact CB-OE1 3.49Å; H156-E160 IonicContact CE1-OE1 3.72Å; H156-E160 IonicContact CG-OE1 3.86Å; H156-E160 IonicContact ND1-OE1 3.55Å; H156-E160 PolarHBondContact ND1-OE1 2.95Å; H156-E160 IonicContact ND1-OE2 3.38Å; H156-L162 HydrophobicContact CB-CD2 3.46Å; H156-L162 VanDerWaalsContact CB-CD2 3.46Å; H156-K163 PolarHBondContact NE2-N 3.04Å; H156-K254 WeakPolarHBondContact O-CA 3.43Å; H156-V255 HydrophobicContact CB-CB 4.5Å; H156-V255 PolarHBondContact O-N 3.32Å |
| 157 | E | 82 | Confident | 93.1 | Very high | 118 Ų | 118 | 50.1 Ų | 50.1 | 55% | 0.551 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 154.5 | 179.1 | 65.8 | -178 | -177.2 | 0 | 0 | 112.5 | E160 G253 K254 | E157-E160 PolarHBondContact N-OE1 2.99Å; E157-G253 WeakPolarHBondContact CA-O 3.39Å; E157-K254 HydrophobicContact CB-CG 4.02Å; E157-K254 WeakPolarHBondContact OE2-CE 3.46Å; E157-K254 IonicContact OE2-NZ 2.61Å; E157-K254 PolarHBondContact OE2-NZ 3.37Å; E157-K254 VanDerWaalsContact OE2-NZ 3.15Å |
| 158 | G | 79.3 | Confident | 93.1 | Very high | 33 Ų | 33 | 52.8 Ų | 52.8 | 34% | 0.34 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 81.5 | -139.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L250 G252 G253 | G158-L250 VanDerWaalsContact O-CD2 3.3Å; G158-L250 WeakPolarHBondContact O-CD2 3.31Å; G158-L250 WeakPolarHBondContact O-CG 3.39Å; G158-G252 PolarHBondContact O-N 2.7Å; G158-G252 VanDerWaalsContact O-N 3.13Å; G158-G253 PolarHBondContact N-O 2.95Å |
| 159 | S | 83.4 | Confident | 93.1 | Very high | 75 Ų | 75 | 55.3 Ų | 55.3 | 52% | 0.524 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -118.5 | 75.8 | -175.9 | -55 | 0 | 0 | 0 | 0 | 110.6 | L250 D251 | S159-L250 VanDerWaalsContact CA-O 3.28Å; S159-L250 WeakPolarHBondContact CA-O 3.43Å; S159-D251 PolarHBondContact OG-OD1 2.99Å |
| 160 | E | 88.6 | Confident | 93.1 | Very high | 71 Ų | 71 | 53.6 Ų | 53.6 | 33% | 0.332 | 28% | 0.276 | S | S | . | . | trans | -130.2 | 162.7 | -179.1 | 66.4 | 173.6 | 161.2 | 0 | 0 | 113 | H156 E157 L162 L250 | H156-E160 WeakPolarHBondContact CB-OE1 3.49Å; H156-E160 IonicContact CE1-OE1 3.72Å; H156-E160 IonicContact CG-OE1 3.86Å; H156-E160 IonicContact ND1-OE1 3.55Å; H156-E160 PolarHBondContact ND1-OE1 2.95Å; H156-E160 IonicContact ND1-OE2 3.38Å; E157-E160 PolarHBondContact N-OE1 2.99Å; E160-L162 PolarHBondContact O-N 3.22Å; E160-L250 PolarHBondContact O-N 2.94Å | ||
| 161 | I | 95.9 | Very high | 93 | Very high | 47 Ų | 47 | 57 Ų | 57 | 24% | 0.241 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -69.8 | 128.2 | 171.3 | -61.9 | 173.7 | 0 | 0 | 0 | 108.4 | K163 T179 C247 | I161-K163 PolarHBondContact O-N 3.35Å; I161-T179 WeakPolarHBondContact CG2-O 3.19Å; I161-C247 HydrophobicContact CG2-CB 3.91Å |
| 162 | L | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -73.8 | 121.6 | 177.9 | -63.7 | -178.1 | 0 | 0 | 0 | 110.3 | H156 E160 F164 G180 V196 V248 L250 V255 | H156-L162 HydrophobicContact CB-CD2 3.46Å; H156-L162 VanDerWaalsContact CB-CD2 3.46Å; E160-L162 PolarHBondContact O-N 3.22Å; L162-F164 HydrophobicContact CB-CD2 4.21Å; L162-F164 HydrophobicContact CB-CE2 3.55Å; L162-F164 HydrophobicContact CB-CZ 3.9Å; L162-F164 HydrophobicContact CD1-CE2 4.38Å; L162-F164 HydrophobicContact CD1-CZ 3.94Å; L162-F164 WeakPolarHBondContact O-CD2 3.32Å; L162-F164 PolarHBondContact O-N 2.91Å; L162-G180 WeakPolarHBondContact O-CA 3.37Å; L162-V196 HydrophobicContact CD1-CG1 3.94Å; L162-V196 HydrophobicContact CD1-CG2 3.92Å; L162-V248 HydrophobicContact CD1-CG1 4.04Å; L162-V248 PolarHBondContact N-O 3.49Å; L162-L250 HydrophobicContact CD2-CB 4.05Å; L162-L250 HydrophobicContact CG-CB 4.33Å; L162-V255 HydrophobicContact CD1-CG1 4.44Å; L162-V255 HydrophobicContact CD1-CG2 4.27Å; L162-V255 HydrophobicContact CD2-CB 4.28Å; L162-V255 HydrophobicContact CD2-CG2 4.03Å | ||
| 163 | K | 97.1 | Very high | 93 | Very high | 85 Ų | 85 | 64.8 Ų | 64.8 | 37% | 0.37 | 35% | 0.347 | S | S | . | . | trans | -98.8 | 85.7 | -179.1 | -62.8 | 174.5 | -175.8 | 177 | 0 | 109.2 | L152 H156 I161 D165 S178 | L152-K163 WeakPolarHBondContact CD1-O 3.48Å; H156-K163 PolarHBondContact NE2-N 3.04Å; I161-K163 PolarHBondContact O-N 3.35Å; K163-D165 VanDerWaalsContact C-N 3.28Å; K163-D165 PolarHBondContact O-N 3.15Å; K163-S178 WeakPolarHBondContact CD-O 3.3Å; K163-S178 WeakPolarHBondContact CE-O 3.33Å | ||
| 164 | F | 97.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | trans | -66.4 | 88.2 | 175.6 | -56 | -96.2 | 0 | 0 | 0 | 109.6 | A150 G151 L152 L162 Y175 V196 V248 F266 | A150-F164 HydrophobicContact CB-CB 3.59Å; A150-F164 WeakPolarHBondContact CB-O 3.36Å; G151-F164 CarbonylContact O-C 3.59Å; G151-F164 WeakPolarHBondContact O-CA 3.39Å; G151-F164 VanDerWaalsContact O-CB 3.32Å; G151-F164 WeakPolarHBondContact O-CB 3.44Å; L152-F164 HydrophobicContact CB-CD1 4.02Å; L152-F164 HydrophobicContact CB-CE1 4.48Å; L152-F164 HydrophobicContact CD1-CD1 4.06Å; L152-F164 HydrophobicContact CD1-CG 4.26Å; L162-F164 HydrophobicContact CB-CD2 4.21Å; L162-F164 HydrophobicContact CB-CE2 3.55Å; L162-F164 HydrophobicContact CB-CZ 3.9Å; L162-F164 HydrophobicContact CD1-CE2 4.38Å; L162-F164 HydrophobicContact CD1-CZ 3.94Å; L162-F164 WeakPolarHBondContact O-CD2 3.32Å; L162-F164 PolarHBondContact O-N 2.91Å; F164-Y175 VanDerWaalsContact CB-OH 3.31Å; F164-Y175 WeakPolarHBondContact CB-OH 3.06Å; F164-Y175 PolarHBondContact N-OH 3.03Å; F164-Y175 WeakPolarHBondContact O-CE1 3.49Å; F164-Y175 PolarHBondContact O-OH 3.32Å; F164-V196 HydrophobicContact CZ-CG2 4.26Å; F164-V248 HydrophobicContact CE2-CB 4.07Å; F164-V248 HydrophobicContact CE2-CG2 4.29Å; F164-V248 HydrophobicContact CZ-CB 4.44Å; F164-F266 HydrophobicContact CD1-CB 4.06Å; F164-F266 HydrophobicContact CD2-CB 3.56Å; F164-F266 HydrophobicContact CD2-CD1 4.15Å; F164-F266 HydrophobicContact CD2-CG 4.28Å; F164-F266 HydrophobicContact CE1-CB 4.03Å; F164-F266 HydrophobicContact CE2-CB 3.53Å; F164-F266 HydrophobicContact CE2-CD1 4.26Å; F164-F266 HydrophobicContact CE2-CG 4.16Å; F164-F266 HydrophobicContact CG-CB 3.84Å; F164-F266 HydrophobicContact CZ-CB 3.77Å | ||
| 165 | D | 97.2 | Very high | 93.7 | Very high | 26 Ų | 26 | 57.2 Ų | 57.2 | 14% | 0.139 | 32% | 0.315 | C | S | . | . | trans | -92.1 | 6.2 | -168.4 | 68.6 | -32.9 | 0 | 0 | 0 | 113.9 | G151 R153 K154 K163 | G151-D165 PolarHBondContact O-N 2.74Å; R153-D165 WeakPolarHBondContact CA-OD1 3.14Å; R153-D165 WeakPolarHBondContact CB-OD1 3.46Å; R153-D165 IonicContact CZ-OD2 3.73Å; R153-D165 PolarHBondContact N-OD1 2.94Å; R153-D165 PolarHBondContact NH1-O 2.88Å; R153-D165 IonicContact NH1-OD1 2.82Å; R153-D165 IonicContact NH1-OD2 3.87Å; R153-D165 PolarHBondContact NH1-OD2 2.7Å; R153-D165 PolarHBondContact NH2-O 3.2Å; K154-D165 PolarHBondContact N-OD1 3.49Å; K163-D165 VanDerWaalsContact C-N 3.28Å; K163-D165 PolarHBondContact O-N 3.15Å | ||
| 166 | D | 98.1 | Very high | 94.4 | Very high | 28 Ų | 28 | 55 Ų | 55 | 15% | 0.15 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 70.2 | 174.8 | -160.8 | 53.3 | 0 | 0 | 0 | 111.4 | A150 G151 R153 V168 N261 K262 | A150-D166 WeakPolarHBondContact CA-O 3.36Å; G151-D166 PolarHBondContact N-O 2.88Å; G151-D166 WeakPolarHBondContact O-CB 3.42Å; G151-D166 PolarHBondContact O-N 3.13Å; R153-D166 IonicContact CZ-OD1 2.69Å; R153-D166 IonicContact NE-OD1 2.74Å; R153-D166 IonicContact NH2-OD1 3.06Å; R153-D166 PolarHBondContact NH2-OD1 2.81Å; D166-V168 PolarHBondContact O-N 3.39Å; D166-N261 HydrophobicContact CB-CB 3.99Å; D166-N261 WeakPolarHBondContact OD2-CB 3.22Å; D166-K262 IonicContact OD2-NZ 3.69Å; D166-K262 PolarHBondContact OD2-NZ 2.82Å |
| 167 | V | 98.4 | Very high | 95 | Very high | 54 Ų | 54 | 56.2 Ų | 56.2 | 33% | 0.327 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 123.3 | -176.8 | -176.9 | 0 | 0 | 0 | 0 | 110.8 | A150 N170 Y175 P177 | A150-V167 HydrophobicContact CB-CG2 4.15Å; V167-N170 HydrophobicContact CG1-CB 3.77Å; V167-Y175 HydrophobicContact CG2-CD1 4.1Å; V167-Y175 HydrophobicContact CG2-CE1 4.11Å; V167-P177 HydrophobicContact CG2-CB 3.85Å; V167-P177 HydrophobicContact CG2-CG 4.01Å |
| 168 | V | 98.5 | Very high | 95.7 | Very high | 88 Ų | 88 | 54.1 Ų | 54.1 | 53% | 0.533 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -39.7 | 173.8 | -172.6 | 0 | 0 | 0 | 0 | 111 | Y149 D166 | Y149-V168 HydrophobicContact CD1-CB 3.69Å; Y149-V168 HydrophobicContact CD1-CG2 3.64Å; Y149-V168 HydrophobicContact CE1-CB 4.15Å; Y149-V168 HydrophobicContact CE1-CG2 3.62Å; Y149-V168 PolarHBondContact O-N 2.84Å; D166-V168 PolarHBondContact O-N 3.39Å |
| 169 | T | 98.7 | Very high | 96.6 | Very high | 58 Ų | 58 | 55.2 Ų | 55.2 | 36% | 0.356 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 135.3 | 179.9 | -56.8 | 0 | 0 | 0 | 0 | 109.1 | F148 Y149 V171 | F148-T169 CarbonylContact C-O 3.51Å; F148-T169 WeakPolarHBondContact CA-O 3.2Å; F148-T169 WeakPolarHBondContact CB-O 3.29Å; Y149-T169 PolarHBondContact N-O 3.15Å; Y149-T169 PolarHBondContact O-N 2.85Å; T169-V171 HydrophobicContact CG2-CG2 3.96Å |
| 170 | N | 98.6 | Very high | 97.3 | Very high | 35 Ų | 35 | 51.6 Ų | 51.6 | 19% | 0.187 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 61.1 | 174 | -159.4 | 2.9 | 0 | 0 | 0 | 111.2 | A147 V167 G172 N173 Y174 Y175 | A147-N170 CarbonylContact O-C 3.47Å; A147-N170 WeakPolarHBondContact O-CA 3.5Å; V167-N170 HydrophobicContact CG1-CB 3.77Å; N170-G172 PolarHBondContact O-N 2.87Å; N170-N173 PolarHBondContact O-N 2.9Å; N170-N173 PolarHBondContact O-OD1 3.32Å; N170-N173 WeakPolarHBondContact OD1-CA 3.24Å; N170-Y174 PolarHBondContact OD1-N 2.82Å; N170-Y175 PolarHBondContact ND2-O 3.31Å; N170-Y175 PolarHBondContact OD1-N 3.01Å |
| 171 | V | 98.3 | Very high | 97.8 | Very high | 70 Ų | 70 | 50.5 Ų | 50.5 | 42% | 0.424 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 117.8 | 178.2 | -174 | 0 | 0 | 0 | 0 | 108.9 | K145 A147 T169 | K145-V171 HydrophobicContact CB-CG1 4.12Å; K145-V171 WeakPolarHBondContact O-CG1 3.31Å; A147-V171 PolarHBondContact N-O 3.01Å; A147-V171 PolarHBondContact O-N 3.14Å; T169-V171 HydrophobicContact CG2-CG2 3.96Å |
| 172 | G | 96.1 | Very high | 97.9 | Very high | 34 Ų | 34 | 48.3 Ų | 48.3 | 35% | 0.351 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92 | -10.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | N170 Y174 | N170-G172 PolarHBondContact O-N 2.87Å; G172-Y174 VanDerWaalsContact C-CD2 3.48Å; G172-Y174 VanDerWaalsContact C-N 3.34Å; G172-Y174 VanDerWaalsContact CA-CE2 3.48Å; G172-Y174 WeakPolarHBondContact O-CD2 3.21Å; G172-Y174 VanDerWaalsContact O-CE2 3.25Å; G172-Y174 WeakPolarHBondContact O-CE2 3.14Å; G172-Y174 PolarHBondContact O-N 3.21Å |
| 173 | N | 98.1 | Very high | 98 | Very high | 131 Ų | 131 | 50.9 Ų | 50.9 | 70% | 0.701 | 29% | 0.286 | S | S | * | . | S | Bend | trans | 57.3 | 39.3 | 178.9 | -58.4 | -53.2 | 0 | 0 | 0 | 114.6 | N170 | N170-N173 PolarHBondContact O-N 2.9Å; N170-N173 PolarHBondContact O-OD1 3.32Å; N170-N173 WeakPolarHBondContact OD1-CA 3.24Å |
| 174 | Y | 98.5 | Very high | 98.1 | Very high | 94 Ų | 94 | 47 Ų | 47 | 37% | 0.369 | 27% | 0.269 | S | S | . | . | trans | -97.9 | -6.9 | -177.9 | -59.9 | -62.4 | 0 | 0 | 0 | 113.9 | I146 N170 G172 F182 T183 P185 | I146-Y174 HydrophobicContact CD1-CD2 4.48Å; I146-Y174 HydrophobicContact CD1-CE2 4.33Å; I146-Y174 HydrophobicContact CG1-CD2 4.13Å; I146-Y174 HydrophobicContact CG1-CE2 4.02Å; I146-Y174 HydrophobicContact CG2-CD2 3.94Å; N170-Y174 PolarHBondContact OD1-N 2.82Å; G172-Y174 VanDerWaalsContact C-CD2 3.48Å; G172-Y174 VanDerWaalsContact C-N 3.34Å; G172-Y174 VanDerWaalsContact CA-CE2 3.48Å; G172-Y174 WeakPolarHBondContact O-CD2 3.21Å; G172-Y174 VanDerWaalsContact O-CE2 3.25Å; G172-Y174 WeakPolarHBondContact O-CE2 3.14Å; G172-Y174 PolarHBondContact O-N 3.21Å; Y174-F182 CarbonylContact O-C 3.49Å; Y174-F182 WeakPolarHBondContact O-CA 3.46Å; Y174-T183 PolarHBondContact O-N 2.83Å; Y174-P185 HydrophobicContact CD1-CB 3.56Å; Y174-P185 HydrophobicContact CD1-CG 3.8Å; Y174-P185 HydrophobicContact CD2-CB 4.24Å; Y174-P185 HydrophobicContact CD2-CG 3.63Å; Y174-P185 HydrophobicContact CE1-CB 3.21Å; Y174-P185 HydrophobicContact CE1-CG 3.75Å; Y174-P185 HydrophobicContact CE2-CB 3.91Å; Y174-P185 HydrophobicContact CE2-CG 3.52Å; Y174-P185 HydrophobicContact CG-CB 4.06Å; Y174-P185 HydrophobicContact CG-CG 3.74Å | ||
| 175 | Y | 98.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 127.1 | 165.2 | -179.6 | -101.3 | 0 | 0 | 0 | 110.5 | F148 A150 F164 V167 N170 P177 G180 K181 F182 F266 | F148-Y175 HydrophobicContact CB-CG 4.46Å; F148-Y175 HydrophobicContact CD2-CD1 4.17Å; F148-Y175 AromaticContact CD2-CD2 3.61Å; F148-Y175 HydrophobicContact CD2-CD2 3.61Å; F148-Y175 HydrophobicContact CD2-CE2 4.32Å; F148-Y175 AromaticContact CD2-CG 3.54Å; F148-Y175 HydrophobicContact CD2-CG 3.54Å; F148-Y175 AromaticContact CE2-CD2 3.53Å; F148-Y175 HydrophobicContact CE2-CD2 3.53Å; F148-Y175 AromaticContact CE2-CE2 3.97Å; F148-Y175 HydrophobicContact CE2-CE2 3.97Å; F148-Y175 AromaticContact CE2-CG 3.98Å; F148-Y175 HydrophobicContact CE2-CG 3.98Å; F148-Y175 HydrophobicContact CG-CD2 4.32Å; F148-Y175 HydrophobicContact CG-CG 4.05Å; F148-Y175 HydrophobicContact CZ-CD2 4.17Å; A150-Y175 HydrophobicContact CB-CD1 4.32Å; A150-Y175 HydrophobicContact CB-CE1 3.76Å; F164-Y175 VanDerWaalsContact CB-OH 3.31Å; F164-Y175 WeakPolarHBondContact CB-OH 3.06Å; F164-Y175 PolarHBondContact N-OH 3.03Å; F164-Y175 WeakPolarHBondContact O-CE1 3.49Å; F164-Y175 PolarHBondContact O-OH 3.32Å; V167-Y175 HydrophobicContact CG2-CD1 4.1Å; V167-Y175 HydrophobicContact CG2-CE1 4.11Å; N170-Y175 PolarHBondContact ND2-O 3.31Å; N170-Y175 PolarHBondContact OD1-N 3.01Å; Y175-P177 HydrophobicContact CE1-CB 4.11Å; Y175-G180 WeakPolarHBondContact OH-CA 3.45Å; Y175-K181 WeakPolarHBondContact CA-O 3.33Å; Y175-K181 WeakPolarHBondContact CD2-O 3.27Å; Y175-F182 HydrophobicContact CD2-CB 4.41Å; Y175-F266 AromaticContact CE2-CD1 3.91Å; Y175-F266 HydrophobicContact CE2-CD1 3.91Å; Y175-F266 HydrophobicContact CE2-CE1 4.17Å |
| 176 | E | 98.6 | Very high | 98.1 | Very high | 90 Ų | 90 | 50.1 Ų | 50.1 | 42% | 0.421 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 102.3 | -179 | 178.8 | 52.6 | -111.1 | 0 | 0 | 110.4 | S178 T179 G180 K181 | E176-S178 WeakPolarHBondContact CG-OG 2.95Å; E176-S178 PolarHBondContact O-N 3.01Å; E176-S178 WeakPolarHBondContact OE1-CB 3.28Å; E176-S178 PolarHBondContact OE1-N 3.29Å; E176-S178 PolarHBondContact OE1-OG 2.67Å; E176-T179 HydrophobicContact CG-CG2 3.92Å; E176-T179 PolarHBondContact O-N 2.84Å; E176-T179 VanDerWaalsContact O-N 3.11Å; E176-T179 PolarHBondContact O-OG1 2.85Å; E176-G180 PolarHBondContact O-N 3.38Å; E176-K181 PolarHBondContact N-O 2.96Å |
| 177 | P | 97.6 | Very high | 98.2 | Very high | 39 Ų | 39 | 50.7 Ų | 50.7 | 25% | 0.253 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -23.8 | -175 | 25.4 | -34.4 | 0 | 0 | 0 | 113.4 | V167 Y175 T179 | V167-P177 HydrophobicContact CG2-CB 3.85Å; V167-P177 HydrophobicContact CG2-CG 4.01Å; Y175-P177 HydrophobicContact CE1-CB 4.11Å; P177-T179 VanDerWaalsContact C-N 3.26Å; P177-T179 PolarHBondContact O-N 3.03Å |
| 178 | S | 96.6 | Very high | 98.2 | Very high | 75 Ų | 75 | 48.1 Ų | 48.1 | 52% | 0.524 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -25.6 | 176.7 | 64 | 0 | 0 | 0 | 0 | 113 | K163 E176 | K163-S178 WeakPolarHBondContact CD-O 3.3Å; K163-S178 WeakPolarHBondContact CE-O 3.33Å; E176-S178 WeakPolarHBondContact CG-OG 2.95Å; E176-S178 PolarHBondContact O-N 3.01Å; E176-S178 WeakPolarHBondContact OE1-CB 3.28Å; E176-S178 PolarHBondContact OE1-N 3.29Å; E176-S178 PolarHBondContact OE1-OG 2.67Å |
| 179 | T | 97.3 | Very high | 98.2 | Very high | 55 Ų | 55 | 45.2 Ų | 45.2 | 34% | 0.337 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -21.9 | -179.9 | 67.6 | 0 | 0 | 0 | 0 | 113.3 | I161 E176 P177 K181 | I161-T179 WeakPolarHBondContact CG2-O 3.19Å; E176-T179 HydrophobicContact CG-CG2 3.92Å; E176-T179 PolarHBondContact O-N 2.84Å; E176-T179 VanDerWaalsContact O-N 3.11Å; E176-T179 PolarHBondContact O-OG1 2.85Å; P177-T179 VanDerWaalsContact C-N 3.26Å; P177-T179 PolarHBondContact O-N 3.03Å; T179-K181 VanDerWaalsContact C-N 3.3Å; T179-K181 WeakPolarHBondContact OG1-CB 3.37Å; T179-K181 PolarHBondContact OG1-N 2.56Å |
| 180 | G | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 12.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L162 Y175 E176 | L162-G180 WeakPolarHBondContact O-CA 3.37Å; Y175-G180 WeakPolarHBondContact OH-CA 3.45Å; E176-G180 PolarHBondContact O-N 3.38Å |
| 181 | K | 98.8 | Very high | 98.2 | Very high | 48 Ų | 48 | 43.8 Ų | 43.8 | 21% | 0.209 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 143.1 | -171 | -55.7 | -175.4 | -179.9 | -176.6 | 0 | 112.3 | Y175 E176 T179 E245 V246 C247 | Y175-K181 WeakPolarHBondContact CA-O 3.33Å; Y175-K181 WeakPolarHBondContact CD2-O 3.27Å; E176-K181 PolarHBondContact N-O 2.96Å; T179-K181 VanDerWaalsContact C-N 3.3Å; T179-K181 WeakPolarHBondContact OG1-CB 3.37Å; T179-K181 PolarHBondContact OG1-N 2.56Å; K181-E245 HydrophobicContact CD-CB 4.36Å; K181-E245 HydrophobicContact CD-CG 4.33Å; K181-E245 VanDerWaalsContact CD-OE1 3.29Å; K181-E245 WeakPolarHBondContact CD-OE1 3.32Å; K181-E245 IonicContact NZ-OE1 3.88Å; K181-E245 PolarHBondContact NZ-OE1 3.05Å; K181-E245 IonicContact NZ-OE2 3.42Å; K181-E245 PolarHBondContact NZ-OE2 3.02Å; K181-V246 WeakPolarHBondContact CA-O 3.47Å; K181-C247 HydrophobicContact CG-CB 4.05Å |
| 182 | F | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 130.2 | 159.5 | 172.9 | -91.2 | 0 | 0 | 0 | 108.9 | I146 F148 Y174 Y175 C184 Y190 F192 L240 E245 V246 | I146-F182 HydrophobicContact CG2-CE2 3.73Å; I146-F182 HydrophobicContact CG2-CZ 3.89Å; F148-F182 AromaticContact CD1-CD2 3.69Å; F148-F182 HydrophobicContact CD1-CD2 3.69Å; F148-F182 HydrophobicContact CD1-CE2 4.24Å; F148-F182 HydrophobicContact CD1-CG 4.47Å; F148-F182 HydrophobicContact CE1-CB 4.06Å; F148-F182 AromaticContact CE1-CD2 3.69Å; F148-F182 HydrophobicContact CE1-CD2 3.69Å; F148-F182 HydrophobicContact CE1-CE2 4.44Å; F148-F182 HydrophobicContact CE1-CG 4.04Å; F148-F182 HydrophobicContact CZ-CB 4.28Å; Y174-F182 CarbonylContact O-C 3.49Å; Y174-F182 WeakPolarHBondContact O-CA 3.46Å; Y175-F182 HydrophobicContact CD2-CB 4.41Å; F182-C184 HydrophobicContact CE1-CB 4.3Å; F182-Y190 HydrophobicContact CE1-CD1 4.22Å; F182-Y190 HydrophobicContact CE1-CE1 4.12Å; F182-Y190 HydrophobicContact CZ-CD1 4.03Å; F182-Y190 AromaticContact CZ-CE1 3.69Å; F182-Y190 HydrophobicContact CZ-CE1 3.69Å; F182-F192 HydrophobicContact CB-CE1 4.3Å; F182-F192 AromaticContact CD1-CE1 3.84Å; F182-F192 HydrophobicContact CD1-CE1 3.84Å; F182-F192 AromaticContact CD1-CZ 3.76Å; F182-F192 HydrophobicContact CD1-CZ 3.76Å; F182-F192 HydrophobicContact CE1-CE1 4.33Å; F182-F192 AromaticContact CE1-CZ 3.97Å; F182-F192 HydrophobicContact CE1-CZ 3.97Å; F182-F192 HydrophobicContact CG-CE1 4.01Å; F182-F192 HydrophobicContact CG-CZ 4.4Å; F182-L240 HydrophobicContact CD1-CD1 4.33Å; F182-L240 HydrophobicContact CE1-CD1 3.92Å; F182-E245 CarbonylContact O-C 3.53Å; F182-E245 WeakPolarHBondContact O-CA 3.39Å; F182-V246 HydrophobicContact CB-CB 4.5Å; F182-V246 PolarHBondContact N-O 2.98Å; F182-V246 PolarHBondContact O-N 3.06Å |
| 183 | T | 98.9 | Very high | 98.4 | Very high | 54 Ų | 54 | 39.7 Ų | 39.7 | 33% | 0.331 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 120.2 | 175.7 | -56.2 | 0 | 0 | 0 | 0 | 109.8 | Y174 P185 D244 | Y174-T183 PolarHBondContact O-N 2.83Å; T183-P185 VanDerWaalsContact O-CD 3.31Å; T183-P185 WeakPolarHBondContact O-CD 3.37Å; T183-D244 WeakPolarHBondContact CA-O 3.46Å |
| 184 | C | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | trans | -63.8 | 121.6 | -177.2 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | F182 L186 L240 D241 V242 G243 D244 | F182-C184 HydrophobicContact CE1-CB 4.3Å; C184-L186 PolarHBondContact SG-O 3.27Å; C184-L240 HydrophobicContact CB-CB 3.92Å; C184-L240 HydrophobicContact CB-CD1 4.09Å; C184-L240 VanDerWaalsContact SG-CB 3.52Å; C184-D241 WeakPolarHBondContact CB-O 3.31Å; C184-D241 PolarHBondContact SG-O 2.7Å; C184-V242 WeakPolarHBondContact O-CA 3.38Å; C184-G243 PolarHBondContact O-N 3.42Å; C184-D244 HydrophobicContact CB-CB 4.09Å; C184-D244 WeakPolarHBondContact CB-O 3.28Å; C184-D244 PolarHBondContact N-O 2.9Å | ||
| 185 | P | 98 | Very high | 98.4 | Very high | 33 Ų | 33 | 32.6 Ų | 32.6 | 21% | 0.214 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -95.9 | -15 | 178.8 | 39.1 | -38.9 | 0 | 0 | 0 | 113.7 | I146 Y174 T183 | I146-P185 HydrophobicContact CD1-CG 3.44Å; I146-P185 VanDerWaalsContact CD1-CG 3.44Å; I146-P185 HydrophobicContact CG1-CG 4.39Å; Y174-P185 HydrophobicContact CD1-CB 3.56Å; Y174-P185 HydrophobicContact CD1-CG 3.8Å; Y174-P185 HydrophobicContact CD2-CB 4.24Å; Y174-P185 HydrophobicContact CD2-CG 3.63Å; Y174-P185 HydrophobicContact CE1-CB 3.21Å; Y174-P185 HydrophobicContact CE1-CG 3.75Å; Y174-P185 HydrophobicContact CE2-CB 3.91Å; Y174-P185 HydrophobicContact CE2-CG 3.52Å; Y174-P185 HydrophobicContact CG-CB 4.06Å; Y174-P185 HydrophobicContact CG-CG 3.74Å; T183-P185 VanDerWaalsContact O-CD 3.31Å; T183-P185 WeakPolarHBondContact O-CD 3.37Å |
| 186 | L | 97.6 | Very high | 98.2 | Very high | 60 Ų | 60 | 32.4 Ų | 32.4 | 31% | 0.314 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -152 | 129.8 | -168.6 | -174.9 | 75 | 0 | 0 | 0 | 108.9 | P144 I146 C184 Y190 L270 P273 | P144-L186 HydrophobicContact CB-CD2 3.63Å; P144-L186 HydrophobicContact CG-CD2 3.59Å; I146-L186 HydrophobicContact CD1-CB 4.36Å; C184-L186 PolarHBondContact SG-O 3.27Å; L186-Y190 WeakPolarHBondContact O-CE2 3.46Å; L186-Y190 PolarHBondContact O-OH 2.94Å; L186-L270 HydrophobicContact CD2-CD2 4.33Å; L186-P273 HydrophobicContact CD2-CB 3.77Å; L186-P273 HydrophobicContact CG-CB 4.47Å |
| 187 | P | 98.5 | Very high | 98 | Very high | 40 Ų | 40 | 29.1 Ų | 29.1 | 26% | 0.26 | 16% | 0.162 | S | C | . | . | trans | -66.8 | 143.2 | -179.2 | 30.6 | -32.2 | 0 | 0 | 0 | 110.8 | L240 D274 | P187-L240 WeakPolarHBondContact CA-O 3.38Å; P187-D274 HydrophobicContact CB-CB 4.49Å; P187-D274 PolarHBondContact O-N 2.86Å; P187-D274 VanDerWaalsContact O-N 3.11Å | ||
| 188 | G | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.1 | -174.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y190 H239 L240 Y272 D274 | G188-Y190 WeakPolarHBondContact O-CD2 2.79Å; G188-H239 WeakPolarHBondContact O-CA 3.13Å; G188-L240 PolarHBondContact N-O 2.75Å; G188-L240 VanDerWaalsContact N-O 3.16Å; G188-L240 PolarHBondContact O-N 3.28Å; G188-Y272 WeakPolarHBondContact CA-O 3.43Å; G188-D274 WeakPolarHBondContact CA-OD1 3.32Å |
| 189 | I | 98.8 | Very high | 97 | Very high | 26 Ų | 26 | 28.2 Ų | 28.2 | 13% | 0.133 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 124.7 | 176.4 | -59 | -56.6 | 0 | 0 | 0 | 110.1 | I237 H239 I271 Y272 | I189-I237 HydrophobicContact CG2-CG2 3.32Å; I189-H239 HydrophobicContact CD1-CB 3.59Å; I189-I271 HydrophobicContact CG2-CB 4.42Å; I189-I271 HydrophobicContact CG2-CD1 3.92Å; I189-I271 HydrophobicContact CG2-CG1 4.35Å; I189-I271 WeakPolarHBondContact O-CB 3.37Å; I189-I271 PolarHBondContact O-N 3.05Å; I189-Y272 HydrophobicContact CB-CD2 4.13Å; I189-Y272 HydrophobicContact CB-CE1 4.18Å; I189-Y272 HydrophobicContact CB-CE2 3.7Å; I189-Y272 HydrophobicContact CG1-CD2 4.01Å; I189-Y272 HydrophobicContact CG1-CE1 4.42Å; I189-Y272 HydrophobicContact CG1-CE2 3.23Å; I189-Y272 VanDerWaalsContact CG1-CZ 3.48Å; I189-Y272 HydrophobicContact CG2-CE1 4.39Å; I189-Y272 PolarHBondContact N-O 3.05Å; I189-Y272 PolarHBondContact O-N 3.08Å |
| 190 | Y | 98.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 144.9 | -177.8 | -68.9 | -99.6 | 0 | 0 | 0 | 111.1 | I146 F182 L186 G188 F192 I237 L238 L240 F269 L270 | I146-Y190 HydrophobicContact CD1-CE1 4.31Å; I146-Y190 HydrophobicContact CG2-CE1 4.22Å; F182-Y190 HydrophobicContact CE1-CD1 4.22Å; F182-Y190 HydrophobicContact CE1-CE1 4.12Å; F182-Y190 HydrophobicContact CZ-CD1 4.03Å; F182-Y190 AromaticContact CZ-CE1 3.69Å; F182-Y190 HydrophobicContact CZ-CE1 3.69Å; L186-Y190 WeakPolarHBondContact O-CE2 3.46Å; L186-Y190 PolarHBondContact O-OH 2.94Å; G188-Y190 WeakPolarHBondContact O-CD2 2.79Å; Y190-F192 VanDerWaalsContact CB-CE2 3.44Å; Y190-F192 HydrophobicContact CD1-CZ 4.46Å; Y190-F192 HydrophobicContact CG-CE2 4.38Å; Y190-F192 HydrophobicContact CG-CZ 4.36Å; Y190-I237 CarbonylContact O-C 3.46Å; Y190-I237 VanDerWaalsContact O-CA 3.31Å; Y190-I237 WeakPolarHBondContact O-CA 3.43Å; Y190-L238 PolarHBondContact N-O 3.34Å; Y190-L238 PolarHBondContact O-N 2.76Å; Y190-L240 HydrophobicContact CD1-CD1 4.49Å; Y190-L240 HydrophobicContact CD2-CB 3.88Å; Y190-L240 HydrophobicContact CD2-CD1 3.71Å; Y190-L240 HydrophobicContact CD2-CG 3.84Å; Y190-L240 HydrophobicContact CE2-CB 4.02Å; Y190-L240 HydrophobicContact CE2-CD1 4.22Å; Y190-L240 HydrophobicContact CE2-CG 4.43Å; Y190-L240 HydrophobicContact CG-CD1 3.86Å; Y190-L240 HydrophobicContact CG-CG 4.37Å; Y190-F269 WeakPolarHBondContact CA-O 3.36Å; Y190-L270 HydrophobicContact CD1-CB 4.08Å; Y190-L270 HydrophobicContact CD1-CD1 4.3Å; Y190-L270 HydrophobicContact CD2-CD1 4.2Å; Y190-L270 HydrophobicContact CE1-CB 3.73Å; Y190-L270 HydrophobicContact CE1-CD1 3.85Å; Y190-L270 HydrophobicContact CE1-CG 4.39Å; Y190-L270 HydrophobicContact CE2-CD1 3.74Å; Y190-L270 HydrophobicContact CG-CD1 4.46Å |
| 191 | Y | 98.9 | Very high | 94.3 | Very high | 64 Ų | 64 | 26.6 Ų | 26.6 | 25% | 0.251 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 139.7 | 168.4 | 175.4 | -99.3 | 0 | 0 | 0 | 109.9 | T193 I237 G268 F269 | Y191-T193 HydrophobicContact CE1-CG2 3.74Å; Y191-T193 WeakPolarHBondContact OH-CB 3.17Å; Y191-I237 HydrophobicContact CD2-CG1 4.02Å; Y191-G268 CarbonylContact O-C 3.57Å; Y191-G268 WeakPolarHBondContact O-CA 3.38Å; Y191-F269 AromaticContact CD1-CD1 3.98Å; Y191-F269 HydrophobicContact CD1-CD1 3.98Å; Y191-F269 AromaticContact CD1-CE1 3.3Å; Y191-F269 HydrophobicContact CD1-CE1 3.3Å; Y191-F269 AromaticContact CD1-CZ 3.78Å; Y191-F269 HydrophobicContact CD1-CZ 3.78Å; Y191-F269 HydrophobicContact CE1-CE1 4.06Å; Y191-F269 AromaticContact CG-CE1 3.98Å; Y191-F269 HydrophobicContact CG-CE1 3.98Å; Y191-F269 HydrophobicContact CG-CZ 4Å; Y191-F269 PolarHBondContact N-O 3.02Å; Y191-F269 PolarHBondContact O-N 2.94Å |
| 192 | F | 98.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 143.6 | 170.7 | -60.3 | -86.4 | 0 | 0 | 0 | 110.6 | F148 F182 Y190 L210 S235 V236 L240 V246 F266 S267 | F148-F192 HydrophobicContact CE1-CD1 4.05Å; F148-F192 AromaticContact CE1-CE1 3.85Å; F148-F192 HydrophobicContact CE1-CE1 3.85Å; F148-F192 HydrophobicContact CZ-CD1 4.16Å; F148-F192 HydrophobicContact CZ-CE1 4.29Å; F182-F192 HydrophobicContact CB-CE1 4.3Å; F182-F192 AromaticContact CD1-CE1 3.84Å; F182-F192 HydrophobicContact CD1-CE1 3.84Å; F182-F192 AromaticContact CD1-CZ 3.76Å; F182-F192 HydrophobicContact CD1-CZ 3.76Å; F182-F192 HydrophobicContact CE1-CE1 4.33Å; F182-F192 AromaticContact CE1-CZ 3.97Å; F182-F192 HydrophobicContact CE1-CZ 3.97Å; F182-F192 HydrophobicContact CG-CE1 4.01Å; F182-F192 HydrophobicContact CG-CZ 4.4Å; Y190-F192 VanDerWaalsContact CB-CE2 3.44Å; Y190-F192 HydrophobicContact CD1-CZ 4.46Å; Y190-F192 HydrophobicContact CG-CE2 4.38Å; Y190-F192 HydrophobicContact CG-CZ 4.36Å; F192-L210 HydrophobicContact CB-CD1 3.6Å; F192-L210 HydrophobicContact CG-CD1 4.32Å; F192-S235 CarbonylContact O-C 3.56Å; F192-S235 WeakPolarHBondContact O-CA 3.32Å; F192-S235 VanDerWaalsContact O-CB 3.32Å; F192-S235 WeakPolarHBondContact O-CB 3.17Å; F192-V236 HydrophobicContact CB-CG1 4.17Å; F192-V236 HydrophobicContact CD2-CG1 4.44Å; F192-V236 PolarHBondContact N-O 2.91Å; F192-V236 PolarHBondContact O-N 3.4Å; F192-L240 HydrophobicContact CE2-CD1 3.82Å; F192-L240 HydrophobicContact CZ-CD1 3.7Å; F192-V246 HydrophobicContact CD1-CG1 4.1Å; F192-V246 HydrophobicContact CD2-CG1 4.3Å; F192-V246 HydrophobicContact CE1-CB 4.14Å; F192-V246 HydrophobicContact CE1-CG1 4.09Å; F192-V246 HydrophobicContact CE1-CG2 4.45Å; F192-V246 HydrophobicContact CE2-CB 4.49Å; F192-V246 HydrophobicContact CE2-CG1 4.3Å; F192-V246 HydrophobicContact CE2-CG2 4.04Å; F192-V246 HydrophobicContact CG-CG1 4.21Å; F192-V246 HydrophobicContact CZ-CB 4.08Å; F192-V246 HydrophobicContact CZ-CG1 4.21Å; F192-V246 HydrophobicContact CZ-CG2 3.88Å; F192-F266 HydrophobicContact CB-CE2 4.2Å; F192-F266 HydrophobicContact CD1-CE2 4.06Å; F192-F266 AromaticContact CD1-CZ 3.95Å; F192-F266 HydrophobicContact CD1-CZ 3.95Å; F192-S267 WeakPolarHBondContact CA-O 3.45Å |
| 193 | T | 98.9 | Very high | 90.9 | Very high | 17 Ų | 17 | 32.6 Ų | 32.6 | 10% | 0.104 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 144.4 | 169.8 | -172.4 | 0 | 0 | 0 | 0 | 110.7 | Y191 N234 F266 S267 | Y191-T193 HydrophobicContact CE1-CG2 3.74Å; Y191-T193 WeakPolarHBondContact OH-CB 3.17Å; T193-N234 PolarHBondContact OG1-O 2.99Å; T193-F266 WeakPolarHBondContact O-CD2 3.29Å; T193-S267 WeakPolarHBondContact CG2-OG 3.44Å; T193-S267 PolarHBondContact N-O 3.18Å; T193-S267 PolarHBondContact O-N 3.47Å |
| 194 | Y | 98.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 148.4 | 175 | 64.5 | -85.4 | 0 | 0 | 0 | 110.7 | V196 A208 L210 A220 S233 N234 V248 T265 | Y194-V196 HydrophobicContact CD2-CG2 3.97Å; Y194-A208 HydrophobicContact CD2-CB 4.07Å; Y194-A208 HydrophobicContact CE2-CB 3.51Å; Y194-A208 PolarHBondContact OH-O 3.4Å; Y194-L210 HydrophobicContact CD1-CB 4.05Å; Y194-L210 HydrophobicContact CD1-CD1 4.05Å; Y194-L210 HydrophobicContact CE1-CB 3.64Å; Y194-L210 HydrophobicContact CE1-CD1 4.31Å; Y194-A220 HydrophobicContact CE2-CB 4.25Å; Y194-A220 PolarHBondContact OH-N 3.38Å; Y194-S233 VanDerWaalsContact O-CA 3.27Å; Y194-S233 WeakPolarHBondContact O-CA 3.46Å; Y194-S233 WeakPolarHBondContact O-CB 3.44Å; Y194-N234 WeakPolarHBondContact CD1-O 3.49Å; Y194-N234 HydrophobicContact CE1-CB 3.67Å; Y194-N234 HydrophobicContact CE2-CB 4.37Å; Y194-N234 PolarHBondContact N-O 3.29Å; Y194-N234 PolarHBondContact O-N 3.46Å; Y194-N234 VanDerWaalsContact OH-CB 3.32Å; Y194-N234 WeakPolarHBondContact OH-CB 3.41Å; Y194-V248 HydrophobicContact CD1-CG2 4.16Å; Y194-V248 HydrophobicContact CD2-CG1 4.22Å; Y194-V248 HydrophobicContact CG-CG1 4.38Å; Y194-V248 HydrophobicContact CG-CG2 3.94Å; Y194-T265 WeakPolarHBondContact CA-O 3.44Å |
| 195 | H | 98.2 | Very high | 88.7 | Confident | 77 Ų | 77 | 35 Ų | 35 | 36% | 0.356 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 117.2 | 173.3 | -60 | -80.3 | 0 | 0 | 0 | 106.7 | Y231 S233 S264 T265 | H195-Y231 HydrophobicContact CB-CD1 4.16Å; H195-Y231 HydrophobicContact CB-CE1 3.98Å; H195-S233 VanDerWaalsContact ND1-CB 3.29Å; H195-S233 WeakPolarHBondContact ND1-CB 3.23Å; H195-S233 PolarHBondContact ND1-OG 3.18Å; H195-S264 CarbonylContact O-C 3.56Å; H195-S264 VanDerWaalsContact O-CA 3.23Å; H195-S264 WeakPolarHBondContact O-CA 3.46Å; H195-T265 PolarHBondContact N-O 2.97Å; H195-T265 PolarHBondContact O-N 3.39Å |
| 196 | V | 96.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 114.8 | -175.1 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | L162 F164 Y194 M198 A208 Y231 A232 V248 V255 | L162-V196 HydrophobicContact CD1-CG1 3.94Å; L162-V196 HydrophobicContact CD1-CG2 3.92Å; F164-V196 HydrophobicContact CZ-CG2 4.26Å; Y194-V196 HydrophobicContact CD2-CG2 3.97Å; V196-M198 HydrophobicContact CB-CE 3.97Å; V196-M198 HydrophobicContact CB-CG 4.43Å; V196-M198 HydrophobicContact CG1-CE 3.53Å; V196-M198 HydrophobicContact CG1-CG 3.78Å; V196-M198 PolarHBondContact O-N 3.31Å; V196-A208 HydrophobicContact CB-CB 4.3Å; V196-A208 HydrophobicContact CG2-CB 4.09Å; V196-Y231 WeakPolarHBondContact O-CA 3.45Å; V196-Y231 WeakPolarHBondContact O-CD1 3.46Å; V196-A232 PolarHBondContact N-O 3.15Å; V196-A232 PolarHBondContact O-N 3.21Å; V196-V248 HydrophobicContact CG2-CG1 4.39Å; V196-V255 HydrophobicContact CG1-CB 4.15Å; V196-V255 HydrophobicContact CG1-CG1 3.39Å; V196-V255 HydrophobicContact CG1-CG2 3.58Å |
| 197 | L | 93.7 | Very high | 87.8 | Confident | 20 Ų | 20 | 34.7 Ų | 34.7 | 11% | 0.105 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 107.3 | 172.5 | 177.9 | 65.6 | 0 | 0 | 0 | 108.4 | Y229 Y231 H256 Y263 S264 | L197-Y229 HydrophobicContact CD1-CD1 3.98Å; L197-Y229 HydrophobicContact CD1-CG 4.43Å; L197-Y229 HydrophobicContact CD2-CD1 4.21Å; L197-Y229 HydrophobicContact CG-CD1 3.99Å; L197-Y231 HydrophobicContact CB-CE1 4.03Å; L197-Y231 HydrophobicContact CB-CE2 4.31Å; L197-Y231 HydrophobicContact CD1-CD2 4.1Å; L197-Y231 HydrophobicContact CD1-CE2 3.77Å; L197-H256 HydrophobicContact CD2-CB 4.2Å; L197-H256 HydrophobicContact CG-CB 4.48Å; L197-H256 PolarHBondContact O-N 3Å; L197-Y263 HydrophobicContact CD2-CD1 3.91Å; L197-Y263 HydrophobicContact CD2-CG 3.99Å; L197-S264 PolarHBondContact N-OG 3.43Å |
| 198 | M | 89.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 151.4 | -177.6 | -61 | -172 | 166.6 | 0 | 0 | 110.8 | V196 M206 A208 A222 Y229 D230 A232 L250 K254 V255 | V196-M198 HydrophobicContact CB-CE 3.97Å; V196-M198 HydrophobicContact CB-CG 4.43Å; V196-M198 HydrophobicContact CG1-CE 3.53Å; V196-M198 HydrophobicContact CG1-CG 3.78Å; V196-M198 PolarHBondContact O-N 3.31Å; M198-M206 HydrophobicContact CB-CE 3.53Å; M198-M206 HydrophobicContact CB-SD 3.83Å; M198-M206 HydrophobicContact SD-CB 3.7Å; M198-M206 HydrophobicContact SD-CE 4.39Å; M198-M206 HydrophobicContact SD-SD 4.42Å; M198-A208 HydrophobicContact CE-CB 3.35Å; M198-A222 HydrophobicContact SD-CB 4.14Å; M198-Y229 VanDerWaalsContact O-CA 3.32Å; M198-Y229 WeakPolarHBondContact O-CA 3.35Å; M198-D230 PolarHBondContact N-O 3.32Å; M198-D230 PolarHBondContact O-N 3.2Å; M198-A232 HydrophobicContact CE-CB 3.63Å; M198-A232 HydrophobicContact CG-CB 4.45Å; M198-A232 HydrophobicContact SD-CB 3.61Å; M198-L250 HydrophobicContact CE-CD1 3.4Å; M198-L250 HydrophobicContact SD-CD1 4.25Å; M198-K254 CarbonylContact C-O 3.55Å; M198-K254 WeakPolarHBondContact CA-O 3.5Å; M198-V255 HydrophobicContact CE-CG2 4.5Å; M198-V255 HydrophobicContact CG-CG2 4.36Å |
| 199 | R | 84.3 | Confident | 87.7 | Confident | 96 Ų | 96 | 33.8 Ų | 33.8 | 36% | 0.362 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 117.3 | 167.2 | -172.6 | 179.6 | 179.3 | 176 | -6.9 | 109.2 | Q227 Y229 K254 | R199-Q227 PolarHBondContact NE-O 3.17Å; R199-Y229 HydrophobicContact CB-CD1 4.04Å; R199-Y229 HydrophobicContact CB-CE1 3.83Å; R199-Y229 HydrophobicContact CG-CD1 4.48Å; R199-Y229 HydrophobicContact CG-CE1 4.21Å; R199-K254 PolarHBondContact N-O 3.45Å; R199-K254 PolarHBondContact O-N 3.38Å |
| 200 | G | 70 | Confident | 87.7 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | trans | -66.8 | 151.6 | 180 | 0 | 0 | 0 | 0 | 0 | 113 | M206 Q227 N228 | G200-M206 VanDerWaalsContact CA-CE 3.41Å; G200-M206 WeakPolarHBondContact CA-SD 3.27Å; G200-M206 VanDerWaalsContact N-CE 3.34Å; G200-Q227 WeakPolarHBondContact O-CA 3.35Å; G200-Q227 VanDerWaalsContact O-CD 3.32Å; G200-Q227 PolarHBondContact O-OE1 3.01Å; G200-N228 PolarHBondContact N-O 2.83Å | ||
| 201 | G | 67.3 | Low | 87.7 | Confident | 20 Ų | 20 | 34 Ų | 34 | 21% | 0.206 | 18% | 0.18 | C | C | . | . | trans | -86.6 | 176 | 157.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G203 T204 Q227 | G201-G203 PolarHBondContact O-N 3.26Å; G201-T204 PolarHBondContact O-N 2.99Å; G201-Q227 VanDerWaalsContact CA-NE2 3.29Å | ||
| 202 | D | 63.6 | Low | 87.7 | Confident | 135 Ų | 135 | 32.8 Ų | 32.8 | 72% | 0.722 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 89.3 | -177.9 | -60 | -22.8 | 0 | 0 | 0 | 112.6 | T204 Q227 | D202-T204 VanDerWaalsContact C-N 3.29Å; D202-T204 PolarHBondContact O-N 3.46Å; D202-Q227 WeakPolarHBondContact OD1-CG 3.21Å; D202-Q227 PolarHBondContact OD1-NE2 2.91Å |
| 203 | G | 62.2 | Low | 87.6 | Confident | 39 Ų | 39 | 36.9 Ų | 36.9 | 40% | 0.402 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 11.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | G201 | G201-G203 PolarHBondContact O-N 3.26Š|
| 204 | T | 72.8 | Confident | 87.5 | Confident | 77 Ų | 77 | 38.8 Ų | 38.8 | 47% | 0.472 | 22% | 0.221 | S | C | . | . | trans | -88 | 123.6 | 179 | 55 | 0 | 0 | 0 | 0 | 111.8 | G201 D202 | G201-T204 PolarHBondContact O-N 2.99Å; D202-T204 VanDerWaalsContact C-N 3.29Å; D202-T204 PolarHBondContact O-N 3.46Å | ||
| 205 | S | 78.6 | Confident | 87.5 | Confident | 30 Ų | 30 | 44.9 Ų | 44.9 | 21% | 0.21 | 25% | 0.249 | C | C | . | . | trans | -60.3 | 145 | 169.4 | -57 | 0 | 0 | 0 | 0 | 111.4 | W207 Q223 | S205-W207 VanDerWaalsContact CB-CZ2 3.43Å; S205-W207 VanDerWaalsContact O-CZ3 3.28Å; S205-W207 WeakPolarHBondContact O-CZ3 3.44Å; S205-Q223 VanDerWaalsContact OG-CD 3.27Å; S205-Q223 PolarHBondContact OG-OE1 3.1Å | ||
| 206 | M | 86.9 | Confident | 87.5 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 145.1 | 175.6 | -54.3 | 171.4 | -71.6 | 0 | 0 | 109.1 | M198 G200 I221 A222 G253 | M198-M206 HydrophobicContact CB-CE 3.53Å; M198-M206 HydrophobicContact CB-SD 3.83Å; M198-M206 HydrophobicContact SD-CB 3.7Å; M198-M206 HydrophobicContact SD-CE 4.39Å; M198-M206 HydrophobicContact SD-SD 4.42Å; G200-M206 VanDerWaalsContact CA-CE 3.41Å; G200-M206 WeakPolarHBondContact CA-SD 3.27Å; G200-M206 VanDerWaalsContact N-CE 3.34Å; M206-I221 WeakPolarHBondContact O-CA 3.3Å; M206-A222 HydrophobicContact CE-CB 4.07Å; M206-A222 PolarHBondContact N-O 3.42Å; M206-A222 PolarHBondContact O-N 3.42Å; M206-G253 VanDerWaalsContact SD-CA 3.53Å |
| 207 | W | 91.7 | Very high | 87.6 | Confident | 86 Ų | 86 | 50.7 Ų | 50.7 | 33% | 0.326 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 140.9 | 178.2 | -57.4 | -97.6 | 0 | 0 | 0 | 111.5 | S205 A220 I221 L250 D251 | S205-W207 VanDerWaalsContact CB-CZ2 3.43Å; S205-W207 VanDerWaalsContact O-CZ3 3.28Å; S205-W207 WeakPolarHBondContact O-CZ3 3.44Å; W207-A220 VanDerWaalsContact CA-O 3.31Å; W207-A220 WeakPolarHBondContact CA-O 3.46Å; W207-I221 HydrophobicContact CZ2-CD1 4.02Å; W207-L250 CarbonylContact O-C 3.6Å; W207-L250 WeakPolarHBondContact O-CA 3.49Å; W207-D251 HydrophobicContact CB-CB 4.18Å; W207-D251 HydrophobicContact CE3-CB 4.17Å; W207-D251 PolarHBondContact N-O 3.07Å; W207-D251 PolarHBondContact O-N 3.37Å |
| 208 | A | 95.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 116.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | Y194 V196 M198 A220 A232 V248 | Y194-A208 HydrophobicContact CD2-CB 4.07Å; Y194-A208 HydrophobicContact CE2-CB 3.51Å; Y194-A208 PolarHBondContact OH-O 3.4Å; V196-A208 HydrophobicContact CB-CB 4.3Å; V196-A208 HydrophobicContact CG2-CB 4.09Å; M198-A208 HydrophobicContact CE-CB 3.35Å; A208-A220 PolarHBondContact N-O 3.22Å; A208-A220 PolarHBondContact O-N 3.36Å; A208-A232 HydrophobicContact CB-CB 3.92Å; A208-V248 HydrophobicContact CB-CG1 4.04Å |
| 209 | D | 97.6 | Very high | 88.2 | Confident | 21 Ų | 21 | 52.7 Ų | 52.7 | 11% | 0.112 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 121.8 | -178.7 | -72.8 | -14.7 | 0 | 0 | 0 | 110.2 | K211 V216 S219 V248 Q249 | D209-K211 HydrophobicContact CB-CG 4.28Å; D209-V216 HydrophobicContact CB-CG1 4.18Å; D209-V216 HydrophobicContact CB-CG2 4.06Å; D209-V216 WeakPolarHBondContact OD2-CG2 3.44Å; D209-S219 WeakPolarHBondContact OD1-CB 3.34Å; D209-S219 PolarHBondContact OD1-OG 3.44Å; D209-V248 CarbonylContact O-C 3.5Å; D209-V248 WeakPolarHBondContact O-CA 3.43Å; D209-Q249 PolarHBondContact N-O 3.46Å; D209-Q249 PolarHBondContact O-N 3.05Å |
| 210 | L | 98.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 119.6 | 164.2 | -175.6 | 154.8 | 0 | 0 | 0 | 109.1 | F192 Y194 R217 A218 V236 L238 V246 C247 F266 | F192-L210 HydrophobicContact CB-CD1 3.6Å; F192-L210 HydrophobicContact CG-CD1 4.32Å; Y194-L210 HydrophobicContact CD1-CB 4.05Å; Y194-L210 HydrophobicContact CD1-CD1 4.05Å; Y194-L210 HydrophobicContact CE1-CB 3.64Å; Y194-L210 HydrophobicContact CE1-CD1 4.31Å; L210-R217 HydrophobicContact CD2-CB 4.2Å; L210-R217 PolarHBondContact O-N 2.92Å; L210-A218 HydrophobicContact CB-CB 4.38Å; L210-A218 PolarHBondContact N-O 3.3Å; L210-A218 PolarHBondContact O-N 3.33Å; L210-V236 HydrophobicContact CD1-CG1 3.84Å; L210-V236 HydrophobicContact CD2-CG1 3.75Å; L210-V236 HydrophobicContact CG-CG1 4.41Å; L210-L238 HydrophobicContact CD2-CD1 4.06Å; L210-V246 HydrophobicContact CD1-CG1 4.21Å; L210-V246 HydrophobicContact CD2-CG1 3.69Å; L210-V246 HydrophobicContact CG-CG1 3.91Å; L210-C247 CarbonylContact C-O 3.49Å; L210-C247 WeakPolarHBondContact CA-O 3.37Å; L210-F266 HydrophobicContact CD1-CE2 4.03Å |
| 211 | K | 98.8 | Very high | 89.9 | Confident | 30 Ų | 30 | 53.1 Ų | 53.1 | 13% | 0.13 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 136.5 | -177.1 | -65.4 | -175.3 | 176.9 | -175.2 | 0 | 111.6 | D209 Q215 V216 V246 C247 Q249 | D209-K211 HydrophobicContact CB-CG 4.28Å; K211-Q215 CarbonylContact C-O 3.22Å; K211-Q215 WeakPolarHBondContact CA-O 3.48Å; K211-V216 HydrophobicContact CD-CG2 4.44Å; K211-V216 HydrophobicContact CG-CG2 4.11Å; K211-V246 VanDerWaalsContact O-CA 3.28Å; K211-V246 WeakPolarHBondContact O-CA 3.15Å; K211-C247 PolarHBondContact N-O 3.01Å; K211-C247 PolarHBondContact O-N 3.3Å; K211-Q249 HydrophobicContact CD-CB 4.11Å |
| 212 | K | 98.8 | Very high | 90.7 | Very high | 39 Ų | 39 | 52.2 Ų | 52.2 | 17% | 0.17 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 118 | 165 | 178.2 | -175.5 | 177.8 | 171.9 | 0 | 107.9 | G214 Q215 R217 L238 H239 L240 D244 E245 | K212-G214 PolarHBondContact O-N 2.97Å; K212-G214 VanDerWaalsContact O-N 3.15Å; K212-Q215 PolarHBondContact N-O 3.23Å; K212-Q215 PolarHBondContact O-N 3.26Å; K212-R217 HydrophobicContact CB-CG 3.56Å; K212-L238 HydrophobicContact CB-CD1 4.47Å; K212-H239 PolarHBondContact NZ-O 3.49Å; K212-L240 HydrophobicContact CD-CD2 3.78Å; K212-L240 HydrophobicContact CG-CD2 4.15Å; K212-D244 WeakPolarHBondContact CE-OD2 3.32Å; K212-D244 IonicContact NZ-OD2 3.49Å; K212-D244 PolarHBondContact NZ-OD2 3.35Å; K212-E245 CarbonylContact C-O 3.58Å; K212-E245 WeakPolarHBondContact CA-O 3.45Å |
| 213 | N | 98.3 | Very high | 91.5 | Very high | 85 Ų | 85 | 51.4 Ų | 51.4 | 46% | 0.455 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48 | 42.4 | -178.9 | -58.7 | -21.2 | 0 | 0 | 0 | 113.3 | Q215 D244 E245 | N213-Q215 VanDerWaalsContact C-N 3.28Å; N213-Q215 PolarHBondContact O-N 2.93Å; N213-D244 PolarHBondContact ND2-OD1 3.03Å; N213-D244 WeakPolarHBondContact OD1-CA 3.45Å; N213-E245 PolarHBondContact N-O 3.45Å; N213-E245 PolarHBondContact OD1-N 3.12Å |
| 214 | G | 96.8 | Very high | 91.9 | Very high | 57 Ų | 57 | 51.6 Ų | 51.6 | 59% | 0.588 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | -8.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116 | K212 | K212-G214 PolarHBondContact O-N 2.97Å; K212-G214 VanDerWaalsContact O-N 3.15Å |
| 215 | Q | 98.1 | Very high | 91.5 | Very high | 129 Ų | 129 | 51.1 Ų | 51.1 | 60% | 0.603 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 130.9 | 175.2 | -64.4 | -173.3 | 9.9 | 0 | 0 | 111.7 | K211 K212 N213 R217 | K211-Q215 CarbonylContact C-O 3.22Å; K211-Q215 WeakPolarHBondContact CA-O 3.48Å; K212-Q215 PolarHBondContact N-O 3.23Å; K212-Q215 PolarHBondContact O-N 3.26Å; N213-Q215 VanDerWaalsContact C-N 3.28Å; N213-Q215 PolarHBondContact O-N 2.93Å; Q215-R217 PolarHBondContact O-N 2.93Å |
| 216 | V | 98.3 | Very high | 91 | Very high | 69 Ų | 69 | 56 Ų | 56 | 42% | 0.418 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 126.3 | 175.4 | -177.4 | 0 | 0 | 0 | 0 | 110 | D209 K211 | D209-V216 HydrophobicContact CB-CG1 4.18Å; D209-V216 HydrophobicContact CB-CG2 4.06Å; D209-V216 WeakPolarHBondContact OD2-CG2 3.44Å; K211-V216 HydrophobicContact CD-CG2 4.44Å; K211-V216 HydrophobicContact CG-CG2 4.11Å |
| 217 | R | 98.6 | Very high | 90.2 | Very high | 130 Ų | 130 | 59.4 Ų | 59.4 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | -28.4 | 176.7 | -54.2 | -51.7 | -63.6 | 176.8 | -2.1 | 112.5 | L210 K212 Q215 L238 | L210-R217 HydrophobicContact CD2-CB 4.2Å; L210-R217 PolarHBondContact O-N 2.92Å; K212-R217 HydrophobicContact CB-CG 3.56Å; Q215-R217 PolarHBondContact O-N 2.93Å; R217-L238 HydrophobicContact CB-CD1 4.11Å; R217-L238 HydrophobicContact CB-CD2 4.1Å; R217-L238 HydrophobicContact CG-CD1 4.05Å; R217-L238 HydrophobicContact CG-CD2 4.22Å |
| 218 | A | 98.4 | Very high | 89.6 | Confident | 12 Ų | 12 | 59.5 Ų | 59.5 | 10% | 0.099 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 145.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | L210 N234 V236 | L210-A218 HydrophobicContact CB-CB 4.38Å; L210-A218 PolarHBondContact N-O 3.3Å; L210-A218 PolarHBondContact O-N 3.33Å; A218-N234 HydrophobicContact CB-CB 4.33Å; A218-V236 HydrophobicContact CB-CB 4.19Å |
| 219 | S | 97.6 | Very high | 89.2 | Confident | 49 Ų | 49 | 64.5 Ų | 64.5 | 34% | 0.343 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 147 | 179.3 | -175.8 | 0 | 0 | 0 | 0 | 109.1 | D209 N234 | D209-S219 WeakPolarHBondContact OD1-CB 3.34Å; D209-S219 PolarHBondContact OD1-OG 3.44Å; S219-N234 PolarHBondContact O-ND2 3.39Å |
| 220 | A | 96.4 | Very high | 88.9 | Confident | 11 Ų | 11 | 66.7 Ų | 66.7 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 134.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y194 W207 A208 A232 S233 N234 | Y194-A220 HydrophobicContact CE2-CB 4.25Å; Y194-A220 PolarHBondContact OH-N 3.38Å; W207-A220 VanDerWaalsContact CA-O 3.31Å; W207-A220 WeakPolarHBondContact CA-O 3.46Å; A208-A220 PolarHBondContact N-O 3.22Å; A208-A220 PolarHBondContact O-N 3.36Å; A220-A232 HydrophobicContact CB-CB 3.82Å; A220-S233 WeakPolarHBondContact CB-O 3.36Å; A220-N234 HydrophobicContact CB-CB 4.27Å |
| 221 | I | 91.9 | Very high | 88.6 | Confident | 96 Ų | 96 | 71 Ų | 71 | 49% | 0.492 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 137.3 | 177.1 | -171.3 | 175.1 | 0 | 0 | 0 | 109.2 | M206 W207 | M206-I221 WeakPolarHBondContact O-CA 3.3Å; W207-I221 HydrophobicContact CZ2-CD1 4.02Å |
| 222 | A | 85.4 | Confident | 88.4 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.008 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 130 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108 | M198 M206 D230 A232 | M198-A222 HydrophobicContact SD-CB 4.14Å; M206-A222 HydrophobicContact CE-CB 4.07Å; M206-A222 PolarHBondContact N-O 3.42Å; M206-A222 PolarHBondContact O-N 3.42Å; A222-D230 HydrophobicContact CB-CB 4.14Å; A222-A232 HydrophobicContact CB-CB 4.24Å |
| 223 | Q | 80.8 | Confident | 88.4 | Confident | 117 Ų | 117 | 69.9 Ų | 69.9 | 55% | 0.547 | 38% | 0.376 | S | S | . | . | trans | -142.8 | 118.8 | 178.6 | -176 | 176.7 | 6.5 | 0 | 0 | 109.1 | S205 | S205-Q223 VanDerWaalsContact OG-CD 3.27Å; S205-Q223 PolarHBondContact OG-OE1 3.1Å | ||
| 224 | D | 70.4 | Confident | 88.4 | Confident | 43 Ų | 43 | 68.9 Ų | 68.9 | 23% | 0.23 | 37% | 0.37 | C | S | . | . | trans | -125.9 | 145.1 | 171 | -156.5 | -40.7 | 0 | 0 | 0 | 108.8 | D226 N228 | D224-D226 VanDerWaalsContact C-N 3.35Å; D224-D226 PolarHBondContact OD1-N 3.46Å; D224-D226 VanDerWaalsContact OD1-N 3.15Å; D224-N228 HydrophobicContact CB-CB 4.18Å; D224-N228 WeakPolarHBondContact OD2-CB 3.48Å; D224-N228 PolarHBondContact OD2-ND2 3.28Å | ||
| 225 | A | 64 | Low | 88.5 | Confident | 68 Ų | 68 | 68.7 Ų | 68.7 | 56% | 0.562 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -74 | -30.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 226 | D | 67.8 | Low | 88.5 | Confident | 131 Ų | 131 | 63.7 Ų | 63.7 | 70% | 0.701 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -121.3 | 62.8 | -163.6 | -65.5 | -29.8 | 0 | 0 | 0 | 113 | D224 N228 | D224-D226 VanDerWaalsContact C-N 3.35Å; D224-D226 PolarHBondContact OD1-N 3.46Å; D224-D226 VanDerWaalsContact OD1-N 3.15Å; D226-N228 WeakPolarHBondContact O-CA 3.28Å; D226-N228 WeakPolarHBondContact O-CB 3.33Å; D226-N228 PolarHBondContact O-N 3.44Å |
| 227 | Q | 70.3 | Confident | 88.5 | Confident | 73 Ų | 73 | 65.5 Ų | 65.5 | 34% | 0.341 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 43.8 | 26.6 | 169.7 | -69.2 | -81.9 | -19.2 | 0 | 0 | 115.8 | R199 G200 G201 D202 | R199-Q227 PolarHBondContact NE-O 3.17Å; G200-Q227 WeakPolarHBondContact O-CA 3.35Å; G200-Q227 VanDerWaalsContact O-CD 3.32Å; G200-Q227 PolarHBondContact O-OE1 3.01Å; G201-Q227 VanDerWaalsContact CA-NE2 3.29Å; D202-Q227 WeakPolarHBondContact OD1-CG 3.21Å; D202-Q227 PolarHBondContact OD1-NE2 2.91Å |
| 228 | N | 79.6 | Confident | 88.5 | Confident | 89 Ų | 89 | 60 Ų | 60 | 48% | 0.476 | 32% | 0.324 | S | S | . | . | trans | -94.8 | 172.3 | -165.7 | -144.3 | 22.3 | 0 | 0 | 0 | 110.1 | G200 D224 D226 | G200-N228 PolarHBondContact N-O 2.83Å; D224-N228 HydrophobicContact CB-CB 4.18Å; D224-N228 WeakPolarHBondContact OD2-CB 3.48Å; D224-N228 PolarHBondContact OD2-ND2 3.28Å; D226-N228 WeakPolarHBondContact O-CA 3.28Å; D226-N228 WeakPolarHBondContact O-CB 3.33Å; D226-N228 PolarHBondContact O-N 3.44Å | ||
| 229 | Y | 87.6 | Confident | 88.6 | Confident | 105 Ų | 105 | 62.8 Ų | 62.8 | 41% | 0.412 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 130.4 | 178.2 | -73 | -84.5 | 0 | 0 | 0 | 111.3 | L197 M198 R199 H256 | L197-Y229 HydrophobicContact CD1-CD1 3.98Å; L197-Y229 HydrophobicContact CD1-CG 4.43Å; L197-Y229 HydrophobicContact CD2-CD1 4.21Å; L197-Y229 HydrophobicContact CG-CD1 3.99Å; M198-Y229 VanDerWaalsContact O-CA 3.32Å; M198-Y229 WeakPolarHBondContact O-CA 3.35Å; R199-Y229 HydrophobicContact CB-CD1 4.04Å; R199-Y229 HydrophobicContact CB-CE1 3.83Å; R199-Y229 HydrophobicContact CG-CD1 4.48Å; R199-Y229 HydrophobicContact CG-CE1 4.21Å; Y229-H256 HydrophobicContact CE1-CB 4.37Å; Y229-H256 AromaticContact CE1-CD2 3.45Å; Y229-H256 VanDerWaalsContact CE1-CD2 3.45Å; Y229-H256 WeakPolarHBondContact CE1-CD2 3.18Å; Y229-H256 AromaticContact CE1-CG 3.88Å; Y229-H256 AromaticContact CE1-NE2 3.85Å |
| 230 | D | 90.2 | Very high | 88.6 | Confident | 66 Ų | 66 | 60.5 Ų | 60.5 | 35% | 0.353 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 162.1 | 175 | -166.2 | 14.9 | 0 | 0 | 0 | 110.9 | M198 A222 | M198-D230 PolarHBondContact N-O 3.32Å; M198-D230 PolarHBondContact O-N 3.2Å; A222-D230 HydrophobicContact CB-CB 4.14Å |
| 231 | Y | 93.1 | Very high | 88.7 | Confident | 91 Ų | 91 | 64 Ų | 64 | 36% | 0.357 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.1 | -178.3 | -95.3 | -82.6 | 0 | 0 | 0 | 112.3 | H195 V196 L197 Y263 | H195-Y231 HydrophobicContact CB-CD1 4.16Å; H195-Y231 HydrophobicContact CB-CE1 3.98Å; V196-Y231 WeakPolarHBondContact O-CA 3.45Å; V196-Y231 WeakPolarHBondContact O-CD1 3.46Å; L197-Y231 HydrophobicContact CB-CE1 4.03Å; L197-Y231 HydrophobicContact CB-CE2 4.31Å; L197-Y231 HydrophobicContact CD1-CD2 4.1Å; L197-Y231 HydrophobicContact CD1-CE2 3.77Å; Y231-Y263 WeakPolarHBondContact CE1-O 3.17Å; Y231-Y263 VanDerWaalsContact CZ-O 3.32Å; Y231-Y263 WeakPolarHBondContact OH-CA 3.47Å; Y231-Y263 PolarHBondContact OH-O 3.22Å |
| 232 | A | 94.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 107.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | V196 M198 A208 A220 A222 | V196-A232 PolarHBondContact N-O 3.15Å; V196-A232 PolarHBondContact O-N 3.21Å; M198-A232 HydrophobicContact CE-CB 3.63Å; M198-A232 HydrophobicContact CG-CB 4.45Å; M198-A232 HydrophobicContact SD-CB 3.61Å; A208-A232 HydrophobicContact CB-CB 3.92Å; A220-A232 HydrophobicContact CB-CB 3.82Å; A222-A232 HydrophobicContact CB-CB 4.24Å |
| 233 | S | 97.7 | Very high | 89.7 | Confident | 46 Ų | 46 | 66 Ų | 66 | 32% | 0.322 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 137 | -178.1 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | Y194 H195 A220 | Y194-S233 VanDerWaalsContact O-CA 3.27Å; Y194-S233 WeakPolarHBondContact O-CA 3.46Å; Y194-S233 WeakPolarHBondContact O-CB 3.44Å; H195-S233 VanDerWaalsContact ND1-CB 3.29Å; H195-S233 WeakPolarHBondContact ND1-CB 3.23Å; H195-S233 PolarHBondContact ND1-OG 3.18Å; A220-S233 WeakPolarHBondContact CB-O 3.36Å |
| 234 | N | 98.7 | Very high | 90.5 | Very high | 63 Ų | 63 | 61.3 Ų | 61.3 | 34% | 0.337 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 168.9 | 170.4 | -147.5 | -26.8 | 0 | 0 | 0 | 110.7 | T193 Y194 A218 S219 A220 | T193-N234 PolarHBondContact OG1-O 2.99Å; Y194-N234 WeakPolarHBondContact CD1-O 3.49Å; Y194-N234 HydrophobicContact CE1-CB 3.67Å; Y194-N234 HydrophobicContact CE2-CB 4.37Å; Y194-N234 PolarHBondContact N-O 3.29Å; Y194-N234 PolarHBondContact O-N 3.46Å; Y194-N234 VanDerWaalsContact OH-CB 3.32Å; Y194-N234 WeakPolarHBondContact OH-CB 3.41Å; A218-N234 HydrophobicContact CB-CB 4.33Å; S219-N234 PolarHBondContact O-ND2 3.39Å; A220-N234 HydrophobicContact CB-CB 4.27Å |
| 235 | S | 98.8 | Very high | 91.9 | Very high | 53 Ų | 53 | 62.6 Ų | 62.6 | 37% | 0.371 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 158.5 | 174.7 | 65.3 | 0 | 0 | 0 | 0 | 111 | F192 | F192-S235 CarbonylContact O-C 3.56Å; F192-S235 WeakPolarHBondContact O-CA 3.32Å; F192-S235 VanDerWaalsContact O-CB 3.32Å; F192-S235 WeakPolarHBondContact O-CB 3.17Å |
| 236 | V | 98.8 | Very high | 93.6 | Very high | 24 Ų | 24 | 59.3 Ų | 59.3 | 15% | 0.145 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 147.9 | -179.3 | 69.9 | 0 | 0 | 0 | 0 | 110.9 | F192 L210 A218 L238 | F192-V236 HydrophobicContact CB-CG1 4.17Å; F192-V236 HydrophobicContact CD2-CG1 4.44Å; F192-V236 PolarHBondContact N-O 2.91Å; F192-V236 PolarHBondContact O-N 3.4Å; L210-V236 HydrophobicContact CD1-CG1 3.84Å; L210-V236 HydrophobicContact CD2-CG1 3.75Å; L210-V236 HydrophobicContact CG-CG1 4.41Å; A218-V236 HydrophobicContact CB-CB 4.19Å; V236-L238 HydrophobicContact CB-CG 4.45Å; V236-L238 HydrophobicContact CG1-CD1 3.83Å; V236-L238 HydrophobicContact CG1-CG 3.88Å; V236-L238 HydrophobicContact CG2-CD1 4.4Å; V236-L238 HydrophobicContact CG2-CD2 3.69Å; V236-L238 HydrophobicContact CG2-CG 3.78Å |
| 237 | I | 98.9 | Very high | 95 | Very high | 107 Ų | 107 | 53.6 Ų | 53.6 | 55% | 0.549 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.6 | 166.4 | -62.8 | 173.2 | 0 | 0 | 0 | 107.3 | I189 Y190 Y191 I271 | I189-I237 HydrophobicContact CG2-CG2 3.32Å; Y190-I237 CarbonylContact O-C 3.46Å; Y190-I237 VanDerWaalsContact O-CA 3.31Å; Y190-I237 WeakPolarHBondContact O-CA 3.43Å; Y191-I237 HydrophobicContact CD2-CG1 4.02Å; I237-I271 HydrophobicContact CD1-CD1 4.36Å; I237-I271 HydrophobicContact CG1-CD1 4.32Å; I237-I271 HydrophobicContact CG2-CD1 4.12Å |
| 238 | L | 98.8 | Very high | 96.4 | Very high | 14 Ų | 14 | 50.1 Ų | 50.1 | 7% | 0.073 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 139.2 | -176.9 | -65.3 | 174.6 | 0 | 0 | 0 | 110.7 | Y190 L210 K212 R217 V236 L240 | Y190-L238 PolarHBondContact N-O 3.34Å; Y190-L238 PolarHBondContact O-N 2.76Å; L210-L238 HydrophobicContact CD2-CD1 4.06Å; K212-L238 HydrophobicContact CB-CD1 4.47Å; R217-L238 HydrophobicContact CB-CD1 4.11Å; R217-L238 HydrophobicContact CB-CD2 4.1Å; R217-L238 HydrophobicContact CG-CD1 4.05Å; R217-L238 HydrophobicContact CG-CD2 4.22Å; V236-L238 HydrophobicContact CB-CG 4.45Å; V236-L238 HydrophobicContact CG1-CD1 3.83Å; V236-L238 HydrophobicContact CG1-CG 3.88Å; V236-L238 HydrophobicContact CG2-CD1 4.4Å; V236-L238 HydrophobicContact CG2-CD2 3.69Å; V236-L238 HydrophobicContact CG2-CG 3.78Å; L238-L240 HydrophobicContact CB-CD2 4.13Å |
| 239 | H | 98.8 | Very high | 97.2 | Very high | 72 Ų | 72 | 48.1 Ų | 48.1 | 33% | 0.333 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 132.5 | 156.4 | -177.9 | -84.8 | 0 | 0 | 0 | 109.3 | G188 I189 K212 D241 D274 | G188-H239 WeakPolarHBondContact O-CA 3.13Å; I189-H239 HydrophobicContact CD1-CB 3.59Å; K212-H239 PolarHBondContact NZ-O 3.49Å; H239-D241 IonicContact CE1-OD1 3.15Å; H239-D241 PolarHBondContact CE1-OD1 3.04Å; H239-D274 IonicContact CD2-OD1 2.9Å; H239-D274 IonicContact CD2-OD2 3.98Å; H239-D274 IonicContact CE1-OD2 3.54Å; H239-D274 IonicContact NE2-OD1 2.74Å; H239-D274 PolarHBondContact NE2-OD1 3.35Å; H239-D274 IonicContact NE2-OD2 2.76Å; H239-D274 PolarHBondContact NE2-OD2 3.01Å |
| 240 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 142.7 | 176.9 | -59.1 | -177.2 | 0 | 0 | 0 | 109.9 | F182 C184 P187 G188 Y190 F192 K212 L238 D244 V246 | F182-L240 HydrophobicContact CD1-CD1 4.33Å; F182-L240 HydrophobicContact CE1-CD1 3.92Å; C184-L240 HydrophobicContact CB-CB 3.92Å; C184-L240 HydrophobicContact CB-CD1 4.09Å; C184-L240 VanDerWaalsContact SG-CB 3.52Å; P187-L240 WeakPolarHBondContact CA-O 3.38Å; G188-L240 PolarHBondContact N-O 2.75Å; G188-L240 VanDerWaalsContact N-O 3.16Å; G188-L240 PolarHBondContact O-N 3.28Å; Y190-L240 HydrophobicContact CD1-CD1 4.49Å; Y190-L240 HydrophobicContact CD2-CB 3.88Å; Y190-L240 HydrophobicContact CD2-CD1 3.71Å; Y190-L240 HydrophobicContact CD2-CG 3.84Å; Y190-L240 HydrophobicContact CE2-CB 4.02Å; Y190-L240 HydrophobicContact CE2-CD1 4.22Å; Y190-L240 HydrophobicContact CE2-CG 4.43Å; Y190-L240 HydrophobicContact CG-CD1 3.86Å; Y190-L240 HydrophobicContact CG-CG 4.37Å; F192-L240 HydrophobicContact CE2-CD1 3.82Å; F192-L240 HydrophobicContact CZ-CD1 3.7Å; K212-L240 HydrophobicContact CD-CD2 3.78Å; K212-L240 HydrophobicContact CG-CD2 4.15Å; L238-L240 HydrophobicContact CB-CD2 4.13Å; L240-D244 WeakPolarHBondContact CA-OD2 3.12Å; L240-D244 HydrophobicContact CB-CB 4.25Å; L240-D244 HydrophobicContact CD2-CB 4.12Å; L240-V246 HydrophobicContact CD1-CG2 3.86Å; L240-V246 HydrophobicContact CD2-CG2 3.83Å |
| 241 | D | 98.8 | Very high | 97.3 | Very high | 84 Ų | 84 | 43.5 Ų | 43.5 | 45% | 0.449 | 24% | 0.242 | S | C | . | . | trans | -97.7 | 161.4 | 167.8 | -68.4 | -55.9 | 0 | 0 | 0 | 110.3 | C184 H239 G243 D244 | C184-D241 WeakPolarHBondContact CB-O 3.31Å; C184-D241 PolarHBondContact SG-O 2.7Å; H239-D241 IonicContact CE1-OD1 3.15Å; H239-D241 PolarHBondContact CE1-OD1 3.04Å; D241-G243 PolarHBondContact O-N 3.34Å; D241-D244 PolarHBondContact N-OD2 3.41Å; D241-D244 VanDerWaalsContact O-CB 3.31Å; D241-D244 WeakPolarHBondContact O-CB 3.22Å; D241-D244 PolarHBondContact O-N 2.96Å | ||
| 242 | V | 98.6 | Very high | 96.8 | Very high | 98 Ų | 98 | 40.2 Ų | 40.2 | 59% | 0.594 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 128.3 | 176.9 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | C184 | C184-V242 WeakPolarHBondContact O-CA 3.38Š|
| 243 | G | 98.6 | Very high | 96.1 | Very high | 43 Ų | 43 | 41.2 Ų | 41.2 | 44% | 0.443 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | -9.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | C184 D241 E245 | C184-G243 PolarHBondContact O-N 3.42Å; D241-G243 PolarHBondContact O-N 3.34Å; G243-E245 PolarHBondContact O-N 2.97Å |
| 244 | D | 98.9 | Very high | 95.6 | Very high | 17 Ų | 17 | 43.9 Ų | 43.9 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | trans | -60.1 | 133.2 | 173.4 | -78.6 | -23.2 | 0 | 0 | 0 | 111 | T183 C184 K212 N213 L240 D241 | T183-D244 WeakPolarHBondContact CA-O 3.46Å; C184-D244 HydrophobicContact CB-CB 4.09Å; C184-D244 WeakPolarHBondContact CB-O 3.28Å; C184-D244 PolarHBondContact N-O 2.9Å; K212-D244 WeakPolarHBondContact CE-OD2 3.32Å; K212-D244 IonicContact NZ-OD2 3.49Å; K212-D244 PolarHBondContact NZ-OD2 3.35Å; N213-D244 PolarHBondContact ND2-OD1 3.03Å; N213-D244 WeakPolarHBondContact OD1-CA 3.45Å; L240-D244 WeakPolarHBondContact CA-OD2 3.12Å; L240-D244 HydrophobicContact CB-CB 4.25Å; L240-D244 HydrophobicContact CD2-CB 4.12Å; D241-D244 PolarHBondContact N-OD2 3.41Å; D241-D244 VanDerWaalsContact O-CB 3.31Å; D241-D244 WeakPolarHBondContact O-CB 3.22Å; D241-D244 PolarHBondContact O-N 2.96Å | ||
| 245 | E | 98.8 | Very high | 95.2 | Very high | 70 Ų | 70 | 40.9 Ų | 40.9 | 33% | 0.327 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 129.9 | 178.4 | -64.2 | -174.4 | 134.5 | 0 | 0 | 110.9 | K181 F182 K212 N213 G243 | K181-E245 HydrophobicContact CD-CB 4.36Å; K181-E245 HydrophobicContact CD-CG 4.33Å; K181-E245 VanDerWaalsContact CD-OE1 3.29Å; K181-E245 WeakPolarHBondContact CD-OE1 3.32Å; K181-E245 IonicContact NZ-OE1 3.88Å; K181-E245 PolarHBondContact NZ-OE1 3.05Å; K181-E245 IonicContact NZ-OE2 3.42Å; K181-E245 PolarHBondContact NZ-OE2 3.02Å; F182-E245 CarbonylContact O-C 3.53Å; F182-E245 WeakPolarHBondContact O-CA 3.39Å; K212-E245 CarbonylContact C-O 3.58Å; K212-E245 WeakPolarHBondContact CA-O 3.45Å; N213-E245 PolarHBondContact N-O 3.45Å; N213-E245 PolarHBondContact OD1-N 3.12Å; G243-E245 PolarHBondContact O-N 2.97Å |
| 246 | V | 98.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130.5 | 173 | -174.7 | 0 | 0 | 0 | 0 | 110 | K181 F182 F192 L210 K211 L240 F266 | K181-V246 WeakPolarHBondContact CA-O 3.47Å; F182-V246 HydrophobicContact CB-CB 4.5Å; F182-V246 PolarHBondContact N-O 2.98Å; F182-V246 PolarHBondContact O-N 3.06Å; F192-V246 HydrophobicContact CD1-CG1 4.1Å; F192-V246 HydrophobicContact CD2-CG1 4.3Å; F192-V246 HydrophobicContact CE1-CB 4.14Å; F192-V246 HydrophobicContact CE1-CG1 4.09Å; F192-V246 HydrophobicContact CE1-CG2 4.45Å; F192-V246 HydrophobicContact CE2-CB 4.49Å; F192-V246 HydrophobicContact CE2-CG1 4.3Å; F192-V246 HydrophobicContact CE2-CG2 4.04Å; F192-V246 HydrophobicContact CG-CG1 4.21Å; F192-V246 HydrophobicContact CZ-CB 4.08Å; F192-V246 HydrophobicContact CZ-CG1 4.21Å; F192-V246 HydrophobicContact CZ-CG2 3.88Å; L210-V246 HydrophobicContact CD1-CG1 4.21Å; L210-V246 HydrophobicContact CD2-CG1 3.69Å; L210-V246 HydrophobicContact CG-CG1 3.91Å; K211-V246 VanDerWaalsContact O-CA 3.28Å; K211-V246 WeakPolarHBondContact O-CA 3.15Å; L240-V246 HydrophobicContact CD1-CG2 3.86Å; L240-V246 HydrophobicContact CD2-CG2 3.83Å; V246-F266 HydrophobicContact CG1-CZ 4.18Å |
| 247 | C | 98.7 | Very high | 94.4 | Very high | 10 Ų | 10 | 38.2 Ų | 38.2 | 7% | 0.068 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 165.5 | 178.2 | 64.9 | 0 | 0 | 0 | 0 | 111.7 | I161 K181 L210 K211 | I161-C247 HydrophobicContact CG2-CB 3.91Å; K181-C247 HydrophobicContact CG-CB 4.05Å; L210-C247 CarbonylContact C-O 3.49Å; L210-C247 WeakPolarHBondContact CA-O 3.37Å; K211-C247 PolarHBondContact N-O 3.01Å; K211-C247 PolarHBondContact O-N 3.3Å |
| 248 | V | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 125.3 | 169.3 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | L162 F164 Y194 V196 A208 D209 F266 | L162-V248 HydrophobicContact CD1-CG1 4.04Å; L162-V248 PolarHBondContact N-O 3.49Å; F164-V248 HydrophobicContact CE2-CB 4.07Å; F164-V248 HydrophobicContact CE2-CG2 4.29Å; F164-V248 HydrophobicContact CZ-CB 4.44Å; Y194-V248 HydrophobicContact CD1-CG2 4.16Å; Y194-V248 HydrophobicContact CD2-CG1 4.22Å; Y194-V248 HydrophobicContact CG-CG1 4.38Å; Y194-V248 HydrophobicContact CG-CG2 3.94Å; V196-V248 HydrophobicContact CG2-CG1 4.39Å; A208-V248 HydrophobicContact CB-CG1 4.04Å; D209-V248 CarbonylContact O-C 3.5Å; D209-V248 WeakPolarHBondContact O-CA 3.43Å; V248-F266 HydrophobicContact CG2-CD1 4.27Å; V248-F266 HydrophobicContact CG2-CD2 3.79Å; V248-F266 HydrophobicContact CG2-CE1 4.39Å; V248-F266 HydrophobicContact CG2-CE2 3.93Å; V248-F266 HydrophobicContact CG2-CG 3.99Å; V248-F266 HydrophobicContact CG2-CZ 4.24Å |
| 249 | Q | 96.1 | Very high | 93.6 | Very high | 48 Ų | 48 | 40.8 Ų | 40.8 | 22% | 0.224 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 132.9 | 176.5 | -176.1 | 176.4 | -23.8 | 0 | 0 | 109.5 | D209 K211 | D209-Q249 PolarHBondContact N-O 3.46Å; D209-Q249 PolarHBondContact O-N 3.05Å; K211-Q249 HydrophobicContact CD-CB 4.11Å |
| 250 | L | 92.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 141.3 | 169.7 | -171.6 | 65.4 | 0 | 0 | 0 | 109.3 | G158 S159 E160 L162 M198 W207 G252 V255 | G158-L250 VanDerWaalsContact O-CD2 3.3Å; G158-L250 WeakPolarHBondContact O-CD2 3.31Å; G158-L250 WeakPolarHBondContact O-CG 3.39Å; S159-L250 VanDerWaalsContact CA-O 3.28Å; S159-L250 WeakPolarHBondContact CA-O 3.43Å; E160-L250 PolarHBondContact O-N 2.94Å; L162-L250 HydrophobicContact CD2-CB 4.05Å; L162-L250 HydrophobicContact CG-CB 4.33Å; M198-L250 HydrophobicContact CE-CD1 3.4Å; M198-L250 HydrophobicContact SD-CD1 4.25Å; W207-L250 CarbonylContact O-C 3.6Å; W207-L250 WeakPolarHBondContact O-CA 3.49Å; L250-G252 VanDerWaalsContact CD1-O 3.22Å; L250-G252 WeakPolarHBondContact CD1-O 3.28Å; L250-G252 WeakPolarHBondContact CG-O 3.31Å; L250-V255 HydrophobicContact CD1-CG2 3.56Å; L250-V255 HydrophobicContact CD2-CG2 3.72Å; L250-V255 HydrophobicContact CG-CG2 4.22Å |
| 251 | D | 87.8 | Confident | 93.1 | Very high | 72 Ų | 72 | 42.4 Ų | 42.4 | 39% | 0.385 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 98.1 | 162.2 | -164.1 | 19 | 0 | 0 | 0 | 109 | S159 W207 | S159-D251 PolarHBondContact OG-OD1 2.99Å; W207-D251 HydrophobicContact CB-CB 4.18Å; W207-D251 HydrophobicContact CE3-CB 4.17Å; W207-D251 PolarHBondContact N-O 3.07Å; W207-D251 PolarHBondContact O-N 3.37Å |
| 252 | G | 82.8 | Confident | 93 | Very high | 22 Ų | 22 | 42.3 Ų | 42.3 | 23% | 0.227 | 25% | 0.249 | C | C | . | . | S | Bend | trans | 78.5 | 159.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G158 L250 | G158-G252 PolarHBondContact O-N 2.7Å; G158-G252 VanDerWaalsContact O-N 3.13Å; L250-G252 VanDerWaalsContact CD1-O 3.22Å; L250-G252 WeakPolarHBondContact CD1-O 3.28Å; L250-G252 WeakPolarHBondContact CG-O 3.31Å |
| 253 | G | 81.6 | Confident | 92.9 | Very high | 21 Ų | 21 | 42.7 Ų | 42.7 | 22% | 0.216 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 85.1 | -171.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | E157 G158 M206 | E157-G253 WeakPolarHBondContact CA-O 3.39Å; G158-G253 PolarHBondContact N-O 2.95Å; M206-G253 VanDerWaalsContact SD-CA 3.53Å |
| 254 | K | 86.6 | Confident | 92.8 | Very high | 103 Ų | 103 | 40.7 Ų | 40.7 | 45% | 0.448 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 141.2 | 176.3 | -63.7 | -170.7 | 178.1 | -158.6 | 0 | 110.3 | H156 E157 M198 R199 | H156-K254 WeakPolarHBondContact O-CA 3.43Å; E157-K254 HydrophobicContact CB-CG 4.02Å; E157-K254 WeakPolarHBondContact OE2-CE 3.46Å; E157-K254 IonicContact OE2-NZ 2.61Å; E157-K254 PolarHBondContact OE2-NZ 3.37Å; E157-K254 VanDerWaalsContact OE2-NZ 3.15Å; M198-K254 CarbonylContact C-O 3.55Å; M198-K254 WeakPolarHBondContact CA-O 3.5Å; R199-K254 PolarHBondContact N-O 3.45Å; R199-K254 PolarHBondContact O-N 3.38Å |
| 255 | V | 90.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 139.2 | -180 | 180 | 0 | 0 | 0 | 0 | 110.9 | L152 Q155 H156 L162 V196 M198 L250 S264 | L152-V255 HydrophobicContact CD2-CB 4.24Å; L152-V255 HydrophobicContact CD2-CG1 3.4Å; Q155-V255 WeakPolarHBondContact CA-O 3.48Å; H156-V255 HydrophobicContact CB-CB 4.5Å; H156-V255 PolarHBondContact O-N 3.32Å; L162-V255 HydrophobicContact CD1-CG1 4.44Å; L162-V255 HydrophobicContact CD1-CG2 4.27Å; L162-V255 HydrophobicContact CD2-CB 4.28Å; L162-V255 HydrophobicContact CD2-CG2 4.03Å; V196-V255 HydrophobicContact CG1-CB 4.15Å; V196-V255 HydrophobicContact CG1-CG1 3.39Å; V196-V255 HydrophobicContact CG1-CG2 3.58Å; M198-V255 HydrophobicContact CE-CG2 4.5Å; M198-V255 HydrophobicContact CG-CG2 4.36Å; L250-V255 HydrophobicContact CD1-CG2 3.56Å; L250-V255 HydrophobicContact CD2-CG2 3.72Å; L250-V255 HydrophobicContact CG-CG2 4.22Å; V255-S264 WeakPolarHBondContact CG1-OG 3.31Å |
| 256 | H | 90.3 | Very high | 92.8 | Very high | 18 Ų | 18 | 37.1 Ų | 37.1 | 8% | 0.083 | 20% | 0.204 | C | C | . | . | trans | -121.5 | 133.4 | -176.6 | -66.1 | -86.7 | 0 | 0 | 0 | 112.9 | Q155 L197 Y229 S264 | Q155-H256 PolarHBondContact NE2-ND1 2.65Å; Q155-H256 VanDerWaalsContact NE2-ND1 3.15Å; L197-H256 HydrophobicContact CD2-CB 4.2Å; L197-H256 HydrophobicContact CG-CB 4.48Å; L197-H256 PolarHBondContact O-N 3Å; Y229-H256 HydrophobicContact CE1-CB 4.37Å; Y229-H256 AromaticContact CE1-CD2 3.45Å; Y229-H256 VanDerWaalsContact CE1-CD2 3.45Å; Y229-H256 WeakPolarHBondContact CE1-CD2 3.18Å; Y229-H256 AromaticContact CE1-CG 3.88Å; Y229-H256 AromaticContact CE1-NE2 3.85Å; H256-S264 WeakPolarHBondContact O-CB 3.34Å; H256-S264 PolarHBondContact O-OG 3.4Å | ||
| 257 | G | 89.8 | Confident | 92.8 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | trans | -79.7 | -18.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115 | L152 N261 K262 Y263 | L152-G257 WeakPolarHBondContact O-CA 3.23Å; G257-N261 CarbonylContact O-C 3.54Å; G257-N261 WeakPolarHBondContact O-CA 3.06Å; G257-N261 PolarHBondContact O-N 2.88Å; G257-K262 PolarHBondContact O-N 3.4Å; G257-Y263 WeakPolarHBondContact O-CD2 3.36Å; G257-Y263 PolarHBondContact O-N 3.22Å | ||
| 258 | G | 89.6 | Confident | 92.8 | Very high | 38 Ų | 38 | 37.9 Ų | 37.9 | 39% | 0.392 | 21% | 0.209 | S | C | . | . | trans | 65.9 | -170.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113 | T260 | G258-T260 PolarHBondContact O-N 3.45Š| ||
| 259 | N | 91.3 | Very high | 92.8 | Very high | 138 Ų | 138 | 42.2 Ų | 42.2 | 74% | 0.738 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -23.2 | -175.3 | 60.5 | -13.1 | 0 | 0 | 0 | 114.4 | ||
| 260 | T | 92.8 | Very high | 93 | Very high | 74 Ų | 74 | 40.8 Ų | 40.8 | 45% | 0.454 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 1.7 | -179.1 | 56.8 | 0 | 0 | 0 | 0 | 113.4 | G258 K262 | G258-T260 PolarHBondContact O-N 3.45Å; T260-K262 WeakPolarHBondContact O-CG 3.38Å; T260-K262 PolarHBondContact O-N 3.04Å; T260-K262 PolarHBondContact O-NZ 3.31Å |
| 261 | N | 95.4 | Very high | 93.3 | Very high | 32 Ų | 32 | 44.3 Ų | 44.3 | 17% | 0.171 | 24% | 0.24 | C | C | . | . | S | Bend | trans | 62.9 | 11.7 | -173 | -46 | -34 | 0 | 0 | 0 | 114.3 | G151 L152 R153 D166 G257 | G151-N261 CarbonylContact C-O 3.54Å; G151-N261 WeakPolarHBondContact CA-O 3.31Å; L152-N261 PolarHBondContact N-O 3.19Å; L152-N261 VanDerWaalsContact O-CA 3.24Å; L152-N261 WeakPolarHBondContact O-CA 3.35Å; L152-N261 VanDerWaalsContact O-CB 3.26Å; L152-N261 WeakPolarHBondContact O-CB 3.18Å; R153-N261 HydrophobicContact CB-CB 4.47Å; D166-N261 HydrophobicContact CB-CB 3.99Å; D166-N261 WeakPolarHBondContact OD2-CB 3.22Å; G257-N261 CarbonylContact O-C 3.54Å; G257-N261 WeakPolarHBondContact O-CA 3.06Å; G257-N261 PolarHBondContact O-N 2.88Å |
| 262 | K | 96.1 | Very high | 93.7 | Very high | 81 Ų | 81 | 47.2 Ų | 47.2 | 35% | 0.352 | 25% | 0.247 | S | C | . | . | trans | -105.4 | 1.2 | -173.6 | -58.1 | -55.7 | 175.7 | -72.4 | 0 | 114.8 | Y149 D166 G257 T260 T265 | Y149-K262 HydrophobicContact CE1-CD 4.31Å; D166-K262 IonicContact OD2-NZ 3.69Å; D166-K262 PolarHBondContact OD2-NZ 2.82Å; G257-K262 PolarHBondContact O-N 3.4Å; T260-K262 WeakPolarHBondContact O-CG 3.38Å; T260-K262 PolarHBondContact O-N 3.04Å; T260-K262 PolarHBondContact O-NZ 3.31Å; K262-T265 WeakPolarHBondContact O-CG2 3.32Å | ||
| 263 | Y | 95.9 | Very high | 94.4 | Very high | 107 Ų | 107 | 48.8 Ų | 48.8 | 42% | 0.42 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -76.3 | -36.2 | 178.5 | -73.9 | -94.5 | 0 | 0 | 0 | 112.1 | L197 Y231 G257 | L197-Y263 HydrophobicContact CD2-CD1 3.91Å; L197-Y263 HydrophobicContact CD2-CG 3.99Å; Y231-Y263 WeakPolarHBondContact CE1-O 3.17Å; Y231-Y263 VanDerWaalsContact CZ-O 3.32Å; Y231-Y263 WeakPolarHBondContact OH-CA 3.47Å; Y231-Y263 PolarHBondContact OH-O 3.22Å; G257-Y263 WeakPolarHBondContact O-CD2 3.36Å; G257-Y263 PolarHBondContact O-N 3.22Å |
| 264 | S | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -108.7 | 123.7 | 172.7 | -66.4 | 0 | 0 | 0 | 0 | 109.9 | G151 L152 H195 L197 V255 H256 | G151-S264 CarbonylContact C-O 3.57Å; G151-S264 WeakPolarHBondContact CA-O 3.5Å; L152-S264 PolarHBondContact N-O 2.8Å; H195-S264 CarbonylContact O-C 3.56Å; H195-S264 VanDerWaalsContact O-CA 3.23Å; H195-S264 WeakPolarHBondContact O-CA 3.46Å; L197-S264 PolarHBondContact N-OG 3.43Å; V255-S264 WeakPolarHBondContact CG1-OG 3.31Å; H256-S264 WeakPolarHBondContact O-CB 3.34Å; H256-S264 PolarHBondContact O-OG 3.4Å |
| 265 | T | 98.7 | Very high | 95.4 | Very high | 13 Ų | 13 | 52.2 Ų | 52.2 | 8% | 0.08 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 147.2 | -170.8 | 62.9 | 0 | 0 | 0 | 0 | 112 | Y149 A150 Y194 H195 K262 | Y149-T265 HydrophobicContact CE2-CG2 3.97Å; Y149-T265 VanDerWaalsContact OH-CG2 3.27Å; Y149-T265 WeakPolarHBondContact OH-CG2 3.33Å; A150-T265 VanDerWaalsContact O-CA 3.3Å; A150-T265 WeakPolarHBondContact O-CA 3.46Å; Y194-T265 WeakPolarHBondContact CA-O 3.44Å; H195-T265 PolarHBondContact N-O 2.97Å; H195-T265 PolarHBondContact O-N 3.39Å; K262-T265 WeakPolarHBondContact O-CG2 3.32Å |
| 266 | F | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 135.8 | 169.8 | -179.1 | -143.4 | 0 | 0 | 0 | 109.7 | F148 A150 F164 Y175 F192 T193 L210 V246 V248 | F148-F266 AromaticContact CE2-CD1 3.6Å; F148-F266 HydrophobicContact CE2-CD1 3.6Å; F148-F266 HydrophobicContact CE2-CD2 4.49Å; F148-F266 AromaticContact CE2-CE1 3.8Å; F148-F266 HydrophobicContact CE2-CE1 3.8Å; F148-F266 AromaticContact CE2-CG 3.96Å; F148-F266 HydrophobicContact CE2-CG 3.96Å; F148-F266 HydrophobicContact CE2-CZ 4.33Å; F148-F266 AromaticContact CZ-CD1 3.84Å; F148-F266 HydrophobicContact CZ-CD1 3.84Å; F148-F266 HydrophobicContact CZ-CD2 4.35Å; F148-F266 AromaticContact CZ-CE1 3.57Å; F148-F266 HydrophobicContact CZ-CE1 3.57Å; F148-F266 HydrophobicContact CZ-CE2 4.1Å; F148-F266 HydrophobicContact CZ-CG 4.22Å; F148-F266 AromaticContact CZ-CZ 3.71Å; F148-F266 HydrophobicContact CZ-CZ 3.71Å; A150-F266 PolarHBondContact N-O 3.38Å; A150-F266 PolarHBondContact O-N 2.9Å; F164-F266 HydrophobicContact CD1-CB 4.06Å; F164-F266 HydrophobicContact CD2-CB 3.56Å; F164-F266 HydrophobicContact CD2-CD1 4.15Å; F164-F266 HydrophobicContact CD2-CG 4.28Å; F164-F266 HydrophobicContact CE1-CB 4.03Å; F164-F266 HydrophobicContact CE2-CB 3.53Å; F164-F266 HydrophobicContact CE2-CD1 4.26Å; F164-F266 HydrophobicContact CE2-CG 4.16Å; F164-F266 HydrophobicContact CG-CB 3.84Å; F164-F266 HydrophobicContact CZ-CB 3.77Å; Y175-F266 AromaticContact CE2-CD1 3.91Å; Y175-F266 HydrophobicContact CE2-CD1 3.91Å; Y175-F266 HydrophobicContact CE2-CE1 4.17Å; F192-F266 HydrophobicContact CB-CE2 4.2Å; F192-F266 HydrophobicContact CD1-CE2 4.06Å; F192-F266 AromaticContact CD1-CZ 3.95Å; F192-F266 HydrophobicContact CD1-CZ 3.95Å; T193-F266 WeakPolarHBondContact O-CD2 3.29Å; L210-F266 HydrophobicContact CD1-CE2 4.03Å; V246-F266 HydrophobicContact CG1-CZ 4.18Å; V248-F266 HydrophobicContact CG2-CD1 4.27Å; V248-F266 HydrophobicContact CG2-CD2 3.79Å; V248-F266 HydrophobicContact CG2-CE1 4.39Å; V248-F266 HydrophobicContact CG2-CE2 3.93Å; V248-F266 HydrophobicContact CG2-CG 3.99Å; V248-F266 HydrophobicContact CG2-CZ 4.24Å |
| 267 | S | 98.9 | Very high | 96 | Very high | 23 Ų | 23 | 56.9 Ų | 56.9 | 16% | 0.161 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 158 | -179.2 | 61.2 | 0 | 0 | 0 | 0 | 111.9 | F148 F192 T193 | F148-S267 VanDerWaalsContact O-CA 3.26Å; F148-S267 WeakPolarHBondContact O-CA 3.31Å; F148-S267 VanDerWaalsContact O-CB 3.29Å; F148-S267 WeakPolarHBondContact O-CB 3.48Å; F192-S267 WeakPolarHBondContact CA-O 3.45Å; T193-S267 WeakPolarHBondContact CG2-OG 3.44Å; T193-S267 PolarHBondContact N-O 3.18Å; T193-S267 PolarHBondContact O-N 3.47Å |
| 268 | G | 98.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 60.2 Ų | 60.2 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.7 | 163.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A147 F148 Y191 | A147-G268 CarbonylContact C-O 3.14Å; A147-G268 VanDerWaalsContact CA-O 3.32Å; A147-G268 WeakPolarHBondContact CA-O 3.4Å; F148-G268 WeakPolarHBondContact CD1-O 3.44Å; F148-G268 PolarHBondContact N-O 2.84Å; F148-G268 PolarHBondContact O-N 2.86Å; F148-G268 VanDerWaalsContact O-N 3.09Å; Y191-G268 CarbonylContact O-C 3.57Å; Y191-G268 WeakPolarHBondContact O-CA 3.38Å |
| 269 | F | 98.8 | Very high | 96.8 | Very high | 92 Ų | 92 | 61.6 Ų | 61.6 | 40% | 0.404 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 156.6 | -178.7 | 58.6 | -92.1 | 0 | 0 | 0 | 112 | I146 A147 Y190 Y191 I271 | I146-F269 CarbonylContact O-C 3.5Å; I146-F269 WeakPolarHBondContact O-CA 3.25Å; I146-F269 WeakPolarHBondContact O-CB 3.34Å; A147-F269 HydrophobicContact CB-CB 3.81Å; Y190-F269 WeakPolarHBondContact CA-O 3.36Å; Y191-F269 AromaticContact CD1-CD1 3.98Å; Y191-F269 HydrophobicContact CD1-CD1 3.98Å; Y191-F269 AromaticContact CD1-CE1 3.3Å; Y191-F269 HydrophobicContact CD1-CE1 3.3Å; Y191-F269 AromaticContact CD1-CZ 3.78Å; Y191-F269 HydrophobicContact CD1-CZ 3.78Å; Y191-F269 HydrophobicContact CE1-CE1 4.06Å; Y191-F269 AromaticContact CG-CE1 3.98Å; Y191-F269 HydrophobicContact CG-CE1 3.98Å; Y191-F269 HydrophobicContact CG-CZ 4Å; Y191-F269 PolarHBondContact N-O 3.02Å; Y191-F269 PolarHBondContact O-N 2.94Å; F269-I271 HydrophobicContact CD2-CG1 4.48Å; F269-I271 HydrophobicContact CE2-CG1 4.14Å |
| 270 | L | 98.7 | Very high | 97.1 | Very high | 18 Ų | 18 | 56.5 Ų | 56.5 | 9% | 0.094 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 125.9 | 170 | 176.6 | 69.6 | 0 | 0 | 0 | 109.4 | P144 I146 L186 Y190 Y272 P273 | P144-L270 HydrophobicContact CB-CD2 3.94Å; P144-L270 HydrophobicContact CG-CD2 3.7Å; I146-L270 HydrophobicContact CB-CB 3.97Å; I146-L270 HydrophobicContact CD1-CB 4.45Å; I146-L270 HydrophobicContact CD1-CD2 4.24Å; I146-L270 PolarHBondContact O-N 3.04Å; L186-L270 HydrophobicContact CD2-CD2 4.33Å; Y190-L270 HydrophobicContact CD1-CB 4.08Å; Y190-L270 HydrophobicContact CD1-CD1 4.3Å; Y190-L270 HydrophobicContact CD2-CD1 4.2Å; Y190-L270 HydrophobicContact CE1-CB 3.73Å; Y190-L270 HydrophobicContact CE1-CD1 3.85Å; Y190-L270 HydrophobicContact CE1-CG 4.39Å; Y190-L270 HydrophobicContact CE2-CD1 3.74Å; Y190-L270 HydrophobicContact CG-CD1 4.46Å; L270-Y272 WeakPolarHBondContact CD1-O 3.18Å; L270-P273 HydrophobicContact CD2-CB 4.45Å |
| 271 | I | 98.4 | Very high | 97.5 | Very high | 75 Ų | 75 | 55.2 Ų | 55.2 | 39% | 0.385 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -54.7 | 172.2 | -47 | -173.2 | 0 | 0 | 0 | 109.2 | I189 I237 F269 | I189-I271 HydrophobicContact CG2-CB 4.42Å; I189-I271 HydrophobicContact CG2-CD1 3.92Å; I189-I271 HydrophobicContact CG2-CG1 4.35Å; I189-I271 WeakPolarHBondContact O-CB 3.37Å; I189-I271 PolarHBondContact O-N 3.05Å; I237-I271 HydrophobicContact CD1-CD1 4.36Å; I237-I271 HydrophobicContact CG1-CD1 4.32Å; I237-I271 HydrophobicContact CG2-CD1 4.12Å; F269-I271 HydrophobicContact CD2-CG1 4.48Å; F269-I271 HydrophobicContact CE2-CG1 4.14Å |
| 272 | Y | 96.8 | Very high | 97.6 | Very high | 133 Ų | 133 | 57 Ų | 57 | 52% | 0.522 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 142.3 | 173.3 | 47.4 | -95.3 | 0 | 0 | 0 | 110.7 | G188 I189 L270 | G188-Y272 WeakPolarHBondContact CA-O 3.43Å; I189-Y272 HydrophobicContact CB-CD2 4.13Å; I189-Y272 HydrophobicContact CB-CE1 4.18Å; I189-Y272 HydrophobicContact CB-CE2 3.7Å; I189-Y272 HydrophobicContact CG1-CD2 4.01Å; I189-Y272 HydrophobicContact CG1-CE1 4.42Å; I189-Y272 HydrophobicContact CG1-CE2 3.23Å; I189-Y272 VanDerWaalsContact CG1-CZ 3.48Å; I189-Y272 HydrophobicContact CG2-CE1 4.39Å; I189-Y272 PolarHBondContact N-O 3.05Å; I189-Y272 PolarHBondContact O-N 3.08Å; L270-Y272 WeakPolarHBondContact CD1-O 3.18Å |
| 273 | P | 96.9 | Very high | 97.7 | Very high | 54 Ų | 54 | 55 Ų | 55 | 35% | 0.351 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 160 | 171.5 | 34.1 | -36 | 0 | 0 | 0 | 110.7 | P144 L186 L270 | P144-P273 HydrophobicContact CG-CB 4.1Å; P144-P273 HydrophobicContact CG-CG 3.84Å; L186-P273 HydrophobicContact CD2-CB 3.77Å; L186-P273 HydrophobicContact CG-CB 4.47Å; L270-P273 HydrophobicContact CD2-CB 4.45Å |
| 274 | D | 94.9 | Very high | 97.9 | Very high | 143 Ų | 143 | 50.3 Ų | 50.3 | 77% | 0.765 | 25% | 0.253 | S | S | * | . | trans | -67.4 | 0 | 168.8 | -70.9 | -8.5 | 0 | 0 | 0 | 113 | P187 G188 H239 | P187-D274 HydrophobicContact CB-CB 4.49Å; P187-D274 PolarHBondContact O-N 2.86Å; P187-D274 VanDerWaalsContact O-N 3.11Å; G188-D274 WeakPolarHBondContact CA-OD1 3.32Å; H239-D274 IonicContact CD2-OD1 2.9Å; H239-D274 IonicContact CD2-OD2 3.98Å; H239-D274 IonicContact CE1-OD2 3.54Å; H239-D274 IonicContact NE2-OD1 2.74Å; H239-D274 PolarHBondContact NE2-OD1 3.35Å; H239-D274 IonicContact NE2-OD2 2.76Å; H239-D274 PolarHBondContact NE2-OD2 3.01Å |
Retrieved 274 of 274 residues in 60.3 ms
(Link to these results)