| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 54.5 | Low | 60.9 | Low | 217 Ų | 217 | 134.8 Ų | 134.8 | 100% | 1.069 | 66% | 0.66 | S | S | * | * | 0 | 56.8 | 0 | -59.7 | -57.7 | 170.1 | 0 | 0 | 112.9 | |||||
| 2 | P | 60.9 | Low | 60.9 | Low | 113 Ų | 113 | 134.7 Ų | 134.7 | 73% | 0.734 | 66% | 0.657 | S | S | * | * | trans | -85.1 | -19.3 | -177.2 | 32.1 | -34.3 | 0 | 0 | 0 | 115.3 | L4 S5 | P2-L4 PolarHBondContact O-N 2.82Å; P2-S5 PolarHBondContact O-N 2.91Å | ||
| 3 | F | 61.3 | Low | 60.7 | Low | 154 Ų | 154 | 129.2 Ų | 129.2 | 68% | 0.675 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -66.6 | -36.4 | -170.8 | -163.6 | -98 | 0 | 0 | 0 | 114.1 | ||
| 4 | L | 60.5 | Low | 60.9 | Low | 135 Ų | 135 | 124.6 Ų | 124.6 | 71% | 0.707 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -71.1 | -30.1 | -179.4 | -70.4 | 167.4 | 0 | 0 | 0 | 112.9 | P2 T8 | P2-L4 PolarHBondContact O-N 2.82Å; L4-T8 PolarHBondContact O-N 2.95Å; L4-T8 PolarHBondContact O-OG1 2.69Å |
| 5 | S | 64.3 | Low | 61.5 | Low | 67 Ų | 67 | 120.5 Ų | 120.5 | 47% | 0.469 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -68.1 | -37.6 | 178.9 | -170.1 | 0 | 0 | 0 | 0 | 111.7 | P2 T8 Q9 | P2-S5 PolarHBondContact O-N 2.91Å; S5-T8 PolarHBondContact O-N 2.95Å; S5-Q9 PolarHBondContact O-N 2.99Å |
| 6 | F | 58.6 | Low | 61.9 | Low | 154 Ų | 154 | 116.9 Ų | 116.9 | 68% | 0.675 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.3 | -40.8 | -179.8 | -148.5 | -93.9 | 0 | 0 | 0 | 112 | T8 Q9 Y10 | F6-T8 PolarHBondContact O-N 2.92Å; F6-Q9 PolarHBondContact O-N 2.81Å; F6-Y10 PolarHBondContact O-N 3.33Å |
| 7 | H | 61.2 | Low | 62.5 | Low | 111 Ų | 111 | 113.2 Ų | 113.2 | 51% | 0.514 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64 | -39.2 | 176.9 | -100.2 | 64.5 | 0 | 0 | 0 | 112.7 | K11 | H7-K11 PolarHBondContact O-N 2.83Å |
| 8 | T | 61.9 | Low | 63.1 | Low | 76 Ų | 76 | 110.8 Ų | 110.8 | 47% | 0.466 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.2 | -44.7 | 178.3 | -50.9 | 0 | 0 | 0 | 0 | 111 | L4 S5 F6 Y10 K11 H12 | L4-T8 PolarHBondContact O-N 2.95Å; L4-T8 PolarHBondContact O-OG1 2.69Å; S5-T8 PolarHBondContact O-N 2.95Å; F6-T8 PolarHBondContact O-N 2.92Å; T8-Y10 VanDerWaalsContact C-N 3.33Å; T8-Y10 PolarHBondContact O-N 2.86Å; T8-K11 PolarHBondContact O-N 2.74Å; T8-H12 PolarHBondContact O-CD2 2.96Å; T8-H12 PolarHBondContact O-N 2.65Å; T8-H12 VanDerWaalsContact O-N 3.17Å |
| 9 | Q | 60.6 | Low | 63.8 | Low | 132 Ų | 132 | 109.5 Ų | 109.5 | 62% | 0.617 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -59.7 | -41.7 | 177.3 | -76.3 | -165.1 | 48.4 | 0 | 0 | 112.6 | S5 F6 K11 H12 A13 | S5-Q9 PolarHBondContact O-N 2.99Å; F6-Q9 PolarHBondContact O-N 2.81Å; Q9-K11 PolarHBondContact O-N 3.33Å; Q9-H12 PolarHBondContact O-N 2.83Å; Q9-A13 PolarHBondContact O-N 3.09Å |
| 10 | Y | 62.5 | Low | 64.8 | Low | 169 Ų | 169 | 107 Ų | 107 | 66% | 0.663 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.2 | -40.4 | 179.6 | -161.7 | -91.9 | 0 | 0 | 0 | 112.5 | F6 T8 A13 S14 | F6-Y10 PolarHBondContact O-N 3.33Å; T8-Y10 VanDerWaalsContact C-N 3.33Å; T8-Y10 PolarHBondContact O-N 2.86Å; Y10-A13 PolarHBondContact O-N 2.85Å; Y10-S14 WeakPolarHBondContact O-CB 3.43Å; Y10-S14 PolarHBondContact O-N 2.67Å |
| 11 | K | 63.5 | Low | 65.6 | Low | 155 Ų | 155 | 106.7 Ų | 106.7 | 67% | 0.674 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.5 | -40.4 | 176.6 | -73.1 | -175.6 | 179.6 | -174.4 | 0 | 112.3 | H7 T8 Q9 S15 | H7-K11 PolarHBondContact O-N 2.83Å; T8-K11 PolarHBondContact O-N 2.74Å; Q9-K11 PolarHBondContact O-N 3.33Å; K11-S15 PolarHBondContact O-N 2.98Å |
| 12 | H | 60.7 | Low | 66.9 | Low | 133 Ų | 133 | 102 Ų | 102 | 62% | 0.616 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.9 | -41.4 | 177.3 | -71.9 | -67.7 | 0 | 0 | 0 | 112.4 | T8 Q9 S15 A16 | T8-H12 PolarHBondContact O-CD2 2.96Å; T8-H12 PolarHBondContact O-N 2.65Å; T8-H12 VanDerWaalsContact O-N 3.17Å; Q9-H12 PolarHBondContact O-N 2.83Å; H12-S15 PolarHBondContact O-N 2.96Å; H12-A16 PolarHBondContact O-N 2.82Å |
| 13 | A | 58.4 | Low | 67.7 | Low | 64 Ų | 64 | 102 Ų | 102 | 53% | 0.529 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q9 Y10 S15 A16 A17 | Q9-A13 PolarHBondContact O-N 3.09Å; Y10-A13 PolarHBondContact O-N 2.85Å; A13-S15 VanDerWaalsContact C-N 3.33Å; A13-S15 PolarHBondContact O-N 2.72Å; A13-A16 PolarHBondContact O-N 3.13Å; A13-A17 PolarHBondContact O-N 3.34Å |
| 14 | S | 64.6 | Low | 68.5 | Low | 65 Ų | 65 | 99.9 Ų | 99.9 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63 | -38.3 | 177.6 | -177.7 | 0 | 0 | 0 | 0 | 112.4 | Y10 C18 | Y10-S14 WeakPolarHBondContact O-CB 3.43Å; Y10-S14 PolarHBondContact O-N 2.67Å; S14-C18 PolarHBondContact O-N 2.89Å; S14-C18 VanDerWaalsContact O-N 3.14Å; S14-C18 PolarHBondContact O-SG 3.14Å |
| 15 | S | 68.7 | Low | 69.3 | Low | 63 Ų | 63 | 97 Ų | 97 | 44% | 0.441 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 178 | 178.5 | 0 | 0 | 0 | 0 | 112.1 | K11 H12 A13 A17 C18 N19 | K11-S15 PolarHBondContact O-N 2.98Å; H12-S15 PolarHBondContact O-N 2.96Å; A13-S15 VanDerWaalsContact C-N 3.33Å; A13-S15 PolarHBondContact O-N 2.72Å; S15-A17 PolarHBondContact O-N 2.81Å; S15-C18 PolarHBondContact O-N 3.11Å; S15-N19 PolarHBondContact O-N 3.32Å; S15-N19 PolarHBondContact O-ND2 2.72Å |
| 16 | A | 68.3 | Low | 69.8 | Low | 63 Ų | 63 | 99.5 Ų | 99.5 | 52% | 0.521 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | H12 A13 N19 S20 | H12-A16 PolarHBondContact O-N 2.82Å; A13-A16 PolarHBondContact O-N 3.13Å; A16-N19 PolarHBondContact O-N 3.16Å; A16-S20 PolarHBondContact O-N 3.09Å |
| 17 | A | 72.4 | Confident | 70.5 | Confident | 54 Ų | 54 | 98.5 Ų | 98.5 | 45% | 0.446 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63 | -44.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A13 S15 N19 S20 I21 | A13-A17 PolarHBondContact O-N 3.34Å; S15-A17 PolarHBondContact O-N 2.81Å; A17-N19 VanDerWaalsContact C-N 3.34Å; A17-N19 PolarHBondContact O-N 3.35Å; A17-S20 PolarHBondContact O-N 2.97Å; A17-I21 WeakPolarHBondContact O-CG1 3.44Å; A17-I21 PolarHBondContact O-N 3.1Å; A17-I21 VanDerWaalsContact O-N 3.16Å |
| 18 | C | 72.7 | Confident | 70.7 | Confident | 69 Ų | 69 | 98.6 Ų | 98.6 | 47% | 0.466 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 176.2 | -71.6 | 0 | 0 | 0 | 0 | 112.2 | S14 S15 S20 I21 L22 | S14-C18 PolarHBondContact O-N 2.89Å; S14-C18 VanDerWaalsContact O-N 3.14Å; S14-C18 PolarHBondContact O-SG 3.14Å; S15-C18 PolarHBondContact O-N 3.11Å; C18-S20 VanDerWaalsContact C-N 3.34Å; C18-S20 PolarHBondContact O-N 3.23Å; C18-I21 PolarHBondContact O-N 3.26Å; C18-L22 WeakPolarHBondContact O-CG 3.21Å; C18-L22 PolarHBondContact O-N 2.81Å; C18-L22 VanDerWaalsContact O-N 3.14Å |
| 19 | N | 77.1 | Confident | 71.1 | Confident | 86 Ų | 86 | 101.8 Ų | 101.8 | 46% | 0.46 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.1 | -36.7 | 178.4 | -69.4 | -28.5 | 0 | 0 | 0 | 112.2 | S15 A16 A17 L22 L23 | S15-N19 PolarHBondContact O-N 3.32Å; S15-N19 PolarHBondContact O-ND2 2.72Å; A16-N19 PolarHBondContact O-N 3.16Å; A17-N19 VanDerWaalsContact C-N 3.34Å; A17-N19 PolarHBondContact O-N 3.35Å; N19-L22 PolarHBondContact O-N 3.06Å; N19-L23 WeakPolarHBondContact O-CD1 3.06Å; N19-L23 WeakPolarHBondContact O-CG 3.31Å; N19-L23 PolarHBondContact O-N 2.63Å |
| 20 | S | 83.8 | Confident | 71.2 | Confident | 60 Ų | 60 | 99.4 Ų | 99.4 | 42% | 0.42 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 176.1 | -178.1 | 0 | 0 | 0 | 0 | 112.3 | A16 A17 C18 L23 Q24 | A16-S20 PolarHBondContact O-N 3.09Å; A17-S20 PolarHBondContact O-N 2.97Å; C18-S20 VanDerWaalsContact C-N 3.34Å; C18-S20 PolarHBondContact O-N 3.23Å; S20-L23 PolarHBondContact O-N 2.83Å; S20-Q24 WeakPolarHBondContact O-CG 3.41Å; S20-Q24 PolarHBondContact O-N 3.3Å |
| 21 | I | 81.4 | Confident | 71.2 | Confident | 100 Ų | 100 | 97.5 Ų | 97.5 | 51% | 0.513 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 177.6 | -65.1 | 167.6 | 0 | 0 | 0 | 110.8 | A17 C18 L23 Q24 V25 | A17-I21 WeakPolarHBondContact O-CG1 3.44Å; A17-I21 PolarHBondContact O-N 3.1Å; A17-I21 VanDerWaalsContact O-N 3.16Å; C18-I21 PolarHBondContact O-N 3.26Å; I21-L23 VanDerWaalsContact C-N 3.31Å; I21-L23 PolarHBondContact O-N 3.06Å; I21-Q24 PolarHBondContact O-N 2.65Å; I21-V25 WeakPolarHBondContact O-CG2 3.27Å; I21-V25 PolarHBondContact O-N 3.19Å |
| 22 | L | 81.2 | Confident | 71.1 | Confident | 118 Ų | 118 | 92.2 Ų | 92.2 | 62% | 0.618 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.7 | -40 | 177.8 | -72.7 | 174.8 | 0 | 0 | 0 | 112.1 | C18 N19 V25 H26 | C18-L22 WeakPolarHBondContact O-CG 3.21Å; C18-L22 PolarHBondContact O-N 2.81Å; C18-L22 VanDerWaalsContact O-N 3.14Å; N19-L22 PolarHBondContact O-N 3.06Å; L22-V25 PolarHBondContact O-N 2.81Å; L22-H26 WeakPolarHBondContact O-CB 3.06Å; L22-H26 PolarHBondContact O-N 2.77Å |
| 23 | L | 78.7 | Confident | 71.3 | Confident | 115 Ų | 115 | 92.4 Ų | 92.4 | 60% | 0.602 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.8 | -40.9 | 174.6 | -78.9 | 158.9 | 0 | 0 | 0 | 112 | N19 S20 I21 H26 Q27 | N19-L23 WeakPolarHBondContact O-CD1 3.06Å; N19-L23 WeakPolarHBondContact O-CG 3.31Å; N19-L23 PolarHBondContact O-N 2.63Å; S20-L23 PolarHBondContact O-N 2.83Å; I21-L23 VanDerWaalsContact C-N 3.31Å; I21-L23 PolarHBondContact O-N 3.06Å; L23-H26 PolarHBondContact O-N 3.4Å; L23-Q27 WeakPolarHBondContact O-CG 3.26Å; L23-Q27 PolarHBondContact O-N 3.22Å |
| 24 | Q | 77.6 | Confident | 71.6 | Confident | 108 Ų | 108 | 99.8 Ų | 99.8 | 51% | 0.505 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 175.7 | -74.6 | 177.6 | -4 | 0 | 0 | 112 | S20 I21 H26 Q27 I28 | S20-Q24 WeakPolarHBondContact O-CG 3.41Å; S20-Q24 PolarHBondContact O-N 3.3Å; I21-Q24 PolarHBondContact O-N 2.65Å; Q24-H26 VanDerWaalsContact C-N 3.31Å; Q24-H26 PolarHBondContact O-N 3.33Å; Q24-Q27 PolarHBondContact O-N 3.11Å; Q24-I28 WeakPolarHBondContact O-CG1 3.42Å; Q24-I28 PolarHBondContact O-N 3.08Å |
| 25 | V | 76.7 | Confident | 71.5 | Confident | 74 Ų | 74 | 104.9 Ų | 104.9 | 45% | 0.448 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.7 | -39.3 | 177.1 | 174 | 0 | 0 | 0 | 0 | 111.2 | I21 L22 I28 K29 | I21-V25 WeakPolarHBondContact O-CG2 3.27Å; I21-V25 PolarHBondContact O-N 3.19Å; L22-V25 PolarHBondContact O-N 2.81Å; V25-I28 PolarHBondContact O-N 3.41Å; V25-K29 PolarHBondContact O-N 2.85Å; V25-K29 VanDerWaalsContact O-N 3.1Å |
| 26 | H | 76.1 | Confident | 71.1 | Confident | 121 Ų | 121 | 109.8 Ų | 109.8 | 56% | 0.56 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.2 | -43.3 | 174.8 | -173.4 | -83.4 | 0 | 0 | 0 | 111.7 | L22 L23 Q24 I28 K29 T30 | L22-H26 WeakPolarHBondContact O-CB 3.06Å; L22-H26 PolarHBondContact O-N 2.77Å; L23-H26 PolarHBondContact O-N 3.4Å; Q24-H26 VanDerWaalsContact C-N 3.31Å; Q24-H26 PolarHBondContact O-N 3.33Å; H26-I28 PolarHBondContact O-N 3.24Å; H26-K29 PolarHBondContact O-N 3.41Å; H26-T30 PolarHBondContact O-N 2.92Å; H26-T30 VanDerWaalsContact O-N 3.17Å; H26-T30 PolarHBondContact O-OG1 3.17Å |
| 27 | Q | 72.4 | Confident | 70.8 | Confident | 132 Ų | 132 | 111.4 Ų | 111.4 | 62% | 0.617 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -57.8 | -47.7 | 174.7 | -77.9 | -174.5 | -32.9 | 0 | 0 | 111.3 | L23 Q24 K29 T30 V31 | L23-Q27 WeakPolarHBondContact O-CG 3.26Å; L23-Q27 PolarHBondContact O-N 3.22Å; Q24-Q27 PolarHBondContact O-N 3.11Å; Q27-K29 VanDerWaalsContact C-N 3.35Å; Q27-K29 PolarHBondContact O-N 2.89Å; Q27-T30 PolarHBondContact O-N 3.37Å; Q27-T30 PolarHBondContact O-OG1 3.18Å; Q27-V31 WeakPolarHBondContact O-CG2 3.4Å; Q27-V31 PolarHBondContact O-N 3.41Å |
| 28 | I | 65.9 | Low | 70.3 | Confident | 113 Ų | 113 | 114.7 Ų | 114.7 | 58% | 0.579 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -57 | -49 | 178.5 | -66.2 | 165.1 | 0 | 0 | 0 | 110.7 | Q24 V25 H26 T30 V31 S32 | Q24-I28 WeakPolarHBondContact O-CG1 3.42Å; Q24-I28 PolarHBondContact O-N 3.08Å; V25-I28 PolarHBondContact O-N 3.41Å; H26-I28 PolarHBondContact O-N 3.24Å; I28-T30 VanDerWaalsContact C-N 3.29Å; I28-T30 PolarHBondContact O-N 3.42Å; I28-V31 PolarHBondContact O-N 3.04Å; I28-V31 VanDerWaalsContact O-N 3.12Å; I28-S32 PolarHBondContact O-N 2.66Å; I28-S32 PolarHBondContact O-OG 2.89Å |
| 29 | K | 69 | Low | 69.7 | Low | 144 Ų | 144 | 116 Ų | 116 | 63% | 0.626 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -55.7 | -41.7 | 179.9 | -84.5 | -175.9 | 176.4 | -178.4 | 0 | 113 | V25 H26 Q27 V31 S32 | V25-K29 PolarHBondContact O-N 2.85Å; V25-K29 VanDerWaalsContact O-N 3.1Å; H26-K29 PolarHBondContact O-N 3.41Å; Q27-K29 VanDerWaalsContact C-N 3.35Å; Q27-K29 PolarHBondContact O-N 2.89Å; K29-V31 VanDerWaalsContact C-N 3.34Å; K29-V31 PolarHBondContact O-N 3.3Å; K29-S32 PolarHBondContact O-N 2.8Å; K29-S32 PolarHBondContact O-OG 3.32Å |
| 30 | T | 63.9 | Low | 69 | Low | 82 Ų | 82 | 117.6 Ų | 117.6 | 50% | 0.503 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -70.3 | -27.4 | -179.1 | 55.8 | 0 | 0 | 0 | 0 | 114.1 | H26 Q27 I28 | H26-T30 PolarHBondContact O-N 2.92Å; H26-T30 VanDerWaalsContact O-N 3.17Å; H26-T30 PolarHBondContact O-OG1 3.17Å; Q27-T30 PolarHBondContact O-N 3.37Å; Q27-T30 PolarHBondContact O-OG1 3.18Å; I28-T30 VanDerWaalsContact C-N 3.29Å; I28-T30 PolarHBondContact O-N 3.42Å |
| 31 | V | 62.8 | Low | 68 | Low | 128 Ų | 128 | 117 Ų | 117 | 78% | 0.776 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -83.9 | -29.6 | 176.7 | -168.2 | 0 | 0 | 0 | 0 | 111 | Q27 I28 K29 D33 | Q27-V31 WeakPolarHBondContact O-CG2 3.4Å; Q27-V31 PolarHBondContact O-N 3.41Å; I28-V31 PolarHBondContact O-N 3.04Å; I28-V31 VanDerWaalsContact O-N 3.12Å; K29-V31 VanDerWaalsContact C-N 3.34Å; K29-V31 PolarHBondContact O-N 3.3Å; V31-D33 VanDerWaalsContact C-N 3.33Å; V31-D33 PolarHBondContact O-N 3.49Å |
| 32 | S | 61 | Low | 67.4 | Low | 45 Ų | 45 | 117.5 Ų | 117.5 | 32% | 0.315 | 59% | 0.594 | S | S | . | * | trans | -94.8 | 35.2 | -179.1 | 63.8 | 0 | 0 | 0 | 0 | 113.2 | I28 K29 W34 | I28-S32 PolarHBondContact O-N 2.66Å; I28-S32 PolarHBondContact O-OG 2.89Å; K29-S32 PolarHBondContact O-N 2.8Å; K29-S32 PolarHBondContact O-OG 3.32Å; S32-W34 PolarHBondContact O-N 2.93Å | ||
| 33 | D | 65 | Low | 66.7 | Low | 137 Ų | 137 | 116.2 Ų | 116.2 | 73% | 0.733 | 59% | 0.585 | S | S | * | * | trans | -66 | 82.8 | 162.4 | -100 | -5.3 | 0 | 0 | 0 | 107.1 | V31 R35 | V31-D33 VanDerWaalsContact C-N 3.33Å; V31-D33 PolarHBondContact O-N 3.49Å; D33-R35 PolarHBondContact O-N 3.29Å | ||
| 34 | W | 63.4 | Low | 66.2 | Low | 218 Ų | 218 | 115.5 Ų | 115.5 | 83% | 0.826 | 58% | 0.578 | S | S | * | * | trans | -65.7 | 83 | 171.5 | -65 | 100.9 | 0 | 0 | 0 | 107.2 | S32 F36 | S32-W34 PolarHBondContact O-N 2.93Å; W34-F36 PolarHBondContact O-N 3.48Å; W34-F36 VanDerWaalsContact O-N 3.17Å | ||
| 35 | R | 64 | Low | 65.7 | Low | 173 Ų | 173 | 118.3 Ų | 118.3 | 65% | 0.653 | 58% | 0.584 | S | S | * | * | trans | -69.7 | 111.6 | 172.2 | -121.1 | -171.9 | 145.8 | 177.6 | -7.8 | 107.3 | D33 D37 D38 | D33-R35 PolarHBondContact O-N 3.29Å; R35-D37 IonicContact CZ-OD2 3.11Å; R35-D37 IonicContact NE-OD2 2.72Å; R35-D37 PolarHBondContact NE-OD2 3.22Å; R35-D37 IonicContact NH2-OD2 2.87Å; R35-D37 PolarHBondContact NH2-OD2 3.38Å; R35-D37 PolarHBondContact O-N 3.21Å; R35-D37 VanDerWaalsContact O-N 3.12Å; R35-D38 PolarHBondContact O-N 3.29Å | ||
| 36 | F | 59.4 | Low | 65.7 | Low | 165 Ų | 165 | 117 Ų | 117 | 72% | 0.724 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -16.9 | 172.9 | -69.6 | -73.3 | 0 | 0 | 0 | 112.5 | W34 D38 I39 | W34-F36 PolarHBondContact O-N 3.48Å; W34-F36 VanDerWaalsContact O-N 3.17Å; F36-D38 PolarHBondContact O-N 2.93Å; F36-I39 HydrophobicContact CD1-CD1 3.95Å; F36-I39 PolarHBondContact O-N 3.04Å |
| 37 | D | 63.2 | Low | 65.5 | Low | 97 Ų | 97 | 117.8 Ų | 117.8 | 52% | 0.519 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.1 | -21.3 | 178.5 | -61 | -29.1 | 0 | 0 | 0 | 113.2 | R35 | R35-D37 IonicContact CZ-OD2 3.11Å; R35-D37 IonicContact NE-OD2 2.72Å; R35-D37 PolarHBondContact NE-OD2 3.22Å; R35-D37 IonicContact NH2-OD2 2.87Å; R35-D37 PolarHBondContact NH2-OD2 3.38Å; R35-D37 PolarHBondContact O-N 3.21Å; R35-D37 VanDerWaalsContact O-N 3.12Å |
| 38 | D | 61.2 | Low | 65.6 | Low | 124 Ų | 124 | 116.4 Ų | 116.4 | 66% | 0.663 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -83.6 | -7.3 | -179 | -71 | -29.2 | 0 | 0 | 0 | 114.3 | R35 F36 N42 | R35-D38 PolarHBondContact O-N 3.29Å; F36-D38 PolarHBondContact O-N 2.93Å; D38-N42 PolarHBondContact O-N 3.46Å |
| 39 | I | 60.2 | Low | 66.1 | Low | 97 Ų | 97 | 117.1 Ų | 117.1 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.5 | -40.5 | 179.8 | -64.7 | 176.2 | 0 | 0 | 0 | 110.4 | F36 G41 N42 E43 | F36-I39 HydrophobicContact CD1-CD1 3.95Å; F36-I39 PolarHBondContact O-N 3.04Å; I39-G41 VanDerWaalsContact C-N 3.32Å; I39-G41 PolarHBondContact O-N 3.17Å; I39-N42 PolarHBondContact O-N 3.35Å; I39-E43 PolarHBondContact O-N 3.18Å |
| 40 | D | 62.1 | Low | 66.5 | Low | 118 Ų | 118 | 115.3 Ų | 115.3 | 63% | 0.631 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.7 | -36.1 | -176.7 | -56.9 | -12.8 | 0 | 0 | 0 | 111.5 | E43 E44 | D40-E43 PolarHBondContact O-N 3.17Å; D40-E44 PolarHBondContact O-N 3.38Å |
| 41 | G | 62.8 | Low | 67.2 | Low | 47 Ų | 47 | 113.5 Ų | 113.5 | 49% | 0.485 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.9 | -32.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I39 R45 | I39-G41 VanDerWaalsContact C-N 3.32Å; I39-G41 PolarHBondContact O-N 3.17Å; G41-R45 PolarHBondContact O-N 2.92Å |
| 42 | N | 68 | Low | 67.9 | Low | 111 Ų | 111 | 111.6 Ų | 111.6 | 59% | 0.594 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -70.6 | -38.2 | 176.9 | -177.9 | 47.1 | 0 | 0 | 0 | 111.7 | D38 I39 E44 R45 A46 | D38-N42 PolarHBondContact O-N 3.46Å; I39-N42 PolarHBondContact O-N 3.35Å; N42-E44 PolarHBondContact O-N 2.95Å; N42-R45 PolarHBondContact O-N 3.46Å; N42-A46 WeakPolarHBondContact O-CB 3.38Å; N42-A46 PolarHBondContact O-N 2.92Å |
| 43 | E | 66.8 | Low | 68.7 | Low | 91 Ų | 91 | 116.1 Ų | 116.1 | 43% | 0.425 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.3 | -43.6 | 176.3 | -72.2 | -164.5 | -179 | 0 | 0 | 112 | I39 D40 R45 A46 R47 | I39-E43 PolarHBondContact O-N 3.18Å; D40-E43 PolarHBondContact O-N 3.17Å; E43-R45 VanDerWaalsContact C-N 3.31Å; E43-R45 PolarHBondContact O-N 3.24Å; E43-A46 CarbonylContact O-C 3.58Å; E43-A46 PolarHBondContact O-N 2.87Å; E43-R47 WeakPolarHBondContact O-CB 3.44Å; E43-R47 VanDerWaalsContact O-CG 3.29Å; E43-R47 WeakPolarHBondContact O-CG 3.43Å; E43-R47 PolarHBondContact O-N 3.4Å; E43-R47 IonicContact OE2-CZ 3.33Å; E43-R47 IonicContact OE2-NH1 2.99Å; E43-R47 PolarHBondContact OE2-NH1 3.34Å; E43-R47 IonicContact OE2-NH2 2.87Å; E43-R47 PolarHBondContact OE2-NH2 3.05Å |
| 44 | E | 68.4 | Low | 68.8 | Low | 100 Ų | 100 | 115.8 Ų | 115.8 | 47% | 0.467 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.4 | -37.2 | 179.7 | -169.7 | 56.6 | -154 | 0 | 0 | 111.5 | D40 N42 R47 M48 | D40-E44 PolarHBondContact O-N 3.38Å; N42-E44 PolarHBondContact O-N 2.95Å; E44-R47 PolarHBondContact O-N 2.85Å; E44-M48 WeakPolarHBondContact O-CB 3.43Å; E44-M48 WeakPolarHBondContact O-CG 3.44Å; E44-M48 PolarHBondContact O-N 3.44Å |
| 45 | R | 68.5 | Low | 69.2 | Low | 168 Ų | 168 | 111.3 Ų | 111.3 | 63% | 0.634 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.2 | -45.7 | 172.4 | -143.1 | -178.4 | -160.2 | 121.5 | 0.6 | 111.2 | G41 N42 E43 M48 E49 | G41-R45 PolarHBondContact O-N 2.92Å; N42-R45 PolarHBondContact O-N 3.46Å; E43-R45 VanDerWaalsContact C-N 3.31Å; E43-R45 PolarHBondContact O-N 3.24Å; R45-M48 PolarHBondContact O-N 3.21Å; R45-E49 WeakPolarHBondContact O-CG 3.25Å; R45-E49 PolarHBondContact O-N 3.28Å |
| 46 | A | 75.1 | Confident | 69.4 | Low | 45 Ų | 45 | 106.7 Ų | 106.7 | 37% | 0.372 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64 | -39.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N42 E43 E49 L50 | N42-A46 WeakPolarHBondContact O-CB 3.38Å; N42-A46 PolarHBondContact O-N 2.92Å; E43-A46 CarbonylContact O-C 3.58Å; E43-A46 PolarHBondContact O-N 2.87Å; A46-E49 PolarHBondContact O-N 3.43Å; A46-L50 WeakPolarHBondContact O-CB 3.21Å; A46-L50 PolarHBondContact O-N 2.89Å |
| 47 | R | 73 | Confident | 69.5 | Low | 139 Ų | 139 | 102.6 Ų | 102.6 | 53% | 0.525 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 174 | -76.8 | -179.3 | 177.9 | 108.8 | 13.8 | 111.1 | E43 E44 L50 A51 | E43-R47 WeakPolarHBondContact O-CB 3.44Å; E43-R47 VanDerWaalsContact O-CG 3.29Å; E43-R47 WeakPolarHBondContact O-CG 3.43Å; E43-R47 PolarHBondContact O-N 3.4Å; E43-R47 IonicContact OE2-CZ 3.33Å; E43-R47 IonicContact OE2-NH1 2.99Å; E43-R47 PolarHBondContact OE2-NH1 3.34Å; E43-R47 IonicContact OE2-NH2 2.87Å; E43-R47 PolarHBondContact OE2-NH2 3.05Å; E44-R47 PolarHBondContact O-N 2.85Å; R47-L50 PolarHBondContact O-N 2.81Å; R47-A51 WeakPolarHBondContact O-CB 3.49Å; R47-A51 PolarHBondContact O-N 2.99Å |
| 48 | M | 73.9 | Confident | 69.3 | Low | 102 Ų | 102 | 99.7 Ų | 99.7 | 50% | 0.502 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 176.1 | -78.3 | -160.2 | -76.7 | 0 | 0 | 112.3 | E44 R45 A51 N52 | E44-M48 WeakPolarHBondContact O-CB 3.43Å; E44-M48 WeakPolarHBondContact O-CG 3.44Å; E44-M48 PolarHBondContact O-N 3.44Å; R45-M48 PolarHBondContact O-N 3.21Å; M48-A51 PolarHBondContact O-N 2.87Å; M48-N52 WeakPolarHBondContact O-CB 3.39Å; M48-N52 PolarHBondContact O-N 3.23Å; M48-N52 PolarHBondContact O-ND2 2.87Å |
| 49 | E | 76.7 | Confident | 69.4 | Low | 129 Ų | 129 | 99.1 Ų | 99.1 | 60% | 0.603 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.1 | -44 | 175.1 | -75.3 | -179.2 | -175.5 | 0 | 0 | 111.6 | R45 A46 N52 F53 | R45-E49 WeakPolarHBondContact O-CG 3.25Å; R45-E49 PolarHBondContact O-N 3.28Å; A46-E49 PolarHBondContact O-N 3.43Å; E49-N52 PolarHBondContact O-N 3.34Å; E49-F53 PolarHBondContact O-N 2.75Å |
| 50 | L | 77.5 | Confident | 69.3 | Low | 105 Ų | 105 | 101.6 Ų | 101.6 | 55% | 0.55 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 176.6 | -166 | 144.3 | 0 | 0 | 0 | 111 | A46 R47 N52 F53 Y54 | A46-L50 WeakPolarHBondContact O-CB 3.21Å; A46-L50 PolarHBondContact O-N 2.89Å; R47-L50 PolarHBondContact O-N 2.81Å; L50-N52 VanDerWaalsContact C-N 3.3Å; L50-N52 PolarHBondContact O-N 3.49Å; L50-F53 WeakPolarHBondContact O-CB 3.19Å; L50-F53 PolarHBondContact O-N 3.34Å; L50-Y54 HydrophobicContact CD1-CE2 4.45Å; L50-Y54 HydrophobicContact CD2-CD2 3.54Å; L50-Y54 HydrophobicContact CD2-CE2 3.59Å; L50-Y54 HydrophobicContact CG-CD2 3.93Å; L50-Y54 HydrophobicContact CG-CE2 3.74Å; L50-Y54 WeakPolarHBondContact O-CD2 3.43Å; L50-Y54 PolarHBondContact O-N 3.21Å |
| 51 | A | 77.9 | Confident | 69 | Low | 45 Ų | 45 | 104 Ų | 104 | 37% | 0.372 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.2 | -42.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R47 M48 F53 Y54 K55 | R47-A51 WeakPolarHBondContact O-CB 3.49Å; R47-A51 PolarHBondContact O-N 2.99Å; M48-A51 PolarHBondContact O-N 2.87Å; A51-F53 VanDerWaalsContact C-N 3.33Å; A51-F53 PolarHBondContact O-N 3.46Å; A51-Y54 PolarHBondContact O-N 3.38Å; A51-K55 VanDerWaalsContact O-CG 3.25Å; A51-K55 WeakPolarHBondContact O-CG 3.25Å; A51-K55 PolarHBondContact O-N 2.87Å |
| 52 | N | 78.1 | Confident | 68.8 | Low | 87 Ų | 87 | 108.1 Ų | 108.1 | 47% | 0.465 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.8 | -36.2 | 177 | -70.2 | -24.8 | 0 | 0 | 0 | 112.7 | M48 E49 L50 K55 P56 | M48-N52 WeakPolarHBondContact O-CB 3.39Å; M48-N52 PolarHBondContact O-N 3.23Å; M48-N52 PolarHBondContact O-ND2 2.87Å; E49-N52 PolarHBondContact O-N 3.34Å; L50-N52 VanDerWaalsContact C-N 3.3Å; L50-N52 PolarHBondContact O-N 3.49Å; N52-K55 PolarHBondContact OD1-NZ 3.46Å; N52-P56 VanDerWaalsContact O-CD 3.25Å; N52-P56 WeakPolarHBondContact O-CD 3.36Å |
| 53 | F | 76.8 | Confident | 68.5 | Low | 141 Ų | 141 | 109.2 Ų | 109.2 | 62% | 0.618 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.7 | -39.5 | 175.1 | -174.3 | -98 | 0 | 0 | 0 | 112.8 | E49 L50 A51 P56 | E49-F53 PolarHBondContact O-N 2.75Å; L50-F53 WeakPolarHBondContact O-CB 3.19Å; L50-F53 PolarHBondContact O-N 3.34Å; A51-F53 VanDerWaalsContact C-N 3.33Å; A51-F53 PolarHBondContact O-N 3.46Å; F53-P56 WeakPolarHBondContact O-CD 3.32Å; F53-P56 WeakPolarHBondContact O-CG 3.39Å |
| 54 | Y | 67.8 | Low | 68.1 | Low | 129 Ų | 129 | 111.3 Ų | 111.3 | 51% | 0.506 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -86.2 | -20.4 | -178.8 | -72.9 | -75.8 | 0 | 0 | 0 | 115 | L50 A51 L57 G58 | L50-Y54 HydrophobicContact CD1-CE2 4.45Å; L50-Y54 HydrophobicContact CD2-CD2 3.54Å; L50-Y54 HydrophobicContact CD2-CE2 3.59Å; L50-Y54 HydrophobicContact CG-CD2 3.93Å; L50-Y54 HydrophobicContact CG-CE2 3.74Å; L50-Y54 WeakPolarHBondContact O-CD2 3.43Å; L50-Y54 PolarHBondContact O-N 3.21Å; A51-Y54 PolarHBondContact O-N 3.38Å; Y54-L57 HydrophobicContact CD1-CD1 3.6Å; Y54-L57 HydrophobicContact CE1-CD1 4.02Å; Y54-L57 WeakPolarHBondContact O-CB 3.29Å; Y54-L57 PolarHBondContact O-N 3.42Å; Y54-G58 PolarHBondContact O-N 3.39Å |
| 55 | K | 72.1 | Confident | 67.7 | Low | 125 Ų | 125 | 113.1 Ų | 113.1 | 54% | 0.543 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -46.1 | -52.5 | 173.9 | -86.5 | 171.5 | -166.2 | 170.9 | 0 | 113.4 | A51 N52 L57 G58 | A51-K55 VanDerWaalsContact O-CG 3.25Å; A51-K55 WeakPolarHBondContact O-CG 3.25Å; A51-K55 PolarHBondContact O-N 2.87Å; N52-K55 PolarHBondContact OD1-NZ 3.46Å; K55-L57 VanDerWaalsContact C-N 3.31Å; K55-L57 PolarHBondContact O-N 3.17Å; K55-G58 PolarHBondContact O-N 3.34Å |
| 56 | P | 67.2 | Low | 67.2 | Low | 75 Ų | 75 | 113.9 Ų | 113.9 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.4 | -28.8 | 179.6 | 23.9 | -33 | 0 | 0 | 0 | 114 | N52 F53 G58 H59 | N52-P56 VanDerWaalsContact O-CD 3.25Å; N52-P56 WeakPolarHBondContact O-CD 3.36Å; F53-P56 WeakPolarHBondContact O-CD 3.32Å; F53-P56 WeakPolarHBondContact O-CG 3.39Å; P56-G58 VanDerWaalsContact C-N 3.3Å; P56-G58 PolarHBondContact O-N 3.25Å; P56-H59 PolarHBondContact O-N 3.46Å |
| 57 | L | 61.8 | Low | 66.3 | Low | 79 Ų | 79 | 115.7 Ų | 115.7 | 41% | 0.414 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.2 | -31.4 | 175.8 | -72 | 163.9 | 0 | 0 | 0 | 111.8 | Y54 K55 H59 K60 | Y54-L57 HydrophobicContact CD1-CD1 3.6Å; Y54-L57 HydrophobicContact CE1-CD1 4.02Å; Y54-L57 WeakPolarHBondContact O-CB 3.29Å; Y54-L57 PolarHBondContact O-N 3.42Å; K55-L57 VanDerWaalsContact C-N 3.31Å; K55-L57 PolarHBondContact O-N 3.17Å; L57-H59 VanDerWaalsContact C-N 3.32Å; L57-H59 PolarHBondContact O-N 3.34Å; L57-K60 PolarHBondContact O-N 3.41Å |
| 58 | G | 60.3 | Low | 65.6 | Low | 36 Ų | 36 | 112.4 Ų | 112.4 | 37% | 0.371 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61 | -38.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y54 K55 P56 K60 K61 Q62 | Y54-G58 PolarHBondContact O-N 3.39Å; K55-G58 PolarHBondContact O-N 3.34Å; P56-G58 VanDerWaalsContact C-N 3.3Å; P56-G58 PolarHBondContact O-N 3.25Å; G58-K60 VanDerWaalsContact C-N 3.31Å; G58-K60 PolarHBondContact O-N 3.45Å; G58-K61 PolarHBondContact O-N 2.75Å; G58-Q62 PolarHBondContact O-N 3.17Å |
| 59 | H | 61.8 | Low | 64.8 | Low | 112 Ų | 112 | 112.3 Ų | 112.3 | 52% | 0.519 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.9 | -31.8 | 178.3 | -59.4 | -50.3 | 0 | 0 | 0 | 112.7 | P56 L57 K61 Q62 Q63 | P56-H59 PolarHBondContact O-N 3.46Å; L57-H59 VanDerWaalsContact C-N 3.32Å; L57-H59 PolarHBondContact O-N 3.34Å; H59-K61 PolarHBondContact O-N 3.41Å; H59-Q62 PolarHBondContact O-N 2.77Å; H59-Q63 WeakPolarHBondContact O-CG 3.4Å; H59-Q63 PolarHBondContact O-N 3.12Å |
| 60 | K | 57.9 | Low | 64 | Low | 150 Ų | 150 | 110.3 Ų | 110.3 | 65% | 0.652 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.8 | -38.8 | 174.6 | -71.9 | -175.7 | 179.8 | 177.7 | 0 | 112.2 | L57 G58 Q63 F64 | L57-K60 PolarHBondContact O-N 3.41Å; G58-K60 VanDerWaalsContact C-N 3.31Å; G58-K60 PolarHBondContact O-N 3.45Å; K60-Q63 PolarHBondContact O-N 2.91Å; K60-F64 PolarHBondContact O-N 3.42Å |
| 61 | K | 56.9 | Low | 62.9 | Low | 168 Ų | 168 | 109.3 Ų | 109.3 | 73% | 0.73 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.1 | -43.6 | 174 | -76.9 | -170.4 | 175.2 | -176.9 | 0 | 111.6 | G58 H59 Q63 F64 E65 | G58-K61 PolarHBondContact O-N 2.75Å; H59-K61 PolarHBondContact O-N 3.41Å; K61-Q63 VanDerWaalsContact C-N 3.3Å; K61-Q63 PolarHBondContact O-N 3.02Å; K61-F64 PolarHBondContact O-N 2.97Å; K61-E65 PolarHBondContact O-N 3.25Å |
| 62 | Q | 59.1 | Low | 61.7 | Low | 134 Ų | 134 | 118.1 Ų | 118.1 | 63% | 0.626 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.8 | -37 | 176.6 | -68 | -176.9 | -11.1 | 0 | 0 | 112.4 | G58 H59 E65 R66 | G58-Q62 PolarHBondContact O-N 3.17Å; H59-Q62 PolarHBondContact O-N 2.77Å; Q62-E65 PolarHBondContact O-N 3.38Å; Q62-R66 WeakPolarHBondContact O-CB 3.46Å; Q62-R66 PolarHBondContact O-N 3.12Å |
| 63 | Q | 61.5 | Low | 60.5 | Low | 133 Ų | 133 | 118 Ų | 118 | 62% | 0.621 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.4 | -40.1 | 175.4 | -74 | -158.3 | -10.1 | 0 | 0 | 112.4 | H59 K60 K61 R66 I67 | H59-Q63 WeakPolarHBondContact O-CG 3.4Å; H59-Q63 PolarHBondContact O-N 3.12Å; K60-Q63 PolarHBondContact O-N 2.91Å; K61-Q63 VanDerWaalsContact C-N 3.3Å; K61-Q63 PolarHBondContact O-N 3.02Å; Q63-R66 PolarHBondContact O-N 2.87Å; Q63-I67 VanDerWaalsContact O-CG1 3.27Å; Q63-I67 WeakPolarHBondContact O-CG1 3.42Å; Q63-I67 PolarHBondContact O-N 2.72Å |
| 64 | F | 58.9 | Low | 59.5 | Low | 136 Ų | 136 | 117.4 Ų | 117.4 | 60% | 0.596 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.7 | -45.5 | 176 | -177.4 | -100.4 | 0 | 0 | 0 | 111.7 | K60 K61 R66 I67 V68 | K60-F64 PolarHBondContact O-N 3.42Å; K61-F64 PolarHBondContact O-N 2.97Å; F64-R66 VanDerWaalsContact C-N 3.32Å; F64-R66 PolarHBondContact O-N 3.1Å; F64-I67 PolarHBondContact O-N 3.42Å; F64-V68 HydrophobicContact CD1-CG2 4.42Å; F64-V68 HydrophobicContact CE1-CG2 4.04Å; F64-V68 HydrophobicContact CZ-CG2 4.1Å; F64-V68 WeakPolarHBondContact O-CG2 3.43Å; F64-V68 PolarHBondContact O-N 2.99Å |
| 65 | E | 59.4 | Low | 58.9 | Low | 137 Ų | 137 | 114.7 Ų | 114.7 | 64% | 0.64 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.1 | -34.5 | 177 | -65.2 | -154.2 | 167.1 | 0 | 0 | 112.9 | K61 Q62 V68 S69 | K61-E65 PolarHBondContact O-N 3.25Å; Q62-E65 PolarHBondContact O-N 3.38Å; E65-V68 PolarHBondContact O-N 3.22Å; E65-S69 WeakPolarHBondContact O-CB 3.43Å; E65-S69 PolarHBondContact O-N 2.91Å; E65-S69 PolarHBondContact O-OG 3.31Å |
| 66 | R | 57.1 | Low | 58 | Low | 185 Ų | 185 | 115 Ų | 115 | 70% | 0.698 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.4 | -40.1 | 173.9 | -169.4 | 175.3 | -165.5 | -149.5 | 4.4 | 111.6 | Q62 Q63 F64 S69 T70 | Q62-R66 WeakPolarHBondContact O-CB 3.46Å; Q62-R66 PolarHBondContact O-N 3.12Å; Q63-R66 PolarHBondContact O-N 2.87Å; F64-R66 VanDerWaalsContact C-N 3.32Å; F64-R66 PolarHBondContact O-N 3.1Å; R66-S69 PolarHBondContact O-N 3.48Å; R66-T70 WeakPolarHBondContact CG-OG1 3.44Å; R66-T70 VanDerWaalsContact O-CB 3.26Å; R66-T70 WeakPolarHBondContact O-CB 3.37Å; R66-T70 PolarHBondContact O-N 3.27Å; R66-T70 PolarHBondContact O-OG1 3.46Å |
| 67 | I | 57.2 | Low | 57.4 | Low | 82 Ų | 82 | 117.2 Ų | 117.2 | 42% | 0.421 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -61.9 | -46.3 | 175.8 | -70.2 | 164.3 | 0 | 0 | 0 | 109.7 | Q63 F64 S69 N71 | Q63-I67 VanDerWaalsContact O-CG1 3.27Å; Q63-I67 WeakPolarHBondContact O-CG1 3.42Å; Q63-I67 PolarHBondContact O-N 2.72Å; F64-I67 PolarHBondContact O-N 3.42Å; I67-S69 VanDerWaalsContact C-N 3.31Å; I67-S69 PolarHBondContact O-N 2.77Å; I67-N71 WeakPolarHBondContact O-CA 3.48Å; I67-N71 WeakPolarHBondContact O-CB 3.42Å; I67-N71 PolarHBondContact O-N 3.28Å |
| 68 | V | 57.1 | Low | 57.2 | Low | 71 Ų | 71 | 122 Ų | 122 | 43% | 0.43 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.3 | -35.7 | 178.2 | 177.5 | 0 | 0 | 0 | 0 | 112 | F64 E65 | F64-V68 HydrophobicContact CD1-CG2 4.42Å; F64-V68 HydrophobicContact CE1-CG2 4.04Å; F64-V68 HydrophobicContact CZ-CG2 4.1Å; F64-V68 WeakPolarHBondContact O-CG2 3.43Å; F64-V68 PolarHBondContact O-N 2.99Å; E65-V68 PolarHBondContact O-N 3.22Å |
| 69 | S | 57.5 | Low | 57 | Low | 99 Ų | 99 | 128.5 Ų | 128.5 | 69% | 0.692 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -79.3 | -36.9 | -180 | -58.5 | 0 | 0 | 0 | 0 | 113.6 | E65 R66 I67 | E65-S69 WeakPolarHBondContact O-CB 3.43Å; E65-S69 PolarHBondContact O-N 2.91Å; E65-S69 PolarHBondContact O-OG 3.31Å; R66-S69 PolarHBondContact O-N 3.48Å; I67-S69 VanDerWaalsContact C-N 3.31Å; I67-S69 PolarHBondContact O-N 2.77Å |
| 70 | T | 59.8 | Low | 56.6 | Low | 88 Ų | 88 | 128 Ų | 128 | 54% | 0.54 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -92.1 | -41 | -172.9 | -37.4 | 0 | 0 | 0 | 0 | 111.2 | R66 R72 | R66-T70 WeakPolarHBondContact CG-OG1 3.44Å; R66-T70 VanDerWaalsContact O-CB 3.26Å; R66-T70 WeakPolarHBondContact O-CB 3.37Å; R66-T70 PolarHBondContact O-N 3.27Å; R66-T70 PolarHBondContact O-OG1 3.46Å; T70-R72 PolarHBondContact O-N 3.48Å; T70-R72 VanDerWaalsContact O-N 3.11Å |
| 71 | N | 55 | Low | 56.4 | Low | 83 Ų | 83 | 129 Ų | 129 | 44% | 0.444 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -85.1 | 94.9 | 171.6 | -59.8 | -9.2 | 0 | 0 | 0 | 105.6 | I67 L73 | I67-N71 WeakPolarHBondContact O-CA 3.48Å; I67-N71 WeakPolarHBondContact O-CB 3.42Å; I67-N71 PolarHBondContact O-N 3.28Å; N71-L73 HydrophobicContact CB-CD2 4.19Å; N71-L73 HydrophobicContact CB-CG 3.9Å; N71-L73 PolarHBondContact O-N 3.17Å |
| 72 | R | 51.5 | Low | 56.5 | Low | 231 Ų | 231 | 127.5 Ų | 127.5 | 87% | 0.872 | 65% | 0.646 | S | S | * | * | trans | -53.5 | 68.5 | 152.2 | -61.9 | 173.7 | -177.8 | -92.6 | 0.5 | 108 | T70 P74 | T70-R72 PolarHBondContact O-N 3.48Å; T70-R72 VanDerWaalsContact O-N 3.11Å; R72-P74 WeakPolarHBondContact O-CD 3.48Å | ||
| 73 | L | 53.8 | Low | 56.1 | Low | 84 Ų | 84 | 130.5 Ų | 130.5 | 44% | 0.44 | 65% | 0.651 | S | S | . | * | trans | -67.4 | 103.9 | 171.9 | -72.6 | 178.3 | 0 | 0 | 0 | 104.1 | N71 G75 L76 | N71-L73 HydrophobicContact CB-CD2 4.19Å; N71-L73 HydrophobicContact CB-CG 3.9Å; N71-L73 PolarHBondContact O-N 3.17Å; L73-G75 VanDerWaalsContact C-N 3.28Å; L73-G75 PolarHBondContact O-N 3.29Å; L73-L76 HydrophobicContact CB-CB 4.39Å; L73-L76 HydrophobicContact CD1-CD1 4.18Å; L73-L76 PolarHBondContact O-N 3.14Å | ||
| 74 | P | 56.5 | Low | 55.8 | Low | 129 Ų | 129 | 129 Ų | 129 | 84% | 0.838 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 94.5 | -176.8 | 29.6 | -25.4 | 0 | 0 | 0 | 106.2 | R72 | R72-P74 WeakPolarHBondContact O-CD 3.48Š|
| 75 | G | 55.4 | Low | 55.7 | Low | 71 Ų | 71 | 130.3 Ų | 130.3 | 73% | 0.732 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 144 | -18.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L73 | L73-G75 VanDerWaalsContact C-N 3.28Å; L73-G75 PolarHBondContact O-N 3.29Å |
| 76 | L | 53.2 | Low | 55.5 | Low | 132 Ų | 132 | 130.1 Ų | 130.1 | 69% | 0.691 | 66% | 0.664 | S | S | * | * | trans | -112.2 | 24.5 | 176.3 | -89.4 | 164.4 | 0 | 0 | 0 | 112.5 | L73 K78 | L73-L76 HydrophobicContact CB-CB 4.39Å; L73-L76 HydrophobicContact CD1-CD1 4.18Å; L73-L76 PolarHBondContact O-N 3.14Å; L76-K78 PolarHBondContact O-N 3.43Å | ||
| 77 | D | 54.4 | Low | 55.3 | Low | 122 Ų | 122 | 123.4 Ų | 123.4 | 65% | 0.652 | 65% | 0.648 | S | S | * | * | trans | -54.9 | 121.5 | 158.2 | -75.1 | -35.8 | 0 | 0 | 0 | 106.3 | K79 | D77-K79 HydrophobicContact CB-CG 4.41Å; D77-K79 PolarHBondContact O-N 3.16Å | ||
| 78 | K | 56.2 | Low | 55.1 | Low | 180 Ų | 180 | 127.7 Ų | 127.7 | 78% | 0.783 | 67% | 0.666 | S | S | * | * | trans | -58 | 80 | 161.5 | -69.7 | 176.3 | -178.8 | 177.3 | 0 | 105.8 | L76 T80 | L76-K78 PolarHBondContact O-N 3.43Å; K78-T80 PolarHBondContact O-N 3.25Å | ||
| 79 | K | 56.8 | Low | 55 | Low | 171 Ų | 171 | 129.1 Ų | 129.1 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | trans | -64 | 89.7 | 165.9 | -75 | -179.3 | 172.3 | 179.3 | 0 | 103.3 | D77 F81 | D77-K79 HydrophobicContact CB-CG 4.41Å; D77-K79 PolarHBondContact O-N 3.16Å; K79-F81 PolarHBondContact O-N 3.14Å | ||
| 80 | T | 54 | Low | 55 | Low | 103 Ų | 103 | 129.3 Ų | 129.3 | 63% | 0.632 | 67% | 0.672 | S | S | * | * | trans | -44.4 | 117.2 | 163.1 | 37.9 | 0 | 0 | 0 | 0 | 105.4 | K78 D82 | K78-T80 PolarHBondContact O-N 3.25Å; T80-D82 PolarHBondContact O-N 3.48Å | ||
| 81 | F | 54.2 | Low | 54.6 | Low | 171 Ų | 171 | 128.6 Ų | 128.6 | 75% | 0.75 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -67.7 | 21.1 | 179.4 | -74.9 | -88.6 | 0 | 0 | 0 | 111.9 | K79 R83 L84 | K79-F81 PolarHBondContact O-N 3.14Å; F81-R83 VanDerWaalsContact C-N 3.27Å; F81-R83 PolarHBondContact O-N 3.39Å; F81-L84 HydrophobicContact CD1-CD1 3.93Å |
| 82 | D | 57.4 | Low | 54.4 | Low | 135 Ų | 135 | 130.9 Ų | 130.9 | 72% | 0.722 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 3.5 | -168 | -64.6 | -22.8 | 0 | 0 | 0 | 113 | T80 | T80-D82 PolarHBondContact O-N 3.48Š|
| 83 | R | 50.6 | Low | 54.3 | Low | 197 Ų | 197 | 124.4 Ų | 124.4 | 74% | 0.743 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.6 | 30.2 | 178.5 | -65.8 | -169.2 | 176.2 | 141.4 | -0.2 | 114.5 | F81 A87 | F81-R83 VanDerWaalsContact C-N 3.27Å; F81-R83 PolarHBondContact O-N 3.39Å; R83-A87 PolarHBondContact O-N 3.02Å |
| 84 | L | 56.4 | Low | 54.3 | Low | 102 Ų | 102 | 128.3 Ų | 128.3 | 53% | 0.534 | 70% | 0.697 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73 | -16.2 | 167.5 | -82.4 | 171 | 0 | 0 | 0 | 112.9 | F81 D86 A87 | F81-L84 HydrophobicContact CD1-CD1 3.93Å; L84-D86 VanDerWaalsContact C-N 3.35Å; L84-A87 HydrophobicContact CD2-CB 4.32Å |
| 85 | D | 55.8 | Low | 54.4 | Low | 164 Ų | 164 | 132.8 Ų | 132.8 | 88% | 0.877 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -30.3 | 173.8 | -72.7 | -17.9 | 0 | 0 | 0 | 112.4 | ||
| 86 | D | 55.1 | Low | 54.3 | Low | 132 Ų | 132 | 135.2 Ų | 135.2 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -11.7 | 179.2 | -64.4 | -34.8 | 0 | 0 | 0 | 113.3 | L84 H88 | L84-D86 VanDerWaalsContact C-N 3.35Å; D86-H88 PolarHBondContact O-N 3.37Å |
| 87 | A | 54 | Low | 54.3 | Low | 44 Ų | 44 | 137.4 Ų | 137.4 | 36% | 0.364 | 70% | 0.698 | S | S | . | * | trans | -72.4 | 86.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | R83 L84 L89 | R83-A87 PolarHBondContact O-N 3.02Å; L84-A87 HydrophobicContact CD2-CB 4.32Å; A87-L89 WeakPolarHBondContact O-CG 3.47Å; A87-L89 PolarHBondContact O-N 3.04Å | ||
| 88 | H | 51.9 | Low | 54.3 | Low | 173 Ų | 173 | 138.1 Ų | 138.1 | 80% | 0.801 | 70% | 0.702 | S | S | * | * | trans | -54.2 | 88.3 | 164.9 | -169.8 | -110.3 | 0 | 0 | 0 | 107.9 | D86 S90 | D86-H88 PolarHBondContact O-N 3.37Å; H88-S90 PolarHBondContact O-N 3.41Å | ||
| 89 | L | 55.6 | Low | 54 | Low | 100 Ų | 100 | 134 Ų | 134 | 52% | 0.524 | 70% | 0.695 | S | S | . | * | trans | -68.6 | 74 | 178 | -67.8 | 171.7 | 0 | 0 | 0 | 108 | A87 G91 L92 | A87-L89 WeakPolarHBondContact O-CG 3.47Å; A87-L89 PolarHBondContact O-N 3.04Å; L89-G91 PolarHBondContact O-N 3.19Å; L89-L92 HydrophobicContact CB-CB 4.08Å; L89-L92 HydrophobicContact CB-CG 4.45Å; L89-L92 HydrophobicContact CD1-CD1 4.05Å; L89-L92 CarbonylContact O-C 3.42Å; L89-L92 PolarHBondContact O-N 2.98Å | ||
| 90 | S | 56.8 | Low | 53.9 | Low | 104 Ų | 104 | 132.6 Ų | 132.6 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -16.7 | -178.6 | -179.4 | 0 | 0 | 0 | 0 | 113.4 | H88 | H88-S90 PolarHBondContact O-N 3.41Š|
| 91 | G | 51.7 | Low | 53.9 | Low | 73 Ų | 73 | 136.2 Ų | 136.2 | 75% | 0.753 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -19.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L89 S93 | L89-G91 PolarHBondContact O-N 3.19Å; G91-S93 VanDerWaalsContact C-N 3.26Å; G91-S93 PolarHBondContact O-N 3.03Å |
| 92 | L | 50.9 | Low | 53.8 | Low | 131 Ų | 131 | 131.5 Ų | 131.5 | 69% | 0.686 | 70% | 0.702 | S | S | * | * | trans | -97.5 | 67.1 | 170 | -56.1 | -170.9 | 0 | 0 | 0 | 106.4 | L89 K94 | L89-L92 HydrophobicContact CB-CB 4.08Å; L89-L92 HydrophobicContact CB-CG 4.45Å; L89-L92 HydrophobicContact CD1-CD1 4.05Å; L89-L92 CarbonylContact O-C 3.42Å; L89-L92 PolarHBondContact O-N 2.98Å; L92-K94 PolarHBondContact O-N 3.41Å | ||
| 93 | S | 49.7 | Very low | 53.5 | Low | 94 Ų | 94 | 130 Ų | 130 | 66% | 0.657 | 70% | 0.698 | S | S | * | * | trans | -50.8 | 102.9 | 157 | 168.9 | 0 | 0 | 0 | 0 | 104.7 | G91 R95 | G91-S93 VanDerWaalsContact C-N 3.26Å; G91-S93 PolarHBondContact O-N 3.03Å; S93-R95 VanDerWaalsContact C-N 3.27Å; S93-R95 PolarHBondContact O-N 3.35Å | ||
| 94 | K | 55 | Low | 53.6 | Low | 166 Ų | 166 | 123.7 Ų | 123.7 | 72% | 0.722 | 69% | 0.694 | S | S | * | * | trans | -44.3 | 108.1 | 163.8 | -169 | 171.8 | -171.4 | 170.4 | 0 | 101.5 | L92 D96 | L92-K94 PolarHBondContact O-N 3.41Å; K94-D96 PolarHBondContact O-N 3.02Å | ||
| 95 | R | 56.8 | Low | 53.6 | Low | 223 Ų | 223 | 125 Ų | 125 | 84% | 0.842 | 70% | 0.701 | S | S | * | * | trans | -52.6 | 104.9 | 173.6 | -67.7 | -177.4 | -163.8 | 165.2 | 3.9 | 101.9 | S93 F97 | S93-R95 VanDerWaalsContact C-N 3.27Å; S93-R95 PolarHBondContact O-N 3.35Å; R95-F97 VanDerWaalsContact C-N 3.33Å; R95-F97 PolarHBondContact O-N 3.44Å | ||
| 96 | D | 54.7 | Low | 53.4 | Low | 122 Ų | 122 | 120 Ų | 120 | 65% | 0.652 | 69% | 0.688 | S | S | * | * | trans | -54.2 | 116.3 | 179.8 | -71.8 | -46.7 | 0 | 0 | 0 | 101.6 | K94 D98 | K94-D96 PolarHBondContact O-N 3.02Å; D96-D98 PolarHBondContact O-N 3.45Å | ||
| 97 | F | 52 | Low | 53.3 | Low | 178 Ų | 178 | 120.9 Ų | 120.9 | 78% | 0.781 | 69% | 0.693 | S | S | * | * | trans | -64.4 | 87.5 | 174.6 | -84.6 | -97.7 | 0 | 0 | 0 | 102.3 | R95 S99 | R95-F97 VanDerWaalsContact C-N 3.33Å; R95-F97 PolarHBondContact O-N 3.44Å; F97-S99 PolarHBondContact O-N 3.32Å | ||
| 98 | D | 55.8 | Low | 53.2 | Low | 138 Ų | 138 | 126.8 Ų | 126.8 | 74% | 0.738 | 71% | 0.711 | S | S | * | * | trans | -45.1 | 118.3 | 175.6 | -83.7 | -32.7 | 0 | 0 | 0 | 104.1 | D96 M100 | D96-D98 PolarHBondContact O-N 3.45Å; D98-M100 PolarHBondContact O-N 3.44Å | ||
| 99 | S | 49.2 | Very low | 53.2 | Low | 92 Ų | 92 | 126 Ų | 126 | 64% | 0.643 | 71% | 0.707 | S | S | * | * | trans | -42.2 | 109.2 | -170.2 | 48.1 | 0 | 0 | 0 | 0 | 109 | F97 E101 | F97-S99 PolarHBondContact O-N 3.32Å; S99-E101 PolarHBondContact O-N 3.2Å | ||
| 100 | M | 54.6 | Low | 53.2 | Low | 142 Ų | 142 | 130.6 Ų | 130.6 | 70% | 0.7 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 35.2 | 166.7 | -68.6 | -174.5 | -69.8 | 0 | 0 | 110.1 | D98 G102 | D98-M100 PolarHBondContact O-N 3.44Å; M100-G102 PolarHBondContact O-N 3.36Å |
| 101 | E | 53.1 | Low | 53.1 | Low | 179 Ų | 179 | 136.1 Ų | 136.1 | 84% | 0.836 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -11.4 | 176.9 | -169.3 | 170 | -172.9 | 0 | 0 | 111.5 | S99 | S99-E101 PolarHBondContact O-N 3.2Š|
| 102 | G | 52.7 | Low | 53.3 | Low | 72 Ų | 72 | 137.9 Ų | 137.9 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -114.9 | -15.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | M100 G104 | M100-G102 PolarHBondContact O-N 3.36Å; G102-G104 PolarHBondContact O-N 3.18Å |
| 103 | V | 52.3 | Low | 53.4 | Low | 105 Ų | 105 | 141.2 Ų | 141.2 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | trans | -86.5 | 73 | -179.9 | -165.2 | 0 | 0 | 0 | 0 | 107.8 | L105 | V103-L105 PolarHBondContact O-N 3.43Š| ||
| 104 | G | 51.5 | Low | 53.6 | Low | 64 Ų | 64 | 143.5 Ų | 143.5 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | trans | -48.3 | 116.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | G102 G106 | G102-G104 PolarHBondContact O-N 3.18Å; G104-G106 PolarHBondContact O-N 2.97Å | ||
| 105 | L | 55.6 | Low | 53.2 | Low | 128 Ų | 128 | 140.2 Ų | 140.2 | 67% | 0.67 | 74% | 0.738 | S | S | * | * | trans | -63.5 | 81.1 | 167.3 | -67.5 | 169.8 | 0 | 0 | 0 | 106.4 | V103 N107 F108 | V103-L105 PolarHBondContact O-N 3.43Å; L105-N107 PolarHBondContact O-N 2.98Å; L105-F108 HydrophobicContact CB-CB 3.91Å; L105-F108 HydrophobicContact CD1-CB 4.45Å; L105-F108 HydrophobicContact CD1-CD2 4.26Å; L105-F108 HydrophobicContact CD1-CG 4.49Å; L105-F108 PolarHBondContact O-N 3.4Å | ||
| 106 | G | 52.5 | Low | 53 | Low | 59 Ų | 59 | 137.2 Ų | 137.2 | 61% | 0.608 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -4.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G104 | G104-G106 PolarHBondContact O-N 2.97Š|
| 107 | N | 53.8 | Low | 52.9 | Low | 151 Ų | 151 | 140 Ų | 140 | 81% | 0.807 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.9 | -4.4 | 180 | -57.5 | 87.7 | 0 | 0 | 0 | 113.4 | L105 H109 | L105-N107 PolarHBondContact O-N 2.98Å; N107-H109 PolarHBondContact O-N 3.39Å |
| 108 | F | 50.2 | Low | 52.6 | Low | 168 Ų | 168 | 143.6 Ų | 143.6 | 74% | 0.737 | 76% | 0.755 | S | S | * | * | trans | -80.5 | 67.7 | 169.7 | -112.4 | -91.1 | 0 | 0 | 0 | 109.6 | L105 K110 | L105-F108 HydrophobicContact CB-CB 3.91Å; L105-F108 HydrophobicContact CD1-CB 4.45Å; L105-F108 HydrophobicContact CD1-CD2 4.26Å; L105-F108 HydrophobicContact CD1-CG 4.49Å; L105-F108 PolarHBondContact O-N 3.4Å; F108-K110 PolarHBondContact O-N 3.06Å | ||
| 109 | H | 53.1 | Low | 52.2 | Low | 157 Ų | 157 | 139.7 Ų | 139.7 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -61.6 | 106.8 | 159.5 | -71.8 | 78.3 | 0 | 0 | 0 | 106.1 | N107 R111 | N107-H109 PolarHBondContact O-N 3.39Å; H109-R111 VanDerWaalsContact C-N 3.34Å; H109-R111 PolarHBondContact O-N 3.25Å | ||
| 110 | K | 55.1 | Low | 52.1 | Low | 196 Ų | 196 | 141.2 Ų | 141.2 | 85% | 0.852 | 75% | 0.748 | S | S | * | * | trans | -52.2 | 103.1 | 169.2 | -76.7 | -178.8 | 176.9 | 178.3 | 0 | 106.5 | F108 P112 | F108-K110 PolarHBondContact O-N 3.06Å; K110-P112 WeakPolarHBondContact O-CD 3.45Å; K110-P112 VanDerWaalsContact O-N 3.15Å | ||
| 111 | R | 54.9 | Low | 51.8 | Low | 221 Ų | 221 | 140.3 Ų | 140.3 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | trans | -58.6 | 122 | 169.5 | -68.5 | -176.3 | 177.7 | -136.2 | 0.1 | 105.4 | H109 F113 | H109-R111 VanDerWaalsContact C-N 3.34Å; H109-R111 PolarHBondContact O-N 3.25Å; R111-F113 PolarHBondContact O-N 3.46Å; R111-F113 VanDerWaalsContact O-N 3.09Å | ||
| 112 | P | 56.1 | Low | 51.4 | Low | 109 Ų | 109 | 135.6 Ų | 135.6 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | trans | -55.4 | 125.1 | 172 | 23.9 | -30.5 | 0 | 0 | 0 | 105.8 | K110 D114 | K110-P112 WeakPolarHBondContact O-CD 3.45Å; K110-P112 VanDerWaalsContact O-N 3.15Å; P112-D114 PolarHBondContact O-N 3.48Å | ||
| 113 | F | 53.5 | Low | 51.5 | Low | 202 Ų | 202 | 135 Ų | 135 | 89% | 0.886 | 74% | 0.737 | S | S | * | * | trans | -64.4 | 96.2 | 173.2 | -70.7 | -88.6 | 0 | 0 | 0 | 105.6 | R111 S115 | R111-F113 PolarHBondContact O-N 3.46Å; R111-F113 VanDerWaalsContact O-N 3.09Å; F113-S115 PolarHBondContact O-N 3.03Å; F113-S115 VanDerWaalsContact O-N 3.1Å | ||
| 114 | D | 53.8 | Low | 51.3 | Low | 141 Ų | 141 | 138.4 Ų | 138.4 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | trans | -51.9 | 123 | 173.3 | -82.8 | -26.4 | 0 | 0 | 0 | 107.3 | P112 L116 | P112-D114 PolarHBondContact O-N 3.48Å; D114-L116 PolarHBondContact O-N 3.28Å | ||
| 115 | S | 46.5 | Very low | 51.1 | Low | 98 Ų | 98 | 144.1 Ų | 144.1 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | trans | -47.7 | 101.3 | -165.9 | -45.8 | 0 | 0 | 0 | 0 | 111.5 | F113 E117 | F113-S115 PolarHBondContact O-N 3.03Å; F113-S115 VanDerWaalsContact O-N 3.1Å; S115-E117 PolarHBondContact O-N 3.37Å | ||
| 116 | L | 52.8 | Low | 50.9 | Low | 160 Ų | 160 | 147 Ų | 147 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -69.7 | 15.9 | 166.2 | -73.2 | 172.4 | 0 | 0 | 0 | 112.3 | D114 R118 | D114-L116 PolarHBondContact O-N 3.28Å; L116-R118 PolarHBondContact O-N 3.35Å; L116-R118 VanDerWaalsContact O-N 3.14Å |
| 117 | E | 51.2 | Low | 50.8 | Low | 181 Ų | 181 | 151.1 Ų | 151.1 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -62.5 | -19.5 | -178 | -172 | 171.1 | -178.4 | 0 | 0 | 112.7 | S115 | S115-E117 PolarHBondContact O-N 3.37Š|
| 118 | R | 46.5 | Very low | 50.7 | Low | 252 Ų | 252 | 150 Ų | 150 | 95% | 0.951 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -96.9 | -0.2 | -171.5 | -123.8 | 172.3 | -151.9 | -94.7 | -1.6 | 117.2 | L116 | L116-R118 PolarHBondContact O-N 3.35Å; L116-R118 VanDerWaalsContact O-N 3.14Å |
| 119 | G | 47.3 | Very low | 50.6 | Low | 57 Ų | 57 | 149.9 Ų | 149.9 | 59% | 0.588 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.5 | -41.7 | -163.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 120 | L | 47.7 | Very low | 50.2 | Low | 124 Ų | 124 | 152.5 Ų | 152.5 | 65% | 0.649 | 75% | 0.746 | S | S | * | * | trans | -141.3 | 117.6 | -157.7 | -67.7 | 173.1 | 0 | 0 | 0 | 113.5 | G122 | L120-G122 PolarHBondContact O-N 3.43Å; L120-G122 VanDerWaalsContact O-N 3.08Å | ||
| 121 | P | 47.4 | Very low | 49.7 | Very low | 122 Ų | 122 | 151.5 Ų | 151.5 | 79% | 0.792 | 74% | 0.744 | S | S | * | * | trans | -67.6 | 107 | 171.1 | 8.1 | 0.7 | 0 | 0 | 0 | 110.2 | S123 | P121-S123 VanDerWaalsContact C-N 3.34Å; P121-S123 PolarHBondContact O-N 3.38Å | ||
| 122 | G | 45.3 | Very low | 49.2 | Very low | 80 Ų | 80 | 148.7 Ų | 148.7 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 63.5 | -8.5 | 135.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | L120 | L120-G122 PolarHBondContact O-N 3.43Å; L120-G122 VanDerWaalsContact O-N 3.08Å |
| 123 | S | 53.8 | Low | 48.6 | Very low | 61 Ų | 61 | 149.4 Ų | 149.4 | 43% | 0.427 | 74% | 0.742 | S | S | . | * | trans | -109.5 | -24.3 | -170.8 | -155 | 0 | 0 | 0 | 0 | 116.5 | P121 K125 R126 | P121-S123 VanDerWaalsContact C-N 3.34Å; P121-S123 PolarHBondContact O-N 3.38Å; S123-K125 PolarHBondContact O-N 3.34Å; S123-R126 PolarHBondContact OG-NH2 3.08Å | ||
| 124 | W | 48.5 | Very low | 48.3 | Very low | 175 Ų | 175 | 144.6 Ų | 144.6 | 66% | 0.663 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -77.5 | -13.2 | -169 | -63 | 93.1 | 0 | 0 | 0 | 115.4 | R126 F127 | W124-R126 PolarHBondContact O-N 3.17Å; W124-R126 VanDerWaalsContact O-N 3.09Å; W124-F127 PolarHBondContact O-N 3.24Å; W124-F127 VanDerWaalsContact O-N 3.16Å |
| 125 | K | 47.7 | Very low | 47.8 | Very low | 185 Ų | 185 | 152 Ų | 152 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -64.5 | -14.3 | 177.8 | -122.4 | 175.7 | -174.1 | -179 | 0 | 113.8 | S123 I128 | S123-K125 PolarHBondContact O-N 3.34Å; K125-I128 HydrophobicContact CG-CD1 4.38Å |
| 126 | R | 50.9 | Low | 47.9 | Very low | 189 Ų | 189 | 154.7 Ų | 154.7 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -78.1 | -14.3 | 176.1 | -76.3 | -178.2 | -78.8 | -124.6 | -0.7 | 114.3 | S123 W124 | S123-R126 PolarHBondContact OG-NH2 3.08Å; W124-R126 PolarHBondContact O-N 3.17Å; W124-R126 VanDerWaalsContact O-N 3.09Å |
| 127 | F | 49.9 | Very low | 47.6 | Very low | 145 Ų | 145 | 154.4 Ų | 154.4 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -90.9 | 0.1 | -174.9 | -93.4 | -84 | 0 | 0 | 0 | 115.6 | W124 H129 | W124-F127 PolarHBondContact O-N 3.24Å; W124-F127 VanDerWaalsContact O-N 3.16Å; F127-H129 PolarHBondContact O-N 3.28Å; F127-H129 VanDerWaalsContact O-N 3.11Å |
| 128 | I | 51.9 | Low | 47.4 | Very low | 126 Ų | 126 | 152.9 Ų | 152.9 | 65% | 0.646 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -68.9 | -7.7 | -175.6 | -63.2 | 177.1 | 0 | 0 | 0 | 113.6 | K125 | K125-I128 HydrophobicContact CG-CD1 4.38Š|
| 129 | H | 48.8 | Very low | 47.4 | Very low | 167 Ų | 167 | 147.1 Ų | 147.1 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -106.1 | 34.6 | -175.2 | -59.4 | 93.4 | 0 | 0 | 0 | 115 | F127 H131 | F127-H129 PolarHBondContact O-N 3.28Å; F127-H129 VanDerWaalsContact O-N 3.11Å; H129-H131 PolarHBondContact O-N 3.4Å |
| 130 | R | 44.6 | Very low | 47.5 | Very low | 211 Ų | 211 | 152.7 Ų | 152.7 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | trans | -85.3 | 88.6 | 163.9 | -158.1 | -174.4 | -68.8 | -123.3 | 4 | 109 | H132 | R130-H132 PolarHBondContact O-N 3.37Å; R130-H132 VanDerWaalsContact O-N 3.13Å | ||
| 131 | H | 44.5 | Very low | 47.4 | Very low | 175 Ų | 175 | 154.6 Ų | 154.6 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | trans | -61.3 | 107.9 | 175.4 | -136.1 | -104 | 0 | 0 | 0 | 109.2 | H129 V133 | H129-H131 PolarHBondContact O-N 3.4Å; H131-V133 PolarHBondContact O-N 3.15Å | ||
| 132 | H | 44.8 | Very low | 47.4 | Very low | 162 Ų | 162 | 156.9 Ų | 156.9 | 75% | 0.75 | 74% | 0.741 | S | S | * | * | trans | -81.4 | 106.5 | 173.4 | -169 | -105.3 | 0 | 0 | 0 | 108.2 | R130 V134 | R130-H132 PolarHBondContact O-N 3.37Å; R130-H132 VanDerWaalsContact O-N 3.13Å; H132-V134 WeakPolarHBondContact CE1-CG2 3.45Å; H132-V134 WeakPolarHBondContact ND1-CG2 3.42Å | ||
| 133 | V | 43.8 | Very low | 47.6 | Very low | 124 Ų | 124 | 162.8 Ų | 162.8 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | trans | -71.2 | 122.3 | 171.8 | 177.8 | 0 | 0 | 0 | 0 | 107.8 | H131 | H131-V133 PolarHBondContact O-N 3.15Š| ||
| 134 | V | 47.5 | Very low | 47.1 | Very low | 102 Ų | 102 | 171.3 Ų | 171.3 | 62% | 0.618 | 76% | 0.76 | S | S | * | * | trans | -130.3 | 121.2 | 168.7 | -171.9 | 0 | 0 | 0 | 0 | 107.9 | H132 | H132-V134 WeakPolarHBondContact CE1-CG2 3.45Å; H132-V134 WeakPolarHBondContact ND1-CG2 3.42Å | ||
| 135 | Y | 42.3 | Very low | 47 | Very low | 295 Ų | 295 | 171 Ų | 171 | 100% | 1.157 | 77% | 0.769 | S | S | * | * | trans | -17.9 | 0 | 179.8 | -57.5 | -85 | 0 | 0 | 0 | 119.2 |
Retrieved 135 of 135 residues in 149.7 ms
(Link to these results)