| 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 | S | 43.8 | Very low | 61.1 | Low | 175 Ų | 175 | 117.2 Ų | 117.2 | 100% | 1.224 | 69% | 0.692 | S | S | * | * | 0 | 26.2 | 0 | -46.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 2 | S | 48.2 | Very low | 62.6 | Low | 125 Ų | 125 | 113.2 Ų | 113.2 | 87% | 0.874 | 67% | 0.669 | S | S | * | * | trans | -111.2 | 6.6 | -170.8 | -45.4 | 0 | 0 | 0 | 0 | 113.9 | G4 | S2-G4 PolarHBondContact O-N 2.92Š| ||
| 3 | E | 51.8 | Low | 63.7 | Low | 173 Ų | 173 | 111.4 Ų | 111.4 | 81% | 0.808 | 66% | 0.66 | S | S | * | * | trans | -83.3 | 74.3 | 166.8 | -64.1 | -170.4 | 151.2 | 0 | 0 | 108 | ||||
| 4 | G | 65 | Low | 64.7 | Low | 46 Ų | 46 | 107.3 Ų | 107.3 | 47% | 0.474 | 64% | 0.638 | S | S | . | * | trans | -65.8 | -175.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S2 L6 S7 | S2-G4 PolarHBondContact O-N 2.92Å; G4-L6 PolarHBondContact O-N 3.31Å; G4-S7 PolarHBondContact O-N 2.88Å | ||
| 5 | A | 65.5 | Low | 65.7 | Low | 76 Ų | 76 | 103 Ų | 103 | 63% | 0.628 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.2 | -18.1 | -177 | 0 | 0 | 0 | 0 | 0 | 116.4 | S7 L8 | A5-S7 VanDerWaalsContact C-N 3.28Å; A5-S7 PolarHBondContact O-N 2.93Å; A5-L8 WeakPolarHBondContact O-CB 3.28Å; A5-L8 PolarHBondContact O-N 3.37Å |
| 6 | L | 63.8 | Low | 67 | Low | 145 Ų | 145 | 100.9 Ų | 100.9 | 76% | 0.759 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -60.3 | -29.4 | 169.5 | -86.1 | 156.2 | 0 | 0 | 0 | 114 | G4 L8 W9 Q10 | G4-L6 PolarHBondContact O-N 3.31Å; L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 3.09Å; L6-W9 WeakPolarHBondContact O-CB 3.38Å; L6-W9 PolarHBondContact O-N 3.4Å; L6-W9 VanDerWaalsContact O-N 3.14Å; L6-Q10 PolarHBondContact O-N 3.1Å |
| 7 | S | 62.8 | Low | 68 | Low | 50 Ų | 50 | 101.4 Ų | 101.4 | 35% | 0.35 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.9 | -32 | 177.1 | 80.5 | 0 | 0 | 0 | 0 | 112.2 | G4 A5 W9 Q10 | G4-S7 PolarHBondContact O-N 2.88Å; A5-S7 VanDerWaalsContact C-N 3.28Å; A5-S7 PolarHBondContact O-N 2.93Å; S7-W9 VanDerWaalsContact C-N 3.26Å; S7-W9 PolarHBondContact O-N 3.19Å; S7-Q10 WeakPolarHBondContact O-CB 3.48Å; S7-Q10 PolarHBondContact O-N 3.27Å |
| 8 | L | 66.1 | Low | 68.7 | Low | 126 Ų | 126 | 102.2 Ų | 102.2 | 66% | 0.66 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.7 | -37.9 | 171.7 | -68.9 | 164.9 | 0 | 0 | 0 | 110.8 | A5 L6 Q10 G11 V12 | A5-L8 WeakPolarHBondContact O-CB 3.28Å; A5-L8 PolarHBondContact O-N 3.37Å; L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 3.09Å; L8-Q10 VanDerWaalsContact C-N 3.32Å; L8-Q10 PolarHBondContact O-N 3.44Å; L8-G11 PolarHBondContact O-N 3.23Å; L8-V12 WeakPolarHBondContact O-CG2 3.49Å; L8-V12 PolarHBondContact O-N 3.47Å |
| 9 | W | 67.6 | Low | 69.6 | Low | 176 Ų | 176 | 102.5 Ų | 102.5 | 67% | 0.667 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.8 | -29 | 178.6 | -123.2 | -92.6 | 0 | 0 | 0 | 113.4 | L6 S7 G11 V12 T13 | L6-W9 WeakPolarHBondContact O-CB 3.38Å; L6-W9 PolarHBondContact O-N 3.4Å; L6-W9 VanDerWaalsContact O-N 3.14Å; S7-W9 VanDerWaalsContact C-N 3.26Å; S7-W9 PolarHBondContact O-N 3.19Å; W9-G11 PolarHBondContact O-N 3.47Å; W9-V12 PolarHBondContact O-N 3.18Å; W9-T13 PolarHBondContact O-N 3.14Å; W9-T13 PolarHBondContact O-OG1 2.99Å |
| 10 | Q | 67.7 | Low | 70.5 | Confident | 153 Ų | 153 | 106.2 Ų | 106.2 | 72% | 0.715 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63 | -27.9 | 176.4 | -67.6 | -170.3 | -21 | 0 | 0 | 112.6 | L6 S7 L8 P14 | L6-Q10 PolarHBondContact O-N 3.1Å; S7-Q10 WeakPolarHBondContact O-CB 3.48Å; S7-Q10 PolarHBondContact O-N 3.27Å; L8-Q10 VanDerWaalsContact C-N 3.32Å; L8-Q10 PolarHBondContact O-N 3.44Å; Q10-P14 WeakPolarHBondContact O-CD 3.4Å; Q10-P14 WeakPolarHBondContact O-CG 3.36Å |
| 11 | G | 69.3 | Low | 71.1 | Confident | 44 Ų | 44 | 104 Ų | 104 | 45% | 0.454 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -84.7 | -31.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114 | L8 W9 P14 A15 | L8-G11 PolarHBondContact O-N 3.23Å; W9-G11 PolarHBondContact O-N 3.47Å; G11-P14 WeakPolarHBondContact O-CD 3.47Å; G11-P14 WeakPolarHBondContact O-CG 3.48Å; G11-A15 WeakPolarHBondContact O-CB 3.49Å; G11-A15 PolarHBondContact O-N 3.09Å |
| 12 | V | 79 | Confident | 73 | Confident | 69 Ų | 69 | 98.2 Ų | 98.2 | 42% | 0.418 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68 | -46.4 | -177.4 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | L8 W9 A15 V16 | L8-V12 WeakPolarHBondContact O-CG2 3.49Å; L8-V12 PolarHBondContact O-N 3.47Å; W9-V12 PolarHBondContact O-N 3.18Å; V12-A15 WeakPolarHBondContact O-CB 3.37Å; V12-A15 PolarHBondContact O-N 2.95Å; V12-A15 VanDerWaalsContact O-N 3.09Å; V12-V16 HydrophobicContact CG1-CG2 3.98Å; V12-V16 WeakPolarHBondContact O-CG2 2.99Å; V12-V16 PolarHBondContact O-N 2.94Å |
| 13 | T | 77.5 | Confident | 74.9 | Confident | 90 Ų | 90 | 94 Ų | 94 | 55% | 0.552 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -54.4 | -54.2 | 179.5 | -57.4 | 0 | 0 | 0 | 0 | 113.2 | W9 A15 V16 L17 | W9-T13 PolarHBondContact O-N 3.14Å; W9-T13 PolarHBondContact O-OG1 2.99Å; T13-A15 VanDerWaalsContact C-N 3.27Å; T13-A15 PolarHBondContact O-N 3.18Å; T13-V16 PolarHBondContact O-N 3.38Å; T13-L17 WeakPolarHBondContact O-CB 3.2Å; T13-L17 PolarHBondContact O-N 3.32Å |
| 14 | P | 77.3 | Confident | 76.7 | Confident | 54 Ų | 54 | 87.4 Ų | 87.4 | 35% | 0.351 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.3 | -27.9 | 177.2 | 22.4 | -30.3 | 0 | 0 | 0 | 112.9 | Q10 G11 R18 | Q10-P14 WeakPolarHBondContact O-CD 3.4Å; Q10-P14 WeakPolarHBondContact O-CG 3.36Å; G11-P14 WeakPolarHBondContact O-CD 3.47Å; G11-P14 WeakPolarHBondContact O-CG 3.48Å; P14-R18 VanDerWaalsContact O-CB 3.28Å; P14-R18 WeakPolarHBondContact O-CB 3.37Å; P14-R18 PolarHBondContact O-N 3.17Å |
| 15 | A | 80.3 | Confident | 77.8 | Confident | 43 Ų | 43 | 89.5 Ų | 89.5 | 36% | 0.355 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68 | -43.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G11 V12 T13 R18 H19 | G11-A15 WeakPolarHBondContact O-CB 3.49Å; G11-A15 PolarHBondContact O-N 3.09Å; V12-A15 WeakPolarHBondContact O-CB 3.37Å; V12-A15 PolarHBondContact O-N 2.95Å; V12-A15 VanDerWaalsContact O-N 3.09Å; T13-A15 VanDerWaalsContact C-N 3.27Å; T13-A15 PolarHBondContact O-N 3.18Å; A15-R18 PolarHBondContact O-N 3.4Å; A15-H19 WeakPolarHBondContact O-CB 3.47Å; A15-H19 PolarHBondContact O-N 2.88Å |
| 16 | V | 86.2 | Confident | 79 | Confident | 69 Ų | 69 | 90.9 Ų | 90.9 | 42% | 0.418 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 176 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | V12 T13 R18 H19 Y20 | V12-V16 HydrophobicContact CG1-CG2 3.98Å; V12-V16 WeakPolarHBondContact O-CG2 2.99Å; V12-V16 PolarHBondContact O-N 2.94Å; T13-V16 PolarHBondContact O-N 3.38Å; V16-R18 VanDerWaalsContact C-N 3.34Å; V16-R18 PolarHBondContact O-N 3.33Å; V16-H19 PolarHBondContact O-N 3.36Å; V16-H19 VanDerWaalsContact O-N 3.11Å; V16-Y20 HydrophobicContact CG1-CD2 3.69Å; V16-Y20 HydrophobicContact CG1-CE2 3.87Å; V16-Y20 PolarHBondContact O-N 2.91Å |
| 17 | L | 83.6 | Confident | 80.3 | Confident | 110 Ų | 110 | 87.5 Ų | 87.5 | 58% | 0.576 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -58.8 | -46.6 | 177.2 | -167.1 | 79.4 | 0 | 0 | 0 | 111.1 | T13 H19 Y20 I21 | T13-L17 WeakPolarHBondContact O-CB 3.2Å; T13-L17 PolarHBondContact O-N 3.32Å; L17-H19 VanDerWaalsContact C-N 3.3Å; L17-H19 PolarHBondContact O-N 3.39Å; L17-Y20 PolarHBondContact O-N 2.93Å; L17-I21 HydrophobicContact CD2-CD1 4.32Å; L17-I21 HydrophobicContact CG-CD1 3.98Å; L17-I21 WeakPolarHBondContact O-CB 3.28Å; L17-I21 VanDerWaalsContact O-CG1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 3.39Å; L17-I21 PolarHBondContact O-N 3.3Å |
| 18 | R | 81.1 | Confident | 81.7 | Confident | 116 Ų | 116 | 89.3 Ų | 89.3 | 44% | 0.438 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -57.8 | -44 | 174.7 | -175 | -169.5 | 68.6 | 88.6 | 0.6 | 111.3 | P14 A15 V16 I21 Y22 | P14-R18 VanDerWaalsContact O-CB 3.28Å; P14-R18 WeakPolarHBondContact O-CB 3.37Å; P14-R18 PolarHBondContact O-N 3.17Å; A15-R18 PolarHBondContact O-N 3.4Å; V16-R18 VanDerWaalsContact C-N 3.34Å; V16-R18 PolarHBondContact O-N 3.33Å; R18-I21 PolarHBondContact O-N 3.47Å; R18-Y22 VanDerWaalsContact O-CB 3.23Å; R18-Y22 WeakPolarHBondContact O-CB 3.47Å; R18-Y22 PolarHBondContact O-N 3.42Å |
| 19 | H | 86.1 | Confident | 82.9 | Confident | 107 Ų | 107 | 84.6 Ų | 84.6 | 50% | 0.495 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | -180 | -166.2 | 74.5 | 0 | 0 | 0 | 111.9 | A15 V16 L17 T23 | A15-H19 WeakPolarHBondContact O-CB 3.47Å; A15-H19 PolarHBondContact O-N 2.88Å; V16-H19 PolarHBondContact O-N 3.36Å; V16-H19 VanDerWaalsContact O-N 3.11Å; L17-H19 VanDerWaalsContact C-N 3.3Å; L17-H19 PolarHBondContact O-N 3.39Å; H19-T23 PolarHBondContact NE2-OG1 3.38Å; H19-T23 WeakPolarHBondContact O-CB 3.41Å; H19-T23 PolarHBondContact O-N 2.7Å; H19-T23 PolarHBondContact O-OG1 3.07Å; H19-T23 VanDerWaalsContact O-OG1 3.1Å |
| 20 | Y | 86.5 | Confident | 84.1 | Confident | 177 Ų | 177 | 79.2 Ų | 79.2 | 69% | 0.694 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.5 | -47.9 | 175.8 | -98.8 | -77.4 | 0 | 0 | 0 | 112.1 | V16 L17 G24 | V16-Y20 HydrophobicContact CG1-CD2 3.69Å; V16-Y20 HydrophobicContact CG1-CE2 3.87Å; V16-Y20 PolarHBondContact O-N 2.91Å; L17-Y20 PolarHBondContact O-N 2.93Å; Y20-G24 WeakPolarHBondContact O-CA 3.25Å; Y20-G24 PolarHBondContact O-N 3.01Å |
| 21 | I | 84.7 | Confident | 85.3 | Confident | 59 Ų | 59 | 76.4 Ų | 76.4 | 30% | 0.303 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.5 | -53.5 | 178.8 | -68.7 | 170.9 | 0 | 0 | 0 | 109.7 | L17 R18 T23 G24 F25 | L17-I21 HydrophobicContact CD2-CD1 4.32Å; L17-I21 HydrophobicContact CG-CD1 3.98Å; L17-I21 WeakPolarHBondContact O-CB 3.28Å; L17-I21 VanDerWaalsContact O-CG1 3.3Å; L17-I21 WeakPolarHBondContact O-CG1 3.39Å; L17-I21 PolarHBondContact O-N 3.3Å; R18-I21 PolarHBondContact O-N 3.47Å; I21-T23 PolarHBondContact O-N 2.88Å; I21-G24 PolarHBondContact O-N 2.94Å; I21-F25 HydrophobicContact CG2-CD2 3.66Å; I21-F25 HydrophobicContact CG2-CE2 3.74Å; I21-F25 VanDerWaalsContact O-CD2 3.24Å; I21-F25 WeakPolarHBondContact O-CD2 3.33Å; I21-F25 PolarHBondContact O-N 2.91Å |
| 22 | Y | 83.1 | Confident | 86.4 | Confident | 54 Ų | 54 | 79.2 Ų | 79.2 | 21% | 0.212 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.8 | -49.9 | -178.3 | 178.9 | -95.1 | 0 | 0 | 0 | 112.2 | R18 R26 A62 | R18-Y22 VanDerWaalsContact O-CB 3.23Å; R18-Y22 WeakPolarHBondContact O-CB 3.47Å; R18-Y22 PolarHBondContact O-N 3.42Å; Y22-R26 VanDerWaalsContact O-CB 3.29Å; Y22-R26 WeakPolarHBondContact O-CB 3.39Å; Y22-R26 PolarHBondContact O-N 3.34Å; Y22-A62 HydrophobicContact CE2-CB 4.38Å |
| 23 | T | 88.2 | Confident | 87 | Confident | 37 Ų | 37 | 76.6 Ų | 76.6 | 23% | 0.227 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.8 | -39.8 | -179.3 | -65.5 | 0 | 0 | 0 | 0 | 111.3 | H19 I21 R26 V27 | H19-T23 PolarHBondContact NE2-OG1 3.38Å; H19-T23 WeakPolarHBondContact O-CB 3.41Å; H19-T23 PolarHBondContact O-N 2.7Å; H19-T23 PolarHBondContact O-OG1 3.07Å; H19-T23 VanDerWaalsContact O-OG1 3.1Å; I21-T23 PolarHBondContact O-N 2.88Å; T23-R26 PolarHBondContact O-N 2.91Å; T23-V27 HydrophobicContact CG2-CG2 4.37Å; T23-V27 VanDerWaalsContact O-CG2 3.29Å; T23-V27 WeakPolarHBondContact O-CG2 3.48Å; T23-V27 PolarHBondContact O-N 2.88Å |
| 24 | G | 90 | Very high | 87.6 | Confident | 35 Ų | 35 | 74.8 Ų | 74.8 | 36% | 0.361 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.4 | -53.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y20 I21 R26 V27 V28 | Y20-G24 WeakPolarHBondContact O-CA 3.25Å; Y20-G24 PolarHBondContact O-N 3.01Å; I21-G24 PolarHBondContact O-N 2.94Å; G24-R26 VanDerWaalsContact C-N 3.34Å; G24-R26 PolarHBondContact O-N 3.28Å; G24-V27 PolarHBondContact O-N 3.5Å; G24-V28 WeakPolarHBondContact O-CG2 3.24Å; G24-V28 PolarHBondContact O-N 2.86Å |
| 25 | F | 87.9 | Confident | 88.2 | Confident | 89 Ų | 89 | 75.6 Ų | 75.6 | 39% | 0.39 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 176.6 | -84.1 | -68.9 | 0 | 0 | 0 | 112.1 | I21 V27 V28 I29 A62 V65 | I21-F25 HydrophobicContact CG2-CD2 3.66Å; I21-F25 HydrophobicContact CG2-CE2 3.74Å; I21-F25 VanDerWaalsContact O-CD2 3.24Å; I21-F25 WeakPolarHBondContact O-CD2 3.33Å; I21-F25 PolarHBondContact O-N 2.91Å; F25-V27 VanDerWaalsContact C-N 3.34Å; F25-V27 PolarHBondContact O-N 3.01Å; F25-V28 PolarHBondContact O-N 3.25Å; F25-I29 HydrophobicContact CB-CD1 4.46Å; F25-I29 WeakPolarHBondContact O-CB 3.46Å; F25-I29 WeakPolarHBondContact O-CD1 3.35Å; F25-I29 WeakPolarHBondContact O-CG1 3.5Å; F25-I29 PolarHBondContact O-N 2.94Å; F25-A62 HydrophobicContact CB-CB 4.15Å; F25-V65 HydrophobicContact CD1-CG1 4.24Å; F25-V65 HydrophobicContact CD2-CG1 4.33Å; F25-V65 HydrophobicContact CE1-CG1 3.97Å; F25-V65 HydrophobicContact CE2-CG1 4.07Å; F25-V65 HydrophobicContact CG-CG1 4.43Å; F25-V65 HydrophobicContact CZ-CG1 3.88Å |
| 26 | R | 89.2 | Confident | 88.7 | Confident | 105 Ų | 105 | 78.7 Ų | 78.7 | 40% | 0.396 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 178.5 | -170.7 | -177.7 | 71.5 | -175.1 | 1.5 | 111.8 | Y22 T23 G24 Y30 A62 | Y22-R26 VanDerWaalsContact O-CB 3.29Å; Y22-R26 WeakPolarHBondContact O-CB 3.39Å; Y22-R26 PolarHBondContact O-N 3.34Å; T23-R26 PolarHBondContact O-N 2.91Å; G24-R26 VanDerWaalsContact C-N 3.34Å; G24-R26 PolarHBondContact O-N 3.28Å; R26-Y30 WeakPolarHBondContact O-CB 3.4Å; R26-Y30 PolarHBondContact O-N 2.94Å; R26-A62 HydrophobicContact CB-CB 4.11Å |
| 27 | V | 91.8 | Very high | 88.8 | Confident | 74 Ų | 74 | 79.9 Ų | 79.9 | 45% | 0.448 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65 | -48.7 | 178.7 | 171 | 0 | 0 | 0 | 0 | 110.7 | T23 G24 F25 I29 Y30 E31 | T23-V27 HydrophobicContact CG2-CG2 4.37Å; T23-V27 VanDerWaalsContact O-CG2 3.29Å; T23-V27 WeakPolarHBondContact O-CG2 3.48Å; T23-V27 PolarHBondContact O-N 2.88Å; G24-V27 PolarHBondContact O-N 3.5Å; F25-V27 VanDerWaalsContact C-N 3.34Å; F25-V27 PolarHBondContact O-N 3.01Å; V27-I29 PolarHBondContact O-N 3.45Å; V27-Y30 WeakPolarHBondContact O-CB 3.21Å; V27-Y30 PolarHBondContact O-N 2.91Å; V27-E31 HydrophobicContact CG1-CG 4.41Å; V27-E31 WeakPolarHBondContact O-CG 3.45Å; V27-E31 PolarHBondContact O-N 3.41Å |
| 28 | V | 92.7 | Very high | 89.2 | Confident | 88 Ų | 88 | 76.4 Ų | 76.4 | 53% | 0.533 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.6 | -50 | 179.6 | 172.7 | 0 | 0 | 0 | 0 | 111 | G24 F25 Y30 E31 E32 | G24-V28 WeakPolarHBondContact O-CG2 3.24Å; G24-V28 PolarHBondContact O-N 2.86Å; F25-V28 PolarHBondContact O-N 3.25Å; V28-Y30 VanDerWaalsContact C-N 3.29Å; V28-Y30 PolarHBondContact O-N 3.36Å; V28-E31 PolarHBondContact O-N 2.83Å; V28-E32 WeakPolarHBondContact O-CB 3.28Å; V28-E32 WeakPolarHBondContact O-CG 3.4Å; V28-E32 PolarHBondContact O-N 3.47Å |
| 29 | I | 91.1 | Very high | 89.6 | Confident | 28 Ų | 28 | 78.6 Ų | 78.6 | 14% | 0.144 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.4 | -36.7 | 180 | -60.9 | 163 | 0 | 0 | 0 | 110.8 | F25 V27 E32 C33 L61 A62 | F25-I29 HydrophobicContact CB-CD1 4.46Å; F25-I29 WeakPolarHBondContact O-CB 3.46Å; F25-I29 WeakPolarHBondContact O-CD1 3.35Å; F25-I29 WeakPolarHBondContact O-CG1 3.5Å; F25-I29 PolarHBondContact O-N 2.94Å; V27-I29 PolarHBondContact O-N 3.45Å; I29-E32 PolarHBondContact O-N 3.5Å; I29-C33 WeakPolarHBondContact O-CB 3.3Å; I29-C33 PolarHBondContact O-N 3.43Å; I29-C33 PolarHBondContact O-SG 2.76Å; I29-L61 HydrophobicContact CD1-CB 3.89Å; I29-L61 HydrophobicContact CG2-CB 4.16Å; I29-L61 HydrophobicContact CG2-CD1 3.8Å; I29-A62 HydrophobicContact CD1-CB 4.14Å |
| 30 | Y | 93.1 | Very high | 89.8 | Confident | 63 Ų | 63 | 79.2 Ų | 79.2 | 25% | 0.247 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63 | -44.7 | 176.3 | -176.9 | -86.4 | 0 | 0 | 0 | 111.6 | R26 V27 V28 C33 R34 T54 | R26-Y30 WeakPolarHBondContact O-CB 3.4Å; R26-Y30 PolarHBondContact O-N 2.94Å; V27-Y30 WeakPolarHBondContact O-CB 3.21Å; V27-Y30 PolarHBondContact O-N 2.91Å; V28-Y30 VanDerWaalsContact C-N 3.29Å; V28-Y30 PolarHBondContact O-N 3.36Å; Y30-C33 PolarHBondContact O-N 3.46Å; Y30-R34 HydrophobicContact CE1-CB 4.46Å; Y30-R34 VanDerWaalsContact O-CB 3.25Å; Y30-R34 WeakPolarHBondContact O-CB 3.39Å; Y30-R34 PolarHBondContact O-N 3.28Å; Y30-T54 HydrophobicContact CD1-CG2 4.37Å; Y30-T54 HydrophobicContact CD2-CG2 3.39Å; Y30-T54 HydrophobicContact CE1-CG2 4.47Å; Y30-T54 HydrophobicContact CE2-CG2 3.51Å; Y30-T54 HydrophobicContact CG-CG2 3.85Å; Y30-T54 WeakPolarHBondContact O-CG2 3.23Å |
| 31 | E | 92.1 | Very high | 90 | Very high | 94 Ų | 94 | 73 Ų | 73 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64 | -45.3 | 177.5 | -64.3 | -138.1 | 122.8 | 0 | 0 | 111.4 | V27 V28 C33 R34 E35 | V27-E31 HydrophobicContact CG1-CG 4.41Å; V27-E31 WeakPolarHBondContact O-CG 3.45Å; V27-E31 PolarHBondContact O-N 3.41Å; V28-E31 PolarHBondContact O-N 2.83Å; E31-C33 PolarHBondContact O-N 3Å; E31-R34 PolarHBondContact O-N 3.39Å; E31-R34 IonicContact OE1-CZ 3.84Å; E31-R34 IonicContact OE1-NH2 2.73Å; E31-R34 PolarHBondContact OE1-NH2 2.9Å; E31-E35 WeakPolarHBondContact O-CG 3.42Å; E31-E35 PolarHBondContact O-N 3.28Å |
| 32 | E | 92.7 | Very high | 90.1 | Very high | 102 Ų | 102 | 77.2 Ų | 77.2 | 48% | 0.477 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.4 | -47.1 | 175.4 | -75.5 | -61.4 | 143.8 | 0 | 0 | 112.1 | V28 I29 R34 H36 | V28-E32 WeakPolarHBondContact O-CB 3.28Å; V28-E32 WeakPolarHBondContact O-CG 3.4Å; V28-E32 PolarHBondContact O-N 3.47Å; I29-E32 PolarHBondContact O-N 3.5Å; E32-R34 PolarHBondContact O-N 2.94Å; E32-H36 VanDerWaalsContact O-CB 3.29Å; E32-H36 WeakPolarHBondContact O-CB 3.37Å; E32-H36 PolarHBondContact O-N 3.09Å; E32-H36 PolarHBondContact O-ND1 3.24Å; E32-H36 IonicContact OE1-CE1 3.68Å; E32-H36 IonicContact OE2-CE1 2.7Å; E32-H36 PolarHBondContact OE2-CE1 3.38Å; E32-H36 IonicContact OE2-CG 3.97Å; E32-H36 IonicContact OE2-ND1 3.21Å; E32-H36 PolarHBondContact OE2-ND1 3.2Å |
| 33 | C | 91.2 | Very high | 90.5 | Very high | 14 Ų | 14 | 80 Ų | 80 | 10% | 0.095 | 40% | 0.4 | C | S | . | . | I | π-helix | trans | -66.5 | -37.7 | 176.5 | -75.2 | 0 | 0 | 0 | 0 | 112.3 | I29 Y30 E31 V37 F38 T54 | I29-C33 WeakPolarHBondContact O-CB 3.3Å; I29-C33 PolarHBondContact O-N 3.43Å; I29-C33 PolarHBondContact O-SG 2.76Å; Y30-C33 PolarHBondContact O-N 3.46Å; E31-C33 PolarHBondContact O-N 3Å; C33-V37 HydrophobicContact CB-CB 4.45Å; C33-V37 HydrophobicContact CB-CG2 4.45Å; C33-V37 WeakPolarHBondContact O-CA 3.4Å; C33-V37 WeakPolarHBondContact O-CB 3.44Å; C33-V37 PolarHBondContact O-N 3.29Å; C33-V37 VanDerWaalsContact O-N 3.09Å; C33-F38 PolarHBondContact O-N 3.32Å; C33-T54 HydrophobicContact CB-CG2 3.52Å |
| 34 | R | 90.8 | Very high | 90.6 | Very high | 52 Ų | 52 | 80.3 Ų | 80.3 | 20% | 0.196 | 41% | 0.411 | C | S | . | . | I | π-helix | trans | -65 | -48 | 178.7 | -179.3 | 179.4 | 76 | -152.3 | -13.1 | 111.3 | Y30 E31 E32 R39 F46 T54 | Y30-R34 HydrophobicContact CE1-CB 4.46Å; Y30-R34 VanDerWaalsContact O-CB 3.25Å; Y30-R34 WeakPolarHBondContact O-CB 3.39Å; Y30-R34 PolarHBondContact O-N 3.28Å; E31-R34 PolarHBondContact O-N 3.39Å; E31-R34 IonicContact OE1-CZ 3.84Å; E31-R34 IonicContact OE1-NH2 2.73Å; E31-R34 PolarHBondContact OE1-NH2 2.9Å; E32-R34 PolarHBondContact O-N 2.94Å; R34-R39 WeakPolarHBondContact O-CA 3.3Å; R34-R39 PolarHBondContact O-N 3.23Å; R34-F46 HydrophobicContact CB-CE1 4.48Å; R34-F46 HydrophobicContact CB-CE2 4.49Å; R34-F46 HydrophobicContact CB-CZ 4.1Å; R34-F46 HydrophobicContact CG-CD1 4.27Å; R34-F46 HydrophobicContact CG-CD2 4.08Å; R34-F46 HydrophobicContact CG-CE1 3.9Å; R34-F46 HydrophobicContact CG-CE2 3.76Å; R34-F46 HydrophobicContact CG-CG 4.34Å; R34-F46 HydrophobicContact CG-CZ 3.67Å; R34-T54 HydrophobicContact CB-CG2 4.38Å |
| 35 | E | 89.5 | Confident | 90.6 | Very high | 72 Ų | 72 | 81.9 Ų | 81.9 | 34% | 0.336 | 41% | 0.413 | S | S | . | . | I | π-helix | trans | -82.1 | -35.9 | -173.9 | -62 | -56.9 | 149.3 | 0 | 0 | 112.4 | E31 R39 R40 | E31-E35 WeakPolarHBondContact O-CG 3.42Å; E31-E35 PolarHBondContact O-N 3.28Å; E35-R39 VanDerWaalsContact O-CG 3.32Å; E35-R39 WeakPolarHBondContact O-CG 3.37Å; E35-R40 IonicContact OE1-CZ 3.59Å; E35-R40 IonicContact OE1-NH1 2.91Å; E35-R40 PolarHBondContact OE1-NH1 2.83Å; E35-R40 IonicContact OE1-NH2 2.81Å; E35-R40 IonicContact OE2-NH1 3.47Å; E35-R40 PolarHBondContact OE2-NH1 3.35Å |
| 36 | H | 90.1 | Very high | 90.8 | Very high | 107 Ų | 107 | 79.9 Ų | 79.9 | 50% | 0.495 | 41% | 0.405 | S | S | . | . | I | π-helix | trans | -102.2 | -39.5 | -173.5 | -59.7 | 116.3 | 0 | 0 | 0 | 114.2 | E32 R39 | E32-H36 VanDerWaalsContact O-CB 3.29Å; E32-H36 WeakPolarHBondContact O-CB 3.37Å; E32-H36 PolarHBondContact O-N 3.09Å; E32-H36 PolarHBondContact O-ND1 3.24Å; E32-H36 IonicContact OE1-CE1 3.68Å; E32-H36 IonicContact OE2-CE1 2.7Å; E32-H36 PolarHBondContact OE2-CE1 3.38Å; E32-H36 IonicContact OE2-CG 3.97Å; E32-H36 IonicContact OE2-ND1 3.21Å; E32-H36 PolarHBondContact OE2-ND1 3.2Å; H36-R39 PolarHBondContact O-NE 3.22Å |
| 37 | V | 90.3 | Very high | 91 | Very high | 95 Ų | 95 | 75.9 Ų | 75.9 | 58% | 0.576 | 39% | 0.394 | S | S | * | . | I | π-helix | trans | -90.3 | -62.6 | -171.7 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | C33 | C33-V37 HydrophobicContact CB-CB 4.45Å; C33-V37 HydrophobicContact CB-CG2 4.45Å; C33-V37 WeakPolarHBondContact O-CA 3.4Å; C33-V37 WeakPolarHBondContact O-CB 3.44Å; C33-V37 PolarHBondContact O-N 3.29Å; C33-V37 VanDerWaalsContact O-N 3.09Å |
| 38 | F | 91.1 | Very high | 91.1 | Very high | 37 Ų | 37 | 78.7 Ų | 78.7 | 16% | 0.162 | 41% | 0.406 | C | S | . | . | I | π-helix | trans | -85.6 | -30.9 | -175.6 | -70.9 | -75.7 | 0 | 0 | 0 | 113 | C33 F46 W49 K50 L53 T54 L57 | C33-F38 PolarHBondContact O-N 3.32Å; F38-F46 HydrophobicContact CB-CE2 3.93Å; F38-F46 HydrophobicContact CB-CZ 4.12Å; F38-W49 HydrophobicContact CD1-CZ3 4.31Å; F38-W49 HydrophobicContact CE1-CZ3 4.34Å; F38-K50 HydrophobicContact CB-CB 4.08Å; F38-K50 HydrophobicContact CB-CD 4.15Å; F38-K50 HydrophobicContact CB-CG 4.17Å; F38-K50 HydrophobicContact CD1-CB 4.4Å; F38-K50 HydrophobicContact CD1-CG 4.27Å; F38-K50 HydrophobicContact CG-CB 4.36Å; F38-K50 VanDerWaalsContact O-CE 3.3Å; F38-K50 WeakPolarHBondContact O-CE 3.4Å; F38-K50 PolarHBondContact O-NZ 3.45Å; F38-L53 HydrophobicContact CE1-CB 3.83Å; F38-L53 HydrophobicContact CE1-CD1 3.73Å; F38-L53 HydrophobicContact CE1-CG 4.46Å; F38-L53 HydrophobicContact CE2-CB 4.14Å; F38-L53 HydrophobicContact CZ-CB 3.49Å; F38-L53 VanDerWaalsContact CZ-CB 3.49Å; F38-L53 HydrophobicContact CZ-CD1 4.13Å; F38-L53 HydrophobicContact CZ-CG 4.44Å; F38-T54 WeakPolarHBondContact CD2-OG1 3.17Å; F38-L57 HydrophobicContact CE2-CD1 3.68Å; F38-L57 HydrophobicContact CZ-CD1 3.65Å |
| 39 | R | 90.3 | Very high | 91.1 | Very high | 162 Ų | 162 | 81.5 Ų | 81.5 | 61% | 0.611 | 41% | 0.407 | S | S | * | . | trans | 56.5 | 154.5 | -178.1 | -63.8 | 175.3 | -176.5 | -170.7 | -2.1 | 113.5 | R34 E35 H36 K50 | R34-R39 WeakPolarHBondContact O-CA 3.3Å; R34-R39 PolarHBondContact O-N 3.23Å; E35-R39 VanDerWaalsContact O-CG 3.32Å; E35-R39 WeakPolarHBondContact O-CG 3.37Å; H36-R39 PolarHBondContact O-NE 3.22Å; R39-K50 WeakPolarHBondContact O-CD 3.45Å; R39-K50 PolarHBondContact O-NZ 3.27Å | ||
| 40 | R | 90 | Very high | 91.3 | Very high | 119 Ų | 119 | 81.2 Ų | 81.2 | 45% | 0.449 | 40% | 0.404 | S | S | . | . | trans | -64.7 | 150.6 | 166.5 | -71.2 | 179.7 | 173.7 | 100.8 | 0.5 | 109.8 | E35 G44 | E35-R40 IonicContact OE1-CZ 3.59Å; E35-R40 IonicContact OE1-NH1 2.91Å; E35-R40 PolarHBondContact OE1-NH1 2.83Å; E35-R40 IonicContact OE1-NH2 2.81Å; E35-R40 IonicContact OE2-NH1 3.47Å; E35-R40 PolarHBondContact OE2-NH1 3.35Å; R40-G44 WeakPolarHBondContact CD-O 3.3Å | ||
| 41 | N | 89.4 | Confident | 91.2 | Very high | 46 Ų | 46 | 79.4 Ų | 79.4 | 25% | 0.246 | 40% | 0.403 | C | S | . | . | trans | -65.9 | 164.6 | 169.6 | -70.7 | -17.1 | 0 | 0 | 0 | 110 | D43 G44 T45 K50 | N41-D43 WeakPolarHBondContact CB-OD1 3.36Å; N41-D43 PolarHBondContact O-N 3.14Å; N41-D43 VanDerWaalsContact O-N 3.14Å; N41-G44 WeakPolarHBondContact O-CA 3.5Å; N41-G44 PolarHBondContact O-N 2.87Å; N41-T45 WeakPolarHBondContact CB-O 3.39Å; N41-T45 PolarHBondContact N-O 3.4Å; N41-T45 PolarHBondContact ND2-OG1 3.15Å; N41-K50 WeakPolarHBondContact OD1-CE 3.14Å; N41-K50 PolarHBondContact OD1-NZ 3.18Å | ||
| 42 | P | 88.3 | Confident | 91.4 | Very high | 148 Ų | 148 | 80.8 Ų | 80.8 | 96% | 0.961 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.3 | -180 | -24.7 | 34.5 | 0 | 0 | 0 | 114.2 | G44 | P42-G44 PolarHBondContact O-N 2.86Š|
| 43 | D | 91.4 | Very high | 91.4 | Very high | 112 Ų | 112 | 79.6 Ų | 79.6 | 60% | 0.599 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 3.2 | 175.1 | 64 | -5.4 | 0 | 0 | 0 | 113.3 | N41 T45 | N41-D43 WeakPolarHBondContact CB-OD1 3.36Å; N41-D43 PolarHBondContact O-N 3.14Å; N41-D43 VanDerWaalsContact O-N 3.14Å; D43-T45 PolarHBondContact O-N 3.47Å; D43-T45 WeakPolarHBondContact OD1-CB 3.29Å; D43-T45 PolarHBondContact OD1-N 3.32Å; D43-T45 PolarHBondContact OD1-OG1 3.42Å; D43-T45 WeakPolarHBondContact OD2-CG2 3.38Å; D43-T45 PolarHBondContact OD2-OG1 3.41Å |
| 44 | G | 89 | Confident | 91.5 | Very high | 45 Ų | 45 | 79 Ų | 79 | 46% | 0.464 | 40% | 0.403 | S | S | . | . | S | Bend | trans | 78.2 | -3.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R40 N41 P42 | R40-G44 WeakPolarHBondContact CD-O 3.3Å; N41-G44 WeakPolarHBondContact O-CA 3.5Å; N41-G44 PolarHBondContact O-N 2.87Å; P42-G44 PolarHBondContact O-N 2.86Å |
| 45 | T | 91.4 | Very high | 91.6 | Very high | 68 Ų | 68 | 77.9 Ų | 77.9 | 42% | 0.417 | 41% | 0.408 | S | S | . | . | trans | -77.7 | 151.2 | 179.1 | 69.8 | 0 | 0 | 0 | 0 | 111.1 | N41 D43 | N41-T45 WeakPolarHBondContact CB-O 3.39Å; N41-T45 PolarHBondContact N-O 3.4Å; N41-T45 PolarHBondContact ND2-OG1 3.15Å; D43-T45 PolarHBondContact O-N 3.47Å; D43-T45 WeakPolarHBondContact OD1-CB 3.29Å; D43-T45 PolarHBondContact OD1-N 3.32Å; D43-T45 PolarHBondContact OD1-OG1 3.42Å; D43-T45 WeakPolarHBondContact OD2-CG2 3.38Å; D43-T45 PolarHBondContact OD2-OG1 3.41Å | ||
| 46 | F | 92.1 | Very high | 91.8 | Very high | 47 Ų | 47 | 79.4 Ų | 79.4 | 21% | 0.206 | 42% | 0.422 | C | S | . | . | trans | -110.7 | 101 | 170.3 | -164 | -122 | 0 | 0 | 0 | 108.8 | R34 F38 K50 A51 T54 | R34-F46 HydrophobicContact CB-CE1 4.48Å; R34-F46 HydrophobicContact CB-CE2 4.49Å; R34-F46 HydrophobicContact CB-CZ 4.1Å; R34-F46 HydrophobicContact CG-CD1 4.27Å; R34-F46 HydrophobicContact CG-CD2 4.08Å; R34-F46 HydrophobicContact CG-CE1 3.9Å; R34-F46 HydrophobicContact CG-CE2 3.76Å; R34-F46 HydrophobicContact CG-CG 4.34Å; R34-F46 HydrophobicContact CG-CZ 3.67Å; F38-F46 HydrophobicContact CB-CE2 3.93Å; F38-F46 HydrophobicContact CB-CZ 4.12Å; F46-K50 HydrophobicContact CD2-CB 4.14Å; F46-K50 HydrophobicContact CD2-CD 4.15Å; F46-K50 HydrophobicContact CE1-CB 4.16Å; F46-K50 HydrophobicContact CE2-CB 3.59Å; F46-K50 HydrophobicContact CE2-CD 3.93Å; F46-K50 HydrophobicContact CE2-CG 4.39Å; F46-K50 HydrophobicContact CZ-CB 3.6Å; F46-A51 HydrophobicContact CD1-CB 3.84Å; F46-A51 VanDerWaalsContact CE1-CA 3.43Å; F46-A51 HydrophobicContact CE1-CB 3.76Å; F46-T54 WeakPolarHBondContact CZ-OG1 3.29Å | ||
| 47 | A | 92.8 | Very high | 91.9 | Very high | 21 Ų | 21 | 77.9 Ų | 77.9 | 17% | 0.174 | 42% | 0.417 | C | S | . | . | trans | -56.2 | 142.3 | -176 | 0 | 0 | 0 | 0 | 0 | 111.7 | W49 K50 A51 | A47-W49 VanDerWaalsContact C-N 3.25Å; A47-W49 HydrophobicContact CB-CG 4.5Å; A47-W49 PolarHBondContact O-N 2.91Å; A47-K50 HydrophobicContact CB-CD 4.45Å; A47-K50 HydrophobicContact CB-CG 4.37Å; A47-K50 WeakPolarHBondContact O-CA 3.34Å; A47-K50 WeakPolarHBondContact O-CB 3.5Å; A47-K50 PolarHBondContact O-N 2.92Å; A47-A51 PolarHBondContact O-N 2.9Å; A47-A51 VanDerWaalsContact O-N 3.08Å | ||
| 48 | L | 93.4 | Very high | 92 | Very high | 132 Ų | 132 | 73.4 Ų | 73.4 | 69% | 0.691 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -54 | -41.5 | -177 | 179.4 | 62 | 0 | 0 | 0 | 112.6 | K50 A51 M52 | L48-K50 VanDerWaalsContact C-N 3.3Å; L48-K50 PolarHBondContact O-N 3.37Å; L48-A51 WeakPolarHBondContact O-CB 3.44Å; L48-A51 PolarHBondContact O-N 3.45Å; L48-A51 VanDerWaalsContact O-N 3.13Å; L48-M52 HydrophobicContact CD1-CG 4.39Å; L48-M52 HydrophobicContact CG-CG 4.45Å; L48-M52 HydrophobicContact CG-SD 4.24Å; L48-M52 WeakPolarHBondContact O-CG 3.43Å; L48-M52 PolarHBondContact O-N 2.87Å |
| 49 | W | 93.5 | Very high | 92 | Very high | 147 Ų | 147 | 72.3 Ų | 72.3 | 56% | 0.557 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.4 | -35.4 | 179 | 74.4 | -96.8 | 0 | 0 | 0 | 112.5 | F38 A47 M52 L53 | F38-W49 HydrophobicContact CD1-CZ3 4.31Å; F38-W49 HydrophobicContact CE1-CZ3 4.34Å; A47-W49 VanDerWaalsContact C-N 3.25Å; A47-W49 HydrophobicContact CB-CG 4.5Å; A47-W49 PolarHBondContact O-N 2.91Å; W49-M52 PolarHBondContact O-N 3.36Å; W49-L53 HydrophobicContact CE3-CD1 3.54Å; W49-L53 HydrophobicContact CZ3-CD1 3.59Å; W49-L53 WeakPolarHBondContact O-CG 3.29Å; W49-L53 PolarHBondContact O-N 2.93Å |
| 50 | K | 93.9 | Very high | 92 | Very high | 22 Ų | 22 | 67.5 Ų | 67.5 | 10% | 0.096 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.2 | -44 | 173.2 | -67.1 | -179 | 167.9 | -175 | 0 | 110.2 | F38 R39 N41 F46 A47 L48 M52 L53 T54 | F38-K50 HydrophobicContact CB-CB 4.08Å; F38-K50 HydrophobicContact CB-CD 4.15Å; F38-K50 HydrophobicContact CB-CG 4.17Å; F38-K50 HydrophobicContact CD1-CB 4.4Å; F38-K50 HydrophobicContact CD1-CG 4.27Å; F38-K50 HydrophobicContact CG-CB 4.36Å; F38-K50 VanDerWaalsContact O-CE 3.3Å; F38-K50 WeakPolarHBondContact O-CE 3.4Å; F38-K50 PolarHBondContact O-NZ 3.45Å; R39-K50 WeakPolarHBondContact O-CD 3.45Å; R39-K50 PolarHBondContact O-NZ 3.27Å; N41-K50 WeakPolarHBondContact OD1-CE 3.14Å; N41-K50 PolarHBondContact OD1-NZ 3.18Å; F46-K50 HydrophobicContact CD2-CB 4.14Å; F46-K50 HydrophobicContact CD2-CD 4.15Å; F46-K50 HydrophobicContact CE1-CB 4.16Å; F46-K50 HydrophobicContact CE2-CB 3.59Å; F46-K50 HydrophobicContact CE2-CD 3.93Å; F46-K50 HydrophobicContact CE2-CG 4.39Å; F46-K50 HydrophobicContact CZ-CB 3.6Å; A47-K50 HydrophobicContact CB-CD 4.45Å; A47-K50 HydrophobicContact CB-CG 4.37Å; A47-K50 WeakPolarHBondContact O-CA 3.34Å; A47-K50 WeakPolarHBondContact O-CB 3.5Å; A47-K50 PolarHBondContact O-N 2.92Å; L48-K50 VanDerWaalsContact C-N 3.3Å; L48-K50 PolarHBondContact O-N 3.37Å; K50-M52 VanDerWaalsContact C-N 3.35Å; K50-M52 PolarHBondContact O-N 3.21Å; K50-L53 PolarHBondContact O-N 2.73Å; K50-T54 VanDerWaalsContact O-CB 3.28Å; K50-T54 WeakPolarHBondContact O-CB 3.46Å; K50-T54 PolarHBondContact O-N 3.5Å; K50-T54 PolarHBondContact O-OG1 3.48Å |
| 51 | A | 92.4 | Very high | 91.9 | Very high | 25 Ų | 25 | 66 Ų | 66 | 21% | 0.207 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F46 A47 L48 T54 G55 | F46-A51 HydrophobicContact CD1-CB 3.84Å; F46-A51 VanDerWaalsContact CE1-CA 3.43Å; F46-A51 HydrophobicContact CE1-CB 3.76Å; A47-A51 PolarHBondContact O-N 2.9Å; A47-A51 VanDerWaalsContact O-N 3.08Å; L48-A51 WeakPolarHBondContact O-CB 3.44Å; L48-A51 PolarHBondContact O-N 3.45Å; L48-A51 VanDerWaalsContact O-N 3.13Å; A51-T54 PolarHBondContact O-N 3.45Å; A51-G55 PolarHBondContact O-N 2.98Å |
| 52 | M | 94.8 | Very high | 91.8 | Very high | 123 Ų | 123 | 63.8 Ų | 63.8 | 61% | 0.606 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.4 | -50.3 | 176 | -70.6 | 178.4 | 68.3 | 0 | 0 | 111.7 | L48 W49 K50 T54 G55 V56 | L48-M52 HydrophobicContact CD1-CG 4.39Å; L48-M52 HydrophobicContact CG-CG 4.45Å; L48-M52 HydrophobicContact CG-SD 4.24Å; L48-M52 WeakPolarHBondContact O-CG 3.43Å; L48-M52 PolarHBondContact O-N 2.87Å; W49-M52 PolarHBondContact O-N 3.36Å; K50-M52 VanDerWaalsContact C-N 3.35Å; K50-M52 PolarHBondContact O-N 3.21Å; M52-T54 PolarHBondContact O-N 3.5Å; M52-G55 PolarHBondContact O-N 3.39Å; M52-V56 WeakPolarHBondContact O-CG2 3.48Å; M52-V56 PolarHBondContact O-N 2.91Å |
| 53 | L | 94.4 | Very high | 91.7 | Very high | 78 Ų | 78 | 60.7 Ų | 60.7 | 41% | 0.408 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 178.7 | -73.2 | 173.7 | 0 | 0 | 0 | 112.4 | F38 W49 K50 G55 V56 L57 | F38-L53 HydrophobicContact CE1-CB 3.83Å; F38-L53 HydrophobicContact CE1-CD1 3.73Å; F38-L53 HydrophobicContact CE1-CG 4.46Å; F38-L53 HydrophobicContact CE2-CB 4.14Å; F38-L53 HydrophobicContact CZ-CB 3.49Å; F38-L53 VanDerWaalsContact CZ-CB 3.49Å; F38-L53 HydrophobicContact CZ-CD1 4.13Å; F38-L53 HydrophobicContact CZ-CG 4.44Å; W49-L53 HydrophobicContact CE3-CD1 3.54Å; W49-L53 HydrophobicContact CZ3-CD1 3.59Å; W49-L53 WeakPolarHBondContact O-CG 3.29Å; W49-L53 PolarHBondContact O-N 2.93Å; K50-L53 PolarHBondContact O-N 2.73Å; L53-G55 VanDerWaalsContact C-N 3.3Å; L53-G55 PolarHBondContact O-N 3.19Å; L53-V56 PolarHBondContact O-N 3.43Å; L53-L57 WeakPolarHBondContact O-CB 3.33Å; L53-L57 WeakPolarHBondContact O-CG 3.46Å; L53-L57 PolarHBondContact O-N 2.93Å |
| 54 | T | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 175.7 | -52.5 | 0 | 0 | 0 | 0 | 110.6 | Y30 C33 R34 F38 F46 K50 A51 M52 S58 | Y30-T54 HydrophobicContact CD1-CG2 4.37Å; Y30-T54 HydrophobicContact CD2-CG2 3.39Å; Y30-T54 HydrophobicContact CE1-CG2 4.47Å; Y30-T54 HydrophobicContact CE2-CG2 3.51Å; Y30-T54 HydrophobicContact CG-CG2 3.85Å; Y30-T54 WeakPolarHBondContact O-CG2 3.23Å; C33-T54 HydrophobicContact CB-CG2 3.52Å; R34-T54 HydrophobicContact CB-CG2 4.38Å; F38-T54 WeakPolarHBondContact CD2-OG1 3.17Å; F46-T54 WeakPolarHBondContact CZ-OG1 3.29Å; K50-T54 VanDerWaalsContact O-CB 3.28Å; K50-T54 WeakPolarHBondContact O-CB 3.46Å; K50-T54 PolarHBondContact O-N 3.5Å; K50-T54 PolarHBondContact O-OG1 3.48Å; A51-T54 PolarHBondContact O-N 3.45Å; M52-T54 PolarHBondContact O-N 3.5Å; T54-S58 VanDerWaalsContact O-CB 3.24Å; T54-S58 WeakPolarHBondContact O-CB 3.24Å; T54-S58 PolarHBondContact O-N 2.91Å; T54-S58 PolarHBondContact O-OG 3.37Å |
| 55 | G | 92.8 | Very high | 91.1 | Very high | 29 Ų | 29 | 64 Ų | 64 | 30% | 0.299 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | A51 M52 L53 S58 G59 | A51-G55 PolarHBondContact O-N 2.98Å; M52-G55 PolarHBondContact O-N 3.39Å; L53-G55 VanDerWaalsContact C-N 3.3Å; L53-G55 PolarHBondContact O-N 3.19Å; G55-S58 PolarHBondContact O-OG 3.02Å; G55-S58 VanDerWaalsContact O-OG 3.08Å; G55-G59 PolarHBondContact O-N 3.41Å |
| 56 | V | 93.5 | Very high | 90.5 | Very high | 104 Ų | 104 | 61.2 Ų | 61.2 | 63% | 0.63 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.9 | -47.9 | 177.4 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | M52 L53 G59 A60 | M52-V56 WeakPolarHBondContact O-CG2 3.48Å; M52-V56 PolarHBondContact O-N 2.91Å; L53-V56 PolarHBondContact O-N 3.43Å; V56-G59 PolarHBondContact O-N 3.27Å; V56-A60 WeakPolarHBondContact O-CB 3.1Å; V56-A60 PolarHBondContact O-N 3.45Å |
| 57 | L | 92.6 | Very high | 90 | Very high | 75 Ų | 75 | 61.7 Ų | 61.7 | 39% | 0.393 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.4 | -46.3 | -179.6 | -77.8 | 165.3 | 0 | 0 | 0 | 112.1 | F38 L53 G59 A60 L61 | F38-L57 HydrophobicContact CE2-CD1 3.68Å; F38-L57 HydrophobicContact CZ-CD1 3.65Å; L53-L57 WeakPolarHBondContact O-CB 3.33Å; L53-L57 WeakPolarHBondContact O-CG 3.46Å; L53-L57 PolarHBondContact O-N 2.93Å; L57-G59 VanDerWaalsContact C-N 3.34Å; L57-G59 PolarHBondContact O-N 2.94Å; L57-A60 PolarHBondContact O-N 3.27Å; L57-L61 WeakPolarHBondContact O-CB 3.46Å; L57-L61 WeakPolarHBondContact O-CG 3.4Å; L57-L61 PolarHBondContact O-N 3.41Å |
| 58 | S | 92.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.007 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 176.3 | 58.6 | 0 | 0 | 0 | 0 | 112.2 | T54 G55 A62 | T54-S58 VanDerWaalsContact O-CB 3.24Å; T54-S58 WeakPolarHBondContact O-CB 3.24Å; T54-S58 PolarHBondContact O-N 2.91Å; T54-S58 PolarHBondContact O-OG 3.37Å; G55-S58 PolarHBondContact O-OG 3.02Å; G55-S58 VanDerWaalsContact O-OG 3.08Å; S58-A62 WeakPolarHBondContact O-CB 3.47Å; S58-A62 PolarHBondContact O-N 2.83Å |
| 59 | G | 89.1 | Confident | 88.4 | Confident | 15 Ų | 15 | 61.7 Ų | 61.7 | 16% | 0.155 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G55 V56 L57 Q63 | G55-G59 PolarHBondContact O-N 3.41Å; V56-G59 PolarHBondContact O-N 3.27Å; L57-G59 VanDerWaalsContact C-N 3.34Å; L57-G59 PolarHBondContact O-N 2.94Å; G59-Q63 VanDerWaalsContact O-CB 3.3Å; G59-Q63 WeakPolarHBondContact O-CB 3.32Å; G59-Q63 PolarHBondContact O-N 3.37Å |
| 60 | A | 90.5 | Very high | 87.7 | Confident | 60 Ų | 60 | 57 Ų | 57 | 50% | 0.496 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.4 | -45.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V56 L57 Q63 F64 | V56-A60 WeakPolarHBondContact O-CB 3.1Å; V56-A60 PolarHBondContact O-N 3.45Å; L57-A60 PolarHBondContact O-N 3.27Å; A60-Q63 PolarHBondContact O-N 3.1Å; A60-F64 PolarHBondContact O-N 2.85Å |
| 61 | L | 88.9 | Confident | 86.9 | Confident | 87 Ų | 87 | 61.2 Ų | 61.2 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.6 | -42.9 | 177.8 | -72 | 171.8 | 0 | 0 | 0 | 111.9 | I29 L57 Q63 F64 V65 | I29-L61 HydrophobicContact CD1-CB 3.89Å; I29-L61 HydrophobicContact CG2-CB 4.16Å; I29-L61 HydrophobicContact CG2-CD1 3.8Å; L57-L61 WeakPolarHBondContact O-CB 3.46Å; L57-L61 WeakPolarHBondContact O-CG 3.4Å; L57-L61 PolarHBondContact O-N 3.41Å; L61-Q63 VanDerWaalsContact C-N 3.29Å; L61-Q63 PolarHBondContact O-N 3.39Å; L61-F64 WeakPolarHBondContact O-CB 3.37Å; L61-F64 PolarHBondContact O-N 2.93Å; L61-F64 VanDerWaalsContact O-N 3.15Å; L61-V65 WeakPolarHBondContact O-CG2 3.3Å; L61-V65 PolarHBondContact O-N 2.96Å |
| 62 | A | 87.7 | Confident | 86.2 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.008 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y22 F25 R26 I29 S58 F64 V65 A66 | Y22-A62 HydrophobicContact CE2-CB 4.38Å; F25-A62 HydrophobicContact CB-CB 4.15Å; R26-A62 HydrophobicContact CB-CB 4.11Å; I29-A62 HydrophobicContact CD1-CB 4.14Å; S58-A62 WeakPolarHBondContact O-CB 3.47Å; S58-A62 PolarHBondContact O-N 2.83Å; A62-F64 VanDerWaalsContact C-N 3.35Å; A62-V65 PolarHBondContact O-N 3.09Å; A62-A66 VanDerWaalsContact O-CB 3.3Å; A62-A66 WeakPolarHBondContact O-CB 3.35Å; A62-A66 PolarHBondContact O-N 2.88Å |
| 63 | Q | 85.9 | Confident | 85.3 | Confident | 83 Ų | 83 | 62.5 Ų | 62.5 | 39% | 0.388 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 175.4 | -171.3 | 61.4 | 39.7 | 0 | 0 | 111.8 | G59 A60 L61 A66 S67 D70 | G59-Q63 VanDerWaalsContact O-CB 3.3Å; G59-Q63 WeakPolarHBondContact O-CB 3.32Å; G59-Q63 PolarHBondContact O-N 3.37Å; A60-Q63 PolarHBondContact O-N 3.1Å; L61-Q63 VanDerWaalsContact C-N 3.29Å; L61-Q63 PolarHBondContact O-N 3.39Å; Q63-A66 PolarHBondContact O-N 2.95Å; Q63-S67 WeakPolarHBondContact O-CB 3.28Å; Q63-S67 PolarHBondContact O-N 3.37Å; Q63-D70 PolarHBondContact NE2-OD2 2.86Å |
| 64 | F | 86.3 | Confident | 84.5 | Confident | 160 Ų | 160 | 63.1 Ų | 63.1 | 70% | 0.702 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.7 | -42.4 | 176.2 | -171.4 | -98.9 | 0 | 0 | 0 | 111.8 | A60 L61 A62 S67 P68 | A60-F64 PolarHBondContact O-N 2.85Å; L61-F64 WeakPolarHBondContact O-CB 3.37Å; L61-F64 PolarHBondContact O-N 2.93Å; L61-F64 VanDerWaalsContact O-N 3.15Å; A62-F64 VanDerWaalsContact C-N 3.35Å; F64-S67 WeakPolarHBondContact O-CB 3.15Å; F64-S67 PolarHBondContact O-N 3.11Å; F64-P68 VanDerWaalsContact O-CD 3.25Å; F64-P68 WeakPolarHBondContact O-CD 3.25Å |
| 65 | V | 80.4 | Confident | 83.9 | Confident | 66 Ų | 66 | 68.1 Ų | 68.1 | 40% | 0.4 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -70.1 | -33.8 | 175.1 | 177.7 | 0 | 0 | 0 | 0 | 112 | F25 L61 A62 P68 | F25-V65 HydrophobicContact CD1-CG1 4.24Å; F25-V65 HydrophobicContact CD2-CG1 4.33Å; F25-V65 HydrophobicContact CE1-CG1 3.97Å; F25-V65 HydrophobicContact CE2-CG1 4.07Å; F25-V65 HydrophobicContact CG-CG1 4.43Å; F25-V65 HydrophobicContact CZ-CG1 3.88Å; L61-V65 WeakPolarHBondContact O-CG2 3.3Å; L61-V65 PolarHBondContact O-N 2.96Å; A62-V65 PolarHBondContact O-N 3.09Å; V65-P68 WeakPolarHBondContact O-CD 3.34Å |
| 66 | A | 79.8 | Confident | 83.2 | Confident | 10 Ų | 10 | 71.9 Ų | 71.9 | 8% | 0.083 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -73.8 | -26.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A62 Q63 T69 D70 | A62-A66 VanDerWaalsContact O-CB 3.3Å; A62-A66 WeakPolarHBondContact O-CB 3.35Å; A62-A66 PolarHBondContact O-N 2.88Å; Q63-A66 PolarHBondContact O-N 2.95Å; A66-T69 WeakPolarHBondContact O-CA 3.01Å; A66-T69 VanDerWaalsContact O-CB 3.28Å; A66-T69 WeakPolarHBondContact O-CB 3.47Å; A66-T69 PolarHBondContact O-N 2.81Å; A66-D70 PolarHBondContact O-N 3.48Å |
| 67 | S | 80.6 | Confident | 82.5 | Confident | 57 Ų | 57 | 72.8 Ų | 72.8 | 40% | 0.399 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -55.8 | -44.4 | -173.2 | -165.3 | 0 | 0 | 0 | 0 | 114.2 | Q63 F64 T69 D70 L71 | Q63-S67 WeakPolarHBondContact O-CB 3.28Å; Q63-S67 PolarHBondContact O-N 3.37Å; F64-S67 WeakPolarHBondContact O-CB 3.15Å; F64-S67 PolarHBondContact O-N 3.11Å; S67-T69 VanDerWaalsContact C-N 3.28Å; S67-T69 PolarHBondContact O-N 2.91Å; S67-D70 PolarHBondContact O-N 3.31Å; S67-L71 WeakPolarHBondContact O-CB 3.38Å; S67-L71 PolarHBondContact O-N 2.91Å |
| 68 | P | 79.2 | Confident | 81.8 | Confident | 76 Ų | 76 | 71.9 Ų | 71.9 | 49% | 0.494 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.6 | -38.7 | 172.2 | -23.6 | 32.4 | 0 | 0 | 0 | 113.1 | F64 V65 L71 I72 | F64-P68 VanDerWaalsContact O-CD 3.25Å; F64-P68 WeakPolarHBondContact O-CD 3.25Å; V65-P68 WeakPolarHBondContact O-CD 3.34Å; P68-L71 PolarHBondContact O-N 3.19Å; P68-I72 VanDerWaalsContact O-CG1 3.28Å; P68-I72 WeakPolarHBondContact O-CG1 3.44Å; P68-I72 PolarHBondContact O-N 2.63Å |
| 69 | T | 74.9 | Confident | 80.9 | Confident | 76 Ų | 76 | 77 Ų | 77 | 47% | 0.466 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.9 | -40.5 | 179.1 | -51.5 | 0 | 0 | 0 | 0 | 110.8 | A66 S67 L71 I72 K73 | A66-T69 WeakPolarHBondContact O-CA 3.01Å; A66-T69 VanDerWaalsContact O-CB 3.28Å; A66-T69 WeakPolarHBondContact O-CB 3.47Å; A66-T69 PolarHBondContact O-N 2.81Å; S67-T69 VanDerWaalsContact C-N 3.28Å; S67-T69 PolarHBondContact O-N 2.91Å; T69-L71 VanDerWaalsContact C-N 3.33Å; T69-I72 PolarHBondContact O-N 2.98Å; T69-K73 WeakPolarHBondContact O-CB 3.47Å; T69-K73 PolarHBondContact O-N 2.89Å |
| 70 | D | 78 | Confident | 80.3 | Confident | 48 Ų | 48 | 77.9 Ų | 77.9 | 26% | 0.257 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64 | -39.9 | 173.6 | -74.6 | -27.5 | 0 | 0 | 0 | 110.9 | Q63 A66 S67 K73 V74 | Q63-D70 PolarHBondContact NE2-OD2 2.86Å; A66-D70 PolarHBondContact O-N 3.48Å; S67-D70 PolarHBondContact O-N 3.31Å; D70-K73 WeakPolarHBondContact O-CB 3.35Å; D70-K73 PolarHBondContact O-N 2.72Å; D70-V74 WeakPolarHBondContact O-CG2 3.42Å; D70-V74 PolarHBondContact O-N 3.19Å |
| 71 | L | 77.4 | Confident | 79.5 | Confident | 112 Ų | 112 | 82.6 Ų | 82.6 | 59% | 0.586 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.4 | -47.7 | 177.2 | -145.1 | 84.7 | 0 | 0 | 0 | 111.8 | S67 P68 T69 K73 V74 L75 | S67-L71 WeakPolarHBondContact O-CB 3.38Å; S67-L71 PolarHBondContact O-N 2.91Å; P68-L71 PolarHBondContact O-N 3.19Å; T69-L71 VanDerWaalsContact C-N 3.33Å; L71-K73 VanDerWaalsContact C-N 3.27Å; L71-K73 PolarHBondContact O-N 2.84Å; L71-V74 PolarHBondContact O-N 2.93Å; L71-L75 WeakPolarHBondContact O-CG 3.5Å; L71-L75 PolarHBondContact O-N 2.89Å |
| 72 | I | 77.7 | Confident | 78.6 | Confident | 101 Ų | 101 | 81.7 Ų | 81.7 | 52% | 0.518 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.3 | -41.4 | 176.3 | -69.4 | 164.9 | 0 | 0 | 0 | 110.4 | P68 T69 L75 L76 | P68-I72 VanDerWaalsContact O-CG1 3.28Å; P68-I72 WeakPolarHBondContact O-CG1 3.44Å; P68-I72 PolarHBondContact O-N 2.63Å; T69-I72 PolarHBondContact O-N 2.98Å; I72-L75 PolarHBondContact O-N 3.45Å; I72-L76 HydrophobicContact CG2-CD1 3.93Å; I72-L76 WeakPolarHBondContact O-CB 3.48Å; I72-L76 PolarHBondContact O-N 3.31Å |
| 73 | K | 75.4 | Confident | 77.9 | Confident | 73 Ų | 73 | 90.1 Ų | 90.1 | 32% | 0.317 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 176.6 | -176 | -178.3 | 177.3 | -177 | 0 | 112.1 | T69 D70 L71 L75 L76 Q77 | T69-K73 WeakPolarHBondContact O-CB 3.47Å; T69-K73 PolarHBondContact O-N 2.89Å; D70-K73 WeakPolarHBondContact O-CB 3.35Å; D70-K73 PolarHBondContact O-N 2.72Å; L71-K73 VanDerWaalsContact C-N 3.27Å; L71-K73 PolarHBondContact O-N 2.84Å; K73-L75 VanDerWaalsContact C-N 3.33Å; K73-L76 PolarHBondContact O-N 2.97Å; K73-Q77 WeakPolarHBondContact O-CB 3.48Å; K73-Q77 WeakPolarHBondContact O-CG 3.44Å; K73-Q77 PolarHBondContact O-N 3.08Å |
| 74 | V | 78.1 | Confident | 77.3 | Confident | 91 Ų | 91 | 93.6 Ų | 93.6 | 55% | 0.552 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64 | -40.3 | 177.2 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | D70 L71 Q77 A78 | D70-V74 WeakPolarHBondContact O-CG2 3.42Å; D70-V74 PolarHBondContact O-N 3.19Å; L71-V74 PolarHBondContact O-N 2.93Å; V74-Q77 PolarHBondContact O-N 2.87Å; V74-A78 WeakPolarHBondContact O-CB 3.36Å; V74-A78 PolarHBondContact O-N 3.25Å |
| 75 | L | 80.4 | Confident | 77 | Confident | 105 Ų | 105 | 91 Ų | 91 | 55% | 0.55 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.3 | -48.9 | 174.7 | -71.3 | 168.8 | 0 | 0 | 0 | 111.6 | L71 I72 K73 Q77 A78 E79 | L71-L75 WeakPolarHBondContact O-CG 3.5Å; L71-L75 PolarHBondContact O-N 2.89Å; I72-L75 PolarHBondContact O-N 3.45Å; K73-L75 VanDerWaalsContact C-N 3.33Å; L75-Q77 VanDerWaalsContact C-N 3.33Å; L75-Q77 PolarHBondContact O-N 3.48Å; L75-A78 PolarHBondContact O-N 2.89Å; L75-E79 PolarHBondContact O-N 2.88Å |
| 76 | L | 78.9 | Confident | 76.8 | Confident | 109 Ų | 109 | 91.1 Ų | 91.1 | 57% | 0.571 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.1 | -41.6 | 175.5 | -91.7 | 153.7 | 0 | 0 | 0 | 112.5 | I72 K73 G80 | I72-L76 HydrophobicContact CG2-CD1 3.93Å; I72-L76 WeakPolarHBondContact O-CB 3.48Å; I72-L76 PolarHBondContact O-N 3.31Å; K73-L76 PolarHBondContact O-N 2.97Å; L76-G80 PolarHBondContact O-N 3.13Å |
| 77 | Q | 78.1 | Confident | 76.5 | Confident | 122 Ų | 122 | 94.6 Ų | 94.6 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.5 | -39.5 | 175.8 | -76 | -175.4 | -11 | 0 | 0 | 112 | K73 V74 L75 G80 R81 | K73-Q77 WeakPolarHBondContact O-CB 3.48Å; K73-Q77 WeakPolarHBondContact O-CG 3.44Å; K73-Q77 PolarHBondContact O-N 3.08Å; V74-Q77 PolarHBondContact O-N 2.87Å; L75-Q77 VanDerWaalsContact C-N 3.33Å; L75-Q77 PolarHBondContact O-N 3.48Å; Q77-G80 PolarHBondContact O-N 2.86Å; Q77-R81 WeakPolarHBondContact O-CB 3Å; Q77-R81 PolarHBondContact O-N 2.87Å |
| 78 | A | 77.1 | Confident | 75.8 | Confident | 56 Ų | 56 | 96.3 Ų | 96.3 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V74 L75 R81 R82 | V74-A78 WeakPolarHBondContact O-CB 3.36Å; V74-A78 PolarHBondContact O-N 3.25Å; L75-A78 PolarHBondContact O-N 2.89Å; A78-R81 PolarHBondContact O-N 3.38Å; A78-R82 PolarHBondContact O-N 3.47Å |
| 79 | E | 75.4 | Confident | 75 | Confident | 108 Ų | 108 | 97.9 Ų | 97.9 | 51% | 0.505 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 173.4 | -77.8 | -173.6 | 162.8 | 0 | 0 | 112.3 | L75 R81 R82 K83 | L75-E79 PolarHBondContact O-N 2.88Å; E79-R81 VanDerWaalsContact C-N 3.28Å; E79-R81 PolarHBondContact O-N 2.8Å; E79-R82 PolarHBondContact O-N 3.08Å; E79-K83 PolarHBondContact O-N 3.49Å |
| 80 | G | 75.2 | Confident | 74.4 | Confident | 34 Ų | 34 | 106.7 Ų | 106.7 | 35% | 0.351 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -57.9 | -43.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L76 Q77 K83 L84 | L76-G80 PolarHBondContact O-N 3.13Å; Q77-G80 PolarHBondContact O-N 2.86Å; G80-K83 PolarHBondContact O-N 2.87Å; G80-L84 WeakPolarHBondContact O-CG 3.45Å; G80-L84 PolarHBondContact O-N 3.33Å; G80-L84 VanDerWaalsContact O-N 3.1Å |
| 81 | R | 73.2 | Confident | 74.2 | Confident | 160 Ų | 160 | 109.6 Ų | 109.6 | 60% | 0.604 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.5 | -41.2 | 176 | -156.4 | 175.2 | -166.7 | -77.7 | -4.9 | 112.3 | Q77 A78 E79 L84 E85 | Q77-R81 WeakPolarHBondContact O-CB 3Å; Q77-R81 PolarHBondContact O-N 2.87Å; A78-R81 PolarHBondContact O-N 3.38Å; E79-R81 VanDerWaalsContact C-N 3.28Å; E79-R81 PolarHBondContact O-N 2.8Å; R81-L84 WeakPolarHBondContact O-CB 3.42Å; R81-L84 PolarHBondContact O-N 2.74Å; R81-E85 IonicContact CZ-OE1 3.19Å; R81-E85 IonicContact NH1-OE1 3.93Å; R81-E85 PolarHBondContact NH1-OE1 2.99Å; R81-E85 WeakPolarHBondContact O-CG 3.41Å; R81-E85 PolarHBondContact O-N 3.37Å; R81-E85 VanDerWaalsContact O-N 3.09Å |
| 82 | R | 71 | Confident | 74.1 | Confident | 68 Ų | 68 | 109.5 Ų | 109.5 | 26% | 0.257 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.6 | -42.2 | 174.3 | -94.9 | -162.6 | 172.3 | -158.5 | 3.5 | 113.3 | A78 E79 L84 E85 G86 L87 P88 | A78-R82 PolarHBondContact O-N 3.47Å; E79-R82 PolarHBondContact O-N 3.08Å; R82-L84 VanDerWaalsContact C-N 3.28Å; R82-L84 PolarHBondContact O-N 2.96Å; R82-E85 CarbonylContact O-C 3.54Å; R82-E85 PolarHBondContact O-N 3.47Å; R82-E85 VanDerWaalsContact O-N 3.14Å; R82-G86 PolarHBondContact O-N 3.37Å; R82-L87 HydrophobicContact CB-CB 4.42Å; R82-L87 HydrophobicContact CG-CB 4.22Å; R82-L87 HydrophobicContact CG-CD1 4.42Å; R82-L87 PolarHBondContact O-N 3.19Å; R82-L87 VanDerWaalsContact O-N 3.09Å; R82-P88 PolarHBondContact NH1-O 3.06Å |
| 83 | K | 72.3 | Confident | 73.9 | Confident | 177 Ų | 177 | 109.9 Ų | 109.9 | 77% | 0.77 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -59.7 | -40.9 | 175.2 | -93.9 | -173.6 | 174.7 | 179.4 | 0 | 111.6 | E79 G80 E85 G86 | E79-K83 PolarHBondContact O-N 3.49Å; G80-K83 PolarHBondContact O-N 2.87Å; K83-E85 VanDerWaalsContact C-N 3.29Å; K83-E85 PolarHBondContact O-N 3.41Å; K83-G86 PolarHBondContact O-N 2.88Å |
| 84 | L | 74.2 | Confident | 73.8 | Confident | 156 Ų | 156 | 112.1 Ų | 112.1 | 82% | 0.817 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65 | -33.2 | 175.7 | -69.9 | 166.5 | 0 | 0 | 0 | 112.5 | G80 R81 R82 G86 | G80-L84 WeakPolarHBondContact O-CG 3.45Å; G80-L84 PolarHBondContact O-N 3.33Å; G80-L84 VanDerWaalsContact O-N 3.1Å; R81-L84 WeakPolarHBondContact O-CB 3.42Å; R81-L84 PolarHBondContact O-N 2.74Å; R82-L84 VanDerWaalsContact C-N 3.28Å; R82-L84 PolarHBondContact O-N 2.96Å; L84-G86 VanDerWaalsContact C-N 3.28Å; L84-G86 PolarHBondContact O-N 3.14Å |
| 85 | E | 78.8 | Confident | 73.5 | Confident | 105 Ų | 105 | 113.4 Ų | 113.4 | 49% | 0.491 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.4 | 1.2 | 176.9 | -69.5 | 173.9 | 171.1 | 0 | 0 | 113.6 | R81 R82 K83 L87 | R81-E85 IonicContact CZ-OE1 3.19Å; R81-E85 IonicContact NH1-OE1 3.93Å; R81-E85 PolarHBondContact NH1-OE1 2.99Å; R81-E85 WeakPolarHBondContact O-CG 3.41Å; R81-E85 PolarHBondContact O-N 3.37Å; R81-E85 VanDerWaalsContact O-N 3.09Å; R82-E85 CarbonylContact O-C 3.54Å; R82-E85 PolarHBondContact O-N 3.47Å; R82-E85 VanDerWaalsContact O-N 3.14Å; K83-E85 VanDerWaalsContact C-N 3.29Å; K83-E85 PolarHBondContact O-N 3.41Å; E85-L87 HydrophobicContact CB-CD1 4.09Å; E85-L87 HydrophobicContact CB-CG 4.39Å; E85-L87 PolarHBondContact O-N 2.95Å |
| 86 | G | 77.3 | Confident | 73.1 | Confident | 69 Ų | 69 | 114 Ų | 114 | 71% | 0.711 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.1 | 13.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | R82 K83 L84 | R82-G86 PolarHBondContact O-N 3.37Å; K83-G86 PolarHBondContact O-N 2.88Å; L84-G86 VanDerWaalsContact C-N 3.28Å; L84-G86 PolarHBondContact O-N 3.14Å |
| 87 | L | 73.5 | Confident | 72.6 | Confident | 84 Ų | 84 | 114.4 Ų | 114.4 | 44% | 0.44 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -84.9 | 144.1 | 179.9 | -72.9 | 163.6 | 0 | 0 | 0 | 110.8 | R82 E85 | R82-L87 HydrophobicContact CB-CB 4.42Å; R82-L87 HydrophobicContact CG-CB 4.22Å; R82-L87 HydrophobicContact CG-CD1 4.42Å; R82-L87 PolarHBondContact O-N 3.19Å; R82-L87 VanDerWaalsContact O-N 3.09Å; E85-L87 HydrophobicContact CB-CD1 4.09Å; E85-L87 HydrophobicContact CB-CG 4.39Å; E85-L87 PolarHBondContact O-N 2.95Å |
| 88 | P | 64.8 | Low | 72.2 | Confident | 92 Ų | 92 | 113.8 Ų | 113.8 | 60% | 0.597 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 150.1 | 176.4 | 24.2 | -31.4 | 0 | 0 | 0 | 111.9 | R82 | R82-P88 PolarHBondContact NH1-O 3.06Š|
| 89 | P | 64.2 | Low | 71.8 | Confident | 109 Ų | 109 | 118.6 Ų | 118.6 | 71% | 0.708 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 147.6 | 175.3 | 24 | -31.5 | 0 | 0 | 0 | 110.6 | ||
| 90 | R | 61.8 | Low | 71.5 | Confident | 261 Ų | 261 | 119.5 Ų | 119.5 | 99% | 0.985 | 61% | 0.612 | S | S | * | * | trans | -71.1 | 0 | 179.6 | -78.5 | -168.8 | 107.1 | 119.1 | 0.4 | 111.6 |
Retrieved 90 of 90 residues in 19.1 ms
(Link to these results)