| 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 | 49 | Very low | 73.7 | Confident | 241 Ų | 241 | 117.9 Ų | 117.9 | 100% | 1.187 | 66% | 0.66 | S | S | * | * | 0 | 114.7 | 0 | -144.4 | 167.2 | -176.2 | 0 | 0 | 105.4 | E3 | M1-E3 PolarHBondContact O-N 3.33Š| |||
| 2 | V | 58.6 | Low | 74.7 | Confident | 125 Ų | 125 | 117 Ų | 117 | 76% | 0.758 | 64% | 0.639 | S | S | * | * | trans | -71.9 | 112.3 | 178.5 | 174 | 0 | 0 | 0 | 0 | 107 | N4 | V2-N4 PolarHBondContact O-N 2.82Š| ||
| 3 | E | 67.9 | Low | 75.9 | Confident | 157 Ų | 157 | 113.2 Ų | 113.2 | 73% | 0.734 | 63% | 0.633 | S | S | * | * | trans | -77.2 | 91.6 | -179.2 | -160.9 | 166.9 | 176.6 | 0 | 0 | 108.8 | M1 S5 | M1-E3 PolarHBondContact O-N 3.33Å; E3-S5 PolarHBondContact O-N 3.35Å | ||
| 4 | N | 69.2 | Low | 77.1 | Confident | 141 Ų | 141 | 112.6 Ų | 112.6 | 75% | 0.754 | 63% | 0.626 | S | S | * | * | trans | -80 | 60.8 | 173.3 | -81 | -57.6 | 0 | 0 | 0 | 110.1 | V2 | V2-N4 PolarHBondContact O-N 2.82Š| ||
| 5 | S | 77.8 | Confident | 78.1 | Confident | 26 Ų | 26 | 116.7 Ų | 116.7 | 18% | 0.182 | 63% | 0.63 | C | S | . | * | trans | -88 | 137.3 | 169.5 | 60 | 0 | 0 | 0 | 0 | 109.1 | E3 S7 R12 | E3-S5 PolarHBondContact O-N 3.35Å; S5-S7 PolarHBondContact O-N 3.1Å; S5-S7 VanDerWaalsContact O-N 3.16Å; S5-S7 PolarHBondContact OG-OG 3.21Å; S5-R12 PolarHBondContact O-NH1 3.24Å; S5-R12 PolarHBondContact O-NH2 2.91Å | ||
| 6 | P | 76.2 | Confident | 79 | Confident | 128 Ų | 128 | 111.9 Ų | 111.9 | 83% | 0.831 | 62% | 0.616 | S | S | * | * | trans | -72.9 | 3.5 | 173.3 | 30.6 | -35 | 0 | 0 | 0 | 112.4 | ||||
| 7 | S | 78.4 | Confident | 79.9 | Confident | 51 Ų | 51 | 112.7 Ų | 112.7 | 36% | 0.357 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -64.6 | 147.5 | -176.8 | 57 | 0 | 0 | 0 | 0 | 111.4 | S5 L9 R12 | S5-S7 PolarHBondContact O-N 3.1Å; S5-S7 VanDerWaalsContact O-N 3.16Å; S5-S7 PolarHBondContact OG-OG 3.21Å; S7-L9 PolarHBondContact O-N 3.27Å; S7-R12 PolarHBondContact O-NH1 3.44Å |
| 8 | P | 76.9 | Confident | 80.8 | Confident | 132 Ų | 132 | 111.5 Ų | 111.5 | 86% | 0.857 | 61% | 0.609 | S | S | * | * | trans | -66.4 | 104.5 | 174.1 | 26.7 | -32.4 | 0 | 0 | 0 | 108.8 | ||||
| 9 | L | 84.5 | Confident | 81.6 | Confident | 59 Ų | 59 | 112.4 Ų | 112.4 | 31% | 0.309 | 61% | 0.612 | S | S | . | * | trans | -96.1 | 138.8 | 175.6 | -70.3 | 163.4 | 0 | 0 | 0 | 109.1 | S7 E11 R12 A13 | S7-L9 PolarHBondContact O-N 3.27Å; L9-E11 PolarHBondContact O-N 3.46Å; L9-E11 VanDerWaalsContact O-N 3.15Å; L9-R12 HydrophobicContact CB-CG 4.28Å; L9-R12 WeakPolarHBondContact O-CB 3.44Å; L9-R12 PolarHBondContact O-N 2.92Å; L9-A13 PolarHBondContact O-N 3.46Å | ||
| 10 | P | 85.8 | Confident | 82.4 | Confident | 103 Ų | 103 | 112.2 Ų | 112.2 | 67% | 0.669 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -52.5 | -36.8 | 175.8 | -27.5 | 34.7 | 0 | 0 | 0 | 113 | R12 A13 I14 | P10-R12 VanDerWaalsContact C-N 3.34Å; P10-R12 PolarHBondContact O-N 3.36Å; P10-A13 WeakPolarHBondContact O-CB 3.47Å; P10-A13 PolarHBondContact O-N 3Å; P10-I14 WeakPolarHBondContact O-CG1 3.35Å; P10-I14 PolarHBondContact O-N 3.36Å; P10-I14 VanDerWaalsContact O-N 3.12Å |
| 11 | E | 86 | Confident | 83.1 | Confident | 134 Ų | 134 | 111 Ų | 111 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -59.8 | -40.6 | 176.9 | -61.9 | 179.7 | 176.7 | 0 | 0 | 112.8 | L9 A13 I14 Y15 | L9-E11 PolarHBondContact O-N 3.46Å; L9-E11 VanDerWaalsContact O-N 3.15Å; E11-A13 VanDerWaalsContact C-N 3.33Å; E11-A13 PolarHBondContact O-N 3.01Å; E11-I14 PolarHBondContact O-N 3.31Å; E11-Y15 WeakPolarHBondContact O-CD2 3.44Å; E11-Y15 PolarHBondContact O-N 2.98Å |
| 12 | R | 86.6 | Confident | 85.5 | Confident | 107 Ų | 107 | 101.7 Ų | 101.7 | 40% | 0.404 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.9 | -36 | 176.6 | -68.2 | -177.2 | 179 | 166.3 | 4.4 | 112.2 | S5 S7 L9 P10 I14 Y15 G16 | S5-R12 PolarHBondContact O-NH1 3.24Å; S5-R12 PolarHBondContact O-NH2 2.91Å; S7-R12 PolarHBondContact O-NH1 3.44Å; L9-R12 HydrophobicContact CB-CG 4.28Å; L9-R12 WeakPolarHBondContact O-CB 3.44Å; L9-R12 PolarHBondContact O-N 2.92Å; P10-R12 VanDerWaalsContact C-N 3.34Å; P10-R12 PolarHBondContact O-N 3.36Å; R12-I14 VanDerWaalsContact C-N 3.31Å; R12-I14 PolarHBondContact O-N 3.12Å; R12-Y15 PolarHBondContact O-N 3.21Å; R12-G16 PolarHBondContact O-N 3.03Å |
| 13 | A | 89.2 | Confident | 87.3 | Confident | 68 Ų | 68 | 98.6 Ų | 98.6 | 56% | 0.562 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65 | -36.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L9 P10 E11 G16 F17 | L9-A13 PolarHBondContact O-N 3.46Å; P10-A13 WeakPolarHBondContact O-CB 3.47Å; P10-A13 PolarHBondContact O-N 3Å; E11-A13 VanDerWaalsContact C-N 3.33Å; E11-A13 PolarHBondContact O-N 3.01Å; A13-G16 PolarHBondContact O-N 2.57Å; A13-F17 WeakPolarHBondContact O-CB 3.4Å; A13-F17 PolarHBondContact O-N 3.45Å |
| 14 | I | 93.6 | Very high | 88.7 | Confident | 104 Ų | 104 | 94.9 Ų | 94.9 | 53% | 0.533 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.7 | -47 | 176.4 | -64.4 | 166.6 | 0 | 0 | 0 | 110.6 | P10 E11 R12 G16 F17 V18 | P10-I14 WeakPolarHBondContact O-CG1 3.35Å; P10-I14 PolarHBondContact O-N 3.36Å; P10-I14 VanDerWaalsContact O-N 3.12Å; E11-I14 PolarHBondContact O-N 3.31Å; R12-I14 VanDerWaalsContact C-N 3.31Å; R12-I14 PolarHBondContact O-N 3.12Å; I14-G16 VanDerWaalsContact C-N 3.34Å; I14-G16 PolarHBondContact O-N 2.74Å; I14-F17 PolarHBondContact O-N 3.19Å; I14-V18 HydrophobicContact CG2-CG2 4.29Å; I14-V18 WeakPolarHBondContact O-CG2 3.36Å; I14-V18 PolarHBondContact O-N 2.98Å |
| 15 | Y | 91 | Very high | 90.1 | Very high | 175 Ų | 175 | 94.7 Ų | 94.7 | 69% | 0.686 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.9 | -44 | 177.5 | -66.4 | -60.6 | 0 | 0 | 0 | 112.3 | E11 R12 F17 V18 L19 | E11-Y15 WeakPolarHBondContact O-CD2 3.44Å; E11-Y15 PolarHBondContact O-N 2.98Å; R12-Y15 PolarHBondContact O-N 3.21Å; Y15-F17 VanDerWaalsContact C-N 3.33Å; Y15-F17 PolarHBondContact O-N 3.39Å; Y15-V18 PolarHBondContact O-N 2.9Å; Y15-L19 VanDerWaalsContact O-CB 3.32Å; Y15-L19 WeakPolarHBondContact O-CB 3.39Å; Y15-L19 PolarHBondContact O-N 2.94Å |
| 16 | G | 92.5 | Very high | 91 | Very high | 40 Ų | 40 | 95.2 Ų | 95.2 | 41% | 0.412 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R12 A13 I14 L19 F20 | R12-G16 PolarHBondContact O-N 3.03Å; A13-G16 PolarHBondContact O-N 2.57Å; I14-G16 VanDerWaalsContact C-N 3.34Å; I14-G16 PolarHBondContact O-N 2.74Å; G16-L19 PolarHBondContact O-N 3.33Å; G16-F20 WeakPolarHBondContact O-CB 3.18Å; G16-F20 PolarHBondContact O-N 3.37Å |
| 17 | F | 94.8 | Very high | 91.9 | Very high | 125 Ų | 125 | 94.7 Ų | 94.7 | 55% | 0.548 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.3 | -43.7 | 178.2 | -177.3 | -111.2 | 0 | 0 | 0 | 112.7 | A13 I14 Y15 L19 F20 L21 | A13-F17 WeakPolarHBondContact O-CB 3.4Å; A13-F17 PolarHBondContact O-N 3.45Å; I14-F17 PolarHBondContact O-N 3.19Å; Y15-F17 VanDerWaalsContact C-N 3.33Å; Y15-F17 PolarHBondContact O-N 3.39Å; F17-L19 VanDerWaalsContact C-N 3.34Å; F17-F20 WeakPolarHBondContact O-CB 3.45Å; F17-F20 PolarHBondContact O-N 3.19Å; F17-L21 HydrophobicContact CD1-CD1 4.09Å; F17-L21 HydrophobicContact CE1-CD1 3.47Å; F17-L21 VanDerWaalsContact CE1-CD1 3.47Å; F17-L21 HydrophobicContact CE1-CG 4.21Å; F17-L21 HydrophobicContact CE2-CD1 4.34Å; F17-L21 HydrophobicContact CE2-CD2 4.44Å; F17-L21 HydrophobicContact CE2-CG 4.27Å; F17-L21 HydrophobicContact CZ-CD1 3.62Å; F17-L21 HydrophobicContact CZ-CD2 4.28Å; F17-L21 HydrophobicContact CZ-CG 4.03Å; F17-L21 PolarHBondContact O-N 3.29Å |
| 18 | V | 96.8 | Very high | 92.9 | Very high | 91 Ų | 91 | 98.6 Ų | 98.6 | 55% | 0.552 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.6 | -43.6 | 175.3 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | I14 Y15 F20 L21 G22 | I14-V18 HydrophobicContact CG2-CG2 4.29Å; I14-V18 WeakPolarHBondContact O-CG2 3.36Å; I14-V18 PolarHBondContact O-N 2.98Å; Y15-V18 PolarHBondContact O-N 2.9Å; V18-F20 VanDerWaalsContact C-N 3.34Å; V18-F20 PolarHBondContact O-N 3.42Å; V18-L21 PolarHBondContact O-N 2.98Å; V18-G22 PolarHBondContact O-N 3.36Å |
| 19 | L | 96.3 | Very high | 93.7 | Very high | 128 Ų | 128 | 96.5 Ų | 96.5 | 67% | 0.67 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.6 | -43.8 | 175.8 | -177.6 | 65.7 | 0 | 0 | 0 | 111.3 | Y15 G16 F17 G22 S23 | Y15-L19 VanDerWaalsContact O-CB 3.32Å; Y15-L19 WeakPolarHBondContact O-CB 3.39Å; Y15-L19 PolarHBondContact O-N 2.94Å; G16-L19 PolarHBondContact O-N 3.33Å; F17-L19 VanDerWaalsContact C-N 3.34Å; L19-G22 PolarHBondContact O-N 2.86Å; L19-S23 WeakPolarHBondContact O-CB 3.39Å; L19-S23 PolarHBondContact O-N 3.46Å; L19-S23 PolarHBondContact O-OG 2.95Å; L19-S23 VanDerWaalsContact O-OG 3.13Å |
| 20 | F | 96.6 | Very high | 94.2 | Very high | 109 Ų | 109 | 96.8 Ų | 96.8 | 48% | 0.478 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.6 | -48.8 | 177.1 | 171.2 | -102.8 | 0 | 0 | 0 | 112.3 | G16 F17 V18 G22 S23 Q24 | G16-F20 WeakPolarHBondContact O-CB 3.18Å; G16-F20 PolarHBondContact O-N 3.37Å; F17-F20 WeakPolarHBondContact O-CB 3.45Å; F17-F20 PolarHBondContact O-N 3.19Å; V18-F20 VanDerWaalsContact C-N 3.34Å; V18-F20 PolarHBondContact O-N 3.42Å; F20-G22 PolarHBondContact O-N 2.95Å; F20-S23 WeakPolarHBondContact CA-OG 3.35Å; F20-S23 PolarHBondContact O-N 2.62Å; F20-S23 PolarHBondContact O-OG 3.13Å; F20-Q24 HydrophobicContact CD2-CG 4.2Å; F20-Q24 HydrophobicContact CE1-CG 4.27Å; F20-Q24 HydrophobicContact CE2-CG 3.83Å; F20-Q24 HydrophobicContact CZ-CG 3.87Å; F20-Q24 WeakPolarHBondContact O-CB 3.36Å; F20-Q24 WeakPolarHBondContact O-CG 3.45Å; F20-Q24 PolarHBondContact O-N 2.8Å |
| 21 | L | 98.1 | Very high | 94.6 | Very high | 88 Ų | 88 | 93.3 Ų | 93.3 | 46% | 0.461 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 177.6 | -70.1 | -179.6 | 0 | 0 | 0 | 111.6 | F17 V18 Q24 F25 | F17-L21 HydrophobicContact CD1-CD1 4.09Å; F17-L21 HydrophobicContact CE1-CD1 3.47Å; F17-L21 VanDerWaalsContact CE1-CD1 3.47Å; F17-L21 HydrophobicContact CE1-CG 4.21Å; F17-L21 HydrophobicContact CE2-CD1 4.34Å; F17-L21 HydrophobicContact CE2-CD2 4.44Å; F17-L21 HydrophobicContact CE2-CG 4.27Å; F17-L21 HydrophobicContact CZ-CD1 3.62Å; F17-L21 HydrophobicContact CZ-CD2 4.28Å; F17-L21 HydrophobicContact CZ-CG 4.03Å; F17-L21 PolarHBondContact O-N 3.29Å; V18-L21 PolarHBondContact O-N 2.98Å; L21-Q24 PolarHBondContact O-N 3.48Å; L21-F25 WeakPolarHBondContact O-CB 3.12Å; L21-F25 PolarHBondContact O-N 3.42Å |
| 22 | G | 98.1 | Very high | 95.1 | Very high | 44 Ų | 44 | 92.4 Ų | 92.4 | 45% | 0.454 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V18 L19 F20 F25 G26 | V18-G22 PolarHBondContact O-N 3.36Å; L19-G22 PolarHBondContact O-N 2.86Å; F20-G22 PolarHBondContact O-N 2.95Å; G22-F25 PolarHBondContact O-N 2.98Å; G22-G26 PolarHBondContact O-N 3.4Å |
| 23 | S | 97 | Very high | 95.3 | Very high | 60 Ų | 60 | 88.6 Ų | 88.6 | 42% | 0.42 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67 | -41.4 | 178.1 | 64.5 | 0 | 0 | 0 | 0 | 111.9 | L19 F20 G26 F27 | L19-S23 WeakPolarHBondContact O-CB 3.39Å; L19-S23 PolarHBondContact O-N 3.46Å; L19-S23 PolarHBondContact O-OG 2.95Å; L19-S23 VanDerWaalsContact O-OG 3.13Å; F20-S23 WeakPolarHBondContact CA-OG 3.35Å; F20-S23 PolarHBondContact O-N 2.62Å; F20-S23 PolarHBondContact O-OG 3.13Å; S23-G26 PolarHBondContact O-N 3.35Å; S23-F27 VanDerWaalsContact O-CB 3.24Å; S23-F27 WeakPolarHBondContact O-CB 3.48Å; S23-F27 PolarHBondContact O-N 2.91Å |
| 24 | Q | 97.9 | Very high | 95.6 | Very high | 80 Ų | 80 | 86.7 Ų | 86.7 | 37% | 0.374 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62 | -49 | 176.3 | -71.1 | -65.3 | 97.6 | 0 | 0 | 110.7 | F20 L21 F27 F28 | F20-Q24 HydrophobicContact CD2-CG 4.2Å; F20-Q24 HydrophobicContact CE1-CG 4.27Å; F20-Q24 HydrophobicContact CE2-CG 3.83Å; F20-Q24 HydrophobicContact CZ-CG 3.87Å; F20-Q24 WeakPolarHBondContact O-CB 3.36Å; F20-Q24 WeakPolarHBondContact O-CG 3.45Å; F20-Q24 PolarHBondContact O-N 2.8Å; L21-Q24 PolarHBondContact O-N 3.48Å; Q24-F27 PolarHBondContact O-N 3.26Å; Q24-F28 WeakPolarHBondContact O-CD2 3.29Å; Q24-F28 PolarHBondContact O-N 2.87Å |
| 25 | F | 98.1 | Very high | 95.6 | Very high | 137 Ų | 137 | 91 Ų | 91 | 60% | 0.601 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.7 | -47.5 | 178.4 | 179.7 | -107.8 | 0 | 0 | 0 | 112.2 | L21 G22 F27 F28 L29 | L21-F25 WeakPolarHBondContact O-CB 3.12Å; L21-F25 PolarHBondContact O-N 3.42Å; G22-F25 PolarHBondContact O-N 2.98Å; F25-F27 VanDerWaalsContact C-N 3.32Å; F25-F27 PolarHBondContact O-N 3.42Å; F25-F28 PolarHBondContact O-N 3.41Å; F25-L29 HydrophobicContact CD1-CD1 4.03Å; F25-L29 HydrophobicContact CE1-CD1 3.44Å; F25-L29 VanDerWaalsContact CE1-CD1 3.44Å; F25-L29 HydrophobicContact CE1-CG 4.19Å; F25-L29 HydrophobicContact CE2-CD1 4.46Å; F25-L29 HydrophobicContact CE2-CG 4.42Å; F25-L29 HydrophobicContact CZ-CD1 3.69Å; F25-L29 HydrophobicContact CZ-CD2 4.33Å; F25-L29 HydrophobicContact CZ-CG 4.11Å; F25-L29 PolarHBondContact O-N 3.49Å |
| 26 | G | 96.6 | Very high | 95.7 | Very high | 36 Ų | 36 | 84.5 Ų | 84.5 | 37% | 0.371 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G22 S23 L29 Y30 | G22-G26 PolarHBondContact O-N 3.4Å; S23-G26 PolarHBondContact O-N 3.35Å; G26-L29 PolarHBondContact O-N 3.02Å; G26-Y30 WeakPolarHBondContact O-CB 3.37Å; G26-Y30 PolarHBondContact O-N 2.87Å |
| 27 | F | 95.8 | Very high | 95.7 | Very high | 117 Ų | 117 | 85.5 Ų | 85.5 | 51% | 0.513 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 176 | -178.4 | -106.5 | 0 | 0 | 0 | 112.4 | S23 Q24 F25 Y30 C31 | S23-F27 VanDerWaalsContact O-CB 3.24Å; S23-F27 WeakPolarHBondContact O-CB 3.48Å; S23-F27 PolarHBondContact O-N 2.91Å; Q24-F27 PolarHBondContact O-N 3.26Å; F25-F27 VanDerWaalsContact C-N 3.32Å; F25-F27 PolarHBondContact O-N 3.42Å; F27-Y30 WeakPolarHBondContact O-CB 3.21Å; F27-Y30 PolarHBondContact O-N 2.88Å; F27-C31 VanDerWaalsContact CZ-SG 3.58Å; F27-C31 PolarHBondContact O-N 3.44Å; F27-C31 PolarHBondContact O-SG 3.49Å |
| 28 | F | 97.8 | Very high | 95.6 | Very high | 133 Ų | 133 | 84 Ų | 84 | 58% | 0.583 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62 | -45.1 | 174.1 | -78.4 | -65.4 | 0 | 0 | 0 | 112 | Q24 F25 Y30 C31 L32 | Q24-F28 WeakPolarHBondContact O-CD2 3.29Å; Q24-F28 PolarHBondContact O-N 2.87Å; F25-F28 PolarHBondContact O-N 3.41Å; F28-Y30 VanDerWaalsContact C-N 3.31Å; F28-Y30 PolarHBondContact O-N 3.4Å; F28-C31 PolarHBondContact O-N 3.33Å; F28-L32 VanDerWaalsContact O-CB 3.31Å; F28-L32 WeakPolarHBondContact O-CB 3.41Å; F28-L32 PolarHBondContact O-N 3.3Å |
| 29 | L | 95.2 | Very high | 95.3 | Very high | 88 Ų | 88 | 87.2 Ų | 87.2 | 46% | 0.461 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 175.7 | -69.9 | -178.6 | 0 | 0 | 0 | 112 | F25 G26 L32 W33 | F25-L29 HydrophobicContact CD1-CD1 4.03Å; F25-L29 HydrophobicContact CE1-CD1 3.44Å; F25-L29 VanDerWaalsContact CE1-CD1 3.44Å; F25-L29 HydrophobicContact CE1-CG 4.19Å; F25-L29 HydrophobicContact CE2-CD1 4.46Å; F25-L29 HydrophobicContact CE2-CG 4.42Å; F25-L29 HydrophobicContact CZ-CD1 3.69Å; F25-L29 HydrophobicContact CZ-CD2 4.33Å; F25-L29 HydrophobicContact CZ-CG 4.11Å; F25-L29 PolarHBondContact O-N 3.49Å; G26-L29 PolarHBondContact O-N 3.02Å; L29-L32 PolarHBondContact O-N 2.84Å; L29-W33 WeakPolarHBondContact O-CB 3.3Å; L29-W33 PolarHBondContact O-N 3.49Å |
| 30 | Y | 94.6 | Very high | 95.2 | Very high | 66 Ų | 66 | 89.2 Ų | 89.2 | 26% | 0.259 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.2 | -48.6 | 175.9 | 175.2 | -97.8 | 0 | 0 | 0 | 111.9 | G26 F27 F28 W33 A34 A55 P59 | G26-Y30 WeakPolarHBondContact O-CB 3.37Å; G26-Y30 PolarHBondContact O-N 2.87Å; F27-Y30 WeakPolarHBondContact O-CB 3.21Å; F27-Y30 PolarHBondContact O-N 2.88Å; F28-Y30 VanDerWaalsContact C-N 3.31Å; F28-Y30 PolarHBondContact O-N 3.4Å; Y30-W33 HydrophobicContact CD2-CE3 4.21Å; Y30-W33 HydrophobicContact CD2-CZ3 4.3Å; Y30-W33 HydrophobicContact CE2-CE3 4.33Å; Y30-W33 AromaticContact CE2-CZ3 3.98Å; Y30-W33 HydrophobicContact CE2-CZ3 3.98Å; Y30-W33 PolarHBondContact O-N 3.24Å; Y30-A34 VanDerWaalsContact O-CB 3.3Å; Y30-A34 WeakPolarHBondContact O-CB 3.07Å; Y30-A34 PolarHBondContact O-N 3.38Å; Y30-A55 WeakPolarHBondContact OH-CA 3.31Å; Y30-A55 PolarHBondContact OH-O 3.41Å; Y30-P59 WeakPolarHBondContact OH-CD 3.47Å; Y30-P59 WeakPolarHBondContact OH-CG 3.46Å |
| 31 | C | 95.1 | Very high | 94.9 | Very high | 29 Ų | 29 | 85.1 Ų | 85.1 | 20% | 0.196 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 176.7 | -73.3 | 0 | 0 | 0 | 0 | 111.5 | F27 F28 W33 A34 Y35 | F27-C31 VanDerWaalsContact CZ-SG 3.58Å; F27-C31 PolarHBondContact O-N 3.44Å; F27-C31 PolarHBondContact O-SG 3.49Å; F28-C31 PolarHBondContact O-N 3.33Å; C31-W33 VanDerWaalsContact C-N 3.32Å; C31-W33 PolarHBondContact O-N 2.92Å; C31-A34 PolarHBondContact O-N 2.94Å; C31-A34 VanDerWaalsContact O-N 3.13Å; C31-Y35 HydrophobicContact CB-CD2 4.31Å; C31-Y35 HydrophobicContact CB-CE2 4.36Å; C31-Y35 WeakPolarHBondContact O-CD2 3.39Å; C31-Y35 PolarHBondContact O-N 3.39Å |
| 32 | L | 94.6 | Very high | 94.6 | Very high | 116 Ų | 116 | 85.5 Ų | 85.5 | 61% | 0.607 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -55.6 | -50.9 | 176.4 | -172.4 | 105.5 | 0 | 0 | 0 | 110.1 | F28 L29 A34 V36 | F28-L32 VanDerWaalsContact O-CB 3.31Å; F28-L32 WeakPolarHBondContact O-CB 3.41Å; F28-L32 PolarHBondContact O-N 3.3Å; L29-L32 PolarHBondContact O-N 2.84Å; L32-A34 PolarHBondContact O-N 3.04Å; L32-V36 HydrophobicContact CG-CG2 4.22Å; L32-V36 VanDerWaalsContact O-CB 3.29Å; L32-V36 WeakPolarHBondContact O-CB 3.34Å; L32-V36 WeakPolarHBondContact O-CG2 3.42Å; L32-V36 PolarHBondContact O-N 3.46Å |
| 33 | W | 92.4 | Very high | 94.4 | Very high | 26 Ų | 26 | 88 Ų | 88 | 10% | 0.098 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 174.6 | 167.5 | 72.4 | 0 | 0 | 0 | 111.7 | L29 Y30 C31 Y35 W49 P50 K52 W54 A55 | L29-W33 WeakPolarHBondContact O-CB 3.3Å; L29-W33 PolarHBondContact O-N 3.49Å; Y30-W33 HydrophobicContact CD2-CE3 4.21Å; Y30-W33 HydrophobicContact CD2-CZ3 4.3Å; Y30-W33 HydrophobicContact CE2-CE3 4.33Å; Y30-W33 AromaticContact CE2-CZ3 3.98Å; Y30-W33 HydrophobicContact CE2-CZ3 3.98Å; Y30-W33 PolarHBondContact O-N 3.24Å; C31-W33 VanDerWaalsContact C-N 3.32Å; C31-W33 PolarHBondContact O-N 2.92Å; W33-Y35 VanDerWaalsContact C-N 3.34Å; W33-Y35 PolarHBondContact O-N 2.86Å; W33-W49 HydrophobicContact CB-CZ3 4.1Å; W33-W49 AromaticContact CD1-CE3 3.08Å; W33-W49 AromaticContact CD1-CZ3 3.24Å; W33-W49 AromaticContact CG-CE3 3.96Å; W33-W49 HydrophobicContact CG-CE3 3.96Å; W33-W49 AromaticContact CG-CZ3 3.74Å; W33-W49 HydrophobicContact CG-CZ3 3.74Å; W33-W49 AromaticContact NE1-CE3 3.31Å; W33-W49 VanDerWaalsContact NE1-CE3 3.31Å; W33-W49 AromaticContact NE1-CZ3 3.92Å; W33-P50 HydrophobicContact CZ2-CB 4.35Å; W33-P50 HydrophobicContact CZ2-CG 3.92Å; W33-P50 WeakPolarHBondContact CZ2-O 3.36Å; W33-K52 HydrophobicContact CZ2-CD 4.29Å; W33-K52 PolarHBondContact O-NZ 3.21Å; W33-W54 HydrophobicContact CH2-CB 4.16Å; W33-A55 HydrophobicContact CH2-CB 4.06Å; W33-A55 HydrophobicContact CZ3-CB 3.67Å |
| 34 | A | 94.1 | Very high | 94.2 | Very high | 28 Ų | 28 | 90.6 Ų | 90.6 | 23% | 0.231 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.4 | -39.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y30 C31 L32 A55 | Y30-A34 VanDerWaalsContact O-CB 3.3Å; Y30-A34 WeakPolarHBondContact O-CB 3.07Å; Y30-A34 PolarHBondContact O-N 3.38Å; C31-A34 PolarHBondContact O-N 2.94Å; C31-A34 VanDerWaalsContact O-N 3.13Å; L32-A34 PolarHBondContact O-N 3.04Å; A34-A55 HydrophobicContact CB-CB 3.9Å |
| 35 | Y | 93.9 | Very high | 93.9 | Very high | 195 Ų | 195 | 89.3 Ų | 89.3 | 77% | 0.765 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -92.7 | -20.7 | -175.1 | -67.8 | -68.7 | 0 | 0 | 0 | 114.7 | C31 W33 P37 | C31-Y35 HydrophobicContact CB-CD2 4.31Å; C31-Y35 HydrophobicContact CB-CE2 4.36Å; C31-Y35 WeakPolarHBondContact O-CD2 3.39Å; C31-Y35 PolarHBondContact O-N 3.39Å; W33-Y35 VanDerWaalsContact C-N 3.34Å; W33-Y35 PolarHBondContact O-N 2.86Å; Y35-P37 WeakPolarHBondContact O-CD 3.29Å |
| 36 | V | 93.8 | Very high | 93.5 | Very high | 38 Ų | 38 | 86.1 Ų | 86.1 | 23% | 0.23 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -70.5 | 126 | 177.4 | 169.2 | 0 | 0 | 0 | 0 | 110.2 | L32 W40 L41 K52 | L32-V36 HydrophobicContact CG-CG2 4.22Å; L32-V36 VanDerWaalsContact O-CB 3.29Å; L32-V36 WeakPolarHBondContact O-CB 3.34Å; L32-V36 WeakPolarHBondContact O-CG2 3.42Å; L32-V36 PolarHBondContact O-N 3.46Å; V36-W40 HydrophobicContact CG1-CB 4.14Å; V36-L41 HydrophobicContact CG1-CD1 4.09Å; V36-L41 HydrophobicContact CG1-CG 3.97Å; V36-K52 WeakPolarHBondContact O-CE 3.28Å; V36-K52 PolarHBondContact O-NZ 2.85Å |
| 37 | P | 92.7 | Very high | 93.2 | Very high | 62 Ų | 62 | 88 Ų | 88 | 40% | 0.403 | 45% | 0.451 | S | S | . | . | trans | -59.8 | 146.9 | 177.5 | -23.4 | 33.5 | 0 | 0 | 0 | 112.9 | Y35 E39 W40 L41 | Y35-P37 WeakPolarHBondContact O-CD 3.29Å; P37-E39 VanDerWaalsContact C-N 3.27Å; P37-E39 PolarHBondContact O-N 3.45Å; P37-W40 PolarHBondContact O-N 3.3Å; P37-L41 PolarHBondContact O-N 3.44Å | ||
| 38 | E | 91.2 | Very high | 92.7 | Very high | 94 Ų | 94 | 93.1 Ų | 93.1 | 44% | 0.439 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62 | -34.2 | 178.5 | -69.1 | -178.3 | 178.9 | 0 | 0 | 112.5 | W40 L41 H42 K52 | E38-W40 VanDerWaalsContact C-N 3.25Å; E38-W40 PolarHBondContact O-N 3.36Å; E38-L41 WeakPolarHBondContact O-CB 3.14Å; E38-L41 PolarHBondContact O-N 2.92Å; E38-L41 VanDerWaalsContact O-N 3.1Å; E38-H42 WeakPolarHBondContact O-CB 3.31Å; E38-H42 PolarHBondContact O-CD2 3.36Å; E38-H42 VanDerWaalsContact O-CG 3.26Å; E38-H42 PolarHBondContact O-N 2.88Å; E38-K52 HydrophobicContact CG-CG 4.26Å; E38-K52 WeakPolarHBondContact OE1-CG 3.48Å |
| 39 | E | 91.9 | Very high | 92.1 | Very high | 157 Ų | 157 | 92.9 Ų | 92.9 | 73% | 0.734 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -58.3 | -38.1 | 177.3 | -61.4 | -176.6 | -175.8 | 0 | 0 | 112.6 | P37 H42 S43 | P37-E39 VanDerWaalsContact C-N 3.27Å; P37-E39 PolarHBondContact O-N 3.45Å; E39-H42 PolarHBondContact O-N 2.97Å; E39-S43 PolarHBondContact O-N 3.47Å |
| 40 | W | 93.4 | Very high | 91.8 | Very high | 171 Ų | 171 | 92.2 Ų | 92.2 | 65% | 0.648 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -73.3 | -35.6 | 178 | -68.7 | 17.7 | 0 | 0 | 0 | 111.4 | V36 P37 E38 S43 V44 | V36-W40 HydrophobicContact CG1-CB 4.14Å; P37-W40 PolarHBondContact O-N 3.3Å; E38-W40 VanDerWaalsContact C-N 3.25Å; E38-W40 PolarHBondContact O-N 3.36Å; W40-S43 PolarHBondContact O-OG 3.42Å; W40-V44 WeakPolarHBondContact O-CG2 3.29Å; W40-V44 PolarHBondContact O-N 3.03Å |
| 41 | L | 91.3 | Very high | 91.7 | Very high | 22 Ų | 22 | 95.6 Ų | 95.6 | 12% | 0.115 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 172.8 | -75.6 | 150.4 | 0 | 0 | 0 | 110.4 | V36 P37 E38 S43 V44 G45 L46 | V36-L41 HydrophobicContact CG1-CD1 4.09Å; V36-L41 HydrophobicContact CG1-CG 3.97Å; P37-L41 PolarHBondContact O-N 3.44Å; E38-L41 WeakPolarHBondContact O-CB 3.14Å; E38-L41 PolarHBondContact O-N 2.92Å; E38-L41 VanDerWaalsContact O-N 3.1Å; L41-S43 VanDerWaalsContact C-N 3.35Å; L41-S43 PolarHBondContact O-N 3.42Å; L41-V44 PolarHBondContact O-N 2.99Å; L41-G45 PolarHBondContact O-N 3.49Å; L41-L46 HydrophobicContact CB-CB 4.28Å; L41-L46 HydrophobicContact CD2-CB 4.22Å; L41-L46 HydrophobicContact CD2-CD1 3.79Å; L41-L46 WeakPolarHBondContact O-CB 3.48Å; L41-L46 PolarHBondContact O-N 3.19Å |
| 42 | H | 91.6 | Very high | 91.6 | Very high | 96 Ų | 96 | 96.5 Ų | 96.5 | 44% | 0.444 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64 | -37.1 | 178.6 | -69.6 | -178 | 0 | 0 | 0 | 112.5 | E38 E39 V44 G45 L46 | E38-H42 WeakPolarHBondContact O-CB 3.31Å; E38-H42 PolarHBondContact O-CD2 3.36Å; E38-H42 VanDerWaalsContact O-CG 3.26Å; E38-H42 PolarHBondContact O-N 2.88Å; E39-H42 PolarHBondContact O-N 2.97Å; H42-V44 VanDerWaalsContact C-N 3.25Å; H42-V44 PolarHBondContact O-N 3.36Å; H42-G45 PolarHBondContact O-N 2.89Å; H42-L46 PolarHBondContact CD2-O 3.48Å |
| 43 | S | 93.6 | Very high | 91.6 | Very high | 97 Ų | 97 | 97.8 Ų | 97.8 | 68% | 0.678 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66 | -28 | 177.9 | 73.5 | 0 | 0 | 0 | 0 | 113.3 | E39 W40 L41 G45 | E39-S43 PolarHBondContact O-N 3.47Å; W40-S43 PolarHBondContact O-OG 3.42Å; L41-S43 VanDerWaalsContact C-N 3.35Å; L41-S43 PolarHBondContact O-N 3.42Å; S43-G45 VanDerWaalsContact C-N 3.27Å |
| 44 | V | 92.9 | Very high | 91.7 | Very high | 114 Ų | 114 | 101.7 Ų | 101.7 | 69% | 0.691 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 2.5 | 174.6 | -174.2 | 0 | 0 | 0 | 0 | 111.7 | W40 L41 H42 | W40-V44 WeakPolarHBondContact O-CG2 3.29Å; W40-V44 PolarHBondContact O-N 3.03Å; L41-V44 PolarHBondContact O-N 2.99Å; H42-V44 VanDerWaalsContact C-N 3.25Å; H42-V44 PolarHBondContact O-N 3.36Å |
| 45 | G | 92.2 | Very high | 91.7 | Very high | 53 Ų | 53 | 101.6 Ų | 101.6 | 55% | 0.546 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | 11.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L41 H42 S43 T47 | L41-G45 PolarHBondContact O-N 3.49Å; H42-G45 PolarHBondContact O-N 2.89Å; S43-G45 VanDerWaalsContact C-N 3.27Å; G45-T47 PolarHBondContact O-N 3.06Å |
| 46 | L | 89.6 | Confident | 91.8 | Very high | 71 Ų | 71 | 97.5 Ų | 97.5 | 37% | 0.372 | 49% | 0.486 | S | S | . | . | trans | -92.1 | 80.4 | 179.5 | -65.3 | 177.1 | 0 | 0 | 0 | 110.9 | L41 H42 W49 | L41-L46 HydrophobicContact CB-CB 4.28Å; L41-L46 HydrophobicContact CD2-CB 4.22Å; L41-L46 HydrophobicContact CD2-CD1 3.79Å; L41-L46 WeakPolarHBondContact O-CB 3.48Å; L41-L46 PolarHBondContact O-N 3.19Å; H42-L46 PolarHBondContact CD2-O 3.48Å; L46-W49 HydrophobicContact CD1-CZ2 4.08Å | ||
| 47 | T | 88.8 | Confident | 91.9 | Very high | 76 Ų | 76 | 95.8 Ų | 95.8 | 47% | 0.466 | 48% | 0.476 | S | S | . | . | trans | -97.9 | -15.3 | -173.7 | 52.2 | 0 | 0 | 0 | 0 | 115.3 | G45 | G45-T47 PolarHBondContact O-N 3.06Š| ||
| 48 | Y | 85.4 | Confident | 92 | Very high | 224 Ų | 224 | 98.3 Ų | 98.3 | 88% | 0.878 | 48% | 0.484 | S | S | * | . | trans | -112.5 | 50.2 | -175.5 | -62.7 | -79.2 | 0 | 0 | 0 | 112.9 | ||||
| 49 | W | 86.1 | Confident | 92.2 | Very high | 127 Ų | 127 | 96.4 Ų | 96.4 | 48% | 0.481 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -93.3 | 155.7 | 175.8 | -83.5 | 62.6 | 0 | 0 | 0 | 111.8 | W33 L46 | W33-W49 HydrophobicContact CB-CZ3 4.1Å; W33-W49 AromaticContact CD1-CE3 3.08Å; W33-W49 AromaticContact CD1-CZ3 3.24Å; W33-W49 AromaticContact CG-CE3 3.96Å; W33-W49 HydrophobicContact CG-CE3 3.96Å; W33-W49 AromaticContact CG-CZ3 3.74Å; W33-W49 HydrophobicContact CG-CZ3 3.74Å; W33-W49 AromaticContact NE1-CE3 3.31Å; W33-W49 VanDerWaalsContact NE1-CE3 3.31Å; W33-W49 AromaticContact NE1-CZ3 3.92Å; L46-W49 HydrophobicContact CD1-CZ2 4.08Å |
| 50 | P | 89.3 | Confident | 92.5 | Very high | 74 Ų | 74 | 93.1 Ų | 93.1 | 48% | 0.481 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 146.3 | 171.8 | 22.4 | -31.6 | 0 | 0 | 0 | 110.6 | W33 | W33-P50 HydrophobicContact CZ2-CB 4.35Å; W33-P50 HydrophobicContact CZ2-CG 3.92Å; W33-P50 WeakPolarHBondContact CZ2-O 3.36Å |
| 51 | Q | 91.5 | Very high | 92.6 | Very high | 138 Ų | 138 | 91.4 Ų | 91.4 | 65% | 0.645 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 141.5 | 177.8 | -66.6 | 177.2 | -29.6 | 0 | 0 | 111 | Y53 W54 | Q51-Y53 PolarHBondContact O-N 3.36Å; Q51-W54 WeakPolarHBondContact O-CB 3.35Å; Q51-W54 PolarHBondContact O-N 2.87Å |
| 52 | K | 92.7 | Very high | 92.9 | Very high | 48 Ų | 48 | 95.6 Ų | 95.6 | 21% | 0.209 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -22 | 178.9 | -61.9 | -66.1 | -172.3 | -178.3 | 0 | 114.2 | W33 V36 E38 W54 A55 | W33-K52 HydrophobicContact CZ2-CD 4.29Å; W33-K52 PolarHBondContact O-NZ 3.21Å; V36-K52 WeakPolarHBondContact O-CE 3.28Å; V36-K52 PolarHBondContact O-NZ 2.85Å; E38-K52 HydrophobicContact CG-CG 4.26Å; E38-K52 WeakPolarHBondContact OE1-CG 3.48Å; K52-W54 PolarHBondContact O-N 3.37Å; K52-W54 VanDerWaalsContact O-N 3.12Å; K52-A55 WeakPolarHBondContact O-CB 3.3Å; K52-A55 PolarHBondContact O-N 2.87Å |
| 53 | Y | 94.1 | Very high | 93.2 | Very high | 142 Ų | 142 | 96.4 Ų | 96.4 | 56% | 0.557 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | -35.5 | 170.9 | 169.9 | -101.7 | 0 | 0 | 0 | 112.7 | Q51 A55 L56 A57 | Q51-Y53 PolarHBondContact O-N 3.36Å; Y53-A55 PolarHBondContact O-N 3.07Å; Y53-L56 PolarHBondContact O-N 3.27Å; Y53-A57 HydrophobicContact CD1-CB 4.02Å; Y53-A57 HydrophobicContact CE1-CB 3.49Å; Y53-A57 VanDerWaalsContact CE1-CB 3.49Å; Y53-A57 PolarHBondContact O-N 2.88Å |
| 54 | W | 94.5 | Very high | 93.4 | Very high | 109 Ų | 109 | 95.6 Ų | 95.6 | 41% | 0.413 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.3 | -21.7 | 178.2 | -73.2 | 101.9 | 0 | 0 | 0 | 113.7 | W33 Q51 K52 L56 A57 M58 Y61 | W33-W54 HydrophobicContact CH2-CB 4.16Å; Q51-W54 WeakPolarHBondContact O-CB 3.35Å; Q51-W54 PolarHBondContact O-N 2.87Å; K52-W54 PolarHBondContact O-N 3.37Å; K52-W54 VanDerWaalsContact O-N 3.12Å; W54-L56 PolarHBondContact O-N 3.49Å; W54-A57 HydrophobicContact CE3-CB 4.07Å; W54-A57 PolarHBondContact O-N 2.96Å; W54-M58 HydrophobicContact CE3-CG 4.08Å; W54-M58 HydrophobicContact CE3-SD 4.47Å; W54-M58 VanDerWaalsContact O-CB 3.29Å; W54-M58 WeakPolarHBondContact O-CB 3.42Å; W54-M58 WeakPolarHBondContact O-CG 3.45Å; W54-M58 PolarHBondContact O-N 3.24Å; W54-Y61 HydrophobicContact CZ3-CD2 4.46Å; W54-Y61 HydrophobicContact CZ3-CE2 4.32Å |
| 55 | A | 94.9 | Very high | 93.7 | Very high | 25 Ų | 25 | 92.9 Ų | 92.9 | 21% | 0.207 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -66.1 | -20.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y30 W33 A34 K52 Y53 | Y30-A55 WeakPolarHBondContact OH-CA 3.31Å; Y30-A55 PolarHBondContact OH-O 3.41Å; W33-A55 HydrophobicContact CH2-CB 4.06Å; W33-A55 HydrophobicContact CZ3-CB 3.67Å; A34-A55 HydrophobicContact CB-CB 3.9Å; K52-A55 WeakPolarHBondContact O-CB 3.3Å; K52-A55 PolarHBondContact O-N 2.87Å; Y53-A55 PolarHBondContact O-N 3.07Å |
| 56 | L | 95.6 | Very high | 94 | Very high | 110 Ų | 110 | 94.7 Ų | 94.7 | 58% | 0.576 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -100 | -41.9 | 172.5 | -177.8 | 64.4 | 0 | 0 | 0 | 111.1 | Y53 W54 P59 I60 | Y53-L56 PolarHBondContact O-N 3.27Å; W54-L56 PolarHBondContact O-N 3.49Å; L56-P59 WeakPolarHBondContact O-CD 3.4Å; L56-I60 HydrophobicContact CD1-CD1 4.03Å; L56-I60 HydrophobicContact CG-CD1 3.82Å; L56-I60 WeakPolarHBondContact O-CG1 3.24Å; L56-I60 PolarHBondContact O-N 3.39Å |
| 57 | A | 96.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 97.1 Ų | 97.1 | 2% | 0.017 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -65.3 | -42.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y53 W54 I60 Y61 | Y53-A57 HydrophobicContact CD1-CB 4.02Å; Y53-A57 HydrophobicContact CE1-CB 3.49Å; Y53-A57 VanDerWaalsContact CE1-CB 3.49Å; Y53-A57 PolarHBondContact O-N 2.88Å; W54-A57 HydrophobicContact CE3-CB 4.07Å; W54-A57 PolarHBondContact O-N 2.96Å; A57-I60 PolarHBondContact O-N 2.8Å; A57-Y61 HydrophobicContact CB-CD2 4.09Å; A57-Y61 HydrophobicContact CB-CE2 3.98Å; A57-Y61 WeakPolarHBondContact O-CD2 3.46Å; A57-Y61 PolarHBondContact O-N 3.36Å |
| 58 | M | 94.7 | Very high | 94.8 | Very high | 115 Ų | 115 | 97.5 Ų | 97.5 | 57% | 0.567 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.1 | -52.1 | -178.7 | -78.2 | -77.8 | -83.9 | 0 | 0 | 112.6 | W54 I60 Y61 L62 | W54-M58 HydrophobicContact CE3-CG 4.08Å; W54-M58 HydrophobicContact CE3-SD 4.47Å; W54-M58 VanDerWaalsContact O-CB 3.29Å; W54-M58 WeakPolarHBondContact O-CB 3.42Å; W54-M58 WeakPolarHBondContact O-CG 3.45Å; W54-M58 PolarHBondContact O-N 3.24Å; M58-I60 VanDerWaalsContact C-N 3.32Å; M58-I60 PolarHBondContact O-N 3.48Å; M58-Y61 PolarHBondContact O-N 2.99Å; M58-L62 WeakPolarHBondContact O-CB 3.08Å; M58-L62 PolarHBondContact O-N 2.9Å |
| 59 | P | 95.4 | Very high | 95.4 | Very high | 54 Ų | 54 | 89.8 Ų | 89.8 | 35% | 0.351 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.2 | -40.9 | 174.7 | -26.2 | 32 | 0 | 0 | 0 | 113.9 | Y30 L56 L62 L63 | Y30-P59 WeakPolarHBondContact OH-CD 3.47Å; Y30-P59 WeakPolarHBondContact OH-CG 3.46Å; L56-P59 WeakPolarHBondContact O-CD 3.4Å; P59-L62 PolarHBondContact O-N 3.19Å; P59-L63 WeakPolarHBondContact O-CG 3.24Å; P59-L63 PolarHBondContact O-N 2.99Å |
| 60 | I | 97.6 | Very high | 96 | Very high | 87 Ų | 87 | 87.8 Ų | 87.8 | 45% | 0.446 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.4 | -47.1 | -180 | -65.2 | 171.2 | 0 | 0 | 0 | 110.5 | L56 A57 M58 L62 L63 V64 | L56-I60 HydrophobicContact CD1-CD1 4.03Å; L56-I60 HydrophobicContact CG-CD1 3.82Å; L56-I60 WeakPolarHBondContact O-CG1 3.24Å; L56-I60 PolarHBondContact O-N 3.39Å; A57-I60 PolarHBondContact O-N 2.8Å; M58-I60 VanDerWaalsContact C-N 3.32Å; M58-I60 PolarHBondContact O-N 3.48Å; I60-L62 VanDerWaalsContact C-N 3.29Å; I60-L62 PolarHBondContact O-N 2.98Å; I60-L63 PolarHBondContact O-N 2.89Å; I60-V64 HydrophobicContact CG2-CG2 4.49Å; I60-V64 WeakPolarHBondContact O-CG2 3.04Å; I60-V64 PolarHBondContact O-N 3.44Å |
| 61 | Y | 97.3 | Very high | 96.4 | Very high | 136 Ų | 136 | 89 Ų | 89 | 53% | 0.533 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.9 | -37.1 | 176.6 | -78.1 | -61.1 | 0 | 0 | 0 | 112.2 | W54 A57 M58 V64 A65 | W54-Y61 HydrophobicContact CZ3-CD2 4.46Å; W54-Y61 HydrophobicContact CZ3-CE2 4.32Å; A57-Y61 HydrophobicContact CB-CD2 4.09Å; A57-Y61 HydrophobicContact CB-CE2 3.98Å; A57-Y61 WeakPolarHBondContact O-CD2 3.46Å; A57-Y61 PolarHBondContact O-N 3.36Å; M58-Y61 PolarHBondContact O-N 2.99Å; Y61-V64 PolarHBondContact O-N 3.24Å; Y61-A65 VanDerWaalsContact O-CB 3.28Å; Y61-A65 WeakPolarHBondContact O-CB 3.35Å; Y61-A65 PolarHBondContact O-N 3.28Å |
| 62 | L | 96.5 | Very high | 96.7 | Very high | 109 Ų | 109 | 86.2 Ų | 86.2 | 57% | 0.571 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.8 | -47.1 | 173.9 | -179 | 66 | 0 | 0 | 0 | 111.2 | M58 P59 I60 V64 A65 L66 | M58-L62 WeakPolarHBondContact O-CB 3.08Å; M58-L62 PolarHBondContact O-N 2.9Å; P59-L62 PolarHBondContact O-N 3.19Å; I60-L62 VanDerWaalsContact C-N 3.29Å; I60-L62 PolarHBondContact O-N 2.98Å; L62-V64 PolarHBondContact O-N 2.65Å; L62-A65 PolarHBondContact O-N 2.97Å; L62-L66 HydrophobicContact CG-CD1 4.32Å; L62-L66 VanDerWaalsContact O-CG 3.3Å; L62-L66 WeakPolarHBondContact O-CG 3.33Å; L62-L66 PolarHBondContact O-N 3.13Å |
| 63 | L | 98.1 | Very high | 97 | Very high | 113 Ų | 113 | 88.1 Ų | 88.1 | 59% | 0.592 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.6 | -44.1 | 176.9 | -70.6 | 174.4 | 0 | 0 | 0 | 111.8 | P59 I60 A65 L66 M67 | P59-L63 WeakPolarHBondContact O-CG 3.24Å; P59-L63 PolarHBondContact O-N 2.99Å; I60-L63 PolarHBondContact O-N 2.89Å; L63-A65 PolarHBondContact O-N 3.42Å; L63-L66 PolarHBondContact O-N 3.48Å; L63-M67 WeakPolarHBondContact O-CG 3.4Å; L63-M67 PolarHBondContact O-N 3.45Å |
| 64 | V | 98.3 | Very high | 97.1 | Very high | 80 Ų | 80 | 88.2 Ų | 88.2 | 49% | 0.485 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 176.3 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | I60 Y61 L62 L66 M67 V68 | I60-V64 HydrophobicContact CG2-CG2 4.49Å; I60-V64 WeakPolarHBondContact O-CG2 3.04Å; I60-V64 PolarHBondContact O-N 3.44Å; Y61-V64 PolarHBondContact O-N 3.24Å; L62-V64 PolarHBondContact O-N 2.65Å; V64-L66 VanDerWaalsContact C-N 3.34Å; V64-L66 PolarHBondContact O-N 2.86Å; V64-M67 PolarHBondContact O-N 3.39Å; V64-V68 HydrophobicContact CG1-CG2 4.3Å; V64-V68 WeakPolarHBondContact O-CB 3.44Å; V64-V68 VanDerWaalsContact O-CG2 3.29Å; V64-V68 WeakPolarHBondContact O-CG2 3.49Å; V64-V68 PolarHBondContact O-N 2.92Å |
| 65 | A | 98.2 | Very high | 97.1 | Very high | 57 Ų | 57 | 85 Ų | 85 | 47% | 0.471 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y61 L62 L63 V68 S69 | Y61-A65 VanDerWaalsContact O-CB 3.28Å; Y61-A65 WeakPolarHBondContact O-CB 3.35Å; Y61-A65 PolarHBondContact O-N 3.28Å; L62-A65 PolarHBondContact O-N 2.97Å; L63-A65 PolarHBondContact O-N 3.42Å; A65-V68 PolarHBondContact O-N 2.97Å; A65-S69 WeakPolarHBondContact O-CB 3.4Å; A65-S69 PolarHBondContact O-N 2.9Å; A65-S69 PolarHBondContact O-OG 2.91Å |
| 66 | L | 98.1 | Very high | 97.2 | Very high | 92 Ų | 92 | 87.8 Ų | 87.8 | 48% | 0.482 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 174.1 | -71 | 173.7 | 0 | 0 | 0 | 112 | L62 L63 V64 S69 L70 | L62-L66 HydrophobicContact CG-CD1 4.32Å; L62-L66 VanDerWaalsContact O-CG 3.3Å; L62-L66 WeakPolarHBondContact O-CG 3.33Å; L62-L66 PolarHBondContact O-N 3.13Å; L63-L66 PolarHBondContact O-N 3.48Å; V64-L66 VanDerWaalsContact C-N 3.34Å; V64-L66 PolarHBondContact O-N 2.86Å; L66-S69 PolarHBondContact O-N 2.92Å; L66-S69 PolarHBondContact O-OG 3.4Å; L66-L70 WeakPolarHBondContact O-CG 3.16Å; L66-L70 PolarHBondContact O-N 3.04Å |
| 67 | M | 98.3 | Very high | 97.2 | Very high | 122 Ų | 122 | 86.2 Ų | 86.2 | 60% | 0.601 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.6 | -44.4 | 176.5 | -70.6 | -58.7 | -63.2 | 0 | 0 | 111.6 | L63 V64 S69 L70 V71 | L63-M67 WeakPolarHBondContact O-CG 3.4Å; L63-M67 PolarHBondContact O-N 3.45Å; V64-M67 PolarHBondContact O-N 3.39Å; M67-S69 VanDerWaalsContact C-N 3.35Å; M67-L70 PolarHBondContact O-N 2.75Å; M67-V71 WeakPolarHBondContact O-CG2 3.34Å; M67-V71 PolarHBondContact O-N 2.92Å |
| 68 | V | 98.4 | Very high | 97 | Very high | 84 Ų | 84 | 92.4 Ų | 92.4 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 176.7 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | V64 A65 L70 V71 V72 | V64-V68 HydrophobicContact CG1-CG2 4.3Å; V64-V68 WeakPolarHBondContact O-CB 3.44Å; V64-V68 VanDerWaalsContact O-CG2 3.29Å; V64-V68 WeakPolarHBondContact O-CG2 3.49Å; V64-V68 PolarHBondContact O-N 2.92Å; A65-V68 PolarHBondContact O-N 2.97Å; V68-L70 VanDerWaalsContact C-N 3.33Å; V68-L70 PolarHBondContact O-N 3.4Å; V68-V71 PolarHBondContact O-N 3.29Å; V68-V72 HydrophobicContact CG1-CG2 4.26Å; V68-V72 WeakPolarHBondContact O-CB 3.35Å; V68-V72 VanDerWaalsContact O-CG2 3.31Å; V68-V72 WeakPolarHBondContact O-CG2 3.21Å; V68-V72 PolarHBondContact O-N 3.47Å |
| 69 | S | 98.2 | Very high | 97 | Very high | 62 Ų | 62 | 93.3 Ų | 93.3 | 43% | 0.434 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 179.2 | 72.5 | 0 | 0 | 0 | 0 | 112.2 | A65 L66 M67 V72 L73 | A65-S69 WeakPolarHBondContact O-CB 3.4Å; A65-S69 PolarHBondContact O-N 2.9Å; A65-S69 PolarHBondContact O-OG 2.91Å; L66-S69 PolarHBondContact O-N 2.92Å; L66-S69 PolarHBondContact O-OG 3.4Å; M67-S69 VanDerWaalsContact C-N 3.35Å; S69-V72 PolarHBondContact O-N 3.47Å; S69-L73 VanDerWaalsContact O-CB 3.24Å; S69-L73 WeakPolarHBondContact O-CB 3.33Å; S69-L73 PolarHBondContact O-N 2.87Å |
| 70 | L | 97.9 | Very high | 97 | Very high | 84 Ų | 84 | 96.5 Ų | 96.5 | 44% | 0.44 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 173.3 | -70.7 | 176.3 | 0 | 0 | 0 | 111.7 | L66 M67 V68 V72 L73 F74 | L66-L70 WeakPolarHBondContact O-CG 3.16Å; L66-L70 PolarHBondContact O-N 3.04Å; M67-L70 PolarHBondContact O-N 2.75Å; V68-L70 VanDerWaalsContact C-N 3.33Å; V68-L70 PolarHBondContact O-N 3.4Å; L70-V72 VanDerWaalsContact C-N 3.32Å; L70-V72 PolarHBondContact O-N 3.2Å; L70-L73 WeakPolarHBondContact O-CB 3.45Å; L70-L73 PolarHBondContact O-N 2.91Å; L70-F74 WeakPolarHBondContact O-CD2 3.32Å; L70-F74 PolarHBondContact O-N 3.42Å |
| 71 | V | 98.3 | Very high | 96.7 | Very high | 101 Ų | 101 | 96 Ų | 96 | 61% | 0.612 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.4 | -44.9 | 178 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | M67 V68 F74 G75 | M67-V71 WeakPolarHBondContact O-CG2 3.34Å; M67-V71 PolarHBondContact O-N 2.92Å; V68-V71 PolarHBondContact O-N 3.29Å; V71-F74 PolarHBondContact O-N 3.39Å; V71-G75 PolarHBondContact O-N 3.41Å |
| 72 | V | 98.3 | Very high | 96.5 | Very high | 78 Ų | 78 | 91 Ų | 91 | 47% | 0.473 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 176.9 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | V68 S69 L70 F74 G75 I76 | V68-V72 HydrophobicContact CG1-CG2 4.26Å; V68-V72 WeakPolarHBondContact O-CB 3.35Å; V68-V72 VanDerWaalsContact O-CG2 3.31Å; V68-V72 WeakPolarHBondContact O-CG2 3.21Å; V68-V72 PolarHBondContact O-N 3.47Å; S69-V72 PolarHBondContact O-N 3.47Å; L70-V72 VanDerWaalsContact C-N 3.32Å; L70-V72 PolarHBondContact O-N 3.2Å; V72-F74 PolarHBondContact O-N 3.17Å; V72-G75 PolarHBondContact O-N 3.3Å; V72-I76 HydrophobicContact CG1-CD1 3.72Å; V72-I76 HydrophobicContact CG1-CG1 4.32Å; V72-I76 WeakPolarHBondContact O-CG1 3.29Å; V72-I76 PolarHBondContact O-N 3.28Å |
| 73 | L | 97.6 | Very high | 96.3 | Very high | 88 Ų | 88 | 90 Ų | 90 | 46% | 0.461 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 176.6 | 179.8 | 64.9 | 0 | 0 | 0 | 111.4 | S69 L70 G75 I76 N77 | S69-L73 VanDerWaalsContact O-CB 3.24Å; S69-L73 WeakPolarHBondContact O-CB 3.33Å; S69-L73 PolarHBondContact O-N 2.87Å; L70-L73 WeakPolarHBondContact O-CB 3.45Å; L70-L73 PolarHBondContact O-N 2.91Å; L73-G75 VanDerWaalsContact C-N 3.35Å; L73-G75 PolarHBondContact O-N 2.89Å; L73-I76 PolarHBondContact O-N 3.05Å; L73-N77 WeakPolarHBondContact O-CB 3.5Å; L73-N77 VanDerWaalsContact O-CG 3.24Å; L73-N77 PolarHBondContact O-N 2.9Å; L73-N77 PolarHBondContact O-ND2 3.45Å |
| 74 | F | 96.1 | Very high | 95.9 | Very high | 145 Ų | 145 | 92.2 Ų | 92.2 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.4 | -43.9 | 174.2 | -79.7 | -66.1 | 0 | 0 | 0 | 111.9 | L70 V71 V72 N77 M78 | L70-F74 WeakPolarHBondContact O-CD2 3.32Å; L70-F74 PolarHBondContact O-N 3.42Å; V71-F74 PolarHBondContact O-N 3.39Å; V72-F74 PolarHBondContact O-N 3.17Å; F74-N77 PolarHBondContact O-N 3.44Å; F74-M78 WeakPolarHBondContact O-CB 3.34Å; F74-M78 PolarHBondContact O-N 2.75Å |
| 75 | G | 95.9 | Very high | 95.5 | Very high | 40 Ų | 40 | 95.5 Ų | 95.5 | 41% | 0.412 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V71 V72 L73 M78 N79 | V71-G75 PolarHBondContact O-N 3.41Å; V72-G75 PolarHBondContact O-N 3.3Å; L73-G75 VanDerWaalsContact C-N 3.35Å; L73-G75 PolarHBondContact O-N 2.89Å; G75-M78 PolarHBondContact O-N 2.85Å; G75-N79 WeakPolarHBondContact O-CB 3.12Å; G75-N79 PolarHBondContact O-N 3.14Å |
| 76 | I | 96.9 | Very high | 95.1 | Very high | 85 Ų | 85 | 94.1 Ų | 94.1 | 44% | 0.436 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 176.8 | -68 | 169.2 | 0 | 0 | 0 | 110.8 | V72 L73 M78 N79 N80 | V72-I76 HydrophobicContact CG1-CD1 3.72Å; V72-I76 HydrophobicContact CG1-CG1 4.32Å; V72-I76 WeakPolarHBondContact O-CG1 3.29Å; V72-I76 PolarHBondContact O-N 3.28Å; L73-I76 PolarHBondContact O-N 3.05Å; I76-M78 VanDerWaalsContact C-N 3.32Å; I76-M78 PolarHBondContact O-N 3.32Å; I76-N79 PolarHBondContact O-N 2.76Å; I76-N80 WeakPolarHBondContact CG2-ND2 3.37Å; I76-N80 WeakPolarHBondContact O-CB 3.39Å; I76-N80 VanDerWaalsContact O-CG 3.3Å; I76-N80 PolarHBondContact O-N 3.4Å; I76-N80 PolarHBondContact O-ND2 3.25Å |
| 77 | N | 95 | Very high | 94.6 | Very high | 77 Ų | 77 | 94.2 Ų | 94.2 | 41% | 0.412 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 177.9 | -75.6 | -24.8 | 0 | 0 | 0 | 111.1 | L73 F74 N79 N80 T81 | L73-N77 WeakPolarHBondContact O-CB 3.5Å; L73-N77 VanDerWaalsContact O-CG 3.24Å; L73-N77 PolarHBondContact O-N 2.9Å; L73-N77 PolarHBondContact O-ND2 3.45Å; F74-N77 PolarHBondContact O-N 3.44Å; N77-N79 VanDerWaalsContact C-N 3.32Å; N77-N79 PolarHBondContact O-N 2.99Å; N77-N80 PolarHBondContact O-N 3.15Å; N77-T81 VanDerWaalsContact O-CB 3.29Å; N77-T81 WeakPolarHBondContact O-CB 3.13Å; N77-T81 PolarHBondContact O-N 3.3Å; N77-T81 PolarHBondContact O-OG1 3.4Å |
| 78 | M | 92.4 | Very high | 94.3 | Very high | 131 Ų | 131 | 93.4 Ų | 93.4 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.4 | -33.9 | 179.2 | -164.7 | 153.2 | 69.8 | 0 | 0 | 112.2 | F74 G75 I76 N80 | F74-M78 WeakPolarHBondContact O-CB 3.34Å; F74-M78 PolarHBondContact O-N 2.75Å; G75-M78 PolarHBondContact O-N 2.85Å; I76-M78 VanDerWaalsContact C-N 3.32Å; I76-M78 PolarHBondContact O-N 3.32Å; M78-N80 VanDerWaalsContact C-N 3.32Å |
| 79 | N | 95.1 | Very high | 93.9 | Very high | 134 Ų | 134 | 92.6 Ų | 92.6 | 72% | 0.717 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.8 | -28.4 | 174.1 | -174.3 | 67.9 | 0 | 0 | 0 | 113.2 | G75 I76 N77 | G75-N79 WeakPolarHBondContact O-CB 3.12Å; G75-N79 PolarHBondContact O-N 3.14Å; I76-N79 PolarHBondContact O-N 2.76Å; N77-N79 VanDerWaalsContact C-N 3.32Å; N77-N79 PolarHBondContact O-N 2.99Å |
| 80 | N | 94.7 | Very high | 93.4 | Very high | 121 Ų | 121 | 96.8 Ų | 96.8 | 65% | 0.647 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -95.2 | -5.5 | -179.1 | -67.4 | -19 | 0 | 0 | 0 | 113.6 | I76 N77 M78 | I76-N80 WeakPolarHBondContact CG2-ND2 3.37Å; I76-N80 WeakPolarHBondContact O-CB 3.39Å; I76-N80 VanDerWaalsContact O-CG 3.3Å; I76-N80 PolarHBondContact O-N 3.4Å; I76-N80 PolarHBondContact O-ND2 3.25Å; N77-N80 PolarHBondContact O-N 3.15Å; M78-N80 VanDerWaalsContact C-N 3.32Å |
| 81 | T | 92.4 | Very high | 93 | Very high | 78 Ų | 78 | 95.6 Ų | 95.6 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -102 | 156.2 | -179.4 | -55.8 | 0 | 0 | 0 | 0 | 109.5 | N77 N89 | N77-T81 VanDerWaalsContact O-CB 3.29Å; N77-T81 WeakPolarHBondContact O-CB 3.13Å; N77-T81 PolarHBondContact O-N 3.3Å; N77-T81 PolarHBondContact O-OG1 3.4Å; T81-N89 WeakPolarHBondContact CG2-OD1 3.43Å |
| 82 | A | 92.5 | Very high | 92.7 | Very high | 31 Ų | 31 | 95.6 Ų | 95.6 | 26% | 0.256 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 156.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D88 | A82-D88 HydrophobicContact CB-CB 4.01Š|
| 83 | P | 92.3 | Very high | 92.2 | Very high | 88 Ų | 88 | 98.7 Ų | 98.7 | 57% | 0.571 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -48.6 | 145.8 | 171.9 | -28.3 | 36.6 | 0 | 0 | 0 | 111.7 | D85 S86 N89 | P83-D85 WeakPolarHBondContact CB-OD1 3.37Å; P83-D85 PolarHBondContact O-N 3.49Å; P83-S86 WeakPolarHBondContact O-CB 3.49Å; P83-S86 PolarHBondContact O-N 3.12Å; P83-N89 PolarHBondContact O-ND2 3.22Å |
| 84 | L | 88.9 | Confident | 91.7 | Very high | 159 Ų | 159 | 103 Ų | 103 | 83% | 0.832 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -23 | -172.4 | -66.7 | 173.8 | 0 | 0 | 0 | 114.1 | ||
| 85 | D | 90.4 | Very high | 91.3 | Very high | 148 Ų | 148 | 98.2 Ų | 98.2 | 79% | 0.791 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -4.5 | 177.7 | 60.3 | -27.5 | 0 | 0 | 0 | 113.7 | P83 | P83-D85 WeakPolarHBondContact CB-OD1 3.37Å; P83-D85 PolarHBondContact O-N 3.49Å |
| 86 | S | 90.5 | Very high | 90.4 | Very high | 29 Ų | 29 | 105.4 Ų | 105.4 | 20% | 0.203 | 58% | 0.575 | C | S | . | * | trans | -76 | 134.6 | 177.9 | -172.3 | 0 | 0 | 0 | 0 | 111.8 | P83 D88 N89 | P83-S86 WeakPolarHBondContact O-CB 3.49Å; P83-S86 PolarHBondContact O-N 3.12Å; S86-D88 PolarHBondContact O-N 3.48Å; S86-D88 WeakPolarHBondContact OG-CB 3.42Å; S86-D88 PolarHBondContact OG-N 3.27Å; S86-D88 VanDerWaalsContact OG-N 3.14Å; S86-D88 PolarHBondContact OG-OD2 3.17Å; S86-N89 PolarHBondContact O-N 3.05Å; S86-N89 PolarHBondContact O-ND2 3.02Å | ||
| 87 | V | 87.6 | Confident | 89.3 | Confident | 93 Ų | 93 | 104.3 Ų | 104.3 | 56% | 0.564 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -61.7 | -21.4 | 169 | -64.2 | 0 | 0 | 0 | 0 | 112.3 | N89 I90 T91 | V87-N89 PolarHBondContact O-N 3Å; V87-I90 WeakPolarHBondContact O-CG1 3.18Å; V87-I90 PolarHBondContact O-N 2.98Å; V87-T91 HydrophobicContact CB-CG2 4.47Å; V87-T91 PolarHBondContact O-N 3.23Å; V87-T91 PolarHBondContact O-OG1 2.95Å |
| 88 | D | 90.2 | Very high | 88 | Confident | 106 Ų | 106 | 105.4 Ų | 105.4 | 57% | 0.567 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -60.6 | -19 | 177.7 | -57.5 | -37.3 | 0 | 0 | 0 | 112.8 | A82 S86 I90 | A82-D88 HydrophobicContact CB-CB 4.01Å; S86-D88 PolarHBondContact O-N 3.48Å; S86-D88 WeakPolarHBondContact OG-CB 3.42Å; S86-D88 PolarHBondContact OG-N 3.27Å; S86-D88 VanDerWaalsContact OG-N 3.14Å; S86-D88 PolarHBondContact OG-OD2 3.17Å; D88-I90 PolarHBondContact O-N 3.15Å |
| 89 | N | 90.6 | Very high | 86.7 | Confident | 66 Ų | 66 | 109 Ų | 109 | 35% | 0.353 | 59% | 0.593 | S | S | . | * | G | 310 helix | trans | -70.4 | -18.3 | 173.5 | -67.1 | -66.1 | 0 | 0 | 0 | 113.6 | T81 P83 S86 V87 | T81-N89 WeakPolarHBondContact CG2-OD1 3.43Å; P83-N89 PolarHBondContact O-ND2 3.22Å; S86-N89 PolarHBondContact O-N 3.05Å; S86-N89 PolarHBondContact O-ND2 3.02Å; V87-N89 PolarHBondContact O-N 3Å |
| 90 | I | 89 | Confident | 85.1 | Confident | 150 Ų | 150 | 108.1 Ų | 108.1 | 77% | 0.769 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126 | -7.6 | -177.3 | 61.8 | 168.1 | 0 | 0 | 0 | 113.3 | V87 D88 | V87-I90 WeakPolarHBondContact O-CG1 3.18Å; V87-I90 PolarHBondContact O-N 2.98Å; D88-I90 PolarHBondContact O-N 3.15Å |
| 91 | T | 88.9 | Confident | 83.5 | Confident | 59 Ų | 59 | 107.5 Ų | 107.5 | 36% | 0.362 | 59% | 0.594 | S | S | . | * | trans | -113.8 | 145.5 | 178.2 | 60.4 | 0 | 0 | 0 | 0 | 111.6 | V87 A95 | V87-T91 HydrophobicContact CB-CG2 4.47Å; V87-T91 PolarHBondContact O-N 3.23Å; V87-T91 PolarHBondContact O-OG1 2.95Å; T91-A95 HydrophobicContact CG2-CB 4.12Å | ||
| 92 | D | 90.8 | Very high | 81.8 | Confident | 101 Ų | 101 | 109.9 Ų | 109.9 | 54% | 0.54 | 61% | 0.613 | S | S | . | * | trans | -120.1 | -171.6 | 173.6 | 75.7 | -8 | 0 | 0 | 0 | 111.7 | F94 A95 | D92-F94 PolarHBondContact O-N 2.98Å; D92-F94 WeakPolarHBondContact OD1-CA 3.45Å; D92-F94 WeakPolarHBondContact OD1-CB 3.48Å; D92-F94 PolarHBondContact OD1-N 2.98Å; D92-F94 WeakPolarHBondContact OD2-CD2 3.32Å; D92-A95 VanDerWaalsContact O-CB 3.29Å; D92-A95 WeakPolarHBondContact O-CB 3.29Å; D92-A95 PolarHBondContact O-N 3.16Å; D92-A95 VanDerWaalsContact O-N 3.15Å; D92-A95 PolarHBondContact OD1-N 3.01Å | ||
| 93 | V | 89 | Confident | 80.4 | Confident | 144 Ų | 144 | 116.3 Ų | 116.3 | 87% | 0.873 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -20 | 179.5 | -174.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 94 | F | 87.1 | Confident | 79.1 | Confident | 177 Ų | 177 | 122.6 Ų | 122.6 | 78% | 0.776 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -13.3 | 178 | -57.8 | -73 | 0 | 0 | 0 | 112.5 | D92 Q96 | D92-F94 PolarHBondContact O-N 2.98Å; D92-F94 WeakPolarHBondContact OD1-CA 3.45Å; D92-F94 WeakPolarHBondContact OD1-CB 3.48Å; D92-F94 PolarHBondContact OD1-N 2.98Å; D92-F94 WeakPolarHBondContact OD2-CD2 3.32Å; F94-Q96 PolarHBondContact O-N 2.91Å; F94-Q96 VanDerWaalsContact O-N 3.16Å |
| 95 | A | 86.2 | Confident | 78.1 | Confident | 46 Ų | 46 | 124.5 Ų | 124.5 | 38% | 0.38 | 65% | 0.645 | S | S | . | * | trans | -61.2 | 117.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | T91 D92 G97 | T91-A95 HydrophobicContact CG2-CB 4.12Å; D92-A95 VanDerWaalsContact O-CB 3.29Å; D92-A95 WeakPolarHBondContact O-CB 3.29Å; D92-A95 PolarHBondContact O-N 3.16Å; D92-A95 VanDerWaalsContact O-N 3.15Å; D92-A95 PolarHBondContact OD1-N 3.01Å; A95-G97 PolarHBondContact O-N 3.03Å | ||
| 96 | Q | 78.6 | Confident | 77.3 | Confident | 191 Ų | 191 | 121.3 Ų | 121.3 | 89% | 0.893 | 65% | 0.647 | S | S | * | * | trans | -91.1 | 99.9 | 172.6 | -63.5 | -173.2 | 13.1 | 0 | 0 | 107.8 | F94 | F94-Q96 PolarHBondContact O-N 2.91Å; F94-Q96 VanDerWaalsContact O-N 3.16Å | ||
| 97 | G | 72.9 | Confident | 76.6 | Confident | 61 Ų | 61 | 121.6 Ų | 121.6 | 63% | 0.629 | 66% | 0.655 | S | S | * | * | trans | -58.9 | 151.4 | 170 | 0 | 0 | 0 | 0 | 0 | 110.8 | A95 R99 | A95-G97 PolarHBondContact O-N 3.03Å; G97-R99 VanDerWaalsContact C-N 3.31Å; G97-R99 PolarHBondContact O-N 3.47Å | ||
| 98 | Q | 68 | Low | 76.1 | Confident | 100 Ų | 100 | 125.1 Ų | 125.1 | 47% | 0.467 | 67% | 0.669 | S | S | . | * | trans | -63.1 | 96.6 | 167.1 | -68.7 | 173.5 | -92.5 | 0 | 0 | 108.2 | S100 D113 | Q98-S100 PolarHBondContact O-N 2.86Å; Q98-D113 PolarHBondContact NE2-O 3.49Å; Q98-D113 PolarHBondContact OE1-O 3.04Å | ||
| 99 | R | 65.8 | Low | 75.3 | Confident | 206 Ų | 206 | 124.2 Ų | 124.2 | 78% | 0.777 | 67% | 0.668 | S | S | * | * | trans | -66.2 | 119.3 | 171.6 | -72.9 | -174.7 | 174.4 | -177.1 | -0.8 | 107.3 | G97 D101 | G97-R99 VanDerWaalsContact C-N 3.31Å; G97-R99 PolarHBondContact O-N 3.47Å; R99-D101 PolarHBondContact O-N 3.22Å | ||
| 100 | S | 61 | Low | 74.4 | Confident | 117 Ų | 117 | 131 Ų | 131 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | -67.5 | 66.3 | 165.2 | -45.4 | 0 | 0 | 0 | 0 | 109.1 | Q98 | Q98-S100 PolarHBondContact O-N 2.86Š| ||
| 101 | D | 60.1 | Low | 73.9 | Confident | 108 Ų | 108 | 132.4 Ų | 132.4 | 58% | 0.578 | 70% | 0.697 | S | S | * | * | trans | -63.1 | 139 | 170.6 | -78.9 | -29 | 0 | 0 | 0 | 108.3 | R99 Y103 | R99-D101 PolarHBondContact O-N 3.22Å; D101-Y103 PolarHBondContact O-N 3.22Å; D101-Y103 VanDerWaalsContact O-N 3.09Å | ||
| 102 | C | 57.4 | Low | 73.4 | Confident | 128 Ų | 128 | 134.5 Ų | 134.5 | 87% | 0.865 | 70% | 0.703 | S | S | * | * | trans | -45.5 | 119.8 | 177.8 | -93.5 | 0 | 0 | 0 | 0 | 110.9 | R104 | C102-R104 PolarHBondContact O-N 2.9Š| ||
| 103 | Y | 63.6 | Low | 73 | Confident | 166 Ų | 166 | 136 Ų | 136 | 65% | 0.651 | 71% | 0.711 | S | S | * | * | trans | -46.9 | 108.2 | 171.2 | -179.6 | -96.1 | 0 | 0 | 0 | 109.5 | D101 K105 | D101-Y103 PolarHBondContact O-N 3.22Å; D101-Y103 VanDerWaalsContact O-N 3.09Å; Y103-K105 PolarHBondContact O-N 3.41Å | ||
| 104 | R | 63.9 | Low | 72.6 | Confident | 219 Ų | 219 | 133 Ų | 133 | 83% | 0.826 | 69% | 0.693 | S | S | * | * | trans | -75 | 98.7 | 178.4 | -160.5 | 167.3 | -170 | 156.3 | 1.3 | 106.9 | C102 G106 G107 | C102-R104 PolarHBondContact O-N 2.9Å; R104-G106 PolarHBondContact O-N 3.45Å; R104-G107 PolarHBondContact O-N 2.83Å | ||
| 105 | K | 67.8 | Low | 72.4 | Confident | 200 Ų | 200 | 127.2 Ų | 127.2 | 87% | 0.87 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.2 | 112.1 | -177 | -167 | 174.7 | -176 | 178 | 0 | 110.1 | Y103 | Y103-K105 PolarHBondContact O-N 3.41Š|
| 106 | G | 73.6 | Confident | 72.5 | Confident | 81 Ų | 81 | 130.6 Ų | 130.6 | 84% | 0.835 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100 | -0.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | R104 | R104-G106 PolarHBondContact O-N 3.45Š|
| 107 | G | 77.6 | Confident | 72.9 | Confident | 35 Ų | 35 | 125.6 Ų | 125.6 | 36% | 0.361 | 67% | 0.671 | S | S | . | * | S | Bend | trans | -93.5 | 158.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R104 | R104-G107 PolarHBondContact O-N 2.83Š|
| 108 | I | 76.2 | Confident | 73.6 | Confident | 167 Ų | 167 | 128.1 Ų | 128.1 | 86% | 0.856 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 127.2 | 168.8 | -59.7 | 169.7 | 0 | 0 | 0 | 107.5 | ||
| 109 | P | 72.8 | Confident | 74.6 | Confident | 86 Ų | 86 | 125.5 Ų | 125.5 | 56% | 0.558 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 148.3 | 178.4 | 26.3 | -33.2 | 0 | 0 | 0 | 110.5 | ||
| 110 | R | 72.8 | Confident | 75.9 | Confident | 208 Ų | 208 | 118.9 Ų | 118.9 | 79% | 0.785 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 150.9 | 173 | -77 | -175.1 | 160.4 | -154.5 | -5.2 | 109.6 | E112 | R110-E112 PolarHBondContact O-N 3.48Š|
| 111 | L | 77.5 | Confident | 77.2 | Confident | 180 Ų | 180 | 120.4 Ų | 120.4 | 94% | 0.942 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 120.9 | 169.5 | -175.5 | 66.2 | 0 | 0 | 0 | 107.9 | ||
| 112 | E | 79.7 | Confident | 78.5 | Confident | 103 Ų | 103 | 121.8 Ų | 121.8 | 48% | 0.481 | 63% | 0.634 | S | S | . | * | trans | -144.7 | 145.1 | -175.6 | 86.2 | -179.4 | 145.3 | 0 | 0 | 108.4 | R110 V114 | R110-E112 PolarHBondContact O-N 3.48Å; E112-V114 PolarHBondContact O-N 3.28Å | ||
| 113 | D | 80.7 | Confident | 80 | Confident | 134 Ų | 134 | 122.6 Ų | 122.6 | 72% | 0.717 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 120.9 | 173.3 | -64.9 | -28.4 | 0 | 0 | 0 | 109.6 | Q98 | Q98-D113 PolarHBondContact NE2-O 3.49Å; Q98-D113 PolarHBondContact OE1-O 3.04Å |
| 114 | V | 81.3 | Confident | 81 | Confident | 80 Ų | 80 | 123.1 Ų | 123.1 | 49% | 0.485 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -89.7 | 136.7 | 176.1 | -179 | 0 | 0 | 0 | 0 | 108.3 | E112 I116 E118 V119 | E112-V114 PolarHBondContact O-N 3.28Å; V114-I116 PolarHBondContact O-N 2.89Å; V114-E118 HydrophobicContact CG1-CB 3.64Å; V114-V119 HydrophobicContact CB-CG2 3.98Å; V114-V119 HydrophobicContact CG1-CG2 3.77Å |
| 115 | S | 84.1 | Confident | 82.1 | Confident | 56 Ų | 56 | 118.8 Ų | 118.8 | 39% | 0.392 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 138.2 | 178 | 69.8 | 0 | 0 | 0 | 0 | 110.4 | S117 E118 V119 | S115-S117 PolarHBondContact O-N 3.06Å; S115-E118 WeakPolarHBondContact O-CB 3.31Å; S115-E118 PolarHBondContact O-N 3.4Å; S115-E118 WeakPolarHBondContact OG-CB 3.23Å; S115-E118 VanDerWaalsContact OG-CG 3.28Å; S115-E118 WeakPolarHBondContact OG-CG 3.42Å; S115-E118 PolarHBondContact OG-N 3.19Å; S115-E118 PolarHBondContact OG-OE2 2.92Å; S115-V119 PolarHBondContact O-N 2.84Å |
| 116 | I | 86.4 | Confident | 82.3 | Confident | 117 Ų | 117 | 112.2 Ų | 112.2 | 60% | 0.6 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -57.6 | -28.9 | 180 | -168.6 | 61.2 | 0 | 0 | 0 | 111.9 | V114 V119 N120 | V114-I116 PolarHBondContact O-N 2.89Å; I116-V119 HydrophobicContact CD1-CB 4.48Å; I116-V119 PolarHBondContact O-N 3.43Å; I116-N120 VanDerWaalsContact O-CB 3.23Å; I116-N120 WeakPolarHBondContact O-CB 3.5Å; I116-N120 PolarHBondContact O-N 3.16Å; I116-N120 PolarHBondContact O-ND2 2.9Å |
| 117 | S | 88.9 | Confident | 81.9 | Confident | 85 Ų | 85 | 113.1 Ų | 113.1 | 59% | 0.594 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.6 | -42.9 | 173.6 | -59.3 | 0 | 0 | 0 | 0 | 112.5 | S115 K121 | S115-S117 PolarHBondContact O-N 3.06Å; S117-K121 VanDerWaalsContact O-CB 3.32Å; S117-K121 WeakPolarHBondContact O-CB 3.49Å; S117-K121 PolarHBondContact O-N 3.04Å |
| 118 | E | 86.7 | Confident | 81.1 | Confident | 115 Ų | 115 | 120.8 Ų | 120.8 | 54% | 0.537 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.6 | -42.9 | 175.2 | -79.1 | 169.5 | 143.2 | 0 | 0 | 111.9 | V114 S115 N120 K121 M122 | V114-E118 HydrophobicContact CG1-CB 3.64Å; S115-E118 WeakPolarHBondContact O-CB 3.31Å; S115-E118 PolarHBondContact O-N 3.4Å; S115-E118 WeakPolarHBondContact OG-CB 3.23Å; S115-E118 VanDerWaalsContact OG-CG 3.28Å; S115-E118 WeakPolarHBondContact OG-CG 3.42Å; S115-E118 PolarHBondContact OG-N 3.19Å; S115-E118 PolarHBondContact OG-OE2 2.92Å; E118-N120 VanDerWaalsContact C-N 3.32Å; E118-N120 PolarHBondContact O-N 2.77Å; E118-K121 PolarHBondContact O-N 3.28Å; E118-M122 VanDerWaalsContact O-CB 3.31Å; E118-M122 WeakPolarHBondContact O-CB 3.28Å; E118-M122 PolarHBondContact O-N 2.99Å |
| 119 | V | 89.1 | Confident | 79.6 | Confident | 45 Ų | 45 | 122.4 Ų | 122.4 | 27% | 0.273 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -57.9 | -48 | 173.8 | 178.4 | 0 | 0 | 0 | 0 | 109.8 | V114 S115 I116 K121 M122 F123 | V114-V119 HydrophobicContact CB-CG2 3.98Å; V114-V119 HydrophobicContact CG1-CG2 3.77Å; S115-V119 PolarHBondContact O-N 2.84Å; I116-V119 HydrophobicContact CD1-CB 4.48Å; I116-V119 PolarHBondContact O-N 3.43Å; V119-K121 VanDerWaalsContact C-N 3.33Å; V119-K121 PolarHBondContact O-N 2.67Å; V119-M122 PolarHBondContact O-N 2.99Å; V119-F123 HydrophobicContact CG1-CD2 3.74Å; V119-F123 HydrophobicContact CG1-CE2 4.16Å; V119-F123 WeakPolarHBondContact O-CD2 3.49Å; V119-F123 PolarHBondContact O-N 2.78Å |
| 120 | N | 91.9 | Very high | 79.9 | Confident | 66 Ų | 66 | 124.2 Ų | 124.2 | 35% | 0.353 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -61.4 | -42.3 | 177.9 | -76.8 | -11.6 | 0 | 0 | 0 | 112.1 | I116 E118 M122 Y124 L125 | I116-N120 VanDerWaalsContact O-CB 3.23Å; I116-N120 WeakPolarHBondContact O-CB 3.5Å; I116-N120 PolarHBondContact O-N 3.16Å; I116-N120 PolarHBondContact O-ND2 2.9Å; E118-N120 VanDerWaalsContact C-N 3.32Å; E118-N120 PolarHBondContact O-N 2.77Å; N120-M122 VanDerWaalsContact C-N 3.33Å; N120-M122 PolarHBondContact O-N 3.4Å; N120-Y124 WeakPolarHBondContact O-CA 3.37Å; N120-Y124 WeakPolarHBondContact O-CB 3.32Å; N120-Y124 PolarHBondContact O-N 3.31Å; N120-L125 PolarHBondContact O-N 3.09Å |
| 121 | K | 90.3 | Very high | 80.3 | Confident | 149 Ų | 149 | 119.8 Ų | 119.8 | 65% | 0.648 | 63% | 0.63 | S | S | * | * | I | π-helix | trans | -63.3 | -39.7 | 176.6 | -172 | 179.3 | 177.5 | -176.3 | 0 | 112.4 | S117 E118 V119 S126 | S117-K121 VanDerWaalsContact O-CB 3.32Å; S117-K121 WeakPolarHBondContact O-CB 3.49Å; S117-K121 PolarHBondContact O-N 3.04Å; E118-K121 PolarHBondContact O-N 3.28Å; V119-K121 VanDerWaalsContact C-N 3.33Å; V119-K121 PolarHBondContact O-N 2.67Å; K121-S126 WeakPolarHBondContact O-CB 3.32Å; K121-S126 PolarHBondContact O-N 2.76Å; K121-S126 PolarHBondContact O-OG 2.97Å |
| 122 | M | 87.2 | Confident | 80.4 | Confident | 138 Ų | 138 | 116.4 Ų | 116.4 | 68% | 0.68 | 61% | 0.613 | S | S | * | * | I | π-helix | trans | -80.7 | -32.3 | -173.3 | -166.4 | 172.5 | -155.6 | 0 | 0 | 113.8 | E118 V119 N120 S126 | E118-M122 VanDerWaalsContact O-CB 3.31Å; E118-M122 WeakPolarHBondContact O-CB 3.28Å; E118-M122 PolarHBondContact O-N 2.99Å; V119-M122 PolarHBondContact O-N 2.99Å; N120-M122 VanDerWaalsContact C-N 3.33Å; N120-M122 PolarHBondContact O-N 3.4Å; M122-S126 PolarHBondContact O-OG 2.9Å |
| 123 | F | 87.1 | Confident | 80.5 | Confident | 144 Ų | 144 | 117.2 Ų | 117.2 | 63% | 0.632 | 62% | 0.621 | S | S | * | * | I | π-helix | trans | -106.5 | -24.8 | -174.9 | -69.2 | -72.8 | 0 | 0 | 0 | 114.4 | V119 | V119-F123 HydrophobicContact CG1-CD2 3.74Å; V119-F123 HydrophobicContact CG1-CE2 4.16Å; V119-F123 WeakPolarHBondContact O-CD2 3.49Å; V119-F123 PolarHBondContact O-N 2.78Å |
| 124 | Y | 86.5 | Confident | 80.5 | Confident | 177 Ų | 177 | 116.2 Ų | 116.2 | 69% | 0.694 | 62% | 0.615 | S | S | * | * | I | π-helix | trans | -124.6 | -27.3 | -170.1 | -57.2 | -86.8 | 0 | 0 | 0 | 114.2 | N120 | N120-Y124 WeakPolarHBondContact O-CA 3.37Å; N120-Y124 WeakPolarHBondContact O-CB 3.32Å; N120-Y124 PolarHBondContact O-N 3.31Å |
| 125 | L | 85.8 | Confident | 80.4 | Confident | 129 Ų | 129 | 118.6 Ų | 118.6 | 68% | 0.675 | 62% | 0.624 | S | S | * | * | I | π-helix | trans | -108.6 | -12.8 | -178.7 | -54.6 | 170.5 | 0 | 0 | 0 | 113.8 | N120 S127 | N120-L125 PolarHBondContact O-N 3.09Å; L125-S127 VanDerWaalsContact C-N 3.34Å; L125-S127 PolarHBondContact O-N 3.28Å |
| 126 | S | 71.9 | Confident | 80.1 | Confident | 62 Ų | 62 | 123.1 Ų | 123.1 | 43% | 0.434 | 64% | 0.64 | S | S | . | * | trans | -70.8 | 93.4 | 168.6 | 46.6 | 0 | 0 | 0 | 0 | 107.9 | K121 M122 E128 | K121-S126 WeakPolarHBondContact O-CB 3.32Å; K121-S126 PolarHBondContact O-N 2.76Å; K121-S126 PolarHBondContact O-OG 2.97Å; M122-S126 PolarHBondContact O-OG 2.9Å; S126-E128 PolarHBondContact O-N 3.01Å | ||
| 127 | S | 64.8 | Low | 79.7 | Confident | 100 Ų | 100 | 123.5 Ų | 123.5 | 70% | 0.699 | 64% | 0.643 | S | S | * | * | trans | -67.9 | 100.8 | 163.8 | 44.1 | 0 | 0 | 0 | 0 | 107.8 | L125 T129 | L125-S127 VanDerWaalsContact C-N 3.34Å; L125-S127 PolarHBondContact O-N 3.28Å; S127-T129 VanDerWaalsContact C-N 3.31Å; S127-T129 PolarHBondContact O-N 2.88Å | ||
| 128 | E | 61.7 | Low | 78.9 | Confident | 196 Ų | 196 | 126.8 Ų | 126.8 | 92% | 0.916 | 65% | 0.647 | S | S | * | * | trans | -62.4 | 98.1 | 159.6 | -76.5 | -161.9 | 153.1 | 0 | 0 | 108.4 | S126 | S126-E128 PolarHBondContact O-N 3.01Š| ||
| 129 | T | 43.8 | Very low | 78.2 | Confident | 200 Ų | 200 | 127.8 Ų | 127.8 | 100% | 1.227 | 66% | 0.657 | S | S | * | * | trans | -129.4 | 0 | 146.8 | 51.4 | 0 | 0 | 0 | 0 | 107.9 | S127 | S127-T129 VanDerWaalsContact C-N 3.31Å; S127-T129 PolarHBondContact O-N 2.88Å |
Retrieved 129 of 129 residues in 175.9 ms
(Link to these results)