| 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 | 58.9 | Low | 84.4 | Confident | 223 Ų | 223 | 127.9 Ų | 127.9 | 100% | 1.099 | 62% | 0.62 | S | S | * | * | 0 | -15.8 | 0 | -69.3 | -163 | 179 | 0 | 0 | 113.8 | |||||
| 2 | E | 75 | Confident | 85.1 | Confident | 153 Ų | 153 | 130.2 Ų | 130.2 | 72% | 0.715 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -77.1 | -27.7 | 177.6 | -80.7 | 172.1 | 106.7 | 0 | 0 | 115.2 | G5 R6 | E2-G5 PolarHBondContact O-N 3.3Å; E2-R6 PolarHBondContact O-N 3.39Å |
| 3 | V | 80.1 | Confident | 85.8 | Confident | 115 Ų | 115 | 128.2 Ų | 128.2 | 70% | 0.697 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.7 | -43.5 | -177.4 | -176.4 | 0 | 0 | 0 | 0 | 111.6 | G5 R6 E7 | V3-G5 VanDerWaalsContact C-N 3.26Å; V3-G5 PolarHBondContact O-N 3.29Å; V3-R6 PolarHBondContact O-N 3Å; V3-E7 PolarHBondContact O-N 3.2Å |
| 4 | D | 82.8 | Confident | 86.5 | Confident | 98 Ų | 98 | 123 Ų | 123 | 52% | 0.524 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60.3 | -34.9 | 177.5 | -69.2 | -57.2 | 0 | 0 | 0 | 112.9 | K8 | D4-K8 WeakPolarHBondContact O-CG 3.32Å; D4-K8 PolarHBondContact O-N 3.45Å; D4-K8 VanDerWaalsContact O-N 3.15Å |
| 5 | G | 86.3 | Confident | 87.1 | Confident | 43 Ų | 43 | 120.6 Ų | 120.6 | 44% | 0.443 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.5 | -44 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E2 V3 K8 A9 | E2-G5 PolarHBondContact O-N 3.3Å; V3-G5 VanDerWaalsContact C-N 3.26Å; V3-G5 PolarHBondContact O-N 3.29Å; G5-K8 PolarHBondContact O-N 3.49Å; G5-A9 PolarHBondContact O-N 2.9Å; G5-A9 VanDerWaalsContact O-N 3.08Å |
| 6 | R | 88.4 | Confident | 87.6 | Confident | 164 Ų | 164 | 115.4 Ų | 115.4 | 62% | 0.619 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.9 | -43 | 176.6 | -68.5 | -175.3 | -174.8 | 177.6 | 3.8 | 111.3 | E2 V3 K8 A9 Y10 | E2-R6 PolarHBondContact O-N 3.39Å; V3-R6 PolarHBondContact O-N 3Å; R6-K8 PolarHBondContact O-N 3.15Å; R6-A9 PolarHBondContact O-N 3.32Å; R6-Y10 HydrophobicContact CB-CD2 4.44Å; R6-Y10 HydrophobicContact CB-CE2 4.39Å; R6-Y10 WeakPolarHBondContact O-CD2 3.34Å; R6-Y10 PolarHBondContact O-N 2.63Å |
| 7 | E | 90.3 | Very high | 88.1 | Confident | 85 Ų | 85 | 111.6 Ų | 111.6 | 40% | 0.397 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.3 | -44.1 | 179 | -171.6 | 179.4 | 176.5 | 0 | 0 | 112 | V3 A9 Y10 R11 | V3-E7 PolarHBondContact O-N 3.2Å; E7-A9 VanDerWaalsContact C-N 3.33Å; E7-A9 PolarHBondContact O-N 2.89Å; E7-Y10 PolarHBondContact O-N 3.16Å; E7-R11 WeakPolarHBondContact O-CB 3.49Å; E7-R11 WeakPolarHBondContact O-CG 3.31Å; E7-R11 PolarHBondContact O-N 3.45Å; E7-R11 IonicContact OE1-CZ 2.63Å; E7-R11 IonicContact OE1-NE 3.98Å; E7-R11 PolarHBondContact OE1-NE 3.2Å; E7-R11 VanDerWaalsContact OE1-NE 3.16Å; E7-R11 IonicContact OE1-NH2 3.16Å; E7-R11 PolarHBondContact OE1-NH2 3.08Å |
| 8 | K | 89.1 | Confident | 88.6 | Confident | 152 Ų | 152 | 110.6 Ų | 110.6 | 66% | 0.661 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.5 | -41.2 | 174.9 | -72 | 174.5 | -174.8 | 177.7 | 0 | 112.1 | D4 G5 R6 R11 F12 | D4-K8 WeakPolarHBondContact O-CG 3.32Å; D4-K8 PolarHBondContact O-N 3.45Å; D4-K8 VanDerWaalsContact O-N 3.15Å; G5-K8 PolarHBondContact O-N 3.49Å; R6-K8 PolarHBondContact O-N 3.15Å; K8-R11 PolarHBondContact O-N 3.46Å; K8-F12 WeakPolarHBondContact O-CB 3.12Å; K8-F12 PolarHBondContact O-N 2.87Å |
| 9 | A | 91.7 | Very high | 89.1 | Confident | 50 Ų | 50 | 107.2 Ų | 107.2 | 41% | 0.413 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.4 | -44.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G5 R6 E7 F12 I13 | G5-A9 PolarHBondContact O-N 2.9Å; G5-A9 VanDerWaalsContact O-N 3.08Å; R6-A9 PolarHBondContact O-N 3.32Å; E7-A9 VanDerWaalsContact C-N 3.33Å; E7-A9 PolarHBondContact O-N 2.89Å; A9-F12 PolarHBondContact O-N 3.35Å; A9-I13 VanDerWaalsContact O-CG1 3.31Å; A9-I13 WeakPolarHBondContact O-CG1 3.41Å; A9-I13 PolarHBondContact O-N 2.85Å |
| 10 | Y | 92.5 | Very high | 89.4 | Confident | 167 Ų | 167 | 109 Ų | 109 | 66% | 0.655 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.4 | -42.6 | 175.9 | -80.3 | -66.1 | 0 | 0 | 0 | 112.4 | R6 E7 F12 I13 A14 | R6-Y10 HydrophobicContact CB-CD2 4.44Å; R6-Y10 HydrophobicContact CB-CE2 4.39Å; R6-Y10 WeakPolarHBondContact O-CD2 3.34Å; R6-Y10 PolarHBondContact O-N 2.63Å; E7-Y10 PolarHBondContact O-N 3.16Å; Y10-F12 VanDerWaalsContact C-N 3.32Å; Y10-F12 PolarHBondContact O-N 2.96Å; Y10-I13 PolarHBondContact O-N 2.92Å; Y10-A14 WeakPolarHBondContact O-CB 3.33Å; Y10-A14 PolarHBondContact O-N 3.26Å |
| 11 | R | 93 | Very high | 89.8 | Confident | 157 Ų | 157 | 107 Ų | 107 | 59% | 0.592 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.8 | -41.9 | 174.5 | -71.7 | 176.8 | -177.7 | -156.4 | 1.9 | 111.2 | E7 K8 A14 C15 | E7-R11 WeakPolarHBondContact O-CB 3.49Å; E7-R11 WeakPolarHBondContact O-CG 3.31Å; E7-R11 PolarHBondContact O-N 3.45Å; E7-R11 IonicContact OE1-CZ 2.63Å; E7-R11 IonicContact OE1-NE 3.98Å; E7-R11 PolarHBondContact OE1-NE 3.2Å; E7-R11 VanDerWaalsContact OE1-NE 3.16Å; E7-R11 IonicContact OE1-NH2 3.16Å; E7-R11 PolarHBondContact OE1-NH2 3.08Å; K8-R11 PolarHBondContact O-N 3.46Å; R11-A14 PolarHBondContact O-N 3.43Å; R11-C15 VanDerWaalsContact O-CB 3.28Å; R11-C15 WeakPolarHBondContact O-CB 3.31Å; R11-C15 PolarHBondContact O-N 3.4Å; R11-C15 PolarHBondContact O-SG 3.5Å |
| 12 | F | 92.7 | Very high | 91.7 | Very high | 155 Ų | 155 | 100.2 Ų | 100.2 | 68% | 0.68 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.6 | -44.4 | 177.4 | -174.9 | -98.3 | 0 | 0 | 0 | 112.4 | K8 A9 Y10 C15 S16 | K8-F12 WeakPolarHBondContact O-CB 3.12Å; K8-F12 PolarHBondContact O-N 2.87Å; A9-F12 PolarHBondContact O-N 3.35Å; Y10-F12 VanDerWaalsContact C-N 3.32Å; Y10-F12 PolarHBondContact O-N 2.96Å; F12-C15 PolarHBondContact O-N 3.48Å; F12-S16 WeakPolarHBondContact O-CB 3.34Å; F12-S16 PolarHBondContact O-N 3.2Å; F12-S16 PolarHBondContact O-OG 3.22Å |
| 13 | I | 95 | Very high | 92.7 | Very high | 105 Ų | 105 | 97.9 Ų | 97.9 | 54% | 0.538 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 177.1 | -65.6 | 165.2 | 0 | 0 | 0 | 111 | A9 Y10 S16 A17 | A9-I13 VanDerWaalsContact O-CG1 3.31Å; A9-I13 WeakPolarHBondContact O-CG1 3.41Å; A9-I13 PolarHBondContact O-N 2.85Å; Y10-I13 PolarHBondContact O-N 2.92Å; I13-S16 PolarHBondContact O-N 2.97Å; I13-S16 PolarHBondContact O-OG 2.96Å; I13-A17 WeakPolarHBondContact O-CB 3.32Å; I13-A17 PolarHBondContact O-N 2.93Å |
| 14 | A | 95.6 | Very high | 93.5 | Very high | 55 Ų | 55 | 95 Ų | 95 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.4 | -44.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y10 R11 S16 A17 V18 | Y10-A14 WeakPolarHBondContact O-CB 3.33Å; Y10-A14 PolarHBondContact O-N 3.26Å; R11-A14 PolarHBondContact O-N 3.43Å; A14-S16 PolarHBondContact O-N 3.44Å; A14-A17 PolarHBondContact O-N 3.41Å; A14-V18 VanDerWaalsContact O-CG2 3.31Å; A14-V18 WeakPolarHBondContact O-CG2 3.28Å; A14-V18 PolarHBondContact O-N 3Å |
| 15 | C | 94.6 | Very high | 94.2 | Very high | 87 Ų | 87 | 95.3 Ų | 95.3 | 59% | 0.588 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63 | -40.9 | 177.1 | -73.9 | 0 | 0 | 0 | 0 | 112.1 | R11 F12 A19 | R11-C15 VanDerWaalsContact O-CB 3.28Å; R11-C15 WeakPolarHBondContact O-CB 3.31Å; R11-C15 PolarHBondContact O-N 3.4Å; R11-C15 PolarHBondContact O-SG 3.5Å; F12-C15 PolarHBondContact O-N 3.48Å; C15-A19 WeakPolarHBondContact O-CB 3.43Å; C15-A19 PolarHBondContact O-N 2.91Å |
| 16 | S | 95.9 | Very high | 94.7 | Very high | 38 Ų | 38 | 96.8 Ų | 96.8 | 27% | 0.266 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.7 | -43.4 | 177.4 | 65.7 | 0 | 0 | 0 | 0 | 111.4 | F12 I13 A14 V18 A19 F20 | F12-S16 WeakPolarHBondContact O-CB 3.34Å; F12-S16 PolarHBondContact O-N 3.2Å; F12-S16 PolarHBondContact O-OG 3.22Å; I13-S16 PolarHBondContact O-N 2.97Å; I13-S16 PolarHBondContact O-OG 2.96Å; A14-S16 PolarHBondContact O-N 3.44Å; S16-V18 PolarHBondContact O-N 3.42Å; S16-A19 PolarHBondContact O-N 2.9Å; S16-F20 WeakPolarHBondContact O-CD2 3Å; S16-F20 PolarHBondContact O-N 3.3Å |
| 17 | A | 96.7 | Very high | 95.1 | Very high | 50 Ų | 50 | 92.1 Ų | 92.1 | 41% | 0.413 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.5 | -46.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I13 A14 F20 S21 | I13-A17 WeakPolarHBondContact O-CB 3.32Å; I13-A17 PolarHBondContact O-N 2.93Å; A14-A17 PolarHBondContact O-N 3.41Å; A17-F20 PolarHBondContact O-N 3.24Å; A17-S21 PolarHBondContact O-N 3.19Å; A17-S21 PolarHBondContact O-OG 3.39Å; A17-S21 VanDerWaalsContact O-OG 3.11Å |
| 18 | V | 97 | Very high | 95.4 | Very high | 93 Ų | 93 | 91.7 Ų | 91.7 | 56% | 0.564 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.3 | -43 | 176.5 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | A14 S16 F20 S21 V22 | A14-V18 VanDerWaalsContact O-CG2 3.31Å; A14-V18 WeakPolarHBondContact O-CG2 3.28Å; A14-V18 PolarHBondContact O-N 3Å; S16-V18 PolarHBondContact O-N 3.42Å; V18-F20 PolarHBondContact O-N 3.11Å; V18-S21 PolarHBondContact O-N 3.36Å; V18-V22 HydrophobicContact CG1-CG2 4.37Å; V18-V22 WeakPolarHBondContact O-CG2 3.24Å; V18-V22 PolarHBondContact O-N 2.92Å |
| 19 | A | 96.7 | Very high | 95.7 | Very high | 46 Ų | 46 | 88.2 Ų | 88.2 | 38% | 0.38 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | C15 S16 S21 V22 I23 | C15-A19 WeakPolarHBondContact O-CB 3.43Å; C15-A19 PolarHBondContact O-N 2.91Å; S16-A19 PolarHBondContact O-N 2.9Å; A19-S21 PolarHBondContact O-N 3.02Å; A19-V22 PolarHBondContact O-N 3.36Å; A19-I23 VanDerWaalsContact O-CG1 3.24Å; A19-I23 WeakPolarHBondContact O-CG1 3.25Å; A19-I23 PolarHBondContact O-N 2.93Å |
| 20 | F | 96.8 | Very high | 96 | Very high | 144 Ų | 144 | 90.8 Ų | 90.8 | 63% | 0.632 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.2 | -40 | 175.8 | -74.5 | -63 | 0 | 0 | 0 | 112.4 | S16 A17 V18 I23 A24 | S16-F20 WeakPolarHBondContact O-CD2 3Å; S16-F20 PolarHBondContact O-N 3.3Å; A17-F20 PolarHBondContact O-N 3.24Å; V18-F20 PolarHBondContact O-N 3.11Å; F20-I23 PolarHBondContact O-N 3.02Å; F20-A24 WeakPolarHBondContact O-CB 3.46Å; F20-A24 PolarHBondContact O-N 3.46Å |
| 21 | S | 97.5 | Very high | 96.1 | Very high | 67 Ų | 67 | 86.4 Ų | 86.4 | 47% | 0.469 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 174.9 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | A17 V18 A19 A24 I25 | A17-S21 PolarHBondContact O-N 3.19Å; A17-S21 PolarHBondContact O-OG 3.39Å; A17-S21 VanDerWaalsContact O-OG 3.11Å; V18-S21 PolarHBondContact O-N 3.36Å; A19-S21 PolarHBondContact O-N 3.02Å; S21-A24 PolarHBondContact O-N 2.91Å; S21-I25 WeakPolarHBondContact O-CB 3.44Å; S21-I25 WeakPolarHBondContact O-CD1 3.4Å; S21-I25 WeakPolarHBondContact O-CG1 3.2Å; S21-I25 PolarHBondContact O-N 3.47Å |
| 22 | V | 97.2 | Very high | 96.3 | Very high | 80 Ų | 80 | 83.9 Ų | 83.9 | 49% | 0.485 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | V18 A19 A24 I25 T26 | V18-V22 HydrophobicContact CG1-CG2 4.37Å; V18-V22 WeakPolarHBondContact O-CG2 3.24Å; V18-V22 PolarHBondContact O-N 2.92Å; A19-V22 PolarHBondContact O-N 3.36Å; V22-A24 PolarHBondContact O-N 2.89Å; V22-I25 PolarHBondContact O-N 2.86Å; V22-T26 HydrophobicContact CG1-CG2 4.24Å; V22-T26 WeakPolarHBondContact O-CB 3.34Å; V22-T26 VanDerWaalsContact O-CG2 3.25Å; V22-T26 WeakPolarHBondContact O-CG2 3.35Å; V22-T26 PolarHBondContact O-N 3.36Å; V22-T26 PolarHBondContact O-OG1 3.48Å |
| 23 | I | 97 | Very high | 96.5 | Very high | 104 Ų | 104 | 79.5 Ų | 79.5 | 53% | 0.533 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 177 | -67.1 | 164.4 | 0 | 0 | 0 | 110.9 | A19 F20 T26 S27 | A19-I23 VanDerWaalsContact O-CG1 3.24Å; A19-I23 WeakPolarHBondContact O-CG1 3.25Å; A19-I23 PolarHBondContact O-N 2.93Å; F20-I23 PolarHBondContact O-N 3.02Å; I23-T26 WeakPolarHBondContact CA-OG1 3.32Å; I23-T26 PolarHBondContact O-N 3.38Å; I23-T26 PolarHBondContact O-OG1 2.89Å; I23-S27 VanDerWaalsContact O-CB 3.32Å; I23-S27 WeakPolarHBondContact O-CB 3.36Å; I23-S27 PolarHBondContact O-N 3.4Å |
| 24 | A | 97.3 | Very high | 96.5 | Very high | 56 Ų | 56 | 80.7 Ų | 80.7 | 46% | 0.463 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F20 S21 V22 S27 V28 | F20-A24 WeakPolarHBondContact O-CB 3.46Å; F20-A24 PolarHBondContact O-N 3.46Å; S21-A24 PolarHBondContact O-N 2.91Å; V22-A24 PolarHBondContact O-N 2.89Å; A24-S27 PolarHBondContact O-N 3.4Å; A24-V28 WeakPolarHBondContact O-CG2 3.47Å; A24-V28 PolarHBondContact O-N 2.89Å |
| 25 | I | 97.3 | Very high | 96.6 | Very high | 104 Ų | 104 | 82.8 Ų | 82.8 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.7 | -48.2 | 177.2 | -67.4 | 164 | 0 | 0 | 0 | 110.2 | S21 V22 S27 V28 C29 | S21-I25 WeakPolarHBondContact O-CB 3.44Å; S21-I25 WeakPolarHBondContact O-CD1 3.4Å; S21-I25 WeakPolarHBondContact O-CG1 3.2Å; S21-I25 PolarHBondContact O-N 3.47Å; V22-I25 PolarHBondContact O-N 2.86Å; I25-S27 VanDerWaalsContact C-N 3.33Å; I25-S27 PolarHBondContact O-N 3.01Å; I25-V28 PolarHBondContact O-N 3Å; I25-C29 WeakPolarHBondContact O-CB 3.41Å; I25-C29 PolarHBondContact O-N 3.21Å; I25-C29 PolarHBondContact O-SG 2.78Å |
| 26 | T | 96.2 | Very high | 96.7 | Very high | 74 Ų | 74 | 85.3 Ų | 85.3 | 45% | 0.454 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.4 | -38.5 | 178.7 | 56.9 | 0 | 0 | 0 | 0 | 112.4 | V22 I23 C29 V30 | V22-T26 HydrophobicContact CG1-CG2 4.24Å; V22-T26 WeakPolarHBondContact O-CB 3.34Å; V22-T26 VanDerWaalsContact O-CG2 3.25Å; V22-T26 WeakPolarHBondContact O-CG2 3.35Å; V22-T26 PolarHBondContact O-N 3.36Å; V22-T26 PolarHBondContact O-OG1 3.48Å; I23-T26 WeakPolarHBondContact CA-OG1 3.32Å; I23-T26 PolarHBondContact O-N 3.38Å; I23-T26 PolarHBondContact O-OG1 2.89Å; T26-C29 PolarHBondContact O-N 2.97Å; T26-V30 VanDerWaalsContact O-CG2 3.3Å; T26-V30 WeakPolarHBondContact O-CG2 3.47Å; T26-V30 PolarHBondContact O-N 2.96Å |
| 27 | S | 96.7 | Very high | 96.7 | Very high | 66 Ų | 66 | 88.3 Ų | 88.3 | 46% | 0.462 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 174.1 | -178.6 | 0 | 0 | 0 | 0 | 112 | I23 A24 I25 V30 T31 | I23-S27 VanDerWaalsContact O-CB 3.32Å; I23-S27 WeakPolarHBondContact O-CB 3.36Å; I23-S27 PolarHBondContact O-N 3.4Å; A24-S27 PolarHBondContact O-N 3.4Å; I25-S27 VanDerWaalsContact C-N 3.33Å; I25-S27 PolarHBondContact O-N 3.01Å; S27-V30 PolarHBondContact O-N 3.31Å; S27-T31 WeakPolarHBondContact O-CB 3.35Å; S27-T31 VanDerWaalsContact O-CG2 3.32Å; S27-T31 WeakPolarHBondContact O-CG2 3.3Å; S27-T31 PolarHBondContact O-N 3.15Å; S27-T31 PolarHBondContact O-OG1 3.36Å |
| 28 | V | 97.4 | Very high | 96.6 | Very high | 75 Ų | 75 | 92.7 Ų | 92.7 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 175.5 | 173.5 | 0 | 0 | 0 | 0 | 111 | A24 I25 V30 T31 L32 | A24-V28 WeakPolarHBondContact O-CG2 3.47Å; A24-V28 PolarHBondContact O-N 2.89Å; I25-V28 PolarHBondContact O-N 3Å; V28-V30 PolarHBondContact O-N 3.23Å; V28-T31 WeakPolarHBondContact CA-OG1 3.44Å; V28-T31 PolarHBondContact O-N 3.25Å; V28-T31 PolarHBondContact O-OG1 3.34Å; V28-L32 HydrophobicContact CG1-CD1 3.51Å; V28-L32 HydrophobicContact CG1-CG 3.87Å; V28-L32 WeakPolarHBondContact O-CB 3.32Å; V28-L32 WeakPolarHBondContact O-CG 3.33Å; V28-L32 PolarHBondContact O-N 2.8Å |
| 29 | C | 95.9 | Very high | 96.6 | Very high | 80 Ų | 80 | 91.4 Ų | 91.4 | 54% | 0.541 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.2 | -25.4 | 178 | -70.3 | 0 | 0 | 0 | 0 | 113.5 | I25 T26 P33 | I25-C29 WeakPolarHBondContact O-CB 3.41Å; I25-C29 PolarHBondContact O-N 3.21Å; I25-C29 PolarHBondContact O-SG 2.78Å; T26-C29 PolarHBondContact O-N 2.97Å; C29-P33 WeakPolarHBondContact O-CD 3.3Å; C29-P33 WeakPolarHBondContact O-CG 3.09Å |
| 30 | V | 96.3 | Very high | 96.6 | Very high | 103 Ų | 103 | 95 Ų | 95 | 62% | 0.624 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -88.8 | -38.9 | 175.6 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | T26 S27 V28 P33 M34 | T26-V30 VanDerWaalsContact O-CG2 3.3Å; T26-V30 WeakPolarHBondContact O-CG2 3.47Å; T26-V30 PolarHBondContact O-N 2.96Å; S27-V30 PolarHBondContact O-N 3.31Å; V28-V30 PolarHBondContact O-N 3.23Å; V30-P33 WeakPolarHBondContact O-CD 3.41Å; V30-P33 WeakPolarHBondContact O-CG 3.45Å; V30-M34 WeakPolarHBondContact O-CB 3.38Å |
| 31 | T | 96.3 | Very high | 96.5 | Very high | 76 Ų | 76 | 94.9 Ų | 94.9 | 47% | 0.466 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -74.5 | -38.2 | -176.9 | 49.3 | 0 | 0 | 0 | 0 | 113.2 | S27 V28 M34 L35 | S27-T31 WeakPolarHBondContact O-CB 3.35Å; S27-T31 VanDerWaalsContact O-CG2 3.32Å; S27-T31 WeakPolarHBondContact O-CG2 3.3Å; S27-T31 PolarHBondContact O-N 3.15Å; S27-T31 PolarHBondContact O-OG1 3.36Å; V28-T31 WeakPolarHBondContact CA-OG1 3.44Å; V28-T31 PolarHBondContact O-N 3.25Å; V28-T31 PolarHBondContact O-OG1 3.34Å; T31-M34 PolarHBondContact O-N 2.96Å; T31-L35 VanDerWaalsContact O-CB 3.3Å; T31-L35 WeakPolarHBondContact O-CB 2.98Å; T31-L35 PolarHBondContact O-N 2.88Å |
| 32 | L | 96.8 | Very high | 96.3 | Very high | 103 Ų | 103 | 94.4 Ų | 94.4 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.7 | -50.8 | 178.8 | -71.5 | 179.4 | 0 | 0 | 0 | 114.5 | V28 M34 L35 Y36 | V28-L32 HydrophobicContact CG1-CD1 3.51Å; V28-L32 HydrophobicContact CG1-CG 3.87Å; V28-L32 WeakPolarHBondContact O-CB 3.32Å; V28-L32 WeakPolarHBondContact O-CG 3.33Å; V28-L32 PolarHBondContact O-N 2.8Å; L32-M34 VanDerWaalsContact C-N 3.33Å; L32-M34 PolarHBondContact O-N 3.45Å; L32-L35 PolarHBondContact O-N 3.37Å; L32-Y36 WeakPolarHBondContact O-CB 3.42Å; L32-Y36 PolarHBondContact O-N 3.38Å |
| 33 | P | 96.7 | Very high | 96.1 | Very high | 63 Ų | 63 | 95.3 Ų | 95.3 | 41% | 0.409 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.3 | -34.2 | 178 | 25.5 | -34 | 0 | 0 | 0 | 112.3 | C29 V30 Y36 N37 | C29-P33 WeakPolarHBondContact O-CD 3.3Å; C29-P33 WeakPolarHBondContact O-CG 3.09Å; V30-P33 WeakPolarHBondContact O-CD 3.41Å; V30-P33 WeakPolarHBondContact O-CG 3.45Å; P33-Y36 PolarHBondContact O-N 3.42Å; P33-N37 WeakPolarHBondContact O-CB 3.47Å; P33-N37 VanDerWaalsContact O-CG 3.22Å; P33-N37 PolarHBondContact O-N 3.48Å; P33-N37 PolarHBondContact O-ND2 2.97Å |
| 34 | M | 95.5 | Very high | 95.8 | Very high | 130 Ų | 130 | 94.7 Ų | 94.7 | 64% | 0.64 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.6 | -45.6 | 175.3 | -168.7 | -82.3 | -177.9 | 0 | 0 | 110.9 | V30 T31 L32 N37 Y38 | V30-M34 WeakPolarHBondContact O-CB 3.38Å; T31-M34 PolarHBondContact O-N 2.96Å; L32-M34 VanDerWaalsContact C-N 3.33Å; L32-M34 PolarHBondContact O-N 3.45Å; M34-N37 PolarHBondContact O-N 3.02Å; M34-Y38 WeakPolarHBondContact O-CB 3.38Å; M34-Y38 PolarHBondContact O-N 3.48Å |
| 35 | L | 96.2 | Very high | 95.5 | Very high | 100 Ų | 100 | 96.2 Ų | 96.2 | 52% | 0.524 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 176.1 | -177 | 64.6 | 0 | 0 | 0 | 111.9 | T31 L32 N37 Y38 V39 | T31-L35 VanDerWaalsContact O-CB 3.3Å; T31-L35 WeakPolarHBondContact O-CB 2.98Å; T31-L35 PolarHBondContact O-N 2.88Å; L32-L35 PolarHBondContact O-N 3.37Å; L35-N37 PolarHBondContact O-N 3.44Å; L35-Y38 PolarHBondContact O-N 3.43Å; L35-V39 HydrophobicContact CD1-CG2 4.37Å; L35-V39 WeakPolarHBondContact O-CG2 3.35Å; L35-V39 PolarHBondContact O-N 2.88Å |
| 36 | Y | 96.8 | Very high | 95.3 | Very high | 139 Ų | 139 | 95.1 Ų | 95.1 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 176.2 | 178.2 | -96.7 | 0 | 0 | 0 | 111.8 | L32 P33 Y38 V39 R40 | L32-Y36 WeakPolarHBondContact O-CB 3.42Å; L32-Y36 PolarHBondContact O-N 3.38Å; P33-Y36 PolarHBondContact O-N 3.42Å; Y36-Y38 VanDerWaalsContact C-N 3.35Å; Y36-Y38 PolarHBondContact O-N 2.96Å; Y36-V39 PolarHBondContact O-N 2.91Å; Y36-R40 HydrophobicContact CE1-CG 4.17Å; Y36-R40 PolarHBondContact O-N 3.27Å |
| 37 | N | 95.6 | Very high | 95 | Very high | 102 Ų | 102 | 97.9 Ų | 97.9 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 177.3 | -71.4 | -16.8 | 0 | 0 | 0 | 112 | P33 M34 L35 Y41 | P33-N37 WeakPolarHBondContact O-CB 3.47Å; P33-N37 VanDerWaalsContact O-CG 3.22Å; P33-N37 PolarHBondContact O-N 3.48Å; P33-N37 PolarHBondContact O-ND2 2.97Å; M34-N37 PolarHBondContact O-N 3.02Å; L35-N37 PolarHBondContact O-N 3.44Å; N37-Y41 WeakPolarHBondContact O-CB 3.34Å; N37-Y41 PolarHBondContact O-N 3.49Å |
| 38 | Y | 96.1 | Very high | 94.5 | Very high | 141 Ų | 141 | 100.9 Ų | 100.9 | 55% | 0.553 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.9 | -46.3 | 176.7 | -179.4 | -99.8 | 0 | 0 | 0 | 112 | M34 L35 Y36 R40 Y41 V42 | M34-Y38 WeakPolarHBondContact O-CB 3.38Å; M34-Y38 PolarHBondContact O-N 3.48Å; L35-Y38 PolarHBondContact O-N 3.43Å; Y36-Y38 VanDerWaalsContact C-N 3.35Å; Y36-Y38 PolarHBondContact O-N 2.96Å; Y38-R40 VanDerWaalsContact C-N 3.35Å; Y38-R40 PolarHBondContact O-N 3.29Å; Y38-Y41 PolarHBondContact O-N 3.47Å; Y38-V42 HydrophobicContact CD1-CG2 4.29Å; Y38-V42 HydrophobicContact CE1-CG2 3.88Å; Y38-V42 HydrophobicContact CE2-CG2 4.21Å; Y38-V42 WeakPolarHBondContact O-CG2 3.39Å; Y38-V42 PolarHBondContact O-N 2.86Å |
| 39 | V | 96.6 | Very high | 93.9 | Very high | 66 Ų | 66 | 102.5 Ų | 102.5 | 40% | 0.4 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 177.1 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | L35 Y36 Y41 V42 E43 | L35-V39 HydrophobicContact CD1-CG2 4.37Å; L35-V39 WeakPolarHBondContact O-CG2 3.35Å; L35-V39 PolarHBondContact O-N 2.88Å; Y36-V39 PolarHBondContact O-N 2.91Å; V39-Y41 PolarHBondContact O-N 3.21Å; V39-V42 PolarHBondContact O-N 3.44Å; V39-E43 HydrophobicContact CG1-CG 4.37Å; V39-E43 WeakPolarHBondContact O-CG 3.42Å; V39-E43 PolarHBondContact O-N 2.98Å |
| 40 | R | 95.5 | Very high | 93.5 | Very high | 122 Ų | 122 | 104 Ų | 104 | 46% | 0.46 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 175.9 | -85.1 | -67 | -164.3 | 172.5 | -0.4 | 113.1 | Y36 Y38 V42 E43 D44 | Y36-R40 HydrophobicContact CE1-CG 4.17Å; Y36-R40 PolarHBondContact O-N 3.27Å; Y38-R40 VanDerWaalsContact C-N 3.35Å; Y38-R40 PolarHBondContact O-N 3.29Å; R40-V42 VanDerWaalsContact C-N 3.33Å; R40-V42 PolarHBondContact O-N 3.33Å; R40-E43 PolarHBondContact O-N 3.09Å; R40-D44 PolarHBondContact O-N 2.93Å |
| 41 | Y | 94.7 | Very high | 93 | Very high | 142 Ų | 142 | 103.4 Ų | 103.4 | 56% | 0.557 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.7 | -42.8 | 176.3 | 174.3 | -95.7 | 0 | 0 | 0 | 112.2 | N37 Y38 V39 Q45 | N37-Y41 WeakPolarHBondContact O-CB 3.34Å; N37-Y41 PolarHBondContact O-N 3.49Å; Y38-Y41 PolarHBondContact O-N 3.47Å; V39-Y41 PolarHBondContact O-N 3.21Å; Y41-Q45 HydrophobicContact CD1-CG 4.49Å; Y41-Q45 HydrophobicContact CE1-CG 3.99Å; Y41-Q45 HydrophobicContact CE2-CG 4.39Å; Y41-Q45 WeakPolarHBondContact O-CG 3.45Å; Y41-Q45 PolarHBondContact O-N 3.03Å; Y41-Q45 VanDerWaalsContact O-N 3.09Å |
| 42 | V | 94.4 | Very high | 92.4 | Very high | 56 Ų | 56 | 103.9 Ų | 103.9 | 34% | 0.339 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.4 | -40.1 | 177.9 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | Y38 V39 R40 Q45 V46 | Y38-V42 HydrophobicContact CD1-CG2 4.29Å; Y38-V42 HydrophobicContact CE1-CG2 3.88Å; Y38-V42 HydrophobicContact CE2-CG2 4.21Å; Y38-V42 WeakPolarHBondContact O-CG2 3.39Å; Y38-V42 PolarHBondContact O-N 2.86Å; V39-V42 PolarHBondContact O-N 3.44Å; R40-V42 VanDerWaalsContact C-N 3.33Å; R40-V42 PolarHBondContact O-N 3.33Å; V42-Q45 PolarHBondContact O-N 3.42Å; V42-V46 HydrophobicContact CG1-CG2 4.21Å; V42-V46 WeakPolarHBondContact O-CB 3.5Å; V42-V46 VanDerWaalsContact O-CG2 3.25Å; V42-V46 WeakPolarHBondContact O-CG2 3.25Å; V42-V46 PolarHBondContact O-N 3.46Å |
| 43 | E | 93.6 | Very high | 91.8 | Very high | 99 Ų | 99 | 103.1 Ų | 103.1 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.7 | -46.8 | 174.7 | -77 | -179.8 | 163.9 | 0 | 0 | 111.8 | V39 R40 V46 Q47 | V39-E43 HydrophobicContact CG1-CG 4.37Å; V39-E43 WeakPolarHBondContact O-CG 3.42Å; V39-E43 PolarHBondContact O-N 2.98Å; R40-E43 PolarHBondContact O-N 3.09Å; E43-V46 PolarHBondContact O-N 2.91Å; E43-Q47 WeakPolarHBondContact O-CG 3.45Å; E43-Q47 PolarHBondContact O-N 3.34Å |
| 44 | D | 91 | Very high | 91.4 | Very high | 92 Ų | 92 | 105.2 Ų | 105.2 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 179.1 | -72.5 | -13.6 | 0 | 0 | 0 | 111.2 | R40 V46 Q47 E48 | R40-D44 PolarHBondContact O-N 2.93Å; D44-V46 PolarHBondContact O-N 3.07Å; D44-Q47 PolarHBondContact O-N 3.42Å; D44-E48 PolarHBondContact O-N 2.91Å |
| 45 | Q | 90.2 | Very high | 91 | Very high | 87 Ų | 87 | 103.8 Ų | 103.8 | 41% | 0.407 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 175.2 | -81.4 | -98.2 | -73.3 | 0 | 0 | 112.3 | Y41 V42 E48 D49 | Y41-Q45 HydrophobicContact CD1-CG 4.49Å; Y41-Q45 HydrophobicContact CE1-CG 3.99Å; Y41-Q45 HydrophobicContact CE2-CG 4.39Å; Y41-Q45 WeakPolarHBondContact O-CG 3.45Å; Y41-Q45 PolarHBondContact O-N 3.03Å; Y41-Q45 VanDerWaalsContact O-N 3.09Å; V42-Q45 PolarHBondContact O-N 3.42Å; Q45-E48 PolarHBondContact O-N 3.49Å; Q45-D49 PolarHBondContact O-N 3.46Å; Q45-D49 VanDerWaalsContact O-N 3.11Å |
| 46 | V | 91.8 | Very high | 90.4 | Very high | 82 Ų | 82 | 102.4 Ų | 102.4 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.9 | -37 | -179.3 | 172.3 | 0 | 0 | 0 | 0 | 111 | V42 E43 D44 D49 L50 | V42-V46 HydrophobicContact CG1-CG2 4.21Å; V42-V46 WeakPolarHBondContact O-CB 3.5Å; V42-V46 VanDerWaalsContact O-CG2 3.25Å; V42-V46 WeakPolarHBondContact O-CG2 3.25Å; V42-V46 PolarHBondContact O-N 3.46Å; E43-V46 PolarHBondContact O-N 2.91Å; D44-V46 PolarHBondContact O-N 3.07Å; V46-D49 PolarHBondContact O-N 3.33Å; V46-L50 VanDerWaalsContact O-CB 3.25Å; V46-L50 WeakPolarHBondContact O-CB 3.27Å; V46-L50 PolarHBondContact O-N 3.11Å |
| 47 | Q | 90.6 | Very high | 89.7 | Confident | 131 Ų | 131 | 98 Ų | 98 | 61% | 0.612 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.4 | -43.3 | 175.9 | -79.9 | -155.1 | -41.9 | 0 | 0 | 112.3 | E43 D44 L50 I51 | E43-Q47 WeakPolarHBondContact O-CG 3.45Å; E43-Q47 PolarHBondContact O-N 3.34Å; D44-Q47 PolarHBondContact O-N 3.42Å; Q47-L50 PolarHBondContact O-N 3.46Å; Q47-I51 VanDerWaalsContact O-CG1 3.27Å; Q47-I51 WeakPolarHBondContact O-CG1 3.28Å; Q47-I51 PolarHBondContact O-N 2.88Å |
| 48 | E | 86.4 | Confident | 89 | Confident | 130 Ų | 130 | 99.1 Ų | 99.1 | 61% | 0.607 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.7 | -46.7 | 176.3 | -73.3 | -168 | 157.9 | 0 | 0 | 111.6 | D44 Q45 L50 I51 M52 | D44-E48 PolarHBondContact O-N 2.91Å; Q45-E48 PolarHBondContact O-N 3.49Å; E48-L50 VanDerWaalsContact C-N 3.35Å; E48-L50 PolarHBondContact O-N 3.1Å; E48-I51 PolarHBondContact O-N 3.44Å; E48-M52 VanDerWaalsContact O-CG 3.25Å; E48-M52 WeakPolarHBondContact O-CG 3.25Å; E48-M52 PolarHBondContact O-N 3.45Å; E48-M52 VanDerWaalsContact O-N 3.1Å |
| 49 | D | 84.2 | Confident | 88.2 | Confident | 108 Ų | 108 | 96.7 Ų | 96.7 | 58% | 0.578 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.6 | -37.8 | 178.2 | -79 | -17.9 | 0 | 0 | 0 | 112.4 | Q45 V46 M52 C53 | Q45-D49 PolarHBondContact O-N 3.46Å; Q45-D49 VanDerWaalsContact O-N 3.11Å; V46-D49 PolarHBondContact O-N 3.33Å; D49-M52 PolarHBondContact O-N 2.68Å; D49-C53 VanDerWaalsContact O-CB 3.25Å; D49-C53 WeakPolarHBondContact O-CB 3.25Å; D49-C53 PolarHBondContact O-N 3.03Å |
| 50 | L | 87.4 | Confident | 87.3 | Confident | 112 Ų | 112 | 99 Ų | 99 | 59% | 0.586 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -69.9 | -38.9 | -179.7 | -158.7 | 114.7 | 0 | 0 | 0 | 111.9 | V46 Q47 E48 C53 Q54 | V46-L50 VanDerWaalsContact O-CB 3.25Å; V46-L50 WeakPolarHBondContact O-CB 3.27Å; V46-L50 PolarHBondContact O-N 3.11Å; Q47-L50 PolarHBondContact O-N 3.46Å; E48-L50 VanDerWaalsContact C-N 3.35Å; E48-L50 PolarHBondContact O-N 3.1Å; L50-C53 PolarHBondContact O-N 3.02Å; L50-Q54 VanDerWaalsContact O-CB 3.28Å; L50-Q54 WeakPolarHBondContact O-CB 3.25Å; L50-Q54 PolarHBondContact O-N 3.4Å |
| 51 | I | 87.8 | Confident | 86.7 | Confident | 90 Ų | 90 | 98.1 Ų | 98.1 | 46% | 0.462 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -49 | 173.9 | -69.2 | 166.2 | 0 | 0 | 0 | 109.6 | Q47 E48 C53 Q54 E55 | Q47-I51 VanDerWaalsContact O-CG1 3.27Å; Q47-I51 WeakPolarHBondContact O-CG1 3.28Å; Q47-I51 PolarHBondContact O-N 2.88Å; E48-I51 PolarHBondContact O-N 3.44Å; I51-C53 VanDerWaalsContact C-N 3.32Å; I51-C53 PolarHBondContact O-N 3.35Å; I51-Q54 PolarHBondContact O-N 2.89Å; I51-E55 WeakPolarHBondContact O-CG 3.01Å; I51-E55 PolarHBondContact O-N 3.03Å |
| 52 | M | 81.9 | Confident | 85.8 | Confident | 86 Ų | 86 | 96.9 Ų | 96.9 | 42% | 0.424 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.9 | -42.8 | 177.6 | -71.1 | -77.3 | -72.8 | 0 | 0 | 112.1 | E48 D49 T56 Y279 | E48-M52 VanDerWaalsContact O-CG 3.25Å; E48-M52 WeakPolarHBondContact O-CG 3.25Å; E48-M52 PolarHBondContact O-N 3.45Å; E48-M52 VanDerWaalsContact O-N 3.1Å; D49-M52 PolarHBondContact O-N 2.68Å; M52-T56 WeakPolarHBondContact O-CB 3.45Å; M52-T56 PolarHBondContact O-N 2.97Å; M52-T56 VanDerWaalsContact O-N 3.07Å; M52-T56 PolarHBondContact O-OG1 3.38Å; M52-Y279 HydrophobicContact CE-CE1 4.34Å |
| 53 | C | 85 | Confident | 84.9 | Confident | 88 Ų | 88 | 99.7 Ų | 99.7 | 60% | 0.595 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.9 | -37.7 | 179.2 | -160.1 | 0 | 0 | 0 | 0 | 111.8 | D49 L50 I51 A57 | D49-C53 VanDerWaalsContact O-CB 3.25Å; D49-C53 WeakPolarHBondContact O-CB 3.25Å; D49-C53 PolarHBondContact O-N 3.03Å; L50-C53 PolarHBondContact O-N 3.02Å; I51-C53 VanDerWaalsContact C-N 3.32Å; I51-C53 PolarHBondContact O-N 3.35Å; C53-A57 VanDerWaalsContact O-CB 3.32Å; C53-A57 WeakPolarHBondContact O-CB 3.32Å; C53-A57 PolarHBondContact O-N 3.21Å |
| 54 | Q | 89 | Confident | 83.9 | Confident | 107 Ų | 107 | 101.1 Ų | 101.1 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.3 | -40.4 | 177.6 | -171.6 | -179.1 | 1.2 | 0 | 0 | 112.2 | L50 I51 R58 | L50-Q54 VanDerWaalsContact O-CB 3.28Å; L50-Q54 WeakPolarHBondContact O-CB 3.25Å; L50-Q54 PolarHBondContact O-N 3.4Å; I51-Q54 PolarHBondContact O-N 2.89Å; Q54-R58 WeakPolarHBondContact O-CB 3.33Å; Q54-R58 PolarHBondContact O-N 3.45Å |
| 55 | E | 86.3 | Confident | 83.1 | Confident | 99 Ų | 99 | 105.3 Ų | 105.3 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -47.9 | 175.2 | -71.9 | -176 | 164.7 | 0 | 0 | 110.9 | I51 A57 R58 D59 | I51-E55 WeakPolarHBondContact O-CG 3.01Å; I51-E55 PolarHBondContact O-N 3.03Å; E55-A57 PolarHBondContact O-N 2.96Å; E55-R58 WeakPolarHBondContact O-CB 3.38Å; E55-R58 PolarHBondContact O-N 2.92Å; E55-R58 VanDerWaalsContact O-N 3.11Å; E55-D59 PolarHBondContact O-N 3.32Å |
| 56 | T | 83.6 | Confident | 82.2 | Confident | 72 Ų | 72 | 107.5 Ų | 107.5 | 44% | 0.442 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.1 | -46 | 176.5 | -53.2 | 0 | 0 | 0 | 0 | 111.6 | M52 R58 D59 F60 | M52-T56 WeakPolarHBondContact O-CB 3.45Å; M52-T56 PolarHBondContact O-N 2.97Å; M52-T56 VanDerWaalsContact O-N 3.07Å; M52-T56 PolarHBondContact O-OG1 3.38Å; T56-R58 VanDerWaalsContact C-N 3.32Å; T56-R58 PolarHBondContact O-N 3.38Å; T56-D59 PolarHBondContact O-N 3.31Å; T56-F60 HydrophobicContact CG2-CD2 3.93Å; T56-F60 HydrophobicContact CG2-CE2 3.8Å; T56-F60 VanDerWaalsContact O-CD2 3.29Å; T56-F60 WeakPolarHBondContact O-CD2 3.43Å; T56-F60 PolarHBondContact O-N 3.14Å; T56-F60 VanDerWaalsContact O-N 3.08Å |
| 57 | A | 82.4 | Confident | 80.7 | Confident | 46 Ų | 46 | 109.5 Ų | 109.5 | 38% | 0.38 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.8 | -36.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | C53 E55 F60 I61 | C53-A57 VanDerWaalsContact O-CB 3.32Å; C53-A57 WeakPolarHBondContact O-CB 3.32Å; C53-A57 PolarHBondContact O-N 3.21Å; E55-A57 PolarHBondContact O-N 2.96Å; A57-F60 PolarHBondContact O-N 2.74Å; A57-I61 VanDerWaalsContact O-CG1 3.25Å; A57-I61 WeakPolarHBondContact O-CG1 3.41Å; A57-I61 PolarHBondContact O-N 3.07Å |
| 58 | R | 80.1 | Confident | 79.2 | Confident | 125 Ų | 125 | 110.3 Ų | 110.3 | 47% | 0.472 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 177.5 | -168.6 | -175.2 | -69.6 | 139.6 | -2.7 | 111.4 | Q54 E55 T56 I61 K62 | Q54-R58 WeakPolarHBondContact O-CB 3.33Å; Q54-R58 PolarHBondContact O-N 3.45Å; E55-R58 WeakPolarHBondContact O-CB 3.38Å; E55-R58 PolarHBondContact O-N 2.92Å; E55-R58 VanDerWaalsContact O-N 3.11Å; T56-R58 VanDerWaalsContact C-N 3.32Å; T56-R58 PolarHBondContact O-N 3.38Å; R58-I61 PolarHBondContact O-N 3.01Å; R58-K62 WeakPolarHBondContact O-CG 3.38Å; R58-K62 PolarHBondContact O-N 2.95Å; R58-K62 VanDerWaalsContact O-N 3.09Å |
| 59 | D | 80.4 | Confident | 77.9 | Confident | 91 Ų | 91 | 108.3 Ų | 108.3 | 49% | 0.487 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68 | -42.2 | 177.9 | -68.8 | -22.5 | 0 | 0 | 0 | 111.4 | E55 T56 I61 K62 E63 | E55-D59 PolarHBondContact O-N 3.32Å; T56-D59 PolarHBondContact O-N 3.31Å; D59-I61 PolarHBondContact O-N 3.04Å; D59-K62 PolarHBondContact O-N 3.44Å; D59-K62 IonicContact OD1-NZ 3.21Å; D59-E63 PolarHBondContact O-N 3.09Å; D59-E63 VanDerWaalsContact O-N 3.11Å |
| 60 | F | 77.4 | Confident | 76.5 | Confident | 113 Ų | 113 | 107.8 Ų | 107.8 | 50% | 0.496 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.3 | -46 | 172.3 | -87.5 | -69.4 | 0 | 0 | 0 | 112.7 | T56 A57 K62 E63 F64 | T56-F60 HydrophobicContact CG2-CD2 3.93Å; T56-F60 HydrophobicContact CG2-CE2 3.8Å; T56-F60 VanDerWaalsContact O-CD2 3.29Å; T56-F60 WeakPolarHBondContact O-CD2 3.43Å; T56-F60 PolarHBondContact O-N 3.14Å; T56-F60 VanDerWaalsContact O-N 3.08Å; A57-F60 PolarHBondContact O-N 2.74Å; F60-K62 VanDerWaalsContact C-N 3.29Å; F60-K62 PolarHBondContact O-N 3.01Å; F60-E63 PolarHBondContact O-N 3.42Å; F60-F64 VanDerWaalsContact O-CD2 3.31Å; F60-F64 WeakPolarHBondContact O-CD2 3.46Å; F60-F64 PolarHBondContact O-N 3.11Å |
| 61 | I | 82.3 | Confident | 74.8 | Confident | 105 Ų | 105 | 109.5 Ų | 109.5 | 54% | 0.538 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.4 | -35.2 | -179.3 | -68.9 | 166.9 | 0 | 0 | 0 | 111.5 | A57 R58 D59 R65 | A57-I61 VanDerWaalsContact O-CG1 3.25Å; A57-I61 WeakPolarHBondContact O-CG1 3.41Å; A57-I61 PolarHBondContact O-N 3.07Å; R58-I61 PolarHBondContact O-N 3.01Å; D59-I61 PolarHBondContact O-N 3.04Å; I61-R65 WeakPolarHBondContact O-CB 3.42Å; I61-R65 PolarHBondContact O-N 2.83Å |
| 62 | K | 76.4 | Confident | 73 | Confident | 116 Ų | 116 | 112.6 Ų | 112.6 | 50% | 0.504 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.3 | -48.4 | 175.2 | -75.4 | 173.5 | -177.9 | 171.3 | 0 | 111.3 | R58 D59 F60 F64 R65 E66 | R58-K62 WeakPolarHBondContact O-CG 3.38Å; R58-K62 PolarHBondContact O-N 2.95Å; R58-K62 VanDerWaalsContact O-N 3.09Å; D59-K62 PolarHBondContact O-N 3.44Å; D59-K62 IonicContact OD1-NZ 3.21Å; F60-K62 VanDerWaalsContact C-N 3.29Å; F60-K62 PolarHBondContact O-N 3.01Å; K62-F64 VanDerWaalsContact C-N 3.33Å; K62-F64 PolarHBondContact O-N 3.31Å; K62-R65 PolarHBondContact O-N 2.96Å; K62-E66 WeakPolarHBondContact O-CG 3.25Å; K62-E66 PolarHBondContact O-N 3.49Å |
| 63 | E | 76.2 | Confident | 71.3 | Confident | 115 Ų | 115 | 111.9 Ų | 111.9 | 54% | 0.537 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -58.6 | -44.9 | 176.6 | -74.8 | -167.9 | 147.3 | 0 | 0 | 111.6 | D59 F60 R65 E66 Q67 | D59-E63 PolarHBondContact O-N 3.09Å; D59-E63 VanDerWaalsContact O-N 3.11Å; F60-E63 PolarHBondContact O-N 3.42Å; E63-R65 PolarHBondContact O-N 3.17Å; E63-E66 PolarHBondContact O-N 3.08Å; E63-Q67 WeakPolarHBondContact O-CB 3.29Å; E63-Q67 PolarHBondContact O-N 3.38Å |
| 64 | F | 71.7 | Confident | 69.1 | Low | 128 Ų | 128 | 115.9 Ų | 115.9 | 56% | 0.561 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.5 | -40.9 | 177.9 | -91.1 | -76.6 | 0 | 0 | 0 | 112.3 | F60 K62 Q67 E68 | F60-F64 VanDerWaalsContact O-CD2 3.31Å; F60-F64 WeakPolarHBondContact O-CD2 3.46Å; F60-F64 PolarHBondContact O-N 3.11Å; K62-F64 VanDerWaalsContact C-N 3.33Å; K62-F64 PolarHBondContact O-N 3.31Å; F64-Q67 PolarHBondContact O-N 3.29Å; F64-E68 WeakPolarHBondContact O-CB 3.31Å; F64-E68 PolarHBondContact O-N 2.98Å |
| 65 | R | 74.4 | Confident | 66.8 | Low | 181 Ų | 181 | 116.9 Ų | 116.9 | 68% | 0.683 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.1 | -39.3 | 177.8 | -171.8 | -176.1 | -67.1 | -177.9 | -1.5 | 112.1 | I61 K62 E63 Q67 E68 S69 | I61-R65 WeakPolarHBondContact O-CB 3.42Å; I61-R65 PolarHBondContact O-N 2.83Å; K62-R65 PolarHBondContact O-N 2.96Å; E63-R65 PolarHBondContact O-N 3.17Å; R65-Q67 VanDerWaalsContact C-N 3.35Å; R65-E68 PolarHBondContact O-N 3.46Å; R65-S69 PolarHBondContact O-N 3.35Å; R65-S69 VanDerWaalsContact O-N 3.09Å |
| 66 | E | 71 | Confident | 64.4 | Low | 133 Ų | 133 | 119.3 Ų | 119.3 | 62% | 0.621 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.9 | -43.4 | 174.3 | -73.3 | 178.4 | -179.8 | 0 | 0 | 110.6 | K62 E63 E68 S69 S70 | K62-E66 WeakPolarHBondContact O-CG 3.25Å; K62-E66 PolarHBondContact O-N 3.49Å; E63-E66 PolarHBondContact O-N 3.08Å; E66-E68 PolarHBondContact O-N 3.37Å; E66-S69 PolarHBondContact O-N 2.04Å; E66-S69 PolarHBondContact O-OG 3.11Å; E66-S70 PolarHBondContact O-N 3.45Å |
| 67 | Q | 60.4 | Low | 62.1 | Low | 123 Ų | 123 | 124.9 Ų | 124.9 | 58% | 0.575 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.8 | -38.1 | 177.8 | -168.4 | 174.2 | -14.9 | 0 | 0 | 112.4 | E63 F64 R65 S69 S70 F71 | E63-Q67 WeakPolarHBondContact O-CB 3.29Å; E63-Q67 PolarHBondContact O-N 3.38Å; F64-Q67 PolarHBondContact O-N 3.29Å; R65-Q67 VanDerWaalsContact C-N 3.35Å; Q67-S69 VanDerWaalsContact C-N 3.33Å; Q67-S70 PolarHBondContact O-N 3.38Å; Q67-F71 PolarHBondContact O-N 3.03Å; Q67-F71 VanDerWaalsContact O-N 3.07Å |
| 68 | E | 59.8 | Low | 59.9 | Low | 148 Ų | 148 | 127.5 Ų | 127.5 | 69% | 0.692 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.3 | -35.7 | 175.7 | -143.4 | -179.1 | 160.7 | 0 | 0 | 111.8 | F64 R65 E66 S70 F71 N72 | F64-E68 WeakPolarHBondContact O-CB 3.31Å; F64-E68 PolarHBondContact O-N 2.98Å; R65-E68 PolarHBondContact O-N 3.46Å; E66-E68 PolarHBondContact O-N 3.37Å; E68-S70 PolarHBondContact O-N 2.99Å; E68-F71 PolarHBondContact O-N 3.43Å; E68-N72 PolarHBondContact O-N 3.46Å |
| 69 | S | 58 | Low | 57.6 | Low | 88 Ų | 88 | 125 Ų | 125 | 62% | 0.615 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -67.7 | -32.5 | 177.1 | 77.7 | 0 | 0 | 0 | 0 | 113.4 | R65 E66 Q67 | R65-S69 PolarHBondContact O-N 3.35Å; R65-S69 VanDerWaalsContact O-N 3.09Å; E66-S69 PolarHBondContact O-N 2.04Å; E66-S69 PolarHBondContact O-OG 3.11Å; Q67-S69 VanDerWaalsContact C-N 3.33Å |
| 70 | S | 55.7 | Low | 55.4 | Low | 97 Ų | 97 | 131 Ų | 131 | 68% | 0.678 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -78.6 | -31 | 172.8 | -89.3 | 0 | 0 | 0 | 0 | 113.2 | E66 Q67 E68 N72 | E66-S70 PolarHBondContact O-N 3.45Å; Q67-S70 PolarHBondContact O-N 3.38Å; E68-S70 PolarHBondContact O-N 2.99Å; S70-N72 VanDerWaalsContact C-N 3.31Å; S70-N72 PolarHBondContact O-N 3.31Å |
| 71 | F | 51.7 | Low | 53.4 | Low | 149 Ų | 149 | 129.5 Ų | 129.5 | 65% | 0.654 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -74.4 | -21.1 | -176.4 | -156.9 | -99.2 | 0 | 0 | 0 | 113.4 | Q67 E68 A73 L76 | Q67-F71 PolarHBondContact O-N 3.03Å; Q67-F71 VanDerWaalsContact O-N 3.07Å; E68-F71 PolarHBondContact O-N 3.43Å; F71-A73 PolarHBondContact O-N 2.06Å; F71-L76 HydrophobicContact CE1-CD1 4.41Å; F71-L76 HydrophobicContact CZ-CD1 4.15Å |
| 72 | N | 49.6 | Very low | 51.3 | Low | 154 Ų | 154 | 132.3 Ų | 132.3 | 82% | 0.824 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 8.8 | 179.4 | -140.6 | 5 | 0 | 0 | 0 | 114.3 | E68 S70 | E68-N72 PolarHBondContact O-N 3.46Å; S70-N72 VanDerWaalsContact C-N 3.31Å; S70-N72 PolarHBondContact O-N 3.31Å |
| 73 | A | 46.8 | Very low | 49.5 | Very low | 71 Ų | 71 | 132.5 Ų | 132.5 | 59% | 0.587 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -126.8 | 52.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | F71 | F71-A73 PolarHBondContact O-N 2.06Š|
| 74 | Q | 38.6 | Very low | 47.3 | Very low | 173 Ų | 173 | 136 Ų | 136 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -175.1 | 133.3 | 146.9 | -102.2 | 151.2 | 12 | 0 | 0 | 112.3 | ||
| 75 | P | 39.6 | Very low | 45.8 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | trans | -72 | 141.5 | 179.2 | 26.7 | -27.2 | 0 | 0 | 0 | 111.7 | E77 | P75-E77 PolarHBondContact O-N 3.45Š| ||
| 76 | L | 36 | Very low | 43.9 | Very low | 150 Ų | 150 | 140 Ų | 140 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | -62.2 | 86.7 | -169.8 | -146.3 | 95.5 | 0 | 0 | 0 | 112.8 | F71 | F71-L76 HydrophobicContact CE1-CD1 4.41Å; F71-L76 HydrophobicContact CZ-CD1 4.15Å | ||
| 77 | E | 36.2 | Very low | 42.6 | Very low | 189 Ų | 189 | 138.7 Ų | 138.7 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | trans | -91.2 | 121.9 | 163.7 | -86.9 | -75.7 | 127.1 | 0 | 0 | 109.6 | P75 | P75-E77 PolarHBondContact O-N 3.45Š| ||
| 78 | A | 35 | Very low | 41.6 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | -74.6 | 129.9 | -167.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 79 | G | 32.7 | Very low | 41.1 | Very low | 72 Ų | 72 | 135.7 Ų | 135.7 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 127.8 | 111.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 80 | K | 33.3 | Very low | 40.3 | Very low | 216 Ų | 216 | 138.6 Ų | 138.6 | 94% | 0.939 | 76% | 0.761 | S | S | * | * | trans | 68.3 | 72.8 | 157.4 | -92.1 | 171.7 | 173.2 | 174.3 | 0 | 116.6 | ||||
| 81 | A | 35.5 | Very low | 39.9 | Very low | 82 Ų | 82 | 139.3 Ų | 139.3 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | trans | -141.4 | 97.2 | 137.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | V83 | A81-V83 HydrophobicContact CB-CG2 4.44Å; A81-V83 PolarHBondContact O-N 3.21Å | ||
| 82 | I | 38 | Very low | 39.9 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | trans | -60.2 | 95 | 150.9 | -63.3 | 169.6 | 0 | 0 | 0 | 103 | K84 | I82-K84 PolarHBondContact O-N 3Š| ||
| 83 | V | 38.9 | Very low | 40.2 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | -58.6 | 95.8 | 172.9 | 173.5 | 0 | 0 | 0 | 0 | 104.6 | A81 R85 | A81-V83 HydrophobicContact CB-CG2 4.44Å; A81-V83 PolarHBondContact O-N 3.21Å; V83-R85 PolarHBondContact O-N 3.42Å | ||
| 84 | K | 30.7 | Very low | 40.6 | Very low | 188 Ų | 188 | 140 Ų | 140 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | trans | -54.9 | 102.7 | 162.4 | -83.5 | -179.4 | 174.1 | 178.2 | 0 | 104.1 | I82 Q86 | I82-K84 PolarHBondContact O-N 3Å; K84-Q86 PolarHBondContact O-N 2.89Å | ||
| 85 | R | 39.8 | Very low | 41.5 | Very low | 201 Ų | 201 | 133.4 Ų | 133.4 | 76% | 0.758 | 73% | 0.725 | S | S | * | * | trans | -40 | 107.6 | 162.5 | -96.7 | 175 | 168.3 | 173.8 | -5.9 | 106.3 | V83 V87 | V83-R85 PolarHBondContact O-N 3.42Å; R85-V87 HydrophobicContact CB-CG2 4.35Å; R85-V87 PolarHBondContact O-N 3.34Å | ||
| 86 | Q | 34.8 | Very low | 42.5 | Very low | 191 Ų | 191 | 131.1 Ų | 131.1 | 89% | 0.893 | 71% | 0.705 | S | S | * | * | trans | -67.9 | 81 | 160.1 | -80.1 | 167.3 | -4.5 | 0 | 0 | 104.6 | K84 | K84-Q86 PolarHBondContact O-N 2.89Š| ||
| 87 | V | 42.8 | Very low | 43.7 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 65% | 0.648 | 70% | 0.698 | S | S | * | * | trans | -57.8 | 122.1 | 158.6 | 175.7 | 0 | 0 | 0 | 0 | 104.4 | R85 | R85-V87 HydrophobicContact CB-CG2 4.35Å; R85-V87 PolarHBondContact O-N 3.34Å | ||
| 88 | P | 39.6 | Very low | 44.9 | Very low | 94 Ų | 94 | 120.3 Ų | 120.3 | 61% | 0.61 | 66% | 0.663 | S | S | * | * | trans | -56.8 | 136.3 | -172.3 | 21.6 | -31.5 | 0 | 0 | 0 | 109.2 | E90 | P88-E90 PolarHBondContact O-N 2.96Š| ||
| 89 | P | 48.8 | Very low | 46.5 | Very low | 113 Ų | 113 | 122.6 Ų | 122.6 | 73% | 0.734 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -72.2 | 9.3 | -167.5 | 28.8 | -33.6 | 0 | 0 | 0 | 114.5 | ||
| 90 | E | 41.7 | Very low | 48.4 | Very low | 149 Ų | 149 | 122.3 Ų | 122.3 | 70% | 0.696 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -102 | 18.1 | -170 | -67.1 | -168.8 | 129 | 0 | 0 | 115 | P88 R92 | P88-E90 PolarHBondContact O-N 2.96Å; E90-R92 PolarHBondContact O-N 2.89Å |
| 91 | C | 48.2 | Very low | 50.4 | Low | 113 Ų | 113 | 112.3 Ų | 112.3 | 76% | 0.764 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -77.4 | 7.1 | 157.1 | -77.3 | 0 | 0 | 0 | 0 | 112.7 | D93 | C91-D93 VanDerWaalsContact C-N 3.35Š|
| 92 | R | 50.8 | Low | 52.3 | Low | 217 Ų | 217 | 112.5 Ų | 112.5 | 82% | 0.819 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -74.3 | -24.5 | 173.7 | -107.8 | -178.6 | 156.6 | -166.1 | -8.9 | 113.2 | E90 | E90-R92 PolarHBondContact O-N 2.89Š|
| 93 | D | 56 | Low | 54.1 | Low | 130 Ų | 130 | 108.9 Ų | 108.9 | 70% | 0.695 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -98.8 | -4.1 | -172.4 | -60.1 | -47.2 | 0 | 0 | 0 | 114 | C91 | C91-D93 VanDerWaalsContact C-N 3.35Š|
| 94 | C | 54.7 | Low | 56 | Low | 40 Ų | 40 | 103.4 Ų | 103.4 | 27% | 0.27 | 56% | 0.558 | S | S | . | * | trans | -93.8 | 15 | -175.6 | -104.2 | 0 | 0 | 0 | 0 | 115.1 | C280 | C94-C280 HydrophobicContact CB-CB 4.35Å; C94-C280 WeakPolarHBondContact CB-SG 3.5Å; C94-C280 WeakPolarHBondContact SG-CB 3.38Å; C94-C280 CovalentContact SG-SG 2.04Å; C94-C280 PolarHBondContact SG-SG 3.11Å | ||
| 95 | C | 57.6 | Low | 58.4 | Low | 36 Ų | 36 | 101 Ų | 101 | 24% | 0.243 | 55% | 0.553 | C | S | . | * | trans | -100.8 | 109.7 | 171.9 | -171.1 | 0 | 0 | 0 | 0 | 108.3 | P97 C143 | C95-P97 WeakPolarHBondContact O-CD 3.31Å; C95-C143 WeakPolarHBondContact CB-SG 3.46Å; C95-C143 WeakPolarHBondContact SG-CB 3.45Å; C95-C143 CovalentContact SG-SG 2.06Å; C95-C143 PolarHBondContact SG-SG 3.33Å | ||
| 96 | L | 61.9 | Low | 60.1 | Low | 79 Ų | 79 | 95.3 Ų | 95.3 | 41% | 0.414 | 54% | 0.542 | S | S | . | . | trans | -67.4 | 114.2 | 164.1 | -78.2 | 165.4 | 0 | 0 | 0 | 107.3 | G98 I286 F288 | L96-G98 PolarHBondContact O-N 3.4Å; L96-I286 HydrophobicContact CD1-CD1 3.49Å; L96-I286 VanDerWaalsContact CD1-CD1 3.49Å; L96-I286 HydrophobicContact CD1-CG2 4.25Å; L96-I286 HydrophobicContact CD2-CD1 4.14Å; L96-I286 HydrophobicContact CG-CD1 3.64Å; L96-F288 HydrophobicContact CD1-CE1 4.38Å; L96-F288 HydrophobicContact CD1-CZ 3.66Å | ||
| 97 | P | 60.7 | Low | 62 | Low | 97 Ų | 97 | 86.6 Ų | 86.6 | 63% | 0.63 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 136.7 | 174.7 | -19.5 | 32.5 | 0 | 0 | 0 | 108.7 | C95 | C95-P97 WeakPolarHBondContact O-CD 3.31Š|
| 98 | G | 60.6 | Low | 63.5 | Low | 15 Ų | 15 | 90.4 Ų | 90.4 | 16% | 0.155 | 51% | 0.511 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 149.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | L96 A100 G146 | L96-G98 PolarHBondContact O-N 3.4Å; G98-A100 PolarHBondContact O-N 2.99Å; G98-G146 VanDerWaalsContact O-CA 3.25Å; G98-G146 WeakPolarHBondContact O-CA 3.25Å |
| 99 | L | 69.1 | Low | 65.1 | Low | 149 Ų | 149 | 90.8 Ų | 90.8 | 78% | 0.78 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -49.5 | 136.8 | 177.5 | -68.2 | 173.1 | 0 | 0 | 0 | 109.9 | G101 G271 | L99-G101 PolarHBondContact O-N 3.3Å; L99-G271 VanDerWaalsContact O-CA 3.31Å; L99-G271 WeakPolarHBondContact O-CA 3.31Å |
| 100 | A | 72.3 | Confident | 65.8 | Low | 67 Ų | 67 | 85.8 Ų | 85.8 | 55% | 0.554 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 141.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | G98 | G98-A100 PolarHBondContact O-N 2.99Š|
| 101 | G | 74.9 | Confident | 67 | Low | 6 Ų | 6 | 89.4 Ų | 89.4 | 6% | 0.062 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 161.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L99 E147 G149 P269 | L99-G101 PolarHBondContact O-N 3.3Å; G101-E147 PolarHBondContact N-O 3.08Å; G101-G149 WeakPolarHBondContact O-CA 3.06Å; G101-P269 WeakPolarHBondContact CA-O 2.99Å |
| 102 | P | 76.2 | Confident | 67.8 | Low | 86 Ų | 86 | 88.6 Ų | 88.6 | 56% | 0.558 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -56 | 149.4 | 173.8 | 24.8 | -33.3 | 0 | 0 | 0 | 110.4 | G268 P269 | P102-G268 WeakPolarHBondContact O-CA 3.04Å; P102-P269 HydrophobicContact CG-CG 4.11Å |
| 103 | P | 76.4 | Confident | 68.1 | Low | 87 Ų | 87 | 78.7 Ų | 78.7 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -52.4 | 148.6 | 177.2 | -25.1 | 33.1 | 0 | 0 | 0 | 111.9 | ||
| 104 | G | 79.1 | Confident | 68.2 | Low | 6 Ų | 6 | 83 Ų | 83 | 6% | 0.062 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 156 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P150 G152 P266 | G104-P150 PolarHBondContact N-O 3.09Å; G104-P150 VanDerWaalsContact N-O 3.09Å; G104-G152 WeakPolarHBondContact O-CA 2.78Å; G104-P266 WeakPolarHBondContact CA-O 3.02Å |
| 105 | I | 79.5 | Confident | 68.4 | Low | 139 Ų | 139 | 84.3 Ų | 84.3 | 71% | 0.713 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 140.1 | 172 | -49.7 | 167.5 | 0 | 0 | 0 | 107.7 | G265 | I105-G265 WeakPolarHBondContact O-CA 3.18Š|
| 106 | P | 76.3 | Confident | 68.1 | Low | 81 Ų | 81 | 84.6 Ų | 84.6 | 53% | 0.526 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -49.6 | 143.6 | 177.7 | -28.5 | 34.7 | 0 | 0 | 0 | 112.6 | P153 | P106-P153 WeakPolarHBondContact CA-O 3.02Å; P106-P153 HydrophobicContact CB-CG 4.34Å; P106-P153 HydrophobicContact CG-CG 4.14Å |
| 107 | G | 75.2 | Confident | 67.9 | Low | 7 Ų | 7 | 86.6 Ų | 86.6 | 7% | 0.072 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 153.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N109 P153 G155 P263 G265 | G107-N109 PolarHBondContact O-N 3.36Å; G107-P153 PolarHBondContact N-O 2.7Å; G107-P153 VanDerWaalsContact N-O 3.09Å; G107-G155 WeakPolarHBondContact O-CA 3.35Å; G107-P263 WeakPolarHBondContact CA-O 3.44Å; G107-G265 VanDerWaalsContact CA-CA 3.47Å |
| 108 | K | 73 | Confident | 67.5 | Low | 188 Ų | 188 | 87.4 Ų | 87.4 | 82% | 0.817 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 141.6 | 173.6 | -65.8 | -177.2 | 179.4 | -178.3 | 0 | 109.3 | ||
| 109 | N | 73.3 | Confident | 66.8 | Low | 101 Ų | 101 | 90.2 Ų | 90.2 | 54% | 0.54 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -51.5 | 145.6 | 179.1 | -68.8 | 5.8 | 0 | 0 | 0 | 111.2 | G107 E156 | G107-N109 PolarHBondContact O-N 3.36Å; N109-E156 PolarHBondContact OD1-N 3.09Å |
| 110 | G | 63.8 | Low | 65.7 | Low | 9 Ų | 9 | 89 Ų | 89 | 9% | 0.093 | 52% | 0.518 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 143.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | E156 G158 A260 | G110-E156 PolarHBondContact N-O 3.46Å; G110-G158 WeakPolarHBondContact O-CA 3.18Å; G110-A260 WeakPolarHBondContact CA-O 3.36Å |
| 111 | R | 67.6 | Low | 64.3 | Low | 225 Ų | 225 | 92.2 Ų | 92.2 | 85% | 0.849 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 142.8 | 173.2 | -78.4 | -175.8 | 179.1 | -168 | -1.1 | 109 | G259 | R111-G259 WeakPolarHBondContact O-CA 3.49Š|
| 112 | P | 64.7 | Low | 62.4 | Low | 96 Ų | 96 | 95 Ų | 95 | 62% | 0.623 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 144.1 | 174.8 | -26.7 | 33.9 | 0 | 0 | 0 | 111.7 | ||
| 113 | G | 56.8 | Low | 60.4 | Low | 9 Ų | 9 | 100.8 Ų | 100.8 | 9% | 0.093 | 58% | 0.579 | C | S | . | * | P | Polyproline II helix | trans | -55.3 | 145.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | N159 G161 S257 | G113-N159 PolarHBondContact N-O 3.38Å; G113-G161 WeakPolarHBondContact O-CA 3.44Å; G113-S257 WeakPolarHBondContact CA-O 3.15Å |
| 114 | R | 58.6 | Low | 58.6 | Low | 219 Ų | 219 | 102.8 Ų | 102.8 | 83% | 0.826 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 139.1 | 175.2 | -72.9 | -174 | 179.7 | -146.5 | 1.7 | 109.2 | ||
| 115 | P | 59.3 | Low | 56.7 | Low | 68 Ų | 68 | 105.8 Ų | 105.8 | 44% | 0.442 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -53.4 | 141.8 | 166.2 | -21.6 | 31.5 | 0 | 0 | 0 | 110.3 | V117 P162 | P115-V117 PolarHBondContact O-N 3.03Å; P115-P162 HydrophobicContact CG-CG 4.16Å |
| 116 | G | 50.2 | Low | 54.7 | Low | 42 Ų | 42 | 107.6 Ų | 107.6 | 43% | 0.433 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -54.5 | 132.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 117 | V | 58.9 | Low | 53.3 | Low | 121 Ų | 121 | 109 Ų | 109 | 73% | 0.733 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 131.1 | -170.8 | -150.4 | 0 | 0 | 0 | 0 | 110.3 | P115 | P115-V117 PolarHBondContact O-N 3.03Š|
| 118 | P | 51.5 | Low | 52.1 | Low | 114 Ų | 114 | 114 Ų | 114 | 74% | 0.74 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 140.4 | 166.5 | -23.5 | 34.5 | 0 | 0 | 0 | 111.7 | ||
| 119 | G | 46.6 | Very low | 51 | Low | 75 Ų | 75 | 111.3 Ų | 111.3 | 77% | 0.773 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 160.4 | -163.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 120 | P | 44.9 | Very low | 49.2 | Very low | 123 Ų | 123 | 115.1 Ų | 115.1 | 80% | 0.799 | 69% | 0.689 | S | S | * | * | trans | -121.4 | 167.9 | -153.5 | 40.3 | -26.4 | 0 | 0 | 0 | 115.6 | ||||
| 121 | P | 43 | Very low | 47.9 | Very low | 134 Ų | 134 | 121.9 Ų | 121.9 | 87% | 0.87 | 72% | 0.722 | S | S | * | * | trans | -113.1 | 131.6 | 146.4 | 3.5 | 17.6 | 0 | 0 | 0 | 111.9 | ||||
| 122 | G | 35 | Very low | 46.2 | Very low | 66 Ų | 66 | 116.1 Ų | 116.1 | 68% | 0.68 | 72% | 0.715 | S | S | * | * | trans | -92.3 | -164.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 123 | F | 34.1 | Very low | 45.5 | Very low | 207 Ų | 207 | 119.9 Ų | 119.9 | 91% | 0.908 | 73% | 0.728 | S | S | * | * | cis | -159.3 | 143.5 | -14.1 | -98.5 | -79.8 | 0 | 0 | 0 | 106.3 | ||||
| 124 | P | 39.2 | Very low | 44.3 | Very low | 128 Ų | 128 | 126 Ų | 126 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | trans | -115.8 | 156.4 | 164 | 24 | -6 | 0 | 0 | 0 | 113.5 | ||||
| 125 | G | 39.5 | Very low | 43.3 | Very low | 69 Ų | 69 | 124.4 Ų | 124.4 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | -93.5 | -173.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 126 | L | 38.1 | Very low | 41.9 | Very low | 177 Ų | 177 | 130.6 Ų | 130.6 | 93% | 0.927 | 78% | 0.779 | S | S | * | * | trans | 170.3 | 168.9 | 139.4 | -111.7 | 91.2 | 0 | 0 | 0 | 110.5 | ||||
| 127 | P | 46.1 | Very low | 42 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | trans | -113.5 | -150.2 | -151 | 51.4 | -41.9 | 0 | 0 | 0 | 112.6 | ||||
| 128 | P | 50.4 | Low | 41.3 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -107.6 | 163.1 | -131.7 | 26.7 | -3.1 | 0 | 0 | 0 | 114.1 | ||||
| 129 | P | 49.6 | Very low | 41 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -92.7 | 145.5 | 179.2 | 34.1 | -31.4 | 0 | 0 | 0 | 114.1 | ||||
| 130 | E | 36.3 | Very low | 40.7 | Very low | 180 Ų | 180 | 135.3 Ų | 135.3 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | trans | -89.5 | 147.8 | 179.2 | -74.6 | -179.8 | 139.3 | 0 | 0 | 114.7 | ||||
| 131 | I | 34.9 | Very low | 40.8 | Very low | 151 Ų | 151 | 137 Ų | 137 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | trans | 0.8 | 150.9 | 142.8 | -18.2 | 176.1 | 0 | 0 | 0 | 122.3 | ||||
| 132 | C | 32.1 | Very low | 41.5 | Very low | 105 Ų | 105 | 136.1 Ų | 136.1 | 71% | 0.709 | 78% | 0.782 | S | S | * | * | trans | 104.3 | 123.6 | 139.8 | -84.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 133 | I | 49.8 | Very low | 42.2 | Very low | 174 Ų | 174 | 134.2 Ų | 134.2 | 89% | 0.892 | 76% | 0.758 | S | S | * | * | trans | -149.8 | 130 | 139.8 | -35.2 | 172.4 | 0 | 0 | 0 | 110.8 | ||||
| 134 | I | 33.1 | Very low | 43.3 | Very low | 137 Ų | 137 | 128.8 Ų | 128.8 | 70% | 0.703 | 74% | 0.743 | S | S | * | * | trans | -100.3 | 158.7 | 175.6 | -65.3 | 165.3 | 0 | 0 | 0 | 109.1 | ||||
| 135 | Q | 36.3 | Very low | 44.3 | Very low | 186 Ų | 186 | 129.5 Ų | 129.5 | 87% | 0.869 | 73% | 0.73 | S | S | * | * | 158.8 | 141.6 | 127.5 | -73.3 | -94.2 | 64.3 | 0 | 0 | 114.5 | |||||
| 136 | K | 30.8 | Very low | 45.6 | Very low | 198 Ų | 198 | 126.3 Ų | 126.3 | 86% | 0.861 | 70% | 0.696 | S | S | * | * | trans | -82.3 | 170.4 | -173.5 | -109.8 | 177.3 | 174.3 | 171.7 | 0 | 114.5 | ||||
| 137 | P | 51.3 | Low | 47.3 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 71% | 0.714 | 69% | 0.687 | S | S | * | * | trans | -98.8 | 152.5 | -161.7 | 38.6 | -34.4 | 0 | 0 | 0 | 115.7 | ||||
| 138 | P | 45.3 | Very low | 48.5 | Very low | 93 Ų | 93 | 123.5 Ų | 123.5 | 60% | 0.604 | 68% | 0.675 | S | S | * | * | trans | -115.8 | 171.5 | 169 | 42.1 | -30.6 | 0 | 0 | 0 | 112.9 | ||||
| 139 | P | 43.7 | Very low | 49.7 | Very low | 108 Ų | 108 | 118.2 Ų | 118.2 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -79.6 | 168.9 | -150.8 | 33.3 | -35 | 0 | 0 | 0 | 115.5 | K141 | P139-K141 WeakPolarHBondContact O-CG 3.46Å; P139-K141 PolarHBondContact O-N 3.28Å; P139-K141 VanDerWaalsContact O-N 3.09Å |
| 140 | C | 41.7 | Very low | 50.9 | Low | 140 Ų | 140 | 115.6 Ų | 115.6 | 95% | 0.946 | 62% | 0.624 | S | S | * | * | trans | -41.5 | 103.4 | -166.4 | -53.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 141 | K | 47 | Very low | 52.9 | Low | 158 Ų | 158 | 110.7 Ų | 110.7 | 69% | 0.687 | 61% | 0.608 | S | S | * | * | trans | -97.8 | 146.9 | 179.4 | -79.5 | 170.5 | -172.2 | -177 | 0 | 110.2 | P139 | P139-K141 WeakPolarHBondContact O-CG 3.46Å; P139-K141 PolarHBondContact O-N 3.28Å; P139-K141 VanDerWaalsContact O-N 3.09Å | ||
| 142 | P | 57.2 | Low | 54.9 | Low | 117 Ų | 117 | 103.6 Ų | 103.6 | 76% | 0.76 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -44 | 143 | 173.2 | -26.3 | 32.4 | 0 | 0 | 0 | 111.3 | P144 | P142-P144 VanDerWaalsContact O-N 3.16Š|
| 143 | C | 49.7 | Very low | 57 | Low | 25 Ų | 25 | 102.1 Ų | 102.1 | 17% | 0.169 | 56% | 0.561 | C | S | . | * | trans | -38 | 121.6 | -176.2 | -96.4 | 0 | 0 | 0 | 0 | 110.4 | C95 R145 C276 | C95-C143 WeakPolarHBondContact CB-SG 3.46Å; C95-C143 WeakPolarHBondContact SG-CB 3.45Å; C95-C143 CovalentContact SG-SG 2.06Å; C95-C143 PolarHBondContact SG-SG 3.33Å; C143-R145 PolarHBondContact O-N 2.92Å; C143-C276 PolarHBondContact SG-SG 2.97Å | ||
| 144 | P | 56.4 | Low | 58.2 | Low | 93 Ų | 93 | 96.1 Ų | 96.1 | 60% | 0.604 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 137.6 | -175.7 | 22.7 | -31.3 | 0 | 0 | 0 | 108.5 | P142 G146 | P142-P144 VanDerWaalsContact O-N 3.16Å; P144-G146 PolarHBondContact O-N 3.33Å |
| 145 | R | 62.1 | Low | 60.2 | Low | 144 Ų | 144 | 89.8 Ų | 89.8 | 54% | 0.543 | 50% | 0.501 | S | S | . | . | B | Isolated β-bridge | trans | -53.8 | 139.5 | 167.8 | -171.1 | 176.9 | -89.6 | -177.3 | -4.9 | 107.6 | C143 G271 | C143-R145 PolarHBondContact O-N 2.92Å; R145-G271 WeakPolarHBondContact CD-O 3.46Å; R145-G271 WeakPolarHBondContact CG-O 3.35Å |
| 146 | G | 65.3 | Low | 62 | Low | 1 Ų | 1 | 87.8 Ų | 87.8 | 1% | 0.01 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -46.7 | 145.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | G98 P144 G271 E272 | G98-G146 VanDerWaalsContact O-CA 3.25Å; G98-G146 WeakPolarHBondContact O-CA 3.25Å; P144-G146 PolarHBondContact O-N 3.33Å; G146-G271 PolarHBondContact O-N 3.18Å; G146-E272 PolarHBondContact N-O 2.97Å |
| 147 | E | 73.3 | Confident | 64.1 | Low | 158 Ų | 158 | 83.3 Ų | 83.3 | 74% | 0.738 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -50 | 144.8 | -177.4 | -66.9 | -168.8 | 142.8 | 0 | 0 | 110.6 | G101 G149 | G101-E147 PolarHBondContact N-O 3.08Å; E147-G149 PolarHBondContact O-N 3.45Å |
| 148 | P | 72.9 | Confident | 64.7 | Low | 71 Ų | 71 | 78.4 Ų | 78.4 | 46% | 0.461 | 45% | 0.445 | S | S | . | . | B | Isolated β-bridge | trans | -47.3 | 132.9 | 170.6 | -25.8 | 34.6 | 0 | 0 | 0 | 110.1 | P267 | P148-P267 HydrophobicContact CB-CB 4.09Å |
| 149 | G | 74.9 | Confident | 65.8 | Low | 1 Ų | 1 | 80.5 Ų | 80.5 | 1% | 0.01 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -52.4 | 150.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | G101 E147 G268 | G101-G149 WeakPolarHBondContact O-CA 3.06Å; E147-G149 PolarHBondContact O-N 3.45Å; G149-G268 PolarHBondContact O-N 3.09Å |
| 150 | P | 75.9 | Confident | 67.2 | Low | 78 Ų | 78 | 78.2 Ų | 78.2 | 51% | 0.506 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 150.9 | -178.6 | 23.4 | -33.6 | 0 | 0 | 0 | 111 | G104 G152 | G104-P150 PolarHBondContact N-O 3.09Å; G104-P150 VanDerWaalsContact N-O 3.09Å; P150-G152 PolarHBondContact O-N 3.22Å |
| 151 | P | 77.1 | Confident | 68.1 | Low | 77 Ų | 77 | 71.8 Ų | 71.8 | 50% | 0.5 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -47.8 | 136.6 | 174.4 | -27.9 | 35.1 | 0 | 0 | 0 | 111.3 | P264 G265 | P151-P264 HydrophobicContact CB-CB 4.15Å; P151-G265 WeakPolarHBondContact CB-O 3.09Å |
| 152 | G | 77 | Confident | 68.8 | Low | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.01 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 151.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | G104 P150 G265 | G104-G152 WeakPolarHBondContact O-CA 2.78Å; P150-G152 PolarHBondContact O-N 3.22Å; G152-G265 PolarHBondContact O-N 3.21Å |
| 153 | P | 75.4 | Confident | 69.3 | Low | 75 Ų | 75 | 66.8 Ų | 66.8 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 147.9 | 179.1 | 24.3 | -33.4 | 0 | 0 | 0 | 110.4 | P106 G107 | P106-P153 WeakPolarHBondContact CA-O 3.02Å; P106-P153 HydrophobicContact CB-CG 4.34Å; P106-P153 HydrophobicContact CG-CG 4.14Å; G107-P153 PolarHBondContact N-O 2.7Å; G107-P153 VanDerWaalsContact N-O 3.09Å |
| 154 | P | 76.7 | Confident | 69.8 | Low | 48 Ų | 48 | 66.4 Ų | 66.4 | 31% | 0.312 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 142.5 | -180 | -1.2 | 9.2 | 0 | 0 | 0 | 110.5 | K261 G262 P264 | P154-K261 HydrophobicContact CB-CD 3.78Å; P154-K261 HydrophobicContact CB-CG 4.03Å; P154-K261 HydrophobicContact CG-CD 4.06Å; P154-K261 WeakPolarHBondContact O-CE 3.37Å; P154-G262 WeakPolarHBondContact CB-O 3.03Å; P154-P264 HydrophobicContact CB-CG 4.47Å; P154-P264 HydrophobicContact CG-CG 4.37Å |
| 155 | G | 74.2 | Confident | 70 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 3% | 0.031 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 163.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | G107 K261 G262 | G107-G155 WeakPolarHBondContact O-CA 3.35Å; G155-K261 WeakPolarHBondContact O-CE 3.23Å; G155-K261 WeakPolarHBondContact O-CG 3.43Å; G155-G262 PolarHBondContact O-N 3.14Å |
| 156 | E | 74.7 | Confident | 70.1 | Confident | 145 Ų | 145 | 67.4 Ų | 67.4 | 68% | 0.678 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 156.1 | -177.7 | -64.8 | -170.2 | 147.5 | 0 | 0 | 112.3 | N109 G110 G158 | N109-E156 PolarHBondContact OD1-N 3.09Å; G110-E156 PolarHBondContact N-O 3.46Å; E156-G158 PolarHBondContact O-N 2.85Å |
| 157 | I | 74 | Confident | 69.9 | Low | 104 Ų | 104 | 70 Ų | 70 | 53% | 0.533 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 131.1 | 176.5 | -66.5 | 175.6 | 0 | 0 | 0 | 108.1 | P258 G259 K261 | I157-P258 HydrophobicContact CG2-CB 3.38Å; I157-G259 VanDerWaalsContact CG2-O 3.23Å; I157-G259 WeakPolarHBondContact CG2-O 3.1Å; I157-K261 HydrophobicContact CG1-CB 4.43Å; I157-K261 HydrophobicContact CG1-CG 4.49Å |
| 158 | G | 65.4 | Low | 69.3 | Low | 6 Ų | 6 | 68.3 Ų | 68.3 | 6% | 0.062 | 43% | 0.426 | C | S | . | . | B | Isolated β-bridge | trans | -67.2 | 143 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G110 E156 G259 | G110-G158 WeakPolarHBondContact O-CA 3.18Å; E156-G158 PolarHBondContact O-N 2.85Å; G158-G259 PolarHBondContact N-O 3.07Å; G158-G259 PolarHBondContact O-N 3.4Å |
| 159 | N | 68.1 | Low | 68.9 | Low | 138 Ų | 138 | 71 Ų | 71 | 74% | 0.738 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 151 | 178 | -68.7 | -30.8 | 0 | 0 | 0 | 112.2 | G113 | G113-N159 PolarHBondContact N-O 3.38Š|
| 160 | A | 72.1 | Confident | 68.2 | Low | 59 Ų | 59 | 74.2 Ų | 74.2 | 49% | 0.488 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 140.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G256 | A160-G256 WeakPolarHBondContact CA-O 3.49Å; A160-G256 WeakPolarHBondContact CB-O 3.47Å |
| 161 | G | 59.9 | Low | 67.2 | Low | 5 Ų | 5 | 80.3 Ų | 80.3 | 5% | 0.052 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 152.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G113 G256 | G113-G161 WeakPolarHBondContact O-CA 3.44Å; G161-G256 PolarHBondContact O-N 3.04Å |
| 162 | P | 62.7 | Low | 66.3 | Low | 89 Ų | 89 | 84.2 Ų | 84.2 | 58% | 0.578 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 153.8 | 179.1 | 26 | -34.9 | 0 | 0 | 0 | 112.3 | P115 | P115-P162 HydrophobicContact CG-CG 4.16Š|
| 163 | P | 66.9 | Low | 65.2 | Low | 81 Ų | 81 | 87.6 Ų | 87.6 | 53% | 0.526 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 145.9 | 178.1 | -26.2 | 34.7 | 0 | 0 | 0 | 113.4 | ||
| 164 | G | 61 | Low | 63.9 | Low | 17 Ų | 17 | 92.5 Ų | 92.5 | 18% | 0.175 | 57% | 0.568 | C | S | . | * | P | Polyproline II helix | trans | -67.3 | 152.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 165 | P | 60.2 | Low | 62.9 | Low | 123 Ų | 123 | 98 Ų | 98 | 80% | 0.799 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -67 | 155.9 | 178.3 | 28.4 | -34.3 | 0 | 0 | 0 | 112.4 | ||
| 166 | H | 63.7 | Low | 61.8 | Low | 135 Ų | 135 | 101 Ų | 101 | 63% | 0.625 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 144.7 | -179.2 | -77.4 | 85.1 | 0 | 0 | 0 | 112.8 | V249 | H166-V249 WeakPolarHBondContact CD2-CG1 3.11Å; H166-V249 WeakPolarHBondContact NE2-CG1 3.43Å |
| 167 | G | 62.5 | Low | 60.8 | Low | 57 Ų | 57 | 100.5 Ų | 100.5 | 59% | 0.588 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 155.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 168 | P | 60.9 | Low | 60.1 | Low | 122 Ų | 122 | 102.7 Ų | 102.7 | 79% | 0.792 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 155.2 | -177.1 | 28.4 | -34.5 | 0 | 0 | 0 | 112.9 | ||
| 169 | P | 63 | Low | 59.7 | Low | 128 Ų | 128 | 105.1 Ų | 105.1 | 83% | 0.831 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 150 | 177.5 | -23.9 | 34.2 | 0 | 0 | 0 | 114.1 | ||
| 170 | G | 60.1 | Low | 59.1 | Low | 68 Ų | 68 | 105 Ų | 105 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 151.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 171 | K | 54.5 | Low | 58.6 | Low | 205 Ų | 205 | 111.4 Ų | 111.4 | 89% | 0.891 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 146.6 | -178.9 | 61.2 | -179.1 | 108.2 | 175 | 0 | 112.4 | ||
| 172 | D | 59 | Low | 58.3 | Low | 159 Ų | 159 | 114 Ų | 114 | 85% | 0.85 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -61 | 147.2 | -178.4 | -62.9 | -39.3 | 0 | 0 | 0 | 113.2 | ||
| 173 | G | 53.7 | Low | 58.1 | Low | 72 Ų | 72 | 119.4 Ų | 119.4 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 151.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 174 | L | 48.8 | Very low | 57.8 | Low | 178 Ų | 178 | 121.7 Ų | 121.7 | 93% | 0.932 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 145.2 | -178.8 | -65.6 | 170.8 | 0 | 0 | 0 | 112.3 | ||
| 175 | N | 54.4 | Low | 57.6 | Low | 164 Ų | 164 | 124 Ų | 124 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 143.3 | 179.6 | -67 | -18.8 | 0 | 0 | 0 | 112.3 | ||
| 176 | G | 53 | Low | 57.5 | Low | 67 Ų | 67 | 124 Ų | 124 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 161.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 177 | P | 51.8 | Low | 57.4 | Low | 134 Ų | 134 | 123.8 Ų | 123.8 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 154.1 | -175.3 | 28.8 | -34.6 | 0 | 0 | 0 | 113.8 | ||
| 178 | V | 60.5 | Low | 57.2 | Low | 149 Ų | 149 | 124.1 Ų | 124.1 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 139.5 | -179 | -178.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 179 | G | 57.5 | Low | 57.2 | Low | 57 Ų | 57 | 124.8 Ų | 124.8 | 59% | 0.588 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 161.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 180 | P | 54.5 | Low | 57.1 | Low | 135 Ų | 135 | 128.1 Ų | 128.1 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 157.5 | -174.1 | 30.4 | -35.1 | 0 | 0 | 0 | 114.3 | ||
| 181 | E | 61.4 | Low | 57.1 | Low | 194 Ų | 194 | 127.2 Ų | 127.2 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 146.3 | -177 | -167.3 | 177.8 | 171.1 | 0 | 0 | 113.7 | ||
| 182 | G | 55.2 | Low | 57.4 | Low | 60 Ų | 60 | 123.2 Ų | 123.2 | 62% | 0.619 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 155.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 183 | K | 56.7 | Low | 57.5 | Low | 203 Ų | 203 | 121.7 Ų | 121.7 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -78 | 150.7 | -176.3 | -65.9 | -176.7 | -179.2 | -179.7 | 0 | 113.2 | ||
| 184 | P | 61.6 | Low | 57.8 | Low | 128 Ų | 128 | 121.3 Ų | 121.3 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 148.6 | 176.6 | -23.8 | 34.2 | 0 | 0 | 0 | 114.3 | ||
| 185 | G | 56.4 | Low | 58.2 | Low | 67 Ų | 67 | 121.3 Ų | 121.3 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -75 | 163.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 186 | P | 58 | Low | 58.4 | Low | 123 Ų | 123 | 121.9 Ų | 121.9 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 159.3 | -174.1 | 29.8 | -35 | 0 | 0 | 0 | 114.1 | ||
| 187 | P | 61.6 | Low | 58.7 | Low | 130 Ų | 130 | 121.1 Ų | 121.1 | 84% | 0.844 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 147.2 | 178.6 | -22.1 | 33.6 | 0 | 0 | 0 | 114.1 | ||
| 188 | G | 58.8 | Low | 58.8 | Low | 64 Ų | 64 | 120.5 Ų | 120.5 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -70 | 161.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 189 | P | 60 | Low | 58.6 | Low | 135 Ų | 135 | 117.4 Ų | 117.4 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 156.1 | -175.6 | 29.1 | -34.5 | 0 | 0 | 0 | 113.8 | ||
| 190 | R | 61 | Low | 58.5 | Low | 199 Ų | 199 | 117.5 Ų | 117.5 | 75% | 0.751 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 136 | -179.4 | 178.2 | 173.4 | 166.2 | -170 | -12.1 | 111.9 | ||
| 191 | G | 60.3 | Low | 58.3 | Low | 49 Ų | 49 | 116.7 Ų | 116.7 | 51% | 0.505 | 75% | 0.754 | S | S | . | * | P | Polyproline II helix | trans | -66 | 160.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 192 | P | 62 | Low | 58 | Low | 121 Ų | 121 | 112.8 Ų | 112.8 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 160.8 | -172.9 | 29 | -35 | 0 | 0 | 0 | 114.1 | ||
| 193 | P | 61.5 | Low | 57.9 | Low | 127 Ų | 127 | 112.7 Ų | 112.7 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 146.8 | 176.5 | -20.7 | 33.1 | 0 | 0 | 0 | 113.4 | ||
| 194 | G | 59.1 | Low | 57.9 | Low | 64 Ų | 64 | 108.8 Ų | 108.8 | 66% | 0.66 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 157.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 195 | L | 57.5 | Low | 57.5 | Low | 177 Ų | 177 | 110.6 Ų | 110.6 | 93% | 0.927 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 147.2 | -177.7 | -65.4 | 171.7 | 0 | 0 | 0 | 112.3 | ||
| 196 | K | 59.2 | Low | 57.3 | Low | 176 Ų | 176 | 113.5 Ų | 113.5 | 77% | 0.765 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 134.6 | 180 | -171.8 | 176.6 | -178.7 | 178.4 | 0 | 110.9 | ||
| 197 | G | 57.4 | Low | 57.3 | Low | 51 Ų | 51 | 113.2 Ų | 113.2 | 53% | 0.526 | 73% | 0.733 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 145.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 198 | S | 54.3 | Low | 57.1 | Low | 121 Ų | 121 | 110.4 Ų | 110.4 | 85% | 0.846 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 140.6 | 177.9 | 46.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 199 | A | 55.8 | Low | 57 | Low | 84 Ų | 84 | 113.4 Ų | 113.4 | 69% | 0.694 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 140.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 200 | G | 55.7 | Low | 57 | Low | 59 Ų | 59 | 112 Ų | 112 | 61% | 0.608 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 144.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 201 | S | 51 | Low | 56.9 | Low | 118 Ų | 118 | 104.8 Ų | 104.8 | 83% | 0.825 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 131.5 | -179.4 | -42.1 | 0 | 0 | 0 | 0 | 111.5 | A203 | S201-A203 PolarHBondContact O-N 3.43Š|
| 202 | P | 54.6 | Low | 56.7 | Low | 112 Ų | 112 | 109.6 Ų | 109.6 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 128.1 | -176.1 | 25.5 | -32.1 | 0 | 0 | 0 | 112 | ||
| 203 | A | 53.3 | Low | 56.5 | Low | 59 Ų | 59 | 109.1 Ų | 109.1 | 49% | 0.488 | 72% | 0.716 | S | S | . | * | P | Polyproline II helix | trans | -88.1 | 144.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | S201 N205 | S201-A203 PolarHBondContact O-N 3.43Å; A203-N205 PolarHBondContact O-N 3.32Å |
| 204 | P | 56.1 | Low | 56.4 | Low | 120 Ų | 120 | 105.2 Ų | 105.2 | 78% | 0.779 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 121.8 | -174.8 | 3.2 | 7.6 | 0 | 0 | 0 | 109.7 | ||
| 205 | N | 54.9 | Low | 56.2 | Low | 166 Ų | 166 | 108.4 Ų | 108.4 | 89% | 0.888 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86.4 | 21.6 | 175.2 | -52.5 | -27.6 | 0 | 0 | 0 | 118.6 | A203 | A203-N205 PolarHBondContact O-N 3.32Š|
| 206 | I | 52.2 | Low | 56.3 | Low | 129 Ų | 129 | 108.8 Ų | 108.8 | 66% | 0.662 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -133.9 | 126.7 | 164.9 | -32.8 | 173.5 | 0 | 0 | 0 | 109.9 | A208 | I206-A208 PolarHBondContact O-N 3.48Š|
| 207 | P | 56.8 | Low | 56.3 | Low | 116 Ų | 116 | 102.2 Ų | 102.2 | 75% | 0.753 | 68% | 0.679 | S | S | * | * | trans | -59.2 | 129.4 | 177.9 | -22.6 | 32.7 | 0 | 0 | 0 | 111.7 | V209 | P207-V209 PolarHBondContact O-N 3.09Å; P207-V209 VanDerWaalsContact O-N 3.15Å | ||
| 208 | A | 58.2 | Low | 56.3 | Low | 71 Ų | 71 | 105.4 Ų | 105.4 | 59% | 0.587 | 69% | 0.69 | S | S | * | * | trans | -64.9 | 111.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | I206 | I206-A208 PolarHBondContact O-N 3.48Š| ||
| 209 | V | 55.7 | Low | 56.6 | Low | 128 Ų | 128 | 105.3 Ų | 105.3 | 78% | 0.776 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 130.1 | 172.8 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | P207 G211 | P207-V209 PolarHBondContact O-N 3.09Å; P207-V209 VanDerWaalsContact O-N 3.15Å; V209-G211 PolarHBondContact O-N 2.84Å |
| 210 | P | 60.9 | Low | 56.7 | Low | 104 Ų | 104 | 103.9 Ų | 103.9 | 68% | 0.675 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 126.4 | 174.4 | -24.5 | 34 | 0 | 0 | 0 | 110.9 | ||
| 211 | G | 58 | Low | 56.7 | Low | 48 Ų | 48 | 106.8 Ų | 106.8 | 50% | 0.495 | 69% | 0.689 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 141.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V209 | V209-G211 PolarHBondContact O-N 2.84Š|
| 212 | D | 55.9 | Low | 57.1 | Low | 151 Ų | 151 | 107.3 Ų | 107.3 | 81% | 0.807 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 149.9 | 177 | -76 | -49.5 | 0 | 0 | 0 | 111.8 | G214 | D212-G214 PolarHBondContact O-N 2.75Š|
| 213 | P | 59.5 | Low | 57.2 | Low | 111 Ų | 111 | 104.8 Ų | 104.8 | 72% | 0.721 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 124.8 | 173 | -24.5 | 33.6 | 0 | 0 | 0 | 110.8 | ||
| 214 | G | 59.3 | Low | 57.2 | Low | 45 Ų | 45 | 107.7 Ų | 107.7 | 46% | 0.464 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 153 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D212 | D212-G214 PolarHBondContact O-N 2.75Š|
| 215 | P | 54.4 | Low | 57.4 | Low | 130 Ų | 130 | 108.1 Ų | 108.1 | 84% | 0.844 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 145.2 | -179.5 | 23.6 | -32.8 | 0 | 0 | 0 | 111 | G217 | P215-G217 PolarHBondContact O-N 2.82Å; P215-G217 VanDerWaalsContact O-N 3.14Å |
| 216 | R | 59.3 | Low | 57.3 | Low | 186 Ų | 186 | 103.6 Ų | 103.6 | 70% | 0.702 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 121.5 | 176.5 | 173.8 | 175.4 | 167.4 | -170 | -10.3 | 109.4 | ||
| 217 | G | 58.2 | Low | 57.2 | Low | 38 Ų | 38 | 106.3 Ų | 106.3 | 39% | 0.392 | 70% | 0.702 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 152.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P215 | P215-G217 PolarHBondContact O-N 2.82Å; P215-G217 VanDerWaalsContact O-N 3.14Å |
| 218 | P | 57.8 | Low | 57.2 | Low | 118 Ų | 118 | 106.6 Ų | 106.6 | 77% | 0.766 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 154.4 | 179.3 | 24.3 | -33.2 | 0 | 0 | 0 | 111.1 | G220 | P218-G220 PolarHBondContact O-N 3.39Š|
| 219 | P | 60.3 | Low | 56.9 | Low | 118 Ų | 118 | 106.5 Ų | 106.5 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 131.9 | 170.9 | -24.2 | 33.6 | 0 | 0 | 0 | 110.1 | ||
| 220 | G | 58 | Low | 56.5 | Low | 54 Ų | 54 | 111.3 Ų | 111.3 | 56% | 0.557 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 154.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | P218 | P218-G220 PolarHBondContact O-N 3.39Š|
| 221 | P | 55.9 | Low | 56.3 | Low | 121 Ų | 121 | 112.4 Ų | 112.4 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 151.7 | 177.4 | 24.3 | -33.3 | 0 | 0 | 0 | 110.5 | G223 | P221-G223 PolarHBondContact O-N 3.09Š|
| 222 | P | 60.1 | Low | 56.1 | Low | 129 Ų | 129 | 112.9 Ų | 112.9 | 84% | 0.838 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 132.2 | 172.3 | -25.9 | 34 | 0 | 0 | 0 | 110 | ||
| 223 | G | 56.9 | Low | 55.6 | Low | 59 Ų | 59 | 110.3 Ų | 110.3 | 61% | 0.608 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 151.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | P221 | P221-G223 PolarHBondContact O-N 3.09Š|
| 224 | P | 53.2 | Low | 55.3 | Low | 120 Ų | 120 | 112.6 Ų | 112.6 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 150.6 | 176 | 24.3 | -33.2 | 0 | 0 | 0 | 110.2 | G226 | P224-G226 PolarHBondContact O-N 3.05Š|
| 225 | P | 59.5 | Low | 55 | Low | 129 Ų | 129 | 113.6 Ų | 113.6 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 132.2 | 173.8 | -26.1 | 33.6 | 0 | 0 | 0 | 109.9 | Q227 | P225-Q227 PolarHBondContact O-N 3.38Š|
| 226 | G | 53.2 | Low | 54.5 | Low | 71 Ų | 71 | 115.7 Ų | 115.7 | 73% | 0.732 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -52 | 140.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | P224 | P224-G226 PolarHBondContact O-N 3.05Š|
| 227 | Q | 49.5 | Very low | 54.4 | Low | 185 Ų | 185 | 112.8 Ų | 112.8 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 143.6 | 173.7 | -71 | -178.5 | 27.9 | 0 | 0 | 109 | P225 G229 | P225-Q227 PolarHBondContact O-N 3.38Å; Q227-G229 PolarHBondContact O-N 3.48Å |
| 228 | P | 58.4 | Low | 54.2 | Low | 122 Ų | 122 | 114.3 Ų | 114.3 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | trans | -44.7 | 130.8 | 172.9 | -27.6 | 34.2 | 0 | 0 | 0 | 109.3 | R230 | P228-R230 PolarHBondContact O-N 3.21Š| ||
| 229 | G | 51.5 | Low | 53.7 | Low | 69 Ų | 69 | 113.4 Ų | 113.4 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | -50 | 135 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q227 | Q227-G229 PolarHBondContact O-N 3.48Š| ||
| 230 | R | 47 | Very low | 53.2 | Low | 230 Ų | 230 | 116.4 Ų | 116.4 | 87% | 0.868 | 77% | 0.77 | S | S | * | * | trans | -50.9 | 140.1 | 171.5 | -72.1 | -175.7 | 176 | 178.5 | -1.5 | 107.4 | P228 G232 | P228-R230 PolarHBondContact O-N 3.21Å; R230-G232 PolarHBondContact O-N 2.86Å; R230-G232 VanDerWaalsContact O-N 3.11Å | ||
| 231 | P | 56.9 | Low | 52.9 | Low | 126 Ų | 126 | 116.2 Ų | 116.2 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -42.9 | 127.5 | 172 | -27.8 | 34.1 | 0 | 0 | 0 | 108.2 | A233 | P231-A233 PolarHBondContact O-N 3.05Š| ||
| 232 | G | 52.7 | Low | 52.5 | Low | 58 Ų | 58 | 116.1 Ų | 116.1 | 60% | 0.598 | 77% | 0.768 | S | S | * | * | trans | -49.1 | 132.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | R230 D234 | R230-G232 PolarHBondContact O-N 2.86Å; R230-G232 VanDerWaalsContact O-N 3.11Å; G232-D234 PolarHBondContact O-N 3.04Å | ||
| 233 | A | 47 | Very low | 52.1 | Low | 97 Ų | 97 | 115.6 Ų | 115.6 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | -48.7 | 132.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | P231 G235 | P231-A233 PolarHBondContact O-N 3.05Å; A233-G235 PolarHBondContact O-N 2.91Å | ||
| 234 | D | 53.3 | Low | 51.7 | Low | 159 Ų | 159 | 115.7 Ų | 115.7 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | -40.9 | 118.3 | -179.4 | -68.1 | -39.3 | 0 | 0 | 0 | 107.8 | G232 M236 | G232-D234 PolarHBondContact O-N 3.04Å; D234-M236 PolarHBondContact O-N 3.35Å; D234-M236 VanDerWaalsContact O-N 3.08Å | ||
| 235 | G | 51 | Low | 51.3 | Low | 66 Ų | 66 | 116.1 Ų | 116.1 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | trans | -50.1 | 126.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 107 | A233 P237 | A233-G235 PolarHBondContact O-N 2.91Å; G235-P237 VanDerWaalsContact O-N 3.14Å | ||
| 236 | M | 44.3 | Very low | 50.7 | Low | 175 Ų | 175 | 117.8 Ų | 117.8 | 86% | 0.862 | 77% | 0.767 | S | S | * | * | trans | -45.4 | 130.2 | 178.9 | -72.8 | -170.8 | 72.2 | 0 | 0 | 107.3 | D234 G238 | D234-M236 PolarHBondContact O-N 3.35Å; D234-M236 VanDerWaalsContact O-N 3.08Å; M236-G238 PolarHBondContact O-N 3.45Å | ||
| 237 | P | 57.1 | Low | 50.6 | Low | 125 Ų | 125 | 116.5 Ų | 116.5 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | trans | -44.2 | 120.9 | -179.4 | -29.2 | 33.7 | 0 | 0 | 0 | 108.2 | G235 A239 | G235-P237 VanDerWaalsContact O-N 3.14Å; P237-A239 PolarHBondContact O-N 3.41Å | ||
| 238 | G | 53.7 | Low | 50.6 | Low | 70 Ų | 70 | 113.8 Ų | 113.8 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | trans | -49 | 131.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | M236 Q240 | M236-G238 PolarHBondContact O-N 3.45Å; G238-Q240 PolarHBondContact O-N 3.37Å; G238-Q240 VanDerWaalsContact O-N 3.09Å | ||
| 239 | A | 47.3 | Very low | 50.3 | Low | 98 Ų | 98 | 112.2 Ų | 112.2 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | trans | -46.1 | 127.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | P237 G241 | P237-A239 PolarHBondContact O-N 3.41Å; A239-G241 PolarHBondContact O-N 2.91Å | ||
| 240 | Q | 51.1 | Low | 50.5 | Low | 181 Ų | 181 | 110.7 Ų | 110.7 | 85% | 0.846 | 72% | 0.724 | S | S | * | * | trans | -45.6 | 117.7 | -180 | -178.5 | 178.5 | 32 | 0 | 0 | 107.2 | G238 | G238-Q240 PolarHBondContact O-N 3.37Å; G238-Q240 VanDerWaalsContact O-N 3.09Å | ||
| 241 | G | 50.5 | Low | 50.8 | Low | 51 Ų | 51 | 105.3 Ų | 105.3 | 53% | 0.526 | 72% | 0.719 | S | S | . | * | trans | -52.4 | 139.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | A239 | A239-G241 PolarHBondContact O-N 2.91Š| ||
| 242 | P | 47.4 | Very low | 50.8 | Low | 119 Ų | 119 | 104.2 Ų | 104.2 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | trans | -50.7 | 141 | 179.8 | 22.3 | -32.7 | 0 | 0 | 0 | 108.7 | G244 | P242-G244 PolarHBondContact O-N 3.26Å; P242-G244 VanDerWaalsContact O-N 3.14Å | ||
| 243 | P | 52.6 | Low | 51 | Low | 117 Ų | 117 | 103 Ų | 103 | 76% | 0.76 | 70% | 0.7 | S | S | * | * | trans | -44.6 | 128.4 | 176.2 | -28.2 | 34 | 0 | 0 | 0 | 109.1 | ||||
| 244 | G | 48.1 | Very low | 51.3 | Low | 62 Ų | 62 | 101.3 Ų | 101.3 | 64% | 0.639 | 69% | 0.691 | S | S | * | * | trans | -51 | 142.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | P242 M246 | P242-G244 PolarHBondContact O-N 3.26Å; P242-G244 VanDerWaalsContact O-N 3.14Å; G244-M246 PolarHBondContact O-N 3.31Å | ||
| 245 | P | 45.6 | Very low | 51.7 | Low | 129 Ų | 129 | 100 Ų | 100 | 84% | 0.838 | 69% | 0.685 | S | S | * | * | trans | -51.6 | 135.2 | -179.7 | 22.4 | -32.6 | 0 | 0 | 0 | 108.6 | G247 | P245-G247 PolarHBondContact O-N 3.33Š| ||
| 246 | M | 47.2 | Very low | 51.9 | Low | 164 Ų | 164 | 97.1 Ų | 97.1 | 81% | 0.808 | 66% | 0.655 | S | S | * | * | trans | -45.6 | 120.4 | 175 | -178 | 177.7 | 72 | 0 | 0 | 107.6 | G244 V249 | G244-M246 PolarHBondContact O-N 3.31Å; M246-V249 HydrophobicContact CE-CG2 4.26Å | ||
| 247 | G | 49.6 | Very low | 52.9 | Low | 44 Ų | 44 | 93.4 Ų | 93.4 | 45% | 0.454 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -51.5 | 141.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | P245 V249 | P245-G247 PolarHBondContact O-N 3.33Å; G247-V249 PolarHBondContact O-N 3.49Å |
| 248 | P | 50.4 | Low | 53.3 | Low | 127 Ų | 127 | 91.8 Ų | 91.8 | 83% | 0.825 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 135.8 | -177.4 | 22.1 | -32.7 | 0 | 0 | 0 | 109.1 | G250 | P248-G250 PolarHBondContact O-N 3.24Š|
| 249 | V | 52.4 | Low | 53.7 | Low | 89 Ų | 89 | 88.8 Ų | 88.8 | 54% | 0.539 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -48.8 | 119.5 | 173.1 | 179.8 | 0 | 0 | 0 | 0 | 106.8 | H166 M246 G247 | H166-V249 WeakPolarHBondContact CD2-CG1 3.11Å; H166-V249 WeakPolarHBondContact NE2-CG1 3.43Å; M246-V249 HydrophobicContact CE-CG2 4.26Å; G247-V249 PolarHBondContact O-N 3.49Å |
| 250 | G | 54.5 | Low | 54.9 | Low | 37 Ų | 37 | 88.2 Ų | 88.2 | 38% | 0.381 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -52.3 | 140.5 | 178 | 0 | 0 | 0 | 0 | 0 | 109 | P248 | P248-G250 PolarHBondContact O-N 3.24Š|
| 251 | P | 54.3 | Low | 55.9 | Low | 118 Ų | 118 | 85.4 Ų | 85.4 | 77% | 0.766 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 145.2 | -178 | 22.9 | -33 | 0 | 0 | 0 | 109.7 | G253 | P251-G253 PolarHBondContact O-N 3.26Š|
| 252 | P | 56.8 | Low | 56.9 | Low | 103 Ų | 103 | 83.1 Ų | 83.1 | 67% | 0.669 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 132.9 | 173.5 | -27.2 | 34.2 | 0 | 0 | 0 | 109.7 | G254 | P252-G254 PolarHBondContact O-N 3.3Š|
| 253 | G | 57.2 | Low | 58.3 | Low | 33 Ų | 33 | 82 Ų | 82 | 34% | 0.34 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -52.9 | 131.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | P251 | P251-G253 PolarHBondContact O-N 3.26Š|
| 254 | G | 52.8 | Low | 59.5 | Low | 60 Ų | 60 | 80.2 Ų | 80.2 | 62% | 0.619 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 150.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P252 G256 | P252-G254 PolarHBondContact O-N 3.3Å; G254-G256 PolarHBondContact O-N 3.27Å |
| 255 | D | 61.4 | Low | 60.9 | Low | 133 Ų | 133 | 77.5 Ų | 77.5 | 71% | 0.711 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -49.1 | 132.3 | 176.6 | -68.2 | -30.7 | 0 | 0 | 0 | 109.9 | S257 | D255-S257 PolarHBondContact O-N 3.41Š|
| 256 | G | 56.4 | Low | 62.5 | Low | 5 Ų | 5 | 75.7 Ų | 75.7 | 5% | 0.052 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 131.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | A160 G161 G254 | A160-G256 WeakPolarHBondContact CA-O 3.49Å; A160-G256 WeakPolarHBondContact CB-O 3.47Å; G161-G256 PolarHBondContact O-N 3.04Å; G254-G256 PolarHBondContact O-N 3.27Å |
| 257 | S | 63.5 | Low | 64 | Low | 96 Ų | 96 | 71.8 Ų | 71.8 | 67% | 0.671 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -49.5 | 140.2 | 178.9 | -35.3 | 0 | 0 | 0 | 0 | 110.3 | G113 D255 G259 | G113-S257 WeakPolarHBondContact CA-O 3.15Å; D255-S257 PolarHBondContact O-N 3.41Å; S257-G259 PolarHBondContact O-N 3.24Å |
| 258 | P | 66.5 | Low | 65.3 | Low | 92 Ų | 92 | 70 Ų | 70 | 60% | 0.597 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 136.1 | 174.6 | -25.3 | 32.8 | 0 | 0 | 0 | 110.8 | I157 | I157-P258 HydrophobicContact CG2-CB 3.38Š|
| 259 | G | 62.3 | Low | 66.5 | Low | 7 Ų | 7 | 68.1 Ų | 68.1 | 7% | 0.072 | 46% | 0.459 | C | S | . | . | B | Isolated β-bridge | trans | -60.7 | 143.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | R111 I157 G158 S257 K261 | R111-G259 WeakPolarHBondContact O-CA 3.49Å; I157-G259 VanDerWaalsContact CG2-O 3.23Å; I157-G259 WeakPolarHBondContact CG2-O 3.1Å; G158-G259 PolarHBondContact N-O 3.07Å; G158-G259 PolarHBondContact O-N 3.4Å; S257-G259 PolarHBondContact O-N 3.24Å; G259-K261 PolarHBondContact O-N 3.02Å |
| 260 | A | 71.5 | Confident | 67.5 | Low | 86 Ų | 86 | 66.6 Ų | 66.6 | 71% | 0.711 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 144.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.1 | G110 G262 | G110-A260 WeakPolarHBondContact CA-O 3.36Å; A260-G262 PolarHBondContact O-N 2.94Å |
| 261 | K | 73.1 | Confident | 68.1 | Low | 121 Ų | 121 | 65.2 Ų | 65.2 | 53% | 0.526 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -51.1 | 135.1 | 177.4 | -161.8 | 178.1 | -176.1 | -176.5 | 0 | 109.6 | P154 G155 I157 G259 | P154-K261 HydrophobicContact CB-CD 3.78Å; P154-K261 HydrophobicContact CB-CG 4.03Å; P154-K261 HydrophobicContact CG-CD 4.06Å; P154-K261 WeakPolarHBondContact O-CE 3.37Å; G155-K261 WeakPolarHBondContact O-CE 3.23Å; G155-K261 WeakPolarHBondContact O-CG 3.43Å; I157-K261 HydrophobicContact CG1-CB 4.43Å; I157-K261 HydrophobicContact CG1-CG 4.49Å; G259-K261 PolarHBondContact O-N 3.02Å |
| 262 | G | 72.2 | Confident | 68.7 | Low | 3 Ų | 3 | 66.9 Ų | 66.9 | 3% | 0.031 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 151.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | P154 G155 A260 | P154-G262 WeakPolarHBondContact CB-O 3.03Å; G155-G262 PolarHBondContact O-N 3.14Å; A260-G262 PolarHBondContact O-N 2.94Å |
| 263 | P | 76.5 | Confident | 68.8 | Low | 95 Ų | 95 | 71.2 Ų | 71.2 | 62% | 0.617 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 155.8 | 176.7 | 26.2 | -33.9 | 0 | 0 | 0 | 110.7 | G107 | G107-P263 WeakPolarHBondContact CA-O 3.44Š|
| 264 | P | 77.9 | Confident | 68.8 | Low | 81 Ų | 81 | 70.1 Ų | 70.1 | 53% | 0.526 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -48.8 | 144.9 | 169.5 | -26 | 34.6 | 0 | 0 | 0 | 111.7 | P151 P154 | P151-P264 HydrophobicContact CB-CB 4.15Å; P154-P264 HydrophobicContact CB-CG 4.47Å; P154-P264 HydrophobicContact CG-CG 4.37Å |
| 265 | G | 76.7 | Confident | 68.9 | Low | 4 Ų | 4 | 72.4 Ų | 72.4 | 4% | 0.041 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 161.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I105 G107 P151 G152 | I105-G265 WeakPolarHBondContact O-CA 3.18Å; G107-G265 VanDerWaalsContact CA-CA 3.47Å; P151-G265 WeakPolarHBondContact CB-O 3.09Å; G152-G265 PolarHBondContact O-N 3.21Å |
| 266 | P | 79.5 | Confident | 68.6 | Low | 91 Ų | 91 | 70.3 Ų | 70.3 | 59% | 0.591 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 152.8 | 172.7 | 26.9 | -33.8 | 0 | 0 | 0 | 110.2 | G104 | G104-P266 WeakPolarHBondContact CA-O 3.02Š|
| 267 | P | 78.8 | Confident | 68.4 | Low | 83 Ų | 83 | 71.2 Ų | 71.2 | 54% | 0.539 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 147.1 | 170.8 | -25.5 | 34.2 | 0 | 0 | 0 | 111.8 | P148 | P148-P267 HydrophobicContact CB-CB 4.09Š|
| 268 | G | 76.9 | Confident | 67.9 | Low | 5 Ų | 5 | 75.2 Ų | 75.2 | 5% | 0.052 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 163.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P102 G149 | P102-G268 WeakPolarHBondContact O-CA 3.04Å; G149-G268 PolarHBondContact O-N 3.09Å |
| 269 | P | 74.9 | Confident | 67 | Low | 89 Ų | 89 | 76 Ų | 76 | 58% | 0.578 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 146.9 | 171.2 | 26.3 | -33.2 | 0 | 0 | 0 | 109.6 | G101 P102 | G101-P269 WeakPolarHBondContact CA-O 2.99Å; P102-P269 HydrophobicContact CG-CG 4.11Å |
| 270 | S | 73.6 | Confident | 66.5 | Low | 56 Ų | 56 | 78.3 Ų | 78.3 | 39% | 0.392 | 44% | 0.435 | S | S | . | . | B | Isolated β-bridge | trans | -55.3 | 144.2 | 173.7 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 271 | G | 68 | Low | 65.6 | Low | 9 Ų | 9 | 75.6 Ų | 75.6 | 9% | 0.093 | 41% | 0.413 | C | S | . | . | trans | -64 | -166.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L99 R145 G146 | L99-G271 VanDerWaalsContact O-CA 3.31Å; L99-G271 WeakPolarHBondContact O-CA 3.31Å; R145-G271 WeakPolarHBondContact CD-O 3.46Å; R145-G271 WeakPolarHBondContact CG-O 3.35Å; G146-G271 PolarHBondContact O-N 3.18Å | ||
| 272 | E | 66.7 | Low | 64.7 | Low | 153 Ų | 153 | 78.8 Ų | 78.8 | 72% | 0.715 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 161.1 | 174.7 | -65.6 | -171.8 | 158.5 | 0 | 0 | 111.2 | G146 G274 | G146-E272 PolarHBondContact N-O 2.97Å; E272-G274 PolarHBondContact O-N 3.08Å |
| 273 | R | 57.3 | Low | 64 | Low | 193 Ų | 193 | 85.4 Ų | 85.4 | 73% | 0.728 | 47% | 0.47 | S | S | * | . | B | Isolated β-bridge | trans | -66.7 | 131.2 | 174.2 | -78.6 | -172.4 | -68.8 | -132.9 | -0.9 | 108.7 | ||
| 274 | G | 58 | Low | 63.1 | Low | 11 Ų | 11 | 83.7 Ų | 83.7 | 11% | 0.113 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 146.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E272 | E272-G274 PolarHBondContact O-N 3.08Š|
| 275 | I | 55.2 | Low | 61.7 | Low | 107 Ų | 107 | 80.2 Ų | 80.2 | 55% | 0.549 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -91.1 | 124.2 | -179.3 | -61.9 | 169.5 | 0 | 0 | 0 | 107.6 | P277 | I275-P277 VanDerWaalsContact O-CD 3.31Å; I275-P277 WeakPolarHBondContact O-CD 3.16Å |
| 276 | C | 54.5 | Low | 60.9 | Low | 89 Ų | 89 | 81.2 Ų | 81.2 | 60% | 0.601 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -77.8 | 116 | 168 | -62.5 | 0 | 0 | 0 | 0 | 108.4 | C143 | C143-C276 PolarHBondContact SG-SG 2.97Š|
| 277 | P | 52.4 | Low | 59.4 | Low | 25 Ų | 25 | 79.7 Ų | 79.7 | 16% | 0.162 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 149.2 | 173 | 27.5 | -32.9 | 0 | 0 | 0 | 110.9 | I275 Y279 I286 | I275-P277 VanDerWaalsContact O-CD 3.31Å; I275-P277 WeakPolarHBondContact O-CD 3.16Å; P277-Y279 VanDerWaalsContact C-N 3.25Å; P277-Y279 PolarHBondContact O-N 3.2Å; P277-I286 HydrophobicContact CB-CG2 3.58Å; P277-I286 HydrophobicContact CG-CG2 3.87Å |
| 278 | K | 53 | Low | 58.3 | Low | 179 Ų | 179 | 77.7 Ų | 77.7 | 78% | 0.778 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -66 | -29.7 | -171.8 | -159.4 | -177.1 | 178.4 | -170.9 | 0 | 112.2 | ||
| 279 | Y | 48.6 | Very low | 57.2 | Low | 109 Ų | 109 | 83.5 Ų | 83.5 | 43% | 0.427 | 46% | 0.459 | S | S | . | . | trans | -160.4 | 143.2 | 171 | 38 | -90.5 | 0 | 0 | 0 | 108.7 | M52 P277 F287 | M52-Y279 HydrophobicContact CE-CE1 4.34Å; P277-Y279 VanDerWaalsContact C-N 3.25Å; P277-Y279 PolarHBondContact O-N 3.2Å; Y279-F287 HydrophobicContact CD2-CB 4.25Å; Y279-F287 HydrophobicContact CD2-CD2 4.19Å; Y279-F287 HydrophobicContact CD2-CG 4.4Å; Y279-F287 HydrophobicContact CE2-CB 3.78Å; Y279-F287 HydrophobicContact CE2-CD1 4.47Å; Y279-F287 AromaticContact CE2-CD2 3.94Å; Y279-F287 HydrophobicContact CE2-CD2 3.94Å; Y279-F287 AromaticContact CE2-CG 3.81Å; Y279-F287 HydrophobicContact CE2-CG 3.81Å | ||
| 280 | C | 52 | Low | 56.8 | Low | 55 Ų | 55 | 84.7 Ų | 84.7 | 37% | 0.372 | 46% | 0.46 | S | S | . | . | B | Isolated β-bridge | trans | -92.7 | 130 | 169.7 | -78 | 0 | 0 | 0 | 0 | 108.9 | C94 | C94-C280 HydrophobicContact CB-CB 4.35Å; C94-C280 WeakPolarHBondContact CB-SG 3.5Å; C94-C280 WeakPolarHBondContact SG-CB 3.38Å; C94-C280 CovalentContact SG-SG 2.04Å; C94-C280 PolarHBondContact SG-SG 3.11Å |
| 281 | A | 52.6 | Low | 55.9 | Low | 30 Ų | 30 | 85 Ų | 85 | 25% | 0.248 | 47% | 0.473 | C | S | . | . | trans | -72.3 | 146.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | D283 G284 G285 F287 | A281-D283 PolarHBondContact O-N 3.22Å; A281-D283 VanDerWaalsContact O-N 3.08Å; A281-G284 PolarHBondContact O-N 3.2Å; A281-G285 PolarHBondContact N-O 3.42Å; A281-G285 VanDerWaalsContact N-O 3.17Å; A281-F287 HydrophobicContact CB-CE2 4.02Å | ||
| 282 | L | 54.4 | Low | 55.4 | Low | 187 Ų | 187 | 86.1 Ų | 86.1 | 98% | 0.979 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -25.9 | 177.2 | -72.7 | 161.3 | 0 | 0 | 0 | 112.7 | G284 | L282-G284 PolarHBondContact O-N 3.26Š|
| 283 | D | 56.4 | Low | 54.9 | Low | 143 Ų | 143 | 86.5 Ų | 86.5 | 77% | 0.765 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 9.6 | 178.5 | -56.1 | -39.8 | 0 | 0 | 0 | 114 | A281 G285 | A281-D283 PolarHBondContact O-N 3.22Å; A281-D283 VanDerWaalsContact O-N 3.08Å; D283-G285 VanDerWaalsContact C-N 3.29Å; D283-G285 PolarHBondContact O-N 3.28Å |
| 284 | G | 58 | Low | 55 | Low | 59 Ų | 59 | 88.1 Ų | 88.1 | 61% | 0.608 | 48% | 0.48 | S | S | * | . | S | Bend | trans | 78.2 | 7.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | A281 L282 | A281-G284 PolarHBondContact O-N 3.2Å; L282-G284 PolarHBondContact O-N 3.26Å |
| 285 | G | 49 | Very low | 54.9 | Low | 7 Ų | 7 | 92 Ų | 92 | 7% | 0.072 | 50% | 0.498 | C | S | . | . | trans | -78.4 | 138.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A281 D283 | A281-G285 PolarHBondContact N-O 3.42Å; A281-G285 VanDerWaalsContact N-O 3.17Å; D283-G285 VanDerWaalsContact C-N 3.29Å; D283-G285 PolarHBondContact O-N 3.28Å | ||
| 286 | I | 58.9 | Low | 54.9 | Low | 26 Ų | 26 | 91.2 Ų | 91.2 | 13% | 0.133 | 50% | 0.496 | C | S | . | . | B | Isolated β-bridge | trans | -106 | 121.6 | -176.6 | -59.1 | 176.8 | 0 | 0 | 0 | 109.4 | L96 P277 F288 R293 R294 | L96-I286 HydrophobicContact CD1-CD1 3.49Å; L96-I286 VanDerWaalsContact CD1-CD1 3.49Å; L96-I286 HydrophobicContact CD1-CG2 4.25Å; L96-I286 HydrophobicContact CD2-CD1 4.14Å; L96-I286 HydrophobicContact CG-CD1 3.64Å; P277-I286 HydrophobicContact CB-CG2 3.58Å; P277-I286 HydrophobicContact CG-CG2 3.87Å; I286-F288 HydrophobicContact CB-CE2 4.28Å; I286-F288 HydrophobicContact CG2-CD2 4.29Å; I286-F288 HydrophobicContact CG2-CE2 3.74Å; I286-F288 HydrophobicContact CG2-CZ 3.88Å; I286-R293 WeakPolarHBondContact O-CA 3.19Å; I286-R294 PolarHBondContact N-O 3.19Å; I286-R294 PolarHBondContact O-N 3.46Å |
| 287 | F | 49.1 | Very low | 54.9 | Low | 59 Ų | 59 | 91.3 Ų | 91.3 | 26% | 0.259 | 49% | 0.49 | S | S | . | . | B | Isolated β-bridge | trans | -99.1 | 122.1 | 175.6 | -73.1 | -90.3 | 0 | 0 | 0 | 111.1 | Y279 A281 R293 | Y279-F287 HydrophobicContact CD2-CB 4.25Å; Y279-F287 HydrophobicContact CD2-CD2 4.19Å; Y279-F287 HydrophobicContact CD2-CG 4.4Å; Y279-F287 HydrophobicContact CE2-CB 3.78Å; Y279-F287 HydrophobicContact CE2-CD1 4.47Å; Y279-F287 AromaticContact CE2-CD2 3.94Å; Y279-F287 HydrophobicContact CE2-CD2 3.94Å; Y279-F287 AromaticContact CE2-CG 3.81Å; Y279-F287 HydrophobicContact CE2-CG 3.81Å; A281-F287 HydrophobicContact CB-CE2 4.02Å; F287-R293 HydrophobicContact CD1-CB 4.39Å; F287-R293 HydrophobicContact CE1-CB 4.09Å; F287-R293 HydrophobicContact CE1-CG 4.36Å; F287-R293 HydrophobicContact CZ-CB 4.46Å; F287-R293 HydrophobicContact CZ-CG 4.23Å |
| 288 | F | 54.2 | Low | 55 | Low | 40 Ų | 40 | 95.2 Ų | 95.2 | 18% | 0.175 | 51% | 0.509 | C | S | . | . | trans | -93.1 | 161.9 | 177.7 | -69.3 | -88.1 | 0 | 0 | 0 | 111.5 | L96 I286 D290 G291 S292 R294 | L96-F288 HydrophobicContact CD1-CE1 4.38Å; L96-F288 HydrophobicContact CD1-CZ 3.66Å; I286-F288 HydrophobicContact CB-CE2 4.28Å; I286-F288 HydrophobicContact CG2-CD2 4.29Å; I286-F288 HydrophobicContact CG2-CE2 3.74Å; I286-F288 HydrophobicContact CG2-CZ 3.88Å; F288-D290 WeakPolarHBondContact CB-OD1 3.36Å; F288-D290 PolarHBondContact O-N 3.27Å; F288-D290 VanDerWaalsContact O-N 3.14Å; F288-G291 PolarHBondContact O-N 3.28Å; F288-S292 PolarHBondContact N-O 3.35Å; F288-R294 HydrophobicContact CD2-CG 4.18Å; F288-R294 HydrophobicContact CE2-CB 3.88Å; F288-R294 HydrophobicContact CE2-CG 3.7Å | ||
| 289 | S | 55.6 | Low | 55.2 | Low | 128 Ų | 128 | 89.9 Ų | 89.9 | 90% | 0.895 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -14.1 | -179.5 | 47.7 | 0 | 0 | 0 | 0 | 114.4 | G291 | S289-G291 VanDerWaalsContact C-N 3.28Š|
| 290 | D | 65.3 | Low | 55.6 | Low | 113 Ų | 113 | 88.7 Ų | 88.7 | 60% | 0.604 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 2.9 | 173.2 | 66.9 | -19.7 | 0 | 0 | 0 | 112.9 | F288 S292 | F288-D290 WeakPolarHBondContact CB-OD1 3.36Å; F288-D290 PolarHBondContact O-N 3.27Å; F288-D290 VanDerWaalsContact O-N 3.14Å; D290-S292 PolarHBondContact O-N 3.15Å; D290-S292 WeakPolarHBondContact OD1-CB 3.39Å; D290-S292 PolarHBondContact OD1-N 3.27Å; D290-S292 PolarHBondContact OD1-OG 3.14Å; D290-S292 PolarHBondContact OD2-OG 3.17Å |
| 291 | G | 55.1 | Low | 55.9 | Low | 63 Ų | 63 | 91.1 Ų | 91.1 | 65% | 0.649 | 51% | 0.505 | S | S | * | . | S | Bend | trans | 78.7 | 4.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F288 S289 | F288-G291 PolarHBondContact O-N 3.28Å; S289-G291 VanDerWaalsContact C-N 3.28Å |
| 292 | S | 58.2 | Low | 56.1 | Low | 32 Ų | 32 | 95.8 Ų | 95.8 | 22% | 0.224 | 53% | 0.525 | C | S | . | . | trans | -79.3 | 138.4 | 177.4 | 71.9 | 0 | 0 | 0 | 0 | 111.7 | F288 D290 | F288-S292 PolarHBondContact N-O 3.35Å; D290-S292 PolarHBondContact O-N 3.15Å; D290-S292 WeakPolarHBondContact OD1-CB 3.39Å; D290-S292 PolarHBondContact OD1-N 3.27Å; D290-S292 PolarHBondContact OD1-OG 3.14Å; D290-S292 PolarHBondContact OD2-OG 3.17Å | ||
| 293 | R | 56.2 | Low | 56.3 | Low | 162 Ų | 162 | 88.2 Ų | 88.2 | 61% | 0.611 | 49% | 0.487 | S | S | * | . | B | Isolated β-bridge | trans | -98.7 | 127.7 | 170.9 | -178.5 | -178.1 | 177.9 | 176.4 | 3.7 | 108.6 | I286 F287 | I286-R293 WeakPolarHBondContact O-CA 3.19Å; F287-R293 HydrophobicContact CD1-CB 4.39Å; F287-R293 HydrophobicContact CE1-CB 4.09Å; F287-R293 HydrophobicContact CE1-CG 4.36Å; F287-R293 HydrophobicContact CZ-CB 4.46Å; F287-R293 HydrophobicContact CZ-CG 4.23Å |
| 294 | R | 59.3 | Low | 56.2 | Low | 226 Ų | 226 | 83.2 Ų | 83.2 | 85% | 0.853 | 46% | 0.462 | S | S | * | . | trans | -124.3 | 0 | 167.1 | -55.1 | -173.4 | -178 | -167.2 | -0.6 | 111.4 | I286 F288 | I286-R294 PolarHBondContact N-O 3.19Å; I286-R294 PolarHBondContact O-N 3.46Å; F288-R294 HydrophobicContact CD2-CG 4.18Å; F288-R294 HydrophobicContact CE2-CB 3.88Å; F288-R294 HydrophobicContact CE2-CG 3.7Å |
Retrieved 294 of 294 residues in 36.3 ms
(Link to these results)