| 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 | 76.7 | Confident | 89.6 | Confident | 193 Ų | 193 | 119.9 Ų | 119.9 | 95% | 0.951 | 58% | 0.579 | S | S | * | * | 0 | -58.4 | 0 | -154.8 | 174.9 | -169.8 | 0 | 0 | 112.7 | L3 T4 I5 | M1-L3 PolarHBondContact O-N 3.16Å; M1-T4 WeakPolarHBondContact O-CB 3.33Å; M1-T4 PolarHBondContact O-N 3.02Å; M1-T4 VanDerWaalsContact O-N 3.14Å; M1-I5 PolarHBondContact O-N 2.84Å; M1-I5 VanDerWaalsContact O-N 3.16Å | |||
| 2 | L | 86.2 | Confident | 90.1 | Very high | 146 Ų | 146 | 118.1 Ų | 118.1 | 76% | 0.764 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.6 | -38.6 | -179.7 | -71.7 | 168.8 | 0 | 0 | 0 | 114.5 | T4 I5 R6 | L2-T4 VanDerWaalsContact C-N 3.3Å; L2-T4 PolarHBondContact O-N 3.12Å; L2-I5 PolarHBondContact O-N 3.28Å; L2-R6 PolarHBondContact O-N 3.06Å |
| 3 | L | 90.8 | Very high | 90.3 | Very high | 141 Ų | 141 | 115.7 Ų | 115.7 | 74% | 0.738 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.8 | -37 | 175.8 | -65.5 | 175.5 | 0 | 0 | 0 | 112.3 | M1 R6 K7 | M1-L3 PolarHBondContact O-N 3.16Å; L3-R6 PolarHBondContact O-N 3.35Å; L3-K7 PolarHBondContact O-N 3.4Å |
| 4 | T | 91.8 | Very high | 90.6 | Very high | 87 Ų | 87 | 113.3 Ų | 113.3 | 53% | 0.534 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.2 | -45 | 176 | -44 | 0 | 0 | 0 | 0 | 110.8 | M1 L2 R6 K7 Q8 | M1-T4 WeakPolarHBondContact O-CB 3.33Å; M1-T4 PolarHBondContact O-N 3.02Å; M1-T4 VanDerWaalsContact O-N 3.14Å; L2-T4 VanDerWaalsContact C-N 3.3Å; L2-T4 PolarHBondContact O-N 3.12Å; T4-R6 PolarHBondContact O-N 3.1Å; T4-K7 PolarHBondContact O-N 3.29Å; T4-Q8 WeakPolarHBondContact O-CG 3.35Å; T4-Q8 PolarHBondContact O-N 3.02Å |
| 5 | I | 87.9 | Confident | 90.8 | Very high | 59 Ų | 59 | 109.1 Ų | 109.1 | 30% | 0.303 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.3 | -43.9 | 176.8 | -63.9 | 169.8 | 0 | 0 | 0 | 110.7 | M1 L2 K7 Q8 L9 | M1-I5 PolarHBondContact O-N 2.84Å; M1-I5 VanDerWaalsContact O-N 3.16Å; L2-I5 PolarHBondContact O-N 3.28Å; I5-K7 VanDerWaalsContact C-N 3.32Å; I5-K7 PolarHBondContact O-N 3.35Å; I5-Q8 PolarHBondContact O-N 3.32Å; I5-L9 HydrophobicContact CG2-CD1 3.84Å; I5-L9 HydrophobicContact CG2-CG 4.45Å; I5-L9 WeakPolarHBondContact O-CG 3.42Å; I5-L9 PolarHBondContact O-N 3.09Å |
| 6 | R | 91.7 | Very high | 91 | Very high | 147 Ų | 147 | 108.1 Ų | 108.1 | 56% | 0.555 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.6 | -40.6 | 176.2 | -175.4 | 179.5 | 177.8 | 178.5 | 0.6 | 112.3 | L2 L3 T4 R10 | L2-R6 PolarHBondContact O-N 3.06Å; L3-R6 PolarHBondContact O-N 3.35Å; T4-R6 PolarHBondContact O-N 3.1Å; R6-R10 PolarHBondContact O-N 2.98Å |
| 7 | K | 92.2 | Very high | 91.3 | Very high | 157 Ų | 157 | 105.8 Ų | 105.8 | 68% | 0.683 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.2 | -44.1 | 175.5 | -171.2 | 178.3 | 178.4 | -178.9 | 0 | 110.8 | L3 T4 I5 R10 S11 | L3-K7 PolarHBondContact O-N 3.4Å; T4-K7 PolarHBondContact O-N 3.29Å; I5-K7 VanDerWaalsContact C-N 3.32Å; I5-K7 PolarHBondContact O-N 3.35Å; K7-R10 PolarHBondContact O-N 3.38Å; K7-S11 PolarHBondContact O-N 3.3Å; K7-S11 VanDerWaalsContact O-N 3.12Å; K7-S11 PolarHBondContact O-OG 2.89Å |
| 8 | Q | 90.9 | Very high | 91.5 | Very high | 82 Ų | 82 | 105.1 Ų | 105.1 | 38% | 0.383 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 178 | -70.5 | -61.3 | -29 | 0 | 0 | 113.3 | T4 I5 R10 S11 H12 L15 | T4-Q8 WeakPolarHBondContact O-CG 3.35Å; T4-Q8 PolarHBondContact O-N 3.02Å; I5-Q8 PolarHBondContact O-N 3.32Å; Q8-R10 VanDerWaalsContact C-N 3.28Å; Q8-R10 PolarHBondContact O-N 3.27Å; Q8-S11 PolarHBondContact O-N 2.96Å; Q8-S11 PolarHBondContact O-OG 3.39Å; Q8-H12 WeakPolarHBondContact O-CB 3.43Å; Q8-H12 PolarHBondContact O-N 3.16Å; Q8-H12 PolarHBondContact OE1-ND1 3.34Å; Q8-H12 VanDerWaalsContact OE1-ND1 3.1Å; Q8-L15 HydrophobicContact CB-CD1 4.37Å |
| 9 | L | 91.1 | Very high | 91.6 | Very high | 52 Ų | 52 | 104.3 Ų | 104.3 | 27% | 0.272 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.1 | -31.8 | 176.6 | -77.8 | 161.1 | 0 | 0 | 0 | 112.8 | I5 L15 I16 F19 | I5-L9 HydrophobicContact CG2-CD1 3.84Å; I5-L9 HydrophobicContact CG2-CG 4.45Å; I5-L9 WeakPolarHBondContact O-CG 3.42Å; I5-L9 PolarHBondContact O-N 3.09Å; L9-L15 HydrophobicContact CD2-CB 4.21Å; L9-I16 HydrophobicContact CD2-CB 4.32Å; L9-I16 HydrophobicContact CD2-CG1 3.63Å; L9-F19 HydrophobicContact CD2-CD2 3.92Å |
| 10 | R | 91.2 | Very high | 91.8 | Very high | 186 Ų | 186 | 106.4 Ų | 106.4 | 70% | 0.702 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -75.6 | -39.5 | 175.4 | -76.4 | -176.2 | 174.3 | -177.8 | -5.1 | 112.7 | R6 K7 Q8 | R6-R10 PolarHBondContact O-N 2.98Å; K7-R10 PolarHBondContact O-N 3.38Å; Q8-R10 VanDerWaalsContact C-N 3.28Å; Q8-R10 PolarHBondContact O-N 3.27Å |
| 11 | S | 95.4 | Very high | 92.1 | Very high | 69 Ų | 69 | 108.5 Ų | 108.5 | 48% | 0.483 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -78.4 | -27.3 | 179.4 | 59 | 0 | 0 | 0 | 0 | 112.9 | K7 Q8 | K7-S11 PolarHBondContact O-N 3.3Å; K7-S11 VanDerWaalsContact O-N 3.12Å; K7-S11 PolarHBondContact O-OG 2.89Å; Q8-S11 PolarHBondContact O-N 2.96Å; Q8-S11 PolarHBondContact O-OG 3.39Å |
| 12 | H | 94.9 | Very high | 93 | Very high | 98 Ų | 98 | 104 Ų | 104 | 45% | 0.454 | 52% | 0.524 | S | S | . | . | trans | -131.1 | 81.1 | -177.2 | -56.8 | 106.9 | 0 | 0 | 0 | 110.5 | Q8 A14 L15 | Q8-H12 WeakPolarHBondContact O-CB 3.43Å; Q8-H12 PolarHBondContact O-N 3.16Å; Q8-H12 PolarHBondContact OE1-ND1 3.34Å; Q8-H12 VanDerWaalsContact OE1-ND1 3.1Å; H12-A14 PolarHBondContact O-N 3.12Å; H12-A14 VanDerWaalsContact O-N 3.12Å; H12-L15 HydrophobicContact CB-CD1 3.82Å; H12-L15 HydrophobicContact CB-CG 3.97Å; H12-L15 WeakPolarHBondContact O-CB 3.36Å; H12-L15 PolarHBondContact O-N 3.18Å | ||
| 13 | P | 93.8 | Very high | 93.5 | Very high | 87 Ų | 87 | 99 Ų | 99 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -22.2 | -177.1 | 23 | -33 | 0 | 0 | 0 | 113.5 | L15 I16 | P13-L15 PolarHBondContact O-N 2.99Å; P13-L15 VanDerWaalsContact O-N 3.16Å; P13-I16 HydrophobicContact CB-CD1 4.22Å; P13-I16 WeakPolarHBondContact O-CB 3.47Å; P13-I16 WeakPolarHBondContact O-CG1 3.39Å; P13-I16 PolarHBondContact O-N 3.4Å; P13-I16 VanDerWaalsContact O-N 3.09Å |
| 14 | A | 94.1 | Very high | 93.9 | Very high | 82 Ų | 82 | 93.5 Ų | 93.5 | 68% | 0.678 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -19.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H12 I16 P17 | H12-A14 PolarHBondContact O-N 3.12Å; H12-A14 VanDerWaalsContact O-N 3.12Å; A14-I16 VanDerWaalsContact C-N 3.32Å; A14-P17 WeakPolarHBondContact O-CD 3.3Å; A14-P17 WeakPolarHBondContact O-CG 3.06Å |
| 15 | L | 93.8 | Very high | 94.2 | Very high | 50 Ų | 50 | 90.6 Ų | 90.6 | 26% | 0.262 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -76.3 | -19 | 176.3 | -63.9 | 177.9 | 0 | 0 | 0 | 113.1 | Q8 L9 H12 P13 L18 F19 | Q8-L15 HydrophobicContact CB-CD1 4.37Å; L9-L15 HydrophobicContact CD2-CB 4.21Å; H12-L15 HydrophobicContact CB-CD1 3.82Å; H12-L15 HydrophobicContact CB-CG 3.97Å; H12-L15 WeakPolarHBondContact O-CB 3.36Å; H12-L15 PolarHBondContact O-N 3.18Å; P13-L15 PolarHBondContact O-N 2.99Å; P13-L15 VanDerWaalsContact O-N 3.16Å; L15-L18 HydrophobicContact CD2-CD2 4.08Å; L15-L18 WeakPolarHBondContact O-CB 3.35Å; L15-L18 PolarHBondContact O-N 3.16Å; L15-F19 HydrophobicContact CB-CD2 4.05Å; L15-F19 HydrophobicContact CB-CE2 4.05Å; L15-F19 HydrophobicContact CD1-CE2 4.45Å; L15-F19 VanDerWaalsContact O-CD2 3.25Å; L15-F19 WeakPolarHBondContact O-CD2 3.46Å; L15-F19 PolarHBondContact O-N 2.75Å |
| 16 | I | 93.3 | Very high | 94.6 | Very high | 94 Ų | 94 | 90.3 Ų | 90.3 | 48% | 0.482 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.1 | -55.4 | -179.9 | -62.9 | 166 | 0 | 0 | 0 | 111.6 | L9 P13 A14 L18 F19 F20 | L9-I16 HydrophobicContact CD2-CB 4.32Å; L9-I16 HydrophobicContact CD2-CG1 3.63Å; P13-I16 HydrophobicContact CB-CD1 4.22Å; P13-I16 WeakPolarHBondContact O-CB 3.47Å; P13-I16 WeakPolarHBondContact O-CG1 3.39Å; P13-I16 PolarHBondContact O-N 3.4Å; P13-I16 VanDerWaalsContact O-N 3.09Å; A14-I16 VanDerWaalsContact C-N 3.32Å; I16-L18 VanDerWaalsContact C-N 3.28Å; I16-L18 PolarHBondContact O-N 2.85Å; I16-F19 PolarHBondContact O-N 3.25Å; I16-F20 WeakPolarHBondContact O-CB 3.47Å; I16-F20 PolarHBondContact O-N 3Å |
| 17 | P | 96.2 | Very high | 94.9 | Very high | 68 Ų | 68 | 86.1 Ų | 86.1 | 44% | 0.442 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.1 | -35.9 | 178.4 | 22.9 | -34.1 | 0 | 0 | 0 | 112.5 | A14 F20 F21 | A14-P17 WeakPolarHBondContact O-CD 3.3Å; A14-P17 WeakPolarHBondContact O-CG 3.06Å; P17-F20 WeakPolarHBondContact O-CB 3.35Å; P17-F20 PolarHBondContact O-N 3.49Å; P17-F21 HydrophobicContact CB-CE2 4.42Å; P17-F21 WeakPolarHBondContact O-CD2 3.35Å; P17-F21 PolarHBondContact O-N 3.29Å |
| 18 | L | 94.9 | Very high | 95.2 | Very high | 93 Ų | 93 | 84.7 Ų | 84.7 | 49% | 0.487 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.1 | -53 | 177.2 | 179.1 | 66.5 | 0 | 0 | 0 | 111.7 | L15 I16 F20 F21 I22 | L15-L18 HydrophobicContact CD2-CD2 4.08Å; L15-L18 WeakPolarHBondContact O-CB 3.35Å; L15-L18 PolarHBondContact O-N 3.16Å; I16-L18 VanDerWaalsContact C-N 3.28Å; I16-L18 PolarHBondContact O-N 2.85Å; L18-F20 VanDerWaalsContact C-N 3.28Å; L18-F20 PolarHBondContact O-N 3.38Å; L18-F21 PolarHBondContact O-N 2.79Å; L18-I22 HydrophobicContact CD1-CD1 3.9Å; L18-I22 HydrophobicContact CG-CD1 3.88Å; L18-I22 VanDerWaalsContact O-CG1 3.3Å; L18-I22 WeakPolarHBondContact O-CG1 3.25Å; L18-I22 PolarHBondContact O-N 2.97Å |
| 19 | F | 93.3 | Very high | 95.5 | Very high | 91 Ų | 91 | 84.1 Ų | 84.1 | 40% | 0.399 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.5 | -31.2 | 178.4 | -78.4 | -66.5 | 0 | 0 | 0 | 112.6 | L9 L15 I16 G23 | L9-F19 HydrophobicContact CD2-CD2 3.92Å; L15-F19 HydrophobicContact CB-CD2 4.05Å; L15-F19 HydrophobicContact CB-CE2 4.05Å; L15-F19 HydrophobicContact CD1-CE2 4.45Å; L15-F19 VanDerWaalsContact O-CD2 3.25Å; L15-F19 WeakPolarHBondContact O-CD2 3.46Å; L15-F19 PolarHBondContact O-N 2.75Å; I16-F19 PolarHBondContact O-N 3.25Å; F19-G23 PolarHBondContact O-N 3.48Å |
| 20 | F | 96.1 | Very high | 95.9 | Very high | 146 Ų | 146 | 87.4 Ų | 87.4 | 64% | 0.64 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.4 | -49.8 | 174.1 | 178.4 | -96.5 | 0 | 0 | 0 | 111.6 | I16 P17 L18 G24 | I16-F20 WeakPolarHBondContact O-CB 3.47Å; I16-F20 PolarHBondContact O-N 3Å; P17-F20 WeakPolarHBondContact O-CB 3.35Å; P17-F20 PolarHBondContact O-N 3.49Å; L18-F20 VanDerWaalsContact C-N 3.28Å; L18-F20 PolarHBondContact O-N 3.38Å; F20-G24 WeakPolarHBondContact O-CA 3.43Å; F20-G24 PolarHBondContact O-N 2.93Å |
| 21 | F | 97.3 | Very high | 96.1 | Very high | 151 Ų | 151 | 84.7 Ų | 84.7 | 66% | 0.662 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.9 | -38 | 179.7 | -71.6 | -62.5 | 0 | 0 | 0 | 112.9 | P17 L18 G25 | P17-F21 HydrophobicContact CB-CE2 4.42Å; P17-F21 WeakPolarHBondContact O-CD2 3.35Å; P17-F21 PolarHBondContact O-N 3.29Å; L18-F21 PolarHBondContact O-N 2.79Å; F21-G25 PolarHBondContact O-N 3.44Å |
| 22 | I | 96.7 | Very high | 96.2 | Very high | 99 Ų | 99 | 86.7 Ų | 86.7 | 51% | 0.508 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.8 | -52.2 | 176 | -66.3 | 168.3 | 0 | 0 | 0 | 110.4 | L18 G25 A26 | L18-I22 HydrophobicContact CD1-CD1 3.9Å; L18-I22 HydrophobicContact CG-CD1 3.88Å; L18-I22 VanDerWaalsContact O-CG1 3.3Å; L18-I22 WeakPolarHBondContact O-CG1 3.25Å; L18-I22 PolarHBondContact O-N 2.97Å; I22-G25 PolarHBondContact O-N 2.93Å; I22-A26 WeakPolarHBondContact O-CB 3.35Å; I22-A26 PolarHBondContact O-N 3.37Å |
| 23 | G | 96.6 | Very high | 96.2 | Very high | 40 Ų | 40 | 87.3 Ų | 87.3 | 41% | 0.412 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F19 A26 A27 | F19-G23 PolarHBondContact O-N 3.48Å; G23-A26 PolarHBondContact O-N 3.42Å; G23-A27 VanDerWaalsContact O-CB 3.26Å; G23-A27 WeakPolarHBondContact O-CB 3.44Å; G23-A27 PolarHBondContact O-N 2.96Å |
| 24 | G | 97.9 | Very high | 96.4 | Very high | 25 Ų | 25 | 85.6 Ų | 85.6 | 26% | 0.258 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.2 | -47.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | F20 A27 M28 | F20-G24 WeakPolarHBondContact O-CA 3.43Å; F20-G24 PolarHBondContact O-N 2.93Å; G24-A27 PolarHBondContact O-N 2.86Å; G24-M28 WeakPolarHBondContact O-CB 3.35Å; G24-M28 WeakPolarHBondContact O-CE 3.34Å; G24-M28 VanDerWaalsContact O-CG 3.27Å; G24-M28 WeakPolarHBondContact O-CG 3.27Å; G24-M28 PolarHBondContact O-N 3.44Å |
| 25 | G | 98.3 | Very high | 96.4 | Very high | 27 Ų | 27 | 83.5 Ų | 83.5 | 28% | 0.278 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | F21 I22 S29 | F21-G25 PolarHBondContact O-N 3.44Å; I22-G25 PolarHBondContact O-N 2.93Å; G25-S29 WeakPolarHBondContact O-CB 3.37Å; G25-S29 PolarHBondContact O-N 3.14Å; G25-S29 PolarHBondContact O-OG 3.4Å |
| 26 | A | 98.1 | Very high | 96.4 | Very high | 52 Ų | 52 | 83.8 Ų | 83.8 | 43% | 0.43 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I22 G23 S29 L30 | I22-A26 WeakPolarHBondContact O-CB 3.35Å; I22-A26 PolarHBondContact O-N 3.37Å; G23-A26 PolarHBondContact O-N 3.42Å; A26-S29 PolarHBondContact O-N 3.42Å; A26-L30 WeakPolarHBondContact O-CG 3.42Å; A26-L30 PolarHBondContact O-N 2.89Å |
| 27 | A | 98 | Very high | 96.3 | Very high | 59 Ų | 59 | 80.2 Ų | 80.2 | 49% | 0.488 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | G23 G24 S29 L30 M31 | G23-A27 VanDerWaalsContact O-CB 3.26Å; G23-A27 WeakPolarHBondContact O-CB 3.44Å; G23-A27 PolarHBondContact O-N 2.96Å; G24-A27 PolarHBondContact O-N 2.86Å; A27-S29 VanDerWaalsContact C-N 3.34Å; A27-S29 PolarHBondContact O-N 3Å; A27-L30 PolarHBondContact O-N 3.42Å; A27-M31 VanDerWaalsContact O-CB 3.29Å; A27-M31 WeakPolarHBondContact O-CB 3.26Å; A27-M31 PolarHBondContact O-N 3.02Å |
| 28 | M | 97.6 | Very high | 96.1 | Very high | 127 Ų | 127 | 83.1 Ų | 83.1 | 63% | 0.626 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.4 | -40.5 | 177.1 | -74.4 | -172.8 | -67.7 | 0 | 0 | 112.1 | G24 M31 Y32 | G24-M28 WeakPolarHBondContact O-CB 3.35Å; G24-M28 WeakPolarHBondContact O-CE 3.34Å; G24-M28 VanDerWaalsContact O-CG 3.27Å; G24-M28 WeakPolarHBondContact O-CG 3.27Å; G24-M28 PolarHBondContact O-N 3.44Å; M28-M31 PolarHBondContact O-N 2.89Å; M28-Y32 WeakPolarHBondContact O-CB 3.29Å; M28-Y32 PolarHBondContact O-N 2.88Å |
| 29 | S | 97.6 | Very high | 95.9 | Very high | 70 Ų | 70 | 87.1 Ų | 87.1 | 49% | 0.49 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.3 | -48.1 | 178.1 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | G25 A26 A27 Y32 L33 | G25-S29 WeakPolarHBondContact O-CB 3.37Å; G25-S29 PolarHBondContact O-N 3.14Å; G25-S29 PolarHBondContact O-OG 3.4Å; A26-S29 PolarHBondContact O-N 3.42Å; A27-S29 VanDerWaalsContact C-N 3.34Å; A27-S29 PolarHBondContact O-N 3Å; S29-Y32 PolarHBondContact O-N 3.46Å; S29-L33 WeakPolarHBondContact O-CG 3.4Å; S29-L33 PolarHBondContact O-N 2.56Å |
| 30 | L | 98.1 | Very high | 95.7 | Very high | 121 Ų | 121 | 84.4 Ų | 84.4 | 63% | 0.634 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.4 | -44.5 | 176.9 | -72.3 | 170.8 | 0 | 0 | 0 | 111.8 | A26 A27 Y32 L33 A34 | A26-L30 WeakPolarHBondContact O-CG 3.42Å; A26-L30 PolarHBondContact O-N 2.89Å; A27-L30 PolarHBondContact O-N 3.42Å; L30-Y32 VanDerWaalsContact C-N 3.32Å; L30-Y32 PolarHBondContact O-N 3.36Å; L30-L33 PolarHBondContact O-N 3.22Å; L30-A34 WeakPolarHBondContact O-CB 3.49Å; L30-A34 PolarHBondContact O-N 3.42Å |
| 31 | M | 97.1 | Very high | 95.4 | Very high | 129 Ų | 129 | 78.1 Ų | 78.1 | 64% | 0.635 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.2 | -44.3 | 176.7 | -178.5 | -173.2 | 176.9 | 0 | 0 | 111.4 | A27 M28 A34 R35 | A27-M31 VanDerWaalsContact O-CB 3.29Å; A27-M31 WeakPolarHBondContact O-CB 3.26Å; A27-M31 PolarHBondContact O-N 3.02Å; M28-M31 PolarHBondContact O-N 2.89Å; M31-A34 PolarHBondContact O-N 3.3Å; M31-R35 VanDerWaalsContact O-CB 3.3Å; M31-R35 WeakPolarHBondContact O-CB 3.3Å; M31-R35 PolarHBondContact O-N 3.43Å |
| 32 | Y | 96 | Very high | 95 | Very high | 112 Ų | 112 | 76.4 Ų | 76.4 | 44% | 0.439 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.4 | -42.5 | -179.1 | -174.5 | -116.5 | 0 | 0 | 0 | 112 | M28 S29 L30 R35 L36 F65 | M28-Y32 WeakPolarHBondContact O-CB 3.29Å; M28-Y32 PolarHBondContact O-N 2.88Å; S29-Y32 PolarHBondContact O-N 3.46Å; L30-Y32 VanDerWaalsContact C-N 3.32Å; L30-Y32 PolarHBondContact O-N 3.36Å; Y32-R35 PolarHBondContact O-N 2.99Å; Y32-L36 HydrophobicContact CD1-CD1 3.85Å; Y32-L36 HydrophobicContact CD1-CG 4.42Å; Y32-L36 HydrophobicContact CE1-CD1 3.46Å; Y32-L36 VanDerWaalsContact CE1-CD1 3.46Å; Y32-L36 HydrophobicContact CE1-CG 4.09Å; Y32-L36 HydrophobicContact CE2-CD2 4.45Å; Y32-L36 HydrophobicContact CE2-CG 4.32Å; Y32-L36 WeakPolarHBondContact O-CG 3.25Å; Y32-L36 PolarHBondContact O-N 3.5Å; Y32-F65 HydrophobicContact CE2-CB 4.41Å |
| 33 | L | 96.4 | Very high | 94.7 | Very high | 111 Ų | 111 | 74.1 Ų | 74.1 | 58% | 0.581 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61 | -46.3 | 173.9 | -71.8 | 174.7 | 0 | 0 | 0 | 111.9 | S29 L30 R35 L36 G37 | S29-L33 WeakPolarHBondContact O-CG 3.4Å; S29-L33 PolarHBondContact O-N 2.56Å; L30-L33 PolarHBondContact O-N 3.22Å; L33-R35 VanDerWaalsContact C-N 3.31Å; L33-R35 PolarHBondContact O-N 3.23Å; L33-L36 PolarHBondContact O-N 3.33Å; L33-G37 PolarHBondContact O-N 3.48Å |
| 34 | A | 96.3 | Very high | 94.4 | Very high | 51 Ų | 51 | 73.8 Ų | 73.8 | 42% | 0.421 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L30 M31 L36 G37 L38 | L30-A34 WeakPolarHBondContact O-CB 3.49Å; L30-A34 PolarHBondContact O-N 3.42Å; M31-A34 PolarHBondContact O-N 3.3Å; A34-L36 PolarHBondContact O-N 3.2Å; A34-G37 PolarHBondContact O-N 3.41Å; A34-L38 WeakPolarHBondContact O-CB 2.96Å; A34-L38 VanDerWaalsContact O-CG 3.25Å; A34-L38 WeakPolarHBondContact O-CG 3.38Å; A34-L38 PolarHBondContact O-N 2.88Å |
| 35 | R | 94.4 | Very high | 94.1 | Very high | 38 Ų | 38 | 81.1 Ų | 81.1 | 14% | 0.143 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 176.2 | 173.6 | -90.4 | -178.7 | -158.2 | -10.2 | 112.1 | M31 Y32 L33 R39 Y63 K64 | M31-R35 VanDerWaalsContact O-CB 3.3Å; M31-R35 WeakPolarHBondContact O-CB 3.3Å; M31-R35 PolarHBondContact O-N 3.43Å; Y32-R35 PolarHBondContact O-N 2.99Å; L33-R35 VanDerWaalsContact C-N 3.31Å; L33-R35 PolarHBondContact O-N 3.23Å; R35-R39 WeakPolarHBondContact O-CB 3.37Å; R35-R39 PolarHBondContact O-N 3.31Å; R35-Y63 PolarHBondContact NH2-O 2.92Å; R35-K64 VanDerWaalsContact NH2-CA 3.32Å |
| 36 | L | 93.4 | Very high | 93.7 | Very high | 55 Ų | 55 | 82.8 Ų | 82.8 | 29% | 0.288 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 176.1 | -75.1 | 173.6 | 0 | 0 | 0 | 111 | Y32 L33 A34 N40 | Y32-L36 HydrophobicContact CD1-CD1 3.85Å; Y32-L36 HydrophobicContact CD1-CG 4.42Å; Y32-L36 HydrophobicContact CE1-CD1 3.46Å; Y32-L36 VanDerWaalsContact CE1-CD1 3.46Å; Y32-L36 HydrophobicContact CE1-CG 4.09Å; Y32-L36 HydrophobicContact CE2-CD2 4.45Å; Y32-L36 HydrophobicContact CE2-CG 4.32Å; Y32-L36 WeakPolarHBondContact O-CG 3.25Å; Y32-L36 PolarHBondContact O-N 3.5Å; L33-L36 PolarHBondContact O-N 3.33Å; A34-L36 PolarHBondContact O-N 3.2Å; L36-N40 WeakPolarHBondContact O-CB 3.27Å; L36-N40 PolarHBondContact O-N 2.91Å |
| 37 | G | 92.8 | Very high | 93.3 | Very high | 19 Ų | 19 | 90.5 Ų | 90.5 | 20% | 0.196 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L33 A34 V43 W45 | L33-G37 PolarHBondContact O-N 3.48Å; A34-G37 PolarHBondContact O-N 3.41Å; G37-V43 WeakPolarHBondContact O-CG1 3.35Å; G37-W45 PolarHBondContact O-NE1 2.91Å |
| 38 | L | 91.7 | Very high | 92.9 | Very high | 129 Ų | 129 | 96.4 Ų | 96.4 | 68% | 0.675 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -84.6 | -27.5 | -170.2 | -65 | 172.9 | 0 | 0 | 0 | 114.6 | A34 | A34-L38 WeakPolarHBondContact O-CB 2.96Å; A34-L38 VanDerWaalsContact O-CG 3.25Å; A34-L38 WeakPolarHBondContact O-CG 3.38Å; A34-L38 PolarHBondContact O-N 2.88Å |
| 39 | R | 89.3 | Confident | 92.5 | Very high | 177 Ų | 177 | 96 Ų | 96 | 67% | 0.668 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -115.6 | -4.1 | -173.1 | -61.5 | -167.4 | 175.7 | -172.2 | -0.2 | 114.4 | R35 P41 | R35-R39 WeakPolarHBondContact O-CB 3.37Å; R35-R39 PolarHBondContact O-N 3.31Å; R39-P41 WeakPolarHBondContact O-CD 3.39Å |
| 40 | N | 89.9 | Confident | 92 | Very high | 34 Ų | 34 | 94.6 Ų | 94.6 | 18% | 0.182 | 46% | 0.456 | C | S | . | . | trans | -77.9 | 122.2 | 175.5 | -172.5 | 12.7 | 0 | 0 | 0 | 110.1 | L36 D42 V43 Y63 | L36-N40 WeakPolarHBondContact O-CB 3.27Å; L36-N40 PolarHBondContact O-N 2.91Å; N40-D42 PolarHBondContact ND2-OD2 2.59Å; N40-D42 PolarHBondContact O-N 2.73Å; N40-D42 VanDerWaalsContact O-N 3.16Å; N40-D42 PolarHBondContact OD1-N 3.44Å; N40-D42 PolarHBondContact OD1-OD2 3.1Å; N40-V43 HydrophobicContact CB-CG2 4.12Å; N40-V43 PolarHBondContact O-N 3.49Å; N40-Y63 WeakPolarHBondContact OD1-CE2 3.06Å | ||
| 41 | P | 89.9 | Confident | 91.5 | Very high | 15 Ų | 15 | 92.1 Ų | 92.1 | 10% | 0.097 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -25.6 | 175.9 | 17 | -30 | 0 | 0 | 0 | 114.8 | R39 V43 W54 L57 Y63 | R39-P41 WeakPolarHBondContact O-CD 3.39Å; P41-V43 PolarHBondContact O-N 2.91Å; P41-W54 HydrophobicContact CB-CB 4.07Å; P41-L57 HydrophobicContact CB-CD1 3.52Å; P41-L57 HydrophobicContact CG-CD1 3.66Å; P41-Y63 HydrophobicContact CG-CD2 4.34Å; P41-Y63 HydrophobicContact CG-CE2 4.38Å; P41-Y63 HydrophobicContact CG-CG 4.42Å |
| 42 | D | 88.2 | Confident | 91.2 | Very high | 115 Ų | 115 | 90.3 Ų | 90.3 | 62% | 0.615 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -13.3 | 178.6 | -51.3 | -38.1 | 0 | 0 | 0 | 112.6 | N40 | N40-D42 PolarHBondContact ND2-OD2 2.59Å; N40-D42 PolarHBondContact O-N 2.73Å; N40-D42 VanDerWaalsContact O-N 3.16Å; N40-D42 PolarHBondContact OD1-N 3.44Å; N40-D42 PolarHBondContact OD1-OD2 3.1Å |
| 43 | V | 91.1 | Very high | 90.8 | Very high | 50 Ų | 50 | 85.9 Ų | 85.9 | 30% | 0.303 | 42% | 0.422 | S | S | . | . | trans | -102.2 | 112.2 | 179.7 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | G37 N40 P41 W45 | G37-V43 WeakPolarHBondContact O-CG1 3.35Å; N40-V43 HydrophobicContact CB-CG2 4.12Å; N40-V43 PolarHBondContact O-N 3.49Å; P41-V43 PolarHBondContact O-N 2.91Å; V43-W45 HydrophobicContact CG1-CD2 4.34Å; V43-W45 HydrophobicContact CG1-CZ2 3.88Å | ||
| 44 | S | 91 | Very high | 90.3 | Very high | 33 Ų | 33 | 86 Ų | 86 | 23% | 0.231 | 42% | 0.415 | C | S | . | . | trans | -100 | 108.8 | 176.9 | -172.3 | 0 | 0 | 0 | 0 | 111.3 | P51 | S44-P51 WeakPolarHBondContact CB-O 3.47Å; S44-P51 PolarHBondContact OG-O 3.04Å | ||
| 45 | W | 91.4 | Very high | 89.8 | Confident | 180 Ų | 180 | 87.6 Ų | 87.6 | 68% | 0.682 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -89.3 | -36.4 | 174.5 | -64.2 | 104.3 | 0 | 0 | 0 | 112.6 | G37 V43 | G37-W45 PolarHBondContact O-NE1 2.91Å; V43-W45 HydrophobicContact CG1-CD2 4.34Å; V43-W45 HydrophobicContact CG1-CZ2 3.88Å |
| 46 | D | 90 | Very high | 89.3 | Confident | 62 Ų | 62 | 92.6 Ų | 92.6 | 33% | 0.332 | 44% | 0.439 | S | S | . | . | trans | -102.9 | 92.3 | 178.1 | -178 | -3.4 | 0 | 0 | 0 | 110.3 | K48 N49 N50 | D46-K48 PolarHBondContact O-N 3.28Å; D46-K48 PolarHBondContact OD1-N 3.21Å; D46-N49 PolarHBondContact OD1-N 2.99Å; D46-N49 PolarHBondContact OD1-ND2 3.16Å; D46-N49 VanDerWaalsContact OD2-CB 3.29Å; D46-N49 WeakPolarHBondContact OD2-CB 3.29Å; D46-N49 PolarHBondContact OD2-ND2 3.26Å; D46-N50 HydrophobicContact CB-CB 4.29Å; D46-N50 CarbonylContact O-C 2.91Å; D46-N50 WeakPolarHBondContact O-CA 3.48Å; D46-N50 PolarHBondContact O-N 3.32Å | ||
| 47 | R | 88.6 | Confident | 89 | Confident | 214 Ų | 214 | 93 Ų | 93 | 81% | 0.808 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -9.2 | 179.9 | -60.6 | -177.9 | -175 | 162.8 | 0.3 | 114 | ||
| 48 | K | 89.9 | Confident | 88.8 | Confident | 183 Ų | 183 | 95.5 Ų | 95.5 | 80% | 0.796 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -50.5 | -173.9 | -171.6 | 178.5 | 179.4 | -177.5 | 0 | 111.9 | D46 | D46-K48 PolarHBondContact O-N 3.28Å; D46-K48 PolarHBondContact OD1-N 3.21Å |
| 49 | N | 88.8 | Confident | 88.6 | Confident | 117 Ų | 117 | 91.8 Ų | 91.8 | 63% | 0.626 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -15.2 | -176 | -38.2 | -70.9 | 0 | 0 | 0 | 112.9 | D46 | D46-N49 PolarHBondContact OD1-N 2.99Å; D46-N49 PolarHBondContact OD1-ND2 3.16Å; D46-N49 VanDerWaalsContact OD2-CB 3.29Å; D46-N49 WeakPolarHBondContact OD2-CB 3.29Å; D46-N49 PolarHBondContact OD2-ND2 3.26Å |
| 50 | N | 86.9 | Confident | 88.7 | Confident | 42 Ų | 42 | 86.8 Ų | 86.8 | 23% | 0.225 | 43% | 0.426 | C | S | . | . | trans | -144.4 | 54.8 | 178.6 | -165 | 46.2 | 0 | 0 | 0 | 112.6 | D46 E52 K56 | D46-N50 HydrophobicContact CB-CB 4.29Å; D46-N50 CarbonylContact O-C 2.91Å; D46-N50 WeakPolarHBondContact O-CA 3.48Å; D46-N50 PolarHBondContact O-N 3.32Å; N50-E52 PolarHBondContact O-N 2.76Å; N50-E52 VanDerWaalsContact O-N 3.12Å; N50-K56 VanDerWaalsContact OD1-CD 3.25Å; N50-K56 WeakPolarHBondContact OD1-CD 3.47Å; N50-K56 WeakPolarHBondContact OD1-CE 3.47Å; N50-K56 PolarHBondContact OD1-NZ 3.25Å | ||
| 51 | P | 89.1 | Confident | 88.7 | Confident | 69 Ų | 69 | 90.7 Ų | 90.7 | 45% | 0.448 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -58.8 | -29.8 | -173.8 | 23.7 | -33.5 | 0 | 0 | 0 | 112.8 | S44 P53 | S44-P51 WeakPolarHBondContact CB-O 3.47Å; S44-P51 PolarHBondContact OG-O 3.04Å; P51-P53 WeakPolarHBondContact O-CD 3.38Å |
| 52 | E | 89.5 | Confident | 88.7 | Confident | 90 Ų | 90 | 93.8 Ų | 93.8 | 42% | 0.421 | 45% | 0.452 | S | S | . | . | trans | -120.3 | 79.8 | -177.2 | -60.6 | -173 | 121.4 | 0 | 0 | 110.9 | N50 W54 N55 | N50-E52 PolarHBondContact O-N 2.76Å; N50-E52 VanDerWaalsContact O-N 3.12Å; E52-W54 HydrophobicContact CB-CD2 4.3Å; E52-W54 HydrophobicContact CB-CH2 4.2Å; E52-W54 HydrophobicContact CB-CZ2 3.61Å; E52-W54 HydrophobicContact CG-CH2 4.1Å; E52-W54 HydrophobicContact CG-CZ2 3.54Å; E52-W54 PolarHBondContact O-N 3.27Å; E52-W54 VanDerWaalsContact O-N 3.11Å; E52-N55 WeakPolarHBondContact CB-ND2 3.44Å; E52-N55 PolarHBondContact O-N 3.21Å; E52-N55 VanDerWaalsContact O-N 3.1Å; E52-N55 PolarHBondContact OE2-ND2 3.32Å | ||
| 53 | P | 88.3 | Confident | 88.7 | Confident | 20 Ų | 20 | 91.8 Ų | 91.8 | 13% | 0.13 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -58.7 | -29.2 | -173.4 | -24 | 32.8 | 0 | 0 | 0 | 114.1 | P51 N55 K56 | P51-P53 WeakPolarHBondContact O-CD 3.38Å; P53-N55 VanDerWaalsContact C-N 3.26Å; P53-N55 PolarHBondContact O-N 3.07Å; P53-K56 PolarHBondContact O-N 2.74Å |
| 54 | W | 86.7 | Confident | 88.6 | Confident | 114 Ų | 114 | 94.1 Ų | 94.1 | 43% | 0.432 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -63.2 | -27.3 | 178.8 | 54.1 | 82.3 | 0 | 0 | 0 | 113.6 | P41 E52 K56 L57 | P41-W54 HydrophobicContact CB-CB 4.07Å; E52-W54 HydrophobicContact CB-CD2 4.3Å; E52-W54 HydrophobicContact CB-CH2 4.2Å; E52-W54 HydrophobicContact CB-CZ2 3.61Å; E52-W54 HydrophobicContact CG-CH2 4.1Å; E52-W54 HydrophobicContact CG-CZ2 3.54Å; E52-W54 PolarHBondContact O-N 3.27Å; E52-W54 VanDerWaalsContact O-N 3.11Å; W54-K56 PolarHBondContact O-N 3.26Å; W54-L57 PolarHBondContact O-N 2.97Å; W54-L57 VanDerWaalsContact O-N 3.11Å |
| 55 | N | 85.7 | Confident | 88.6 | Confident | 83 Ų | 83 | 97.5 Ų | 97.5 | 44% | 0.444 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -64.8 | -24 | -179.1 | -71.3 | -13.2 | 0 | 0 | 0 | 112.8 | E52 P53 | E52-N55 WeakPolarHBondContact CB-ND2 3.44Å; E52-N55 PolarHBondContact O-N 3.21Å; E52-N55 VanDerWaalsContact O-N 3.1Å; E52-N55 PolarHBondContact OE2-ND2 3.32Å; P53-N55 VanDerWaalsContact C-N 3.26Å; P53-N55 PolarHBondContact O-N 3.07Å |
| 56 | K | 83.4 | Confident | 88.6 | Confident | 144 Ų | 144 | 96.1 Ų | 96.1 | 63% | 0.626 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -88.4 | -2.6 | 179.2 | -64.9 | -177.8 | 179.6 | 164 | 0 | 113.4 | N50 P53 W54 | N50-K56 VanDerWaalsContact OD1-CD 3.25Å; N50-K56 WeakPolarHBondContact OD1-CD 3.47Å; N50-K56 WeakPolarHBondContact OD1-CE 3.47Å; N50-K56 PolarHBondContact OD1-NZ 3.25Å; P53-K56 PolarHBondContact O-N 2.74Å; W54-K56 PolarHBondContact O-N 3.26Å |
| 57 | L | 87.1 | Confident | 88.5 | Confident | 64 Ų | 64 | 96 Ų | 96 | 34% | 0.335 | 45% | 0.454 | S | S | . | . | trans | -92.9 | 131.4 | -177.5 | -64.1 | -178.9 | 0 | 0 | 0 | 111.3 | P41 W54 Y61 | P41-L57 HydrophobicContact CB-CD1 3.52Å; P41-L57 HydrophobicContact CG-CD1 3.66Å; W54-L57 PolarHBondContact O-N 2.97Å; W54-L57 VanDerWaalsContact O-N 3.11Å; L57-Y61 HydrophobicContact CD1-CD1 4.26Å; L57-Y61 HydrophobicContact CD2-CD1 3.54Å; L57-Y61 HydrophobicContact CD2-CE1 3.69Å; L57-Y61 HydrophobicContact CD2-CG 4.05Å; L57-Y61 HydrophobicContact CG-CD1 4.35Å | ||
| 58 | S | 87.7 | Confident | 88.6 | Confident | 70 Ų | 70 | 91.8 Ų | 91.8 | 49% | 0.49 | 45% | 0.452 | S | S | . | . | trans | -67.6 | 146.8 | 170.1 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | N60 Y61 | S58-N60 PolarHBondContact O-N 3.25Å; S58-N60 PolarHBondContact OG-N 3.04Å; S58-Y61 WeakPolarHBondContact O-CB 3.48Å; S58-Y61 PolarHBondContact O-N 3.33Å | ||
| 59 | P | 88.1 | Confident | 88.7 | Confident | 52 Ų | 52 | 90.6 Ų | 90.6 | 34% | 0.338 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -28.9 | 171.2 | -24.1 | 31.5 | 0 | 0 | 0 | 113.4 | Y61 L75 K77 | P59-Y61 VanDerWaalsContact C-N 3.29Å; P59-L75 HydrophobicContact CB-CB 4.4Å; P59-L75 WeakPolarHBondContact O-CB 3.29Å; P59-L75 VanDerWaalsContact O-CD1 3.29Å; P59-L75 WeakPolarHBondContact O-CD1 2.97Å; P59-K77 HydrophobicContact CG-CB 3.61Å; P59-K77 HydrophobicContact CG-CG 4.05Å |
| 60 | N | 90.9 | Very high | 88.7 | Confident | 72 Ų | 72 | 89.8 Ų | 89.8 | 39% | 0.385 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 3.5 | -178.1 | -61.1 | -1.3 | 0 | 0 | 0 | 112.5 | S58 Q62 Y72 L75 | S58-N60 PolarHBondContact O-N 3.25Å; S58-N60 PolarHBondContact OG-N 3.04Å; N60-Q62 PolarHBondContact O-N 3.11Å; N60-Y72 VanDerWaalsContact CA-O 3.29Å; N60-Y72 WeakPolarHBondContact CA-O 3.15Å; N60-Y72 VanDerWaalsContact CB-O 3.27Å; N60-Y72 WeakPolarHBondContact CB-O 3.41Å; N60-Y72 WeakPolarHBondContact O-CB 3.29Å; N60-Y72 PolarHBondContact OD1-O 2.91Å; N60-L75 PolarHBondContact OD1-O 2.94Å |
| 61 | Y | 89.9 | Confident | 88.9 | Confident | 115 Ų | 115 | 91.1 Ų | 91.1 | 45% | 0.451 | 45% | 0.454 | S | S | . | . | trans | -77.8 | 110.1 | -178.2 | -174.2 | -101.5 | 0 | 0 | 0 | 111.1 | L57 S58 P59 Y63 Y72 | L57-Y61 HydrophobicContact CD1-CD1 4.26Å; L57-Y61 HydrophobicContact CD2-CD1 3.54Å; L57-Y61 HydrophobicContact CD2-CE1 3.69Å; L57-Y61 HydrophobicContact CD2-CG 4.05Å; L57-Y61 HydrophobicContact CG-CD1 4.35Å; S58-Y61 WeakPolarHBondContact O-CB 3.48Å; S58-Y61 PolarHBondContact O-N 3.33Å; P59-Y61 VanDerWaalsContact C-N 3.29Å; Y61-Y63 VanDerWaalsContact CE1-CB 3.46Å; Y61-Y63 PolarHBondContact O-N 3.1Å; Y61-Y72 WeakPolarHBondContact O-CE1 3.36Å | ||
| 62 | Q | 90.3 | Very high | 89 | Confident | 80 Ų | 80 | 89 Ų | 89 | 37% | 0.374 | 44% | 0.438 | S | S | . | . | trans | -77.9 | 88.4 | 171.4 | -175.4 | -162.5 | -59.3 | 0 | 0 | 110.5 | N60 K64 T67 Y72 | N60-Q62 PolarHBondContact O-N 3.11Å; Q62-K64 VanDerWaalsContact C-N 3.33Å; Q62-K64 PolarHBondContact NE2-O 3.2Å; Q62-T67 HydrophobicContact CG-CG2 3.35Å; Q62-T67 PolarHBondContact OE1-OG1 3.35Å; Q62-Y72 HydrophobicContact CB-CD1 4Å; Q62-Y72 HydrophobicContact CB-CD2 4.01Å; Q62-Y72 HydrophobicContact CB-CE1 4.14Å; Q62-Y72 HydrophobicContact CB-CE2 4.19Å; Q62-Y72 HydrophobicContact CB-CG 3.91Å; Q62-Y72 HydrophobicContact CG-CD2 4.06Å; Q62-Y72 HydrophobicContact CG-CE1 4.4Å; Q62-Y72 HydrophobicContact CG-CE2 3.85Å; Q62-Y72 HydrophobicContact CG-CG 4.46Å | ||
| 63 | Y | 88.1 | Confident | 89 | Confident | 73 Ų | 73 | 88.7 Ų | 88.7 | 29% | 0.286 | 45% | 0.446 | S | S | . | . | trans | -77 | -18.6 | 174.6 | 84.9 | -83 | 0 | 0 | 0 | 113.2 | R35 N40 P41 Y61 | R35-Y63 PolarHBondContact NH2-O 2.92Å; N40-Y63 WeakPolarHBondContact OD1-CE2 3.06Å; P41-Y63 HydrophobicContact CG-CD2 4.34Å; P41-Y63 HydrophobicContact CG-CE2 4.38Å; P41-Y63 HydrophobicContact CG-CG 4.42Å; Y61-Y63 VanDerWaalsContact CE1-CB 3.46Å; Y61-Y63 PolarHBondContact O-N 3.1Å | ||
| 64 | K | 90.1 | Very high | 89.2 | Confident | 100 Ų | 100 | 95.1 Ų | 95.1 | 44% | 0.435 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -71.3 | 153.7 | -177.5 | -67.9 | -177 | -177.5 | 174.5 | 0 | 112.3 | R35 Q62 F66 | R35-K64 VanDerWaalsContact NH2-CA 3.32Å; Q62-K64 VanDerWaalsContact C-N 3.33Å; Q62-K64 PolarHBondContact NE2-O 3.2Å; K64-F66 VanDerWaalsContact C-N 3.35Å; K64-F66 PolarHBondContact O-N 3.11Å |
| 65 | F | 90.2 | Very high | 89.3 | Confident | 104 Ų | 104 | 92.8 Ų | 92.8 | 46% | 0.456 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -69.8 | -37.9 | -171.3 | -170.8 | -117.1 | 0 | 0 | 0 | 110.9 | Y32 | Y32-F65 HydrophobicContact CE2-CB 4.41Š|
| 66 | F | 90.3 | Very high | 89.4 | Confident | 151 Ų | 151 | 97.7 Ų | 97.7 | 66% | 0.662 | 49% | 0.485 | S | S | * | . | trans | -136.8 | 155 | 169.2 | -59 | -64.3 | 0 | 0 | 0 | 110.2 | K64 | K64-F66 VanDerWaalsContact C-N 3.35Å; K64-F66 PolarHBondContact O-N 3.11Å | ||
| 67 | T | 89.8 | Confident | 89.4 | Confident | 59 Ų | 59 | 96.1 Ų | 96.1 | 36% | 0.362 | 48% | 0.478 | S | S | . | . | trans | -113.2 | 129.7 | 171 | 40.5 | 0 | 0 | 0 | 0 | 109.1 | Q62 Y72 | Q62-T67 HydrophobicContact CG-CG2 3.35Å; Q62-T67 PolarHBondContact OE1-OG1 3.35Å; T67-Y72 HydrophobicContact CG2-CD2 3.8Å; T67-Y72 HydrophobicContact CG2-CE2 3.25Å | ||
| 68 | V | 90.1 | Very high | 89.3 | Confident | 126 Ų | 126 | 100.3 Ų | 100.3 | 76% | 0.764 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -102.6 | -54.8 | -177.4 | -172.3 | 0 | 0 | 0 | 0 | 109.5 | ||
| 69 | N | 90.9 | Very high | 88.9 | Confident | 158 Ų | 158 | 106.2 Ų | 106.2 | 85% | 0.845 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -128 | 1.7 | -171.2 | -62.6 | -33.6 | 0 | 0 | 0 | 114.5 | ||
| 70 | M | 89.6 | Confident | 88.5 | Confident | 99 Ų | 99 | 108.9 Ų | 108.9 | 49% | 0.488 | 53% | 0.529 | S | S | . | . | trans | -108.3 | 122 | -171 | -176.1 | 170.9 | -79.8 | 0 | 0 | 111 | Y72 L75 | M70-Y72 HydrophobicContact CB-CD2 4.36Å; M70-Y72 HydrophobicContact CB-CE2 3.91Å; M70-Y72 HydrophobicContact CG-CD2 3.99Å; M70-Y72 HydrophobicContact CG-CE2 3.71Å; M70-Y72 WeakPolarHBondContact O-CD2 3.47Å; M70-Y72 PolarHBondContact O-N 2.55Å; M70-Y72 HydrophobicContact SD-CE1 4.3Å; M70-Y72 HydrophobicContact SD-CE2 3.82Å; M70-L75 HydrophobicContact SD-CD1 4.29Å | ||
| 71 | D | 91.5 | Very high | 87.8 | Confident | 70 Ų | 70 | 111.9 Ų | 111.9 | 37% | 0.374 | 55% | 0.546 | S | S | . | . | trans | -91.5 | 98.3 | 173.5 | -175.4 | -5.8 | 0 | 0 | 0 | 109.9 | S73 K74 | D71-S73 PolarHBondContact O-N 3.12Å; D71-S73 WeakPolarHBondContact OD1-CB 3.27Å; D71-S73 PolarHBondContact OD1-N 3.25Å; D71-S73 VanDerWaalsContact OD1-N 3.1Å; D71-S73 PolarHBondContact OD1-OG 3.32Å; D71-K74 HydrophobicContact CB-CD 4.29Å; D71-K74 PolarHBondContact O-N 2.92Å; D71-K74 VanDerWaalsContact OD2-CD 3.27Å; D71-K74 WeakPolarHBondContact OD2-CD 3.48Å; D71-K74 WeakPolarHBondContact OD2-CE 3.39Å; D71-K74 IonicContact OD2-NZ 2.73Å; D71-K74 PolarHBondContact OD2-NZ 2.85Å | ||
| 72 | Y | 90.8 | Very high | 86.7 | Confident | 24 Ų | 24 | 118.3 Ų | 118.3 | 9% | 0.094 | 58% | 0.576 | C | S | . | * | G | 310 helix | trans | -66.3 | -22.4 | -177.5 | -77.5 | -102.6 | 0 | 0 | 0 | 112.9 | N60 Y61 Q62 T67 M70 K74 L75 | N60-Y72 VanDerWaalsContact CA-O 3.29Å; N60-Y72 WeakPolarHBondContact CA-O 3.15Å; N60-Y72 VanDerWaalsContact CB-O 3.27Å; N60-Y72 WeakPolarHBondContact CB-O 3.41Å; N60-Y72 WeakPolarHBondContact O-CB 3.29Å; N60-Y72 PolarHBondContact OD1-O 2.91Å; Y61-Y72 WeakPolarHBondContact O-CE1 3.36Å; Q62-Y72 HydrophobicContact CB-CD1 4Å; Q62-Y72 HydrophobicContact CB-CD2 4.01Å; Q62-Y72 HydrophobicContact CB-CE1 4.14Å; Q62-Y72 HydrophobicContact CB-CE2 4.19Å; Q62-Y72 HydrophobicContact CB-CG 3.91Å; Q62-Y72 HydrophobicContact CG-CD2 4.06Å; Q62-Y72 HydrophobicContact CG-CE1 4.4Å; Q62-Y72 HydrophobicContact CG-CE2 3.85Å; Q62-Y72 HydrophobicContact CG-CG 4.46Å; T67-Y72 HydrophobicContact CG2-CD2 3.8Å; T67-Y72 HydrophobicContact CG2-CE2 3.25Å; M70-Y72 HydrophobicContact CB-CD2 4.36Å; M70-Y72 HydrophobicContact CB-CE2 3.91Å; M70-Y72 HydrophobicContact CG-CD2 3.99Å; M70-Y72 HydrophobicContact CG-CE2 3.71Å; M70-Y72 WeakPolarHBondContact O-CD2 3.47Å; M70-Y72 PolarHBondContact O-N 2.55Å; M70-Y72 HydrophobicContact SD-CE1 4.3Å; M70-Y72 HydrophobicContact SD-CE2 3.82Å; Y72-K74 PolarHBondContact O-N 2.8Å; Y72-L75 HydrophobicContact CD1-CD1 3.6Å; Y72-L75 HydrophobicContact CE1-CD1 4.1Å; Y72-L75 HydrophobicContact CG-CD1 4.03Å; Y72-L75 PolarHBondContact O-N 2.89Å |
| 73 | S | 90 | Very high | 86.5 | Confident | 84 Ų | 84 | 120.2 Ų | 120.2 | 59% | 0.587 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -66.7 | -23.2 | 180 | 72.1 | 0 | 0 | 0 | 0 | 113.1 | D71 | D71-S73 PolarHBondContact O-N 3.12Å; D71-S73 WeakPolarHBondContact OD1-CB 3.27Å; D71-S73 PolarHBondContact OD1-N 3.25Å; D71-S73 VanDerWaalsContact OD1-N 3.1Å; D71-S73 PolarHBondContact OD1-OG 3.32Å |
| 74 | K | 91.6 | Very high | 86.4 | Confident | 155 Ų | 155 | 122.7 Ų | 122.7 | 67% | 0.674 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -94.1 | -5.8 | -178.6 | -65.6 | 176.4 | -179.1 | 139.3 | 0 | 113.4 | D71 Y72 | D71-K74 HydrophobicContact CB-CD 4.29Å; D71-K74 PolarHBondContact O-N 2.92Å; D71-K74 VanDerWaalsContact OD2-CD 3.27Å; D71-K74 WeakPolarHBondContact OD2-CD 3.48Å; D71-K74 WeakPolarHBondContact OD2-CE 3.39Å; D71-K74 IonicContact OD2-NZ 2.73Å; D71-K74 PolarHBondContact OD2-NZ 2.85Å; Y72-K74 PolarHBondContact O-N 2.8Å |
| 75 | L | 89.9 | Confident | 86.2 | Confident | 65 Ų | 65 | 123.9 Ų | 123.9 | 34% | 0.34 | 61% | 0.611 | S | S | . | * | trans | -67.6 | 145.6 | 177.3 | -66.2 | 173.4 | 0 | 0 | 0 | 109.2 | P59 N60 M70 Y72 | P59-L75 HydrophobicContact CB-CB 4.4Å; P59-L75 WeakPolarHBondContact O-CB 3.29Å; P59-L75 VanDerWaalsContact O-CD1 3.29Å; P59-L75 WeakPolarHBondContact O-CD1 2.97Å; N60-L75 PolarHBondContact OD1-O 2.94Å; M70-L75 HydrophobicContact SD-CD1 4.29Å; Y72-L75 HydrophobicContact CD1-CD1 3.6Å; Y72-L75 HydrophobicContact CE1-CD1 4.1Å; Y72-L75 HydrophobicContact CG-CD1 4.03Å; Y72-L75 PolarHBondContact O-N 2.89Å | ||
| 76 | K | 87.9 | Confident | 86 | Confident | 186 Ų | 186 | 125.1 Ų | 125.1 | 81% | 0.809 | 62% | 0.62 | S | S | * | * | trans | -125.2 | 152.5 | 177.2 | -67 | -174 | -178.9 | -178.4 | 0 | 108.5 | D78 | K76-D78 PolarHBondContact O-N 3.42Š| ||
| 77 | K | 83.3 | Confident | 85.7 | Confident | 111 Ų | 111 | 123.5 Ų | 123.5 | 48% | 0.483 | 62% | 0.618 | S | S | . | * | trans | -67.7 | 117.2 | 172.7 | -162.5 | 177.1 | 172.7 | 154.2 | 0 | 108.1 | P59 R79 D81 | P59-K77 HydrophobicContact CG-CB 3.61Å; P59-K77 HydrophobicContact CG-CG 4.05Å; K77-R79 WeakPolarHBondContact CD-O 3.25Å; K77-R79 WeakPolarHBondContact CE-O 3.29Å; K77-R79 VanDerWaalsContact CG-O 3.29Å; K77-R79 WeakPolarHBondContact CG-O 3.04Å; K77-D81 IonicContact NZ-OD1 2.55Å; K77-D81 PolarHBondContact NZ-OD1 2.94Å | ||
| 78 | D | 83.8 | Confident | 85.4 | Confident | 152 Ų | 152 | 127.8 Ų | 127.8 | 81% | 0.813 | 64% | 0.635 | S | S | * | * | trans | -86.5 | -18 | -179.6 | -172.3 | 50.2 | 0 | 0 | 0 | 112.5 | K76 | K76-D78 PolarHBondContact O-N 3.42Š| ||
| 79 | R | 80 | Confident | 85.1 | Confident | 194 Ų | 194 | 127.9 Ų | 127.9 | 73% | 0.732 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -120.7 | 155.1 | -172.2 | -61.1 | -178.6 | -176.9 | 165.5 | -0.5 | 112 | K77 | K77-R79 WeakPolarHBondContact CD-O 3.25Å; K77-R79 WeakPolarHBondContact CE-O 3.29Å; K77-R79 VanDerWaalsContact CG-O 3.29Å; K77-R79 WeakPolarHBondContact CG-O 3.04Å |
| 80 | P | 80.1 | Confident | 84.6 | Confident | 108 Ų | 108 | 125.6 Ų | 125.6 | 70% | 0.701 | 61% | 0.609 | S | S | * | * | trans | -60.8 | 162.5 | 174.1 | -19.1 | 31 | 0 | 0 | 0 | 112.8 | ||||
| 81 | D | 75.8 | Confident | 84.2 | Confident | 136 Ų | 136 | 127.8 Ų | 127.8 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | trans | -65.5 | 139.6 | 163 | -64.8 | -57.3 | 0 | 0 | 0 | 109.8 | K77 | K77-D81 IonicContact NZ-OD1 2.55Å; K77-D81 PolarHBondContact NZ-OD1 2.94Å | ||
| 82 | F | 66.3 | Low | 83.6 | Confident | 249 Ų | 249 | 133.1 Ų | 133.1 | 100% | 1.092 | 64% | 0.641 | S | S | * | * | trans | -97.4 | 0 | 174.5 | -102.9 | -83.4 | 0 | 0 | 0 | 110.2 |
Retrieved 82 of 82 residues in 70.7 ms
(Link to these results)