| 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 | 41.6 | Very low | 39.9 | Very low | 219 Ų | 219 | 116.4 Ų | 116.4 | 100% | 1.079 | 62% | 0.624 | S | S | * | * | 0 | -24.9 | 0 | -144.8 | 135.3 | 126.3 | 0 | 0 | 113.7 | |||||
| 2 | F | 33.9 | Very low | 40 | Very low | 185 Ų | 185 | 107.5 Ų | 107.5 | 81% | 0.811 | 58% | 0.58 | S | S | * | * | trans | -81.6 | -24 | 179.2 | -68.1 | -82.5 | 0 | 0 | 0 | 119.5 | G4 | F2-G4 PolarHBondContact O-N 3.45Š| ||
| 3 | P | 42.6 | Very low | 40.2 | Very low | 85 Ų | 85 | 110.7 Ų | 110.7 | 55% | 0.552 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -75.1 | -27.9 | -170 | 25.9 | -31.7 | 0 | 0 | 0 | 113.9 | V5 F6 Y7 | P3-V5 PolarHBondContact O-N 3.33Å; P3-F6 WeakPolarHBondContact O-CB 3.48Å; P3-F6 PolarHBondContact O-N 3.45Å; P3-Y7 WeakPolarHBondContact O-CD2 3.45Å; P3-Y7 PolarHBondContact O-N 3.42Å |
| 4 | G | 36.1 | Very low | 40.4 | Very low | 48 Ų | 48 | 107.3 Ų | 107.3 | 50% | 0.495 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69 | -33 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | F2 F6 Y7 A8 | F2-G4 PolarHBondContact O-N 3.45Å; G4-F6 VanDerWaalsContact C-N 3.34Å; G4-Y7 PolarHBondContact O-N 3.33Å; G4-A8 PolarHBondContact O-N 2.98Å; G4-A8 VanDerWaalsContact O-N 3.12Å |
| 5 | V | 38.9 | Very low | 40.5 | Very low | 93 Ų | 93 | 101.3 Ų | 101.3 | 56% | 0.564 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.2 | -38.2 | 176 | 178.7 | 0 | 0 | 0 | 0 | 110.5 | P3 Y7 A8 L9 | P3-V5 PolarHBondContact O-N 3.33Å; V5-Y7 PolarHBondContact O-N 3.48Å; V5-A8 PolarHBondContact O-N 3.48Å; V5-L9 HydrophobicContact CG1-CD1 4.05Å; V5-L9 HydrophobicContact CG1-CG 4.47Å; V5-L9 WeakPolarHBondContact O-CB 3.19Å; V5-L9 VanDerWaalsContact O-CG 3.26Å; V5-L9 WeakPolarHBondContact O-CG 3.26Å; V5-L9 PolarHBondContact O-N 3.12Å |
| 6 | F | 40.2 | Very low | 40.6 | Very low | 155 Ų | 155 | 96.1 Ų | 96.1 | 68% | 0.68 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.3 | -40.1 | 177.3 | -142.6 | -91.8 | 0 | 0 | 0 | 112.1 | P3 G4 L9 L10 | P3-F6 WeakPolarHBondContact O-CB 3.48Å; P3-F6 PolarHBondContact O-N 3.45Å; G4-F6 VanDerWaalsContact C-N 3.34Å; F6-L9 PolarHBondContact O-N 2.91Å; F6-L10 PolarHBondContact O-N 3.25Å; F6-L10 VanDerWaalsContact O-N 3.1Å |
| 7 | Y | 39.2 | Very low | 40.9 | Very low | 176 Ų | 176 | 93.6 Ų | 93.6 | 69% | 0.69 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69 | -36.1 | 175.9 | -88.9 | -75.7 | 0 | 0 | 0 | 113.3 | P3 G4 V5 L10 A11 | P3-Y7 WeakPolarHBondContact O-CD2 3.45Å; P3-Y7 PolarHBondContact O-N 3.42Å; G4-Y7 PolarHBondContact O-N 3.33Å; V5-Y7 PolarHBondContact O-N 3.48Å; Y7-L10 PolarHBondContact O-N 2.95Å; Y7-A11 WeakPolarHBondContact O-CB 3.49Å; Y7-A11 PolarHBondContact O-N 3.42Å |
| 8 | A | 39.8 | Very low | 40.9 | Very low | 52 Ų | 52 | 90.1 Ų | 90.1 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G4 V5 L10 A11 G12 | G4-A8 PolarHBondContact O-N 2.98Å; G4-A8 VanDerWaalsContact O-N 3.12Å; V5-A8 PolarHBondContact O-N 3.48Å; A8-L10 VanDerWaalsContact C-N 3.33Å; A8-A11 PolarHBondContact O-N 3.07Å; A8-G12 PolarHBondContact O-N 2.86Å |
| 9 | L | 40.5 | Very low | 41.1 | Very low | 119 Ų | 119 | 87.3 Ų | 87.3 | 62% | 0.623 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.2 | -40.1 | 174.7 | -73.5 | 169.1 | 0 | 0 | 0 | 111.8 | V5 F6 G12 F13 | V5-L9 HydrophobicContact CG1-CD1 4.05Å; V5-L9 HydrophobicContact CG1-CG 4.47Å; V5-L9 WeakPolarHBondContact O-CB 3.19Å; V5-L9 VanDerWaalsContact O-CG 3.26Å; V5-L9 WeakPolarHBondContact O-CG 3.26Å; V5-L9 PolarHBondContact O-N 3.12Å; F6-L9 PolarHBondContact O-N 2.91Å; L9-G12 PolarHBondContact O-N 2.79Å; L9-F13 WeakPolarHBondContact O-CB 3.35Å; L9-F13 PolarHBondContact O-N 3.31Å |
| 10 | L | 44.2 | Very low | 41 | Very low | 95 Ų | 95 | 86 Ų | 86 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68 | -41.7 | 178 | -152 | 77.3 | 0 | 0 | 0 | 111.9 | F6 Y7 A8 G12 F13 L14 | F6-L10 PolarHBondContact O-N 3.25Å; F6-L10 VanDerWaalsContact O-N 3.1Å; Y7-L10 PolarHBondContact O-N 2.95Å; A8-L10 VanDerWaalsContact C-N 3.33Å; L10-G12 VanDerWaalsContact C-N 3.35Å; L10-F13 PolarHBondContact O-N 3.49Å; L10-L14 HydrophobicContact CG-CD1 4.41Å; L10-L14 VanDerWaalsContact O-CD1 3.28Å; L10-L14 WeakPolarHBondContact O-CD1 3.36Å; L10-L14 WeakPolarHBondContact O-CG 3.49Å; L10-L14 PolarHBondContact O-N 3.3Å; L10-L14 VanDerWaalsContact O-N 3.08Å |
| 11 | A | 41.4 | Very low | 41.1 | Very low | 53 Ų | 53 | 82.9 Ų | 82.9 | 44% | 0.438 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y7 A8 G15 | Y7-A11 WeakPolarHBondContact O-CB 3.49Å; Y7-A11 PolarHBondContact O-N 3.42Å; A8-A11 PolarHBondContact O-N 3.07Å; A11-G15 PolarHBondContact O-N 3.36Å; A11-G15 VanDerWaalsContact O-N 3.15Å |
| 12 | G | 41.9 | Very low | 41.1 | Very low | 10 Ų | 10 | 75 Ų | 75 | 10% | 0.103 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A8 L9 L10 L14 G15 A16 L111 | A8-G12 PolarHBondContact O-N 2.86Å; L9-G12 PolarHBondContact O-N 2.79Å; L10-G12 VanDerWaalsContact C-N 3.35Å; G12-L14 VanDerWaalsContact C-N 3.27Å; G12-L14 PolarHBondContact O-N 3.35Å; G12-G15 PolarHBondContact O-N 2.89Å; G12-A16 PolarHBondContact O-N 2.84Å; G12-L111 VanDerWaalsContact CA-CD1 3.45Å; G12-L111 WeakPolarHBondContact O-CD1 3.27Å |
| 13 | F | 42.1 | Very low | 41.5 | Very low | 149 Ų | 149 | 71.1 Ų | 71.1 | 65% | 0.654 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -59.1 | -39.8 | 178 | -165.8 | -98 | 0 | 0 | 0 | 112.2 | L9 L10 A16 V17 | L9-F13 WeakPolarHBondContact O-CB 3.35Å; L9-F13 PolarHBondContact O-N 3.31Å; L10-F13 PolarHBondContact O-N 3.49Å; F13-A16 PolarHBondContact O-N 3.48Å; F13-V17 HydrophobicContact CD1-CG2 4.48Å; F13-V17 HydrophobicContact CE1-CG2 4.34Å; F13-V17 WeakPolarHBondContact O-CG2 3.46Å; F13-V17 PolarHBondContact O-N 3.48Å; F13-V17 VanDerWaalsContact O-N 3.11Å |
| 14 | L | 43.4 | Very low | 41.6 | Very low | 63 Ų | 63 | 71.4 Ų | 71.4 | 33% | 0.33 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -71.1 | -35.4 | 178.9 | -72.2 | 156.5 | 0 | 0 | 0 | 113.2 | L10 G12 V17 A18 L71 | L10-L14 HydrophobicContact CG-CD1 4.41Å; L10-L14 VanDerWaalsContact O-CD1 3.28Å; L10-L14 WeakPolarHBondContact O-CD1 3.36Å; L10-L14 WeakPolarHBondContact O-CG 3.49Å; L10-L14 PolarHBondContact O-N 3.3Å; L10-L14 VanDerWaalsContact O-N 3.08Å; G12-L14 VanDerWaalsContact C-N 3.27Å; G12-L14 PolarHBondContact O-N 3.35Å; L14-V17 PolarHBondContact O-N 3.27Å; L14-A18 WeakPolarHBondContact O-CB 3.17Å; L14-A18 PolarHBondContact O-N 3.35Å; L14-L71 HydrophobicContact CB-CD1 3.53Å; L14-L71 HydrophobicContact CB-CD2 3.87Å; L14-L71 HydrophobicContact CB-CG 4.37Å; L14-L71 HydrophobicContact CD1-CD1 3.88Å; L14-L71 HydrophobicContact CD2-CD1 4.23Å; L14-L71 HydrophobicContact CG-CD1 4.09Å; L14-L71 WeakPolarHBondContact O-CD2 3.36Å |
| 15 | G | 42 | Very low | 41.8 | Very low | 18 Ų | 18 | 71.6 Ų | 71.6 | 19% | 0.186 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -71.5 | -33.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A11 G12 A18 S19 | A11-G15 PolarHBondContact O-N 3.36Å; A11-G15 VanDerWaalsContact O-N 3.15Å; G12-G15 PolarHBondContact O-N 2.89Å; G15-A18 PolarHBondContact O-N 3.44Å; G15-S19 PolarHBondContact O-N 3.19Å; G15-S19 VanDerWaalsContact O-N 3.13Å |
| 16 | A | 41.2 | Very low | 42.1 | Very low | 17 Ų | 17 | 74.7 Ų | 74.7 | 14% | 0.14 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | G12 F13 A18 S19 S20 L114 | G12-A16 PolarHBondContact O-N 2.84Å; F13-A16 PolarHBondContact O-N 3.48Å; A16-A18 VanDerWaalsContact C-N 3.33Å; A16-A18 PolarHBondContact O-N 3.11Å; A16-S19 PolarHBondContact O-N 3Å; A16-S20 PolarHBondContact O-N 3.45Å; A16-S20 VanDerWaalsContact O-N 3.11Å; A16-S20 PolarHBondContact O-OG 2.94Å; A16-L114 HydrophobicContact CB-CD2 4.23Å |
| 17 | V | 46.4 | Very low | 42.5 | Very low | 55 Ų | 55 | 68.1 Ų | 68.1 | 33% | 0.333 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 174.3 | 166.8 | 0 | 0 | 0 | 0 | 111.9 | F13 L14 S19 S20 S21 | F13-V17 HydrophobicContact CD1-CG2 4.48Å; F13-V17 HydrophobicContact CE1-CG2 4.34Å; F13-V17 WeakPolarHBondContact O-CG2 3.46Å; F13-V17 PolarHBondContact O-N 3.48Å; F13-V17 VanDerWaalsContact O-N 3.11Å; L14-V17 PolarHBondContact O-N 3.27Å; V17-S19 VanDerWaalsContact C-N 3.34Å; V17-S19 PolarHBondContact O-N 2.91Å; V17-S20 WeakPolarHBondContact CA-OG 3.26Å; V17-S20 PolarHBondContact O-OG 3.48Å; V17-S21 WeakPolarHBondContact O-CB 3.29Å; V17-S21 PolarHBondContact O-N 3.19Å; V17-S21 PolarHBondContact O-OG 3.35Å |
| 18 | A | 41 | Very low | 43 | Very low | 30 Ų | 30 | 62.4 Ų | 62.4 | 25% | 0.248 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.6 | -35.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | L14 G15 A16 A22 L71 | L14-A18 WeakPolarHBondContact O-CB 3.17Å; L14-A18 PolarHBondContact O-N 3.35Å; G15-A18 PolarHBondContact O-N 3.44Å; A16-A18 VanDerWaalsContact C-N 3.33Å; A16-A18 PolarHBondContact O-N 3.11Å; A18-A22 PolarHBondContact O-N 3.1Å; A18-L71 HydrophobicContact CB-CD2 4.09Å |
| 19 | S | 43.7 | Very low | 43.6 | Very low | 36 Ų | 36 | 66.3 Ų | 66.3 | 25% | 0.252 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -81 | -37 | -179.4 | -168.8 | 0 | 0 | 0 | 0 | 113.7 | G15 A16 V17 S21 A22 K23 I115 | G15-S19 PolarHBondContact O-N 3.19Å; G15-S19 VanDerWaalsContact O-N 3.13Å; A16-S19 PolarHBondContact O-N 3Å; V17-S19 VanDerWaalsContact C-N 3.34Å; V17-S19 PolarHBondContact O-N 2.91Å; S19-S21 PolarHBondContact O-N 3.47Å; S19-A22 PolarHBondContact O-N 2.93Å; S19-A22 VanDerWaalsContact O-N 3.14Å; S19-K23 PolarHBondContact O-N 3.47Å; S19-K23 VanDerWaalsContact O-N 3.15Å; S19-I115 WeakPolarHBondContact OG-CD1 3.36Å; S19-I115 WeakPolarHBondContact OG-CG2 3.15Å |
| 20 | S | 40 | Very low | 44 | Very low | 61 Ų | 61 | 69 Ų | 69 | 43% | 0.427 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.3 | -34.5 | 169.1 | 32.8 | 0 | 0 | 0 | 0 | 111.5 | A16 V17 L24 | A16-S20 PolarHBondContact O-N 3.45Å; A16-S20 VanDerWaalsContact O-N 3.11Å; A16-S20 PolarHBondContact O-OG 2.94Å; V17-S20 WeakPolarHBondContact CA-OG 3.26Å; V17-S20 PolarHBondContact O-OG 3.48Å; S20-L24 WeakPolarHBondContact O-CD1 2.9Å; S20-L24 WeakPolarHBondContact O-CG 3.45Å; S20-L24 PolarHBondContact O-N 3.42Å; S20-L24 VanDerWaalsContact O-N 3.16Å |
| 21 | S | 43.2 | Very low | 44.5 | Very low | 22 Ų | 22 | 67.8 Ų | 67.8 | 15% | 0.154 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -74.5 | -30 | 177.3 | -46.8 | 0 | 0 | 0 | 0 | 114 | V17 S19 L24 S25 L64 | V17-S21 WeakPolarHBondContact O-CB 3.29Å; V17-S21 PolarHBondContact O-N 3.19Å; V17-S21 PolarHBondContact O-OG 3.35Å; S19-S21 PolarHBondContact O-N 3.47Å; S21-L24 PolarHBondContact O-N 3.02Å; S21-S25 WeakPolarHBondContact O-CB 3.48Å; S21-S25 PolarHBondContact O-N 2.9Å; S21-L64 WeakPolarHBondContact O-CD2 3.33Å |
| 22 | A | 42.3 | Very low | 45.1 | Very low | 53 Ų | 53 | 71.6 Ų | 71.6 | 44% | 0.438 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -72.6 | -36 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A18 S19 S25 L26 | A18-A22 PolarHBondContact O-N 3.1Å; S19-A22 PolarHBondContact O-N 2.93Å; S19-A22 VanDerWaalsContact O-N 3.14Å; A22-S25 PolarHBondContact O-N 3.48Å; A22-L26 PolarHBondContact O-N 3.5Å |
| 23 | K | 42 | Very low | 45.8 | Very low | 104 Ų | 104 | 72.7 Ų | 72.7 | 45% | 0.452 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.2 | -35.8 | 170.7 | -98.8 | 174.2 | 179.4 | 162.9 | 0 | 112.2 | S19 S25 G27 I115 | S19-K23 PolarHBondContact O-N 3.47Å; S19-K23 VanDerWaalsContact O-N 3.15Å; K23-S25 VanDerWaalsContact C-N 3.33Å; K23-G27 PolarHBondContact O-N 3Å; K23-I115 PolarHBondContact NZ-O 3.01Å |
| 24 | L | 44 | Very low | 46.6 | Very low | 90 Ų | 90 | 69.2 Ų | 69.2 | 47% | 0.471 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.3 | -31.3 | 170.6 | -78.2 | 159.8 | 0 | 0 | 0 | 112.5 | S20 S21 G27 A28 L31 | S20-L24 WeakPolarHBondContact O-CD1 2.9Å; S20-L24 WeakPolarHBondContact O-CG 3.45Å; S20-L24 PolarHBondContact O-N 3.42Å; S20-L24 VanDerWaalsContact O-N 3.16Å; S21-L24 PolarHBondContact O-N 3.02Å; L24-G27 CarbonylContact O-C 3.32Å; L24-G27 VanDerWaalsContact O-C 3.32Å; L24-G27 PolarHBondContact O-N 3.09Å; L24-A28 PolarHBondContact O-N 2.88Å; L24-A28 VanDerWaalsContact O-N 3.16Å; L24-L31 HydrophobicContact CD2-CD1 3.48Å; L24-L31 VanDerWaalsContact CD2-CD1 3.48Å; L24-L31 HydrophobicContact CD2-CD2 3.93Å; L24-L31 HydrophobicContact CD2-CG 4.37Å |
| 25 | S | 39.8 | Very low | 47.4 | Very low | 53 Ų | 53 | 69 Ų | 69 | 37% | 0.371 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -75 | -32.9 | 177.5 | -171.6 | 0 | 0 | 0 | 0 | 113.9 | S21 A22 K23 G27 | S21-S25 WeakPolarHBondContact O-CB 3.48Å; S21-S25 PolarHBondContact O-N 2.9Å; A22-S25 PolarHBondContact O-N 3.48Å; K23-S25 VanDerWaalsContact C-N 3.33Å; S25-G27 VanDerWaalsContact C-N 3.34Å |
| 26 | L | 45.1 | Very low | 48.2 | Very low | 158 Ų | 158 | 73.4 Ų | 73.4 | 83% | 0.827 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -78.5 | -22.4 | 168.5 | -76 | 162.3 | 0 | 0 | 0 | 112 | A22 A28 | A22-L26 PolarHBondContact O-N 3.5Å; L26-A28 VanDerWaalsContact C-N 3.32Å |
| 27 | G | 48.3 | Very low | 49.2 | Very low | 17 Ų | 17 | 76.9 Ų | 76.9 | 18% | 0.175 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 13.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K23 L24 S25 D29 Y30 L31 | K23-G27 PolarHBondContact O-N 3Å; L24-G27 CarbonylContact O-C 3.32Å; L24-G27 VanDerWaalsContact O-C 3.32Å; L24-G27 PolarHBondContact O-N 3.09Å; S25-G27 VanDerWaalsContact C-N 3.34Å; G27-D29 PolarHBondContact O-N 3.02Å; G27-Y30 CarbonylContact O-C 3.54Å; G27-Y30 WeakPolarHBondContact O-CA 3.14Å; G27-Y30 WeakPolarHBondContact O-CB 3.26Å; G27-Y30 PolarHBondContact O-N 2.99Å; G27-L31 PolarHBondContact O-N 3.02Å |
| 28 | A | 50.3 | Low | 50 | Low | 55 Ų | 55 | 75.7 Ų | 75.7 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -55.2 | -35.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L24 L26 K32 | L24-A28 PolarHBondContact O-N 2.88Å; L24-A28 VanDerWaalsContact O-N 3.16Å; L26-A28 VanDerWaalsContact C-N 3.32Å; A28-K32 WeakPolarHBondContact O-CB 3.2Å; A28-K32 PolarHBondContact O-N 3.36Å |
| 29 | D | 52.2 | Low | 50.8 | Low | 134 Ų | 134 | 78.8 Ų | 78.8 | 72% | 0.717 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -70.6 | -37.2 | 173.1 | -69.8 | -64.6 | 0 | 0 | 0 | 113.2 | G27 G33 | G27-D29 PolarHBondContact O-N 3.02Å; D29-G33 PolarHBondContact O-N 3.38Å |
| 30 | Y | 48.9 | Very low | 51.3 | Low | 175 Ų | 175 | 86.6 Ų | 86.6 | 69% | 0.686 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -71.3 | -41.3 | 176.6 | -174.4 | -101.5 | 0 | 0 | 0 | 111.6 | G27 G33 V34 | G27-Y30 CarbonylContact O-C 3.54Å; G27-Y30 WeakPolarHBondContact O-CA 3.14Å; G27-Y30 WeakPolarHBondContact O-CB 3.26Å; G27-Y30 PolarHBondContact O-N 2.99Å; Y30-G33 PolarHBondContact O-N 2.98Å; Y30-V34 HydrophobicContact CD1-CG2 4.18Å; Y30-V34 HydrophobicContact CE1-CG2 3.84Å; Y30-V34 WeakPolarHBondContact O-CG2 3.44Å; Y30-V34 PolarHBondContact O-N 3.31Å |
| 31 | L | 54.3 | Low | 52.2 | Low | 71 Ų | 71 | 88.2 Ų | 88.2 | 37% | 0.372 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.3 | -36.6 | 175.6 | -124.1 | 78.2 | 0 | 0 | 0 | 111.4 | L24 G27 G33 V34 C35 | L24-L31 HydrophobicContact CD2-CD1 3.48Å; L24-L31 VanDerWaalsContact CD2-CD1 3.48Å; L24-L31 HydrophobicContact CD2-CD2 3.93Å; L24-L31 HydrophobicContact CD2-CG 4.37Å; G27-L31 PolarHBondContact O-N 3.02Å; L31-G33 VanDerWaalsContact C-N 3.33Å; L31-V34 PolarHBondContact O-N 3.37Å; L31-C35 WeakPolarHBondContact O-CA 3.31Å; L31-C35 WeakPolarHBondContact O-CB 3.46Å; L31-C35 PolarHBondContact O-N 3.03Å |
| 32 | K | 54.8 | Low | 52.6 | Low | 133 Ų | 133 | 95.4 Ų | 95.4 | 58% | 0.578 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.6 | -45.4 | 171.7 | -168.8 | 179.8 | -175.4 | -177.4 | 0 | 110.5 | A28 E36 | A28-K32 WeakPolarHBondContact O-CB 3.2Å; A28-K32 PolarHBondContact O-N 3.36Å; K32-E36 WeakPolarHBondContact O-CB 3.37Å; K32-E36 PolarHBondContact O-N 3.48Å |
| 33 | G | 57.2 | Low | 53 | Low | 32 Ų | 32 | 95.1 Ų | 95.1 | 33% | 0.33 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D29 Y30 L31 T37 | D29-G33 PolarHBondContact O-N 3.38Å; Y30-G33 PolarHBondContact O-N 2.98Å; L31-G33 VanDerWaalsContact C-N 3.33Å; G33-T37 VanDerWaalsContact O-CB 3.29Å; G33-T37 WeakPolarHBondContact O-CB 3.26Å; G33-T37 PolarHBondContact O-N 2.94Å; G33-T37 PolarHBondContact O-OG1 2.96Å |
| 34 | V | 57.8 | Low | 53.3 | Low | 77 Ų | 77 | 98.2 Ų | 98.2 | 47% | 0.467 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.8 | -35.9 | 178.7 | 175 | 0 | 0 | 0 | 0 | 111.9 | Y30 L31 G38 | Y30-V34 HydrophobicContact CD1-CG2 4.18Å; Y30-V34 HydrophobicContact CE1-CG2 3.84Å; Y30-V34 WeakPolarHBondContact O-CG2 3.44Å; Y30-V34 PolarHBondContact O-N 3.31Å; L31-V34 PolarHBondContact O-N 3.37Å; V34-G38 WeakPolarHBondContact O-CA 3.49Å; V34-G38 PolarHBondContact O-N 3.5Å |
| 35 | C | 59.8 | Low | 53.5 | Low | 58 Ų | 58 | 101.8 Ų | 101.8 | 39% | 0.392 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.5 | -45.5 | 173.9 | -173.8 | 0 | 0 | 0 | 0 | 110.6 | L31 T37 G38 L39 C57 | L31-C35 WeakPolarHBondContact O-CA 3.31Å; L31-C35 WeakPolarHBondContact O-CB 3.46Å; L31-C35 PolarHBondContact O-N 3.03Å; C35-T37 PolarHBondContact O-N 2.9Å; C35-G38 PolarHBondContact O-N 3.36Å; C35-L39 WeakPolarHBondContact O-CB 3.29Å; C35-L39 PolarHBondContact O-N 3.42Å; C35-C57 VanDerWaalsContact SG-SG 3.62Å |
| 36 | E | 60 | Low | 53.8 | Low | 110 Ų | 110 | 107.7 Ų | 107.7 | 51% | 0.514 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.9 | -38 | 176.7 | -167.5 | 174.3 | 160.3 | 0 | 0 | 112 | K32 L39 R40 | K32-E36 WeakPolarHBondContact O-CB 3.37Å; K32-E36 PolarHBondContact O-N 3.48Å; E36-L39 PolarHBondContact O-N 2.84Å; E36-R40 PolarHBondContact O-N 3.36Å |
| 37 | T | 62 | Low | 53.8 | Low | 91 Ų | 91 | 110.2 Ų | 110.2 | 56% | 0.558 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72.1 | -38.9 | 175.6 | -49.8 | 0 | 0 | 0 | 0 | 112 | G33 C35 L39 R40 T41 | G33-T37 VanDerWaalsContact O-CB 3.29Å; G33-T37 WeakPolarHBondContact O-CB 3.26Å; G33-T37 PolarHBondContact O-N 2.94Å; G33-T37 PolarHBondContact O-OG1 2.96Å; C35-T37 PolarHBondContact O-N 2.9Å; T37-L39 VanDerWaalsContact C-N 3.34Å; T37-R40 PolarHBondContact O-N 3.28Å; T37-T41 WeakPolarHBondContact O-CG2 3.25Å; T37-T41 PolarHBondContact O-N 3.5Å; T37-T41 VanDerWaalsContact O-N 3.08Å; T37-T41 PolarHBondContact O-OG1 2.88Å |
| 38 | G | 62.3 | Low | 53.6 | Low | 29 Ų | 29 | 117.3 Ų | 117.3 | 30% | 0.299 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.6 | -39.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V34 C35 T41 W42 | V34-G38 WeakPolarHBondContact O-CA 3.49Å; V34-G38 PolarHBondContact O-N 3.5Å; C35-G38 PolarHBondContact O-N 3.36Å; G38-T41 VanDerWaalsContact CA-OG1 3.31Å; G38-T41 WeakPolarHBondContact CA-OG1 3.28Å; G38-T41 PolarHBondContact O-N 2.81Å; G38-T41 PolarHBondContact O-OG1 3.44Å; G38-W42 WeakPolarHBondContact O-CB 3.41Å; G38-W42 PolarHBondContact O-N 3.04Å |
| 39 | L | 58.2 | Low | 53.4 | Low | 96 Ų | 96 | 124.4 Ų | 124.4 | 50% | 0.503 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.2 | -37.1 | 176.7 | -161.6 | 76.8 | 0 | 0 | 0 | 111.4 | C35 E36 T37 G43 | C35-L39 WeakPolarHBondContact O-CB 3.29Å; C35-L39 PolarHBondContact O-N 3.42Å; E36-L39 PolarHBondContact O-N 2.84Å; T37-L39 VanDerWaalsContact C-N 3.34Å; L39-G43 WeakPolarHBondContact O-CA 3.24Å; L39-G43 PolarHBondContact O-N 2.84Å |
| 40 | R | 54.9 | Low | 52.8 | Low | 200 Ų | 200 | 124.1 Ų | 124.1 | 76% | 0.755 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.8 | -36.7 | 173.3 | -79.2 | -153.8 | 163.2 | 144.7 | 3 | 113.5 | E36 T37 | E36-R40 PolarHBondContact O-N 3.36Å; T37-R40 PolarHBondContact O-N 3.28Å |
| 41 | T | 58.9 | Low | 52.6 | Low | 95 Ų | 95 | 121 Ų | 121 | 58% | 0.583 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -75.2 | -34.8 | 177.9 | 47.4 | 0 | 0 | 0 | 0 | 112.5 | T37 G38 | T37-T41 WeakPolarHBondContact O-CG2 3.25Å; T37-T41 PolarHBondContact O-N 3.5Å; T37-T41 VanDerWaalsContact O-N 3.08Å; T37-T41 PolarHBondContact O-OG1 2.88Å; G38-T41 VanDerWaalsContact CA-OG1 3.31Å; G38-T41 WeakPolarHBondContact CA-OG1 3.28Å; G38-T41 PolarHBondContact O-N 2.81Å; G38-T41 PolarHBondContact O-OG1 3.44Å |
| 42 | W | 51.1 | Low | 52.3 | Low | 172 Ų | 172 | 122.6 Ų | 122.6 | 65% | 0.652 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -82.2 | -23.5 | 173.9 | -94.6 | 69.7 | 0 | 0 | 0 | 114.3 | G38 E44 Q45 | G38-W42 WeakPolarHBondContact O-CB 3.41Å; G38-W42 PolarHBondContact O-N 3.04Å; W42-E44 VanDerWaalsContact C-N 3.27Å; W42-E44 PolarHBondContact O-N 3.17Å; W42-Q45 PolarHBondContact O-N 3.37Å; W42-Q45 VanDerWaalsContact O-N 3.14Å |
| 43 | G | 50.3 | Low | 52 | Low | 47 Ų | 47 | 122.2 Ų | 122.2 | 49% | 0.485 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.2 | -22.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L39 Q45 | L39-G43 WeakPolarHBondContact O-CA 3.24Å; L39-G43 PolarHBondContact O-N 2.84Å; G43-Q45 VanDerWaalsContact C-N 3.29Å; G43-Q45 PolarHBondContact O-N 2.82Å |
| 44 | E | 49.7 | Very low | 51.8 | Low | 169 Ų | 169 | 125.3 Ų | 125.3 | 79% | 0.79 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -28.6 | 172 | -114.5 | -66 | 121.4 | 0 | 0 | 112.2 | W42 | W42-E44 VanDerWaalsContact C-N 3.27Å; W42-E44 PolarHBondContact O-N 3.17Å |
| 45 | Q | 47.1 | Very low | 51.5 | Low | 166 Ų | 166 | 124.8 Ų | 124.8 | 78% | 0.776 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -22.5 | -177.6 | -91.1 | -76.8 | -57.2 | 0 | 0 | 114.3 | W42 G43 | W42-Q45 PolarHBondContact O-N 3.37Å; W42-Q45 VanDerWaalsContact O-N 3.14Å; G43-Q45 VanDerWaalsContact C-N 3.29Å; G43-Q45 PolarHBondContact O-N 2.82Å |
| 46 | R | 46.8 | Very low | 51.2 | Low | 176 Ų | 176 | 124.6 Ų | 124.6 | 66% | 0.664 | 61% | 0.614 | S | S | * | * | trans | -129.5 | 75.4 | -174.3 | -71.8 | -155.1 | -82.7 | 174.9 | -4.8 | 112.5 | F48 | R46-F48 PolarHBondContact O-N 3.31Š| ||
| 47 | K | 45.5 | Very low | 50.9 | Low | 211 Ų | 211 | 122.4 Ų | 122.4 | 92% | 0.917 | 61% | 0.61 | S | S | * | * | trans | -64.7 | 13.5 | 169.1 | -138.2 | 175.2 | -166.7 | 172 | 0 | 114.8 | ||||
| 48 | F | 43.3 | Very low | 50.6 | Low | 167 Ų | 167 | 124.4 Ų | 124.4 | 73% | 0.732 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -130.8 | 96.6 | 177.4 | -155.3 | -100.3 | 0 | 0 | 0 | 110.9 | R46 | R46-F48 PolarHBondContact O-N 3.31Š|
| 49 | R | 45.7 | Very low | 50.2 | Low | 204 Ų | 204 | 130.9 Ų | 130.9 | 77% | 0.77 | 63% | 0.633 | S | S | * | * | trans | 70.3 | 103.3 | 140.2 | -166.3 | 156.6 | -136.7 | 156 | 4.1 | 118 | ||||
| 50 | Q | 40.9 | Very low | 49.9 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 59% | 0.593 | 64% | 0.637 | S | S | * | * | -172.4 | 131.1 | 123.9 | -91.5 | -124.8 | -3.7 | 0 | 0 | 111.7 | |||||
| 51 | P | 44.8 | Very low | 49.9 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 72% | 0.721 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -89.3 | 3.6 | 172.9 | 22.7 | -10 | 0 | 0 | 0 | 114.8 | ||
| 52 | D | 46.6 | Very low | 49.9 | Very low | 103 Ų | 103 | 125.2 Ų | 125.2 | 55% | 0.551 | 61% | 0.611 | S | S | * | * | trans | -89.1 | -13 | -172.2 | -97.7 | -42.6 | 0 | 0 | 0 | 115.3 | T54 T55 | D52-T54 VanDerWaalsContact C-N 3.32Å; D52-T54 PolarHBondContact O-N 3.44Å; D52-T55 PolarHBondContact O-N 3.15Å | ||
| 53 | E | 49.7 | Very low | 50.1 | Low | 125 Ų | 125 | 120.4 Ų | 120.4 | 58% | 0.584 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -74.2 | -19.5 | -171 | -61.3 | -69.4 | 141.2 | 0 | 0 | 113.4 | ||
| 54 | T | 51.7 | Low | 50.2 | Low | 98 Ų | 98 | 120.1 Ų | 120.1 | 60% | 0.601 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -72.7 | -29.7 | 175 | 50.7 | 0 | 0 | 0 | 0 | 112.4 | D52 A56 | D52-T54 VanDerWaalsContact C-N 3.32Å; D52-T54 PolarHBondContact O-N 3.44Å; T54-A56 VanDerWaalsContact C-N 3.33Å |
| 55 | T | 52.9 | Low | 50.5 | Low | 66 Ų | 66 | 120.5 Ų | 120.5 | 41% | 0.405 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -73.6 | -27.7 | 179.8 | -49.3 | 0 | 0 | 0 | 0 | 111.6 | D52 C57 D58 W59 | D52-T55 PolarHBondContact O-N 3.15Å; T55-C57 VanDerWaalsContact C-N 3.34Å; T55-C57 PolarHBondContact O-N 3.11Å; T55-D58 PolarHBondContact O-N 3.25Å; T55-W59 VanDerWaalsContact O-CD1 3.31Å; T55-W59 PolarHBondContact O-N 3.08Å |
| 56 | A | 53.2 | Low | 50.7 | Low | 53 Ų | 53 | 119.2 Ų | 119.2 | 44% | 0.438 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.7 | -32.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T54 | T54-A56 VanDerWaalsContact C-N 3.33Å |
| 57 | C | 53.1 | Low | 51 | Low | 65 Ų | 65 | 115.5 Ų | 115.5 | 44% | 0.439 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.7 | -40.2 | 177.4 | -99.2 | 0 | 0 | 0 | 0 | 112.8 | C35 T55 | C35-C57 VanDerWaalsContact SG-SG 3.62Å; T55-C57 VanDerWaalsContact C-N 3.34Å; T55-C57 PolarHBondContact O-N 3.11Å |
| 58 | D | 55.7 | Low | 51.2 | Low | 133 Ų | 133 | 108.2 Ų | 108.2 | 71% | 0.711 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -73.1 | -31.2 | 178 | -77.1 | -35.5 | 0 | 0 | 0 | 112.3 | T55 L60 | T55-D58 PolarHBondContact O-N 3.25Å; D58-L60 VanDerWaalsContact C-N 3.28Å; D58-L60 PolarHBondContact O-N 3.27Å |
| 59 | W | 54.2 | Low | 51.4 | Low | 165 Ų | 165 | 102.1 Ų | 102.1 | 63% | 0.625 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -9.2 | -179.5 | -92.4 | 82.7 | 0 | 0 | 0 | 115 | T55 I62 P63 | T55-W59 VanDerWaalsContact O-CD1 3.31Å; T55-W59 PolarHBondContact O-N 3.08Å; W59-I62 HydrophobicContact CD2-CD1 3.93Å; W59-I62 HydrophobicContact CE3-CD1 3.66Å; W59-I62 HydrophobicContact CG-CD1 4.46Å; W59-I62 HydrophobicContact CZ3-CD1 4.01Å; W59-P63 WeakPolarHBondContact O-CD 3.41Å |
| 60 | L | 52.4 | Low | 51.4 | Low | 111 Ų | 111 | 94.3 Ų | 94.3 | 58% | 0.581 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -24.7 | -175.4 | -158.2 | 74.1 | 0 | 0 | 0 | 113.7 | D58 I62 P63 | D58-L60 VanDerWaalsContact C-N 3.28Å; D58-L60 PolarHBondContact O-N 3.27Å; L60-I62 VanDerWaalsContact C-N 3.33Å; L60-I62 PolarHBondContact O-N 3.01Å; L60-P63 WeakPolarHBondContact O-CD 3.45Å; L60-P63 WeakPolarHBondContact O-CG 3.49Å |
| 61 | H | 53.8 | Low | 51.9 | Low | 78 Ų | 78 | 90.3 Ų | 90.3 | 36% | 0.361 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.7 | -30.3 | 179 | 172.4 | 71.2 | 0 | 0 | 0 | 113.4 | R65 | H61-R65 VanDerWaalsContact CE1-CZ 3.42Å; H61-R65 PolarHBondContact CE1-NE 3.03Å; H61-R65 PolarHBondContact NE2-NE 3.23Å; H61-R65 PolarHBondContact NE2-NH1 3.48Å; H61-R65 PolarHBondContact O-N 3.42Å; H61-R65 VanDerWaalsContact O-N 3.13Å |
| 62 | I | 60.2 | Low | 52.2 | Low | 83 Ų | 83 | 90.8 Ų | 90.8 | 43% | 0.426 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.9 | -54.1 | -177.2 | -62.7 | 155.4 | 0 | 0 | 0 | 112.6 | W59 L60 L64 R65 L66 | W59-I62 HydrophobicContact CD2-CD1 3.93Å; W59-I62 HydrophobicContact CE3-CD1 3.66Å; W59-I62 HydrophobicContact CG-CD1 4.46Å; W59-I62 HydrophobicContact CZ3-CD1 4.01Å; L60-I62 VanDerWaalsContact C-N 3.33Å; L60-I62 PolarHBondContact O-N 3.01Å; I62-L64 PolarHBondContact O-N 3.48Å; I62-R65 PolarHBondContact O-N 2.94Å; I62-L66 PolarHBondContact O-N 2.96Å; I62-L66 VanDerWaalsContact O-N 3.13Å |
| 63 | P | 54.4 | Low | 52.4 | Low | 70 Ų | 70 | 93.5 Ų | 93.5 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.3 | -30.6 | 177.6 | 24.6 | -33.4 | 0 | 0 | 0 | 111.7 | W59 L60 L66 L67 | W59-P63 WeakPolarHBondContact O-CD 3.41Å; L60-P63 WeakPolarHBondContact O-CD 3.45Å; L60-P63 WeakPolarHBondContact O-CG 3.49Å; P63-L66 PolarHBondContact O-N 3.36Å; P63-L67 VanDerWaalsContact O-CB 3.25Å; P63-L67 WeakPolarHBondContact O-CB 3.21Å; P63-L67 PolarHBondContact O-N 3.08Å |
| 64 | L | 52.1 | Low | 52.3 | Low | 42 Ų | 42 | 91.2 Ų | 91.2 | 22% | 0.22 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -65.1 | -48 | 176.7 | 174.7 | 52.4 | 0 | 0 | 0 | 112.8 | S21 I62 L66 L67 C68 | S21-L64 WeakPolarHBondContact O-CD2 3.33Å; I62-L64 PolarHBondContact O-N 3.48Å; L64-L66 VanDerWaalsContact C-N 3.33Å; L64-L66 PolarHBondContact O-N 2.89Å; L64-L67 PolarHBondContact O-N 3.02Å; L64-C68 WeakPolarHBondContact O-CB 3.42Å; L64-C68 PolarHBondContact O-N 3.39Å |
| 65 | R | 56.1 | Low | 52.2 | Low | 176 Ų | 176 | 90.3 Ų | 90.3 | 66% | 0.664 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.9 | -39.3 | 175.7 | -85 | -175.4 | 169.4 | 172.5 | 1.1 | 112.3 | H61 I62 L67 C68 G69 | H61-R65 VanDerWaalsContact CE1-CZ 3.42Å; H61-R65 PolarHBondContact CE1-NE 3.03Å; H61-R65 PolarHBondContact NE2-NE 3.23Å; H61-R65 PolarHBondContact NE2-NH1 3.48Å; H61-R65 PolarHBondContact O-N 3.42Å; H61-R65 VanDerWaalsContact O-N 3.13Å; I62-R65 PolarHBondContact O-N 2.94Å; R65-L67 VanDerWaalsContact C-N 3.35Å; R65-C68 PolarHBondContact O-N 3.33Å; R65-G69 PolarHBondContact O-N 2.78Å |
| 66 | L | 52.4 | Low | 52 | Low | 139 Ų | 139 | 91.7 Ų | 91.7 | 73% | 0.728 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.5 | -42.1 | 177.8 | -148.3 | 83.8 | 0 | 0 | 0 | 111.4 | I62 P63 L64 G70 | I62-L66 PolarHBondContact O-N 2.96Å; I62-L66 VanDerWaalsContact O-N 3.13Å; P63-L66 PolarHBondContact O-N 3.36Å; L64-L66 VanDerWaalsContact C-N 3.33Å; L64-L66 PolarHBondContact O-N 2.89Å; L66-G70 PolarHBondContact O-N 3.32Å |
| 67 | L | 52.5 | Low | 51.6 | Low | 98 Ų | 98 | 91.2 Ų | 91.2 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 177 | -172.3 | 68.1 | 0 | 0 | 0 | 111.8 | P63 L64 R65 G70 L71 | P63-L67 VanDerWaalsContact O-CB 3.25Å; P63-L67 WeakPolarHBondContact O-CB 3.21Å; P63-L67 PolarHBondContact O-N 3.08Å; L64-L67 PolarHBondContact O-N 3.02Å; R65-L67 VanDerWaalsContact C-N 3.35Å; L67-G70 PolarHBondContact O-N 3.09Å; L67-L71 WeakPolarHBondContact O-CB 3.26Å; L67-L71 PolarHBondContact O-N 3.01Å |
| 68 | C | 49.1 | Very low | 51.4 | Low | 59 Ų | 59 | 92 Ų | 92 | 40% | 0.399 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 177.4 | -169.5 | 0 | 0 | 0 | 0 | 112.1 | L64 R65 L71 L72 | L64-C68 WeakPolarHBondContact O-CB 3.42Å; L64-C68 PolarHBondContact O-N 3.39Å; R65-C68 PolarHBondContact O-N 3.33Å; C68-L71 PolarHBondContact O-N 3.07Å; C68-L72 WeakPolarHBondContact O-CG 3.12Å; C68-L72 PolarHBondContact O-N 3.35Å |
| 69 | G | 48.5 | Very low | 51.1 | Low | 39 Ų | 39 | 91.3 Ų | 91.3 | 40% | 0.402 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R65 L71 L72 F73 | R65-G69 PolarHBondContact O-N 2.78Å; G69-L71 VanDerWaalsContact C-N 3.32Å; G69-L71 PolarHBondContact O-N 3.08Å; G69-L72 PolarHBondContact O-N 2.98Å; G69-F73 WeakPolarHBondContact O-CB 3.33Å; G69-F73 PolarHBondContact O-N 3.44Å |
| 70 | G | 46.2 | Very low | 50.6 | Low | 39 Ų | 39 | 92.6 Ų | 92.6 | 40% | 0.402 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L66 L67 F73 T74 | L66-G70 PolarHBondContact O-N 3.32Å; L67-G70 PolarHBondContact O-N 3.09Å; G70-F73 PolarHBondContact O-N 2.97Å; G70-T74 PolarHBondContact O-N 3.46Å; G70-T74 PolarHBondContact O-OG1 2.97Å |
| 71 | L | 50.7 | Low | 50.1 | Low | 44 Ų | 44 | 91.3 Ų | 91.3 | 23% | 0.23 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -70.4 | -40.5 | 178.3 | -167.1 | 66.9 | 0 | 0 | 0 | 112.4 | L14 A18 L67 C68 G69 F73 T74 C75 | L14-L71 HydrophobicContact CB-CD1 3.53Å; L14-L71 HydrophobicContact CB-CD2 3.87Å; L14-L71 HydrophobicContact CB-CG 4.37Å; L14-L71 HydrophobicContact CD1-CD1 3.88Å; L14-L71 HydrophobicContact CD2-CD1 4.23Å; L14-L71 HydrophobicContact CG-CD1 4.09Å; L14-L71 WeakPolarHBondContact O-CD2 3.36Å; A18-L71 HydrophobicContact CB-CD2 4.09Å; L67-L71 WeakPolarHBondContact O-CB 3.26Å; L67-L71 PolarHBondContact O-N 3.01Å; C68-L71 PolarHBondContact O-N 3.07Å; G69-L71 VanDerWaalsContact C-N 3.32Å; G69-L71 PolarHBondContact O-N 3.08Å; L71-F73 VanDerWaalsContact C-N 3.33Å; L71-F73 PolarHBondContact O-N 3.48Å; L71-T74 WeakPolarHBondContact CA-OG1 3.48Å; L71-T74 PolarHBondContact O-N 3.15Å; L71-T74 PolarHBondContact O-OG1 3.01Å; L71-C75 VanDerWaalsContact O-CB 3.27Å; L71-C75 WeakPolarHBondContact O-CB 3.35Å; L71-C75 PolarHBondContact O-N 2.93Å |
| 72 | L | 51.6 | Low | 49.9 | Very low | 120 Ų | 120 | 94.1 Ų | 94.1 | 63% | 0.628 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.2 | -42.8 | 173.1 | -75.2 | 169.1 | 0 | 0 | 0 | 111.5 | C68 G69 N76 | C68-L72 WeakPolarHBondContact O-CG 3.12Å; C68-L72 PolarHBondContact O-N 3.35Å; G69-L72 PolarHBondContact O-N 2.98Å; L72-N76 VanDerWaalsContact O-CB 3.24Å; L72-N76 WeakPolarHBondContact O-CB 3.3Å; L72-N76 PolarHBondContact O-N 3.49Å |
| 73 | F | 50.2 | Low | 49.2 | Very low | 160 Ų | 160 | 95.3 Ų | 95.3 | 70% | 0.702 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.1 | -44.8 | 178.8 | -170.5 | -95.7 | 0 | 0 | 0 | 112.3 | G69 G70 L71 N76 A77 | G69-F73 WeakPolarHBondContact O-CB 3.33Å; G69-F73 PolarHBondContact O-N 3.44Å; G70-F73 PolarHBondContact O-N 2.97Å; L71-F73 VanDerWaalsContact C-N 3.33Å; L71-F73 PolarHBondContact O-N 3.48Å; F73-N76 PolarHBondContact O-N 3.01Å; F73-A77 WeakPolarHBondContact O-CB 3.46Å; F73-A77 PolarHBondContact O-N 3.36Å |
| 74 | T | 46.9 | Very low | 48.7 | Very low | 77 Ų | 77 | 94.2 Ų | 94.2 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 177.9 | 29.9 | 0 | 0 | 0 | 0 | 112.3 | G70 L71 N76 A77 V78 | G70-T74 PolarHBondContact O-N 3.46Å; G70-T74 PolarHBondContact O-OG1 2.97Å; L71-T74 WeakPolarHBondContact CA-OG1 3.48Å; L71-T74 PolarHBondContact O-N 3.15Å; L71-T74 PolarHBondContact O-OG1 3.01Å; T74-N76 VanDerWaalsContact C-N 3.33Å; T74-N76 PolarHBondContact O-N 3.43Å; T74-A77 PolarHBondContact O-N 3.5Å; T74-V78 VanDerWaalsContact O-CG2 3.25Å; T74-V78 WeakPolarHBondContact O-CG2 3.43Å; T74-V78 PolarHBondContact O-N 2.74Å |
| 75 | C | 49.5 | Very low | 48.2 | Very low | 80 Ų | 80 | 99.8 Ų | 99.8 | 54% | 0.541 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 176.3 | -156 | 0 | 0 | 0 | 0 | 111.8 | L71 V78 M79 | L71-C75 VanDerWaalsContact O-CB 3.27Å; L71-C75 WeakPolarHBondContact O-CB 3.35Å; L71-C75 PolarHBondContact O-N 2.93Å; C75-V78 PolarHBondContact O-N 2.96Å; C75-M79 PolarHBondContact O-N 3.04Å |
| 76 | N | 49.2 | Very low | 47.4 | Very low | 95 Ų | 95 | 93.2 Ų | 93.2 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.9 | -40 | 177.6 | -153.4 | -25.5 | 0 | 0 | 0 | 112 | L72 F73 T74 V78 M79 W80 | L72-N76 VanDerWaalsContact O-CB 3.24Å; L72-N76 WeakPolarHBondContact O-CB 3.3Å; L72-N76 PolarHBondContact O-N 3.49Å; F73-N76 PolarHBondContact O-N 3.01Å; T74-N76 VanDerWaalsContact C-N 3.33Å; T74-N76 PolarHBondContact O-N 3.43Å; N76-V78 PolarHBondContact O-N 2.91Å; N76-M79 PolarHBondContact O-N 3.3Å; N76-W80 PolarHBondContact O-N 3.42Å |
| 77 | A | 45.1 | Very low | 46.9 | Very low | 43 Ų | 43 | 93.3 Ų | 93.3 | 36% | 0.355 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F73 T74 W80 T81 | F73-A77 WeakPolarHBondContact O-CB 3.46Å; F73-A77 PolarHBondContact O-N 3.36Å; T74-A77 PolarHBondContact O-N 3.5Å; A77-W80 PolarHBondContact O-N 3.02Å; A77-T81 VanDerWaalsContact O-CG2 3.29Å; A77-T81 WeakPolarHBondContact O-CG2 3.39Å; A77-T81 PolarHBondContact O-N 2.65Å; A77-T81 PolarHBondContact O-OG1 2.99Å |
| 78 | V | 47.8 | Very low | 46.5 | Very low | 82 Ų | 82 | 99.4 Ų | 99.4 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.3 | -39.8 | 176 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | T74 C75 N76 W80 T81 F82 | T74-V78 VanDerWaalsContact O-CG2 3.25Å; T74-V78 WeakPolarHBondContact O-CG2 3.43Å; T74-V78 PolarHBondContact O-N 2.74Å; C75-V78 PolarHBondContact O-N 2.96Å; N76-V78 PolarHBondContact O-N 2.91Å; V78-W80 PolarHBondContact O-N 3.46Å; V78-T81 WeakPolarHBondContact CA-OG1 3.28Å; V78-T81 PolarHBondContact O-N 3.42Å; V78-T81 PolarHBondContact O-OG1 3.35Å; V78-F82 HydrophobicContact CG1-CD2 4.32Å; V78-F82 PolarHBondContact O-N 3.36Å |
| 79 | M | 49.9 | Very low | 46 | Very low | 118 Ų | 118 | 106.7 Ų | 106.7 | 58% | 0.581 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -59.1 | -47 | 173.2 | -172 | -177 | -69.1 | 0 | 0 | 111.3 | C75 N76 T81 F82 L83 | C75-M79 PolarHBondContact O-N 3.04Å; N76-M79 PolarHBondContact O-N 3.3Å; M79-T81 VanDerWaalsContact C-N 3.35Å; M79-T81 PolarHBondContact O-N 3.24Å; M79-F82 PolarHBondContact O-N 3.41Å; M79-L83 VanDerWaalsContact O-CB 3.28Å; M79-L83 WeakPolarHBondContact O-CB 3.32Å; M79-L83 PolarHBondContact O-N 3.12Å |
| 80 | W | 43.3 | Very low | 45.5 | Very low | 192 Ų | 192 | 107.7 Ų | 107.7 | 73% | 0.727 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.8 | -39.4 | 179.4 | -149 | -39.7 | 0 | 0 | 0 | 112.3 | N76 A77 V78 A84 | N76-W80 PolarHBondContact O-N 3.42Å; A77-W80 PolarHBondContact O-N 3.02Å; V78-W80 PolarHBondContact O-N 3.46Å; W80-A84 VanDerWaalsContact O-CB 3.29Å; W80-A84 WeakPolarHBondContact O-CB 3.28Å; W80-A84 PolarHBondContact O-N 3.03Å |
| 81 | T | 42.6 | Very low | 45.3 | Very low | 83 Ų | 83 | 112.4 Ų | 112.4 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -73.6 | -34.7 | -179.6 | 51.1 | 0 | 0 | 0 | 0 | 113.3 | A77 V78 M79 K85 | A77-T81 VanDerWaalsContact O-CG2 3.29Å; A77-T81 WeakPolarHBondContact O-CG2 3.39Å; A77-T81 PolarHBondContact O-N 2.65Å; A77-T81 PolarHBondContact O-OG1 2.99Å; V78-T81 WeakPolarHBondContact CA-OG1 3.28Å; V78-T81 PolarHBondContact O-N 3.42Å; V78-T81 PolarHBondContact O-OG1 3.35Å; M79-T81 VanDerWaalsContact C-N 3.35Å; M79-T81 PolarHBondContact O-N 3.24Å; T81-K85 WeakPolarHBondContact O-CB 3.32Å; T81-K85 PolarHBondContact O-N 3.46Å |
| 82 | F | 48.6 | Very low | 45.3 | Very low | 138 Ų | 138 | 113 Ų | 113 | 61% | 0.605 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -72.2 | -38.1 | 173.2 | -106.3 | -93.3 | 0 | 0 | 0 | 112.4 | V78 M79 K85 A86 | V78-F82 HydrophobicContact CG1-CD2 4.32Å; V78-F82 PolarHBondContact O-N 3.36Å; M79-F82 PolarHBondContact O-N 3.41Å; F82-K85 PolarHBondContact O-N 2.92Å; F82-A86 VanDerWaalsContact O-CB 3.31Å; F82-A86 WeakPolarHBondContact O-CB 3.25Å; F82-A86 PolarHBondContact O-N 2.86Å |
| 83 | L | 46.3 | Very low | 45.2 | Very low | 107 Ų | 107 | 111.5 Ų | 111.5 | 56% | 0.56 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.2 | -43.8 | 172.6 | -169.1 | 73.8 | 0 | 0 | 0 | 111 | M79 A86 L87 | M79-L83 VanDerWaalsContact O-CB 3.28Å; M79-L83 WeakPolarHBondContact O-CB 3.32Å; M79-L83 PolarHBondContact O-N 3.12Å; L83-A86 PolarHBondContact O-N 3.39Å; L83-L87 HydrophobicContact CG-CD1 4.45Å; L83-L87 WeakPolarHBondContact O-CG 3.47Å; L83-L87 PolarHBondContact O-N 3.46Å |
| 84 | A | 44.7 | Very low | 45.1 | Very low | 48 Ų | 48 | 107 Ų | 107 | 40% | 0.397 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.2 | -38.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | W80 R88 | W80-A84 VanDerWaalsContact O-CB 3.29Å; W80-A84 WeakPolarHBondContact O-CB 3.28Å; W80-A84 PolarHBondContact O-N 3.03Å; A84-R88 PolarHBondContact O-N 3.11Å |
| 85 | K | 41.5 | Very low | 44.9 | Very low | 158 Ų | 158 | 113.3 Ų | 113.3 | 69% | 0.687 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69.4 | -37.5 | 174.2 | -101.1 | 176.5 | 175.8 | 168.2 | 0 | 112.7 | T81 F82 R88 | T81-K85 WeakPolarHBondContact O-CB 3.32Å; T81-K85 PolarHBondContact O-N 3.46Å; F82-K85 PolarHBondContact O-N 2.92Å; K85-R88 PolarHBondContact O-N 3.32Å |
| 86 | A | 38.2 | Very low | 44.7 | Very low | 38 Ų | 38 | 112 Ų | 112 | 31% | 0.314 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.4 | -40.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F82 L83 R88 Y89 T96 | F82-A86 VanDerWaalsContact O-CB 3.31Å; F82-A86 WeakPolarHBondContact O-CB 3.25Å; F82-A86 PolarHBondContact O-N 2.86Å; L83-A86 PolarHBondContact O-N 3.39Å; A86-R88 VanDerWaalsContact C-N 3.3Å; A86-R88 PolarHBondContact O-N 2.95Å; A86-Y89 PolarHBondContact O-N 3.25Å; A86-T96 HydrophobicContact CB-CG2 4.07Å |
| 87 | L | 42.2 | Very low | 44.8 | Very low | 141 Ų | 141 | 111.3 Ų | 111.3 | 74% | 0.738 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65 | -30 | 175.5 | -75.5 | 167 | 0 | 0 | 0 | 113 | L83 | L83-L87 HydrophobicContact CG-CD1 4.45Å; L83-L87 WeakPolarHBondContact O-CG 3.47Å; L83-L87 PolarHBondContact O-N 3.46Å |
| 88 | R | 43.4 | Very low | 44.9 | Very low | 227 Ų | 227 | 111.7 Ų | 111.7 | 86% | 0.857 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -11.6 | 177 | -73.7 | -155 | 89.2 | 152.1 | 7.1 | 115 | A84 K85 A86 | A84-R88 PolarHBondContact O-N 3.11Å; K85-R88 PolarHBondContact O-N 3.32Å; A86-R88 VanDerWaalsContact C-N 3.3Å; A86-R88 PolarHBondContact O-N 2.95Å |
| 89 | Y | 39.9 | Very low | 44.9 | Very low | 211 Ų | 211 | 111.8 Ų | 111.8 | 83% | 0.827 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.8 | -6.1 | -166.1 | -121.4 | -85.9 | 0 | 0 | 0 | 117.3 | A86 | A86-Y89 PolarHBondContact O-N 3.25Š|
| 90 | S | 38.4 | Very low | 44.9 | Very low | 61 Ų | 61 | 109.3 Ų | 109.3 | 43% | 0.427 | 57% | 0.565 | S | S | . | * | trans | -144.5 | 122.7 | -174.7 | -163.1 | 0 | 0 | 0 | 0 | 116.5 | S92 | S90-S92 WeakPolarHBondContact OG-CA 3.29Å; S90-S92 PolarHBondContact OG-N 3.42Å; S90-S92 PolarHBondContact OG-O 2.91Å | ||
| 91 | S | 41 | Very low | 45.2 | Very low | 138 Ų | 138 | 102.4 Ų | 102.4 | 97% | 0.965 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -78.9 | 4.1 | 159.9 | -167.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 92 | S | 50.3 | Low | 45.4 | Very low | 57 Ų | 57 | 100.4 Ų | 100.4 | 40% | 0.399 | 54% | 0.536 | S | S | . | . | trans | -125.3 | 96.4 | 172.7 | -151.4 | 0 | 0 | 0 | 0 | 111 | S90 | S90-S92 WeakPolarHBondContact OG-CA 3.29Å; S90-S92 PolarHBondContact OG-N 3.42Å; S90-S92 PolarHBondContact OG-O 2.91Å | ||
| 93 | S | 49.8 | Very low | 45.2 | Very low | 88 Ų | 88 | 97 Ų | 97 | 62% | 0.615 | 53% | 0.529 | S | S | * | . | trans | -81.8 | -14.8 | -161.3 | -156.3 | 0 | 0 | 0 | 0 | 115.4 | T97 | S93-T97 PolarHBondContact O-OG1 3.37Š| ||
| 94 | T | 48.6 | Very low | 45.3 | Very low | 64 Ų | 64 | 96.3 Ų | 96.3 | 39% | 0.393 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -90.5 | -29.3 | -165 | -39.2 | 0 | 0 | 0 | 0 | 114.2 | V98 R146 | T94-V98 WeakPolarHBondContact O-CG2 3.45Å; T94-V98 PolarHBondContact O-N 3.11Å; T94-R146 PolarHBondContact OG1-NH2 3.45Å |
| 95 | R | 42.9 | Very low | 45.5 | Very low | 210 Ų | 210 | 97 Ų | 97 | 79% | 0.792 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -76.7 | -38.3 | -176.5 | -170.5 | 174.8 | -70.4 | 166 | -1.3 | 112.2 | V98 T99 | R95-V98 PolarHBondContact O-N 2.96Å; R95-T99 PolarHBondContact O-N 2.95Å; R95-T99 PolarHBondContact O-OG1 3.47Å; R95-T99 VanDerWaalsContact O-OG1 3.07Å |
| 96 | T | 45.3 | Very low | 45.7 | Very low | 54 Ų | 54 | 95 Ų | 95 | 33% | 0.331 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68 | -40.6 | -179 | -45.1 | 0 | 0 | 0 | 0 | 111.8 | A86 T99 T100 | A86-T96 HydrophobicContact CB-CG2 4.07Å; T96-T99 PolarHBondContact O-N 3.49Å; T96-T99 PolarHBondContact O-OG1 3.03Å; T96-T100 PolarHBondContact O-N 3.46Å; T96-T100 VanDerWaalsContact O-N 3.09Å; T96-T100 PolarHBondContact O-OG1 3.41Å |
| 97 | T | 50.2 | Low | 46 | Very low | 80 Ų | 80 | 95.5 Ų | 95.5 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.6 | -41.4 | 177.6 | -48.2 | 0 | 0 | 0 | 0 | 111.3 | S93 T99 T100 T101 | S93-T97 PolarHBondContact O-OG1 3.37Å; T97-T99 PolarHBondContact O-N 3.23Å; T97-T100 PolarHBondContact O-N 3.49Å; T97-T101 WeakPolarHBondContact O-CB 3.35Å; T97-T101 PolarHBondContact O-N 3.44Å; T97-T101 PolarHBondContact O-OG1 3.13Å |
| 98 | V | 47.3 | Very low | 46.1 | Very low | 50 Ų | 50 | 92.7 Ų | 92.7 | 30% | 0.303 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 178.6 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | T94 R95 A102 | T94-V98 WeakPolarHBondContact O-CG2 3.45Å; T94-V98 PolarHBondContact O-N 3.11Å; R95-V98 PolarHBondContact O-N 2.96Å; V98-A102 WeakPolarHBondContact O-CB 3.44Å; V98-A102 PolarHBondContact O-N 2.69Å |
| 99 | T | 48.1 | Very low | 46.1 | Very low | 84 Ų | 84 | 82.5 Ų | 82.5 | 52% | 0.515 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.3 | -39.3 | 176.6 | 42 | 0 | 0 | 0 | 0 | 112.8 | R95 T96 T97 S103 | R95-T99 PolarHBondContact O-N 2.95Å; R95-T99 PolarHBondContact O-OG1 3.47Å; R95-T99 VanDerWaalsContact O-OG1 3.07Å; T96-T99 PolarHBondContact O-N 3.49Å; T96-T99 PolarHBondContact O-OG1 3.03Å; T97-T99 PolarHBondContact O-N 3.23Å; T99-S103 VanDerWaalsContact O-CB 3.26Å; T99-S103 WeakPolarHBondContact O-CB 3.09Å; T99-S103 PolarHBondContact O-N 3.45Å |
| 100 | T | 49.9 | Very low | 46.2 | Very low | 67 Ų | 67 | 78.9 Ų | 78.9 | 41% | 0.411 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 177.5 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | T96 T97 N104 | T96-T100 PolarHBondContact O-N 3.46Å; T96-T100 VanDerWaalsContact O-N 3.09Å; T96-T100 PolarHBondContact O-OG1 3.41Å; T97-T100 PolarHBondContact O-N 3.49Å; T100-N104 WeakPolarHBondContact O-CB 3.34Å; T100-N104 PolarHBondContact O-N 3.19Å |
| 101 | T | 50.4 | Low | 46.4 | Very low | 47 Ų | 47 | 77.5 Ų | 77.5 | 29% | 0.288 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.4 | -43.5 | 176.8 | -51.9 | 0 | 0 | 0 | 0 | 111.6 | T97 S103 N104 F105 T131 L135 | T97-T101 WeakPolarHBondContact O-CB 3.35Å; T97-T101 PolarHBondContact O-N 3.44Å; T97-T101 PolarHBondContact O-OG1 3.13Å; T101-S103 PolarHBondContact O-N 3.39Å; T101-N104 PolarHBondContact O-N 3.28Å; T101-F105 WeakPolarHBondContact O-CB 3.39Å; T101-F105 PolarHBondContact O-N 3.15Å; T101-T131 HydrophobicContact CG2-CG2 4.26Å; T101-L135 HydrophobicContact CG2-CD1 4.11Å; T101-L135 HydrophobicContact CG2-CD2 4.27Å; T101-L135 HydrophobicContact CG2-CG 4.45Å |
| 102 | A | 46 | Very low | 46.5 | Very low | 40 Ų | 40 | 72.3 Ų | 72.3 | 33% | 0.331 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V98 F105 I106 | V98-A102 WeakPolarHBondContact O-CB 3.44Å; V98-A102 PolarHBondContact O-N 2.69Å; A102-F105 PolarHBondContact O-N 3.01Å; A102-I106 WeakPolarHBondContact O-CB 3.29Å; A102-I106 WeakPolarHBondContact O-CD1 2.69Å; A102-I106 VanDerWaalsContact O-CG1 3.26Å; A102-I106 WeakPolarHBondContact O-CG1 2.86Å; A102-I106 PolarHBondContact O-N 2.64Å |
| 103 | S | 44.1 | Very low | 45.9 | Very low | 68 Ų | 68 | 73.8 Ų | 73.8 | 48% | 0.476 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -69.3 | -37.8 | 178.8 | -147.9 | 0 | 0 | 0 | 0 | 112.1 | T99 T101 F105 S107 | T99-S103 VanDerWaalsContact O-CB 3.26Å; T99-S103 WeakPolarHBondContact O-CB 3.09Å; T99-S103 PolarHBondContact O-N 3.45Å; T101-S103 PolarHBondContact O-N 3.39Å; S103-F105 VanDerWaalsContact C-N 3.28Å; S103-F105 PolarHBondContact O-N 2.92Å; S103-S107 WeakPolarHBondContact O-CB 3.05Å; S103-S107 PolarHBondContact O-N 3.21Å |
| 104 | N | 48 | Very low | 45.4 | Very low | 91 Ų | 91 | 75.5 Ų | 75.5 | 49% | 0.487 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.1 | -32.9 | 172.9 | -79.4 | -10.8 | 0 | 0 | 0 | 112.4 | T100 T101 S108 | T100-N104 WeakPolarHBondContact O-CB 3.34Å; T100-N104 PolarHBondContact O-N 3.19Å; T101-N104 PolarHBondContact O-N 3.28Å; N104-S108 PolarHBondContact O-N 3.4Å; N104-S108 VanDerWaalsContact O-N 3.08Å; N104-S108 PolarHBondContact O-OG 2.94Å; N104-S108 VanDerWaalsContact O-OG 3.09Å |
| 105 | F | 49 | Very low | 45 | Very low | 62 Ų | 62 | 74.2 Ų | 74.2 | 27% | 0.272 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -76.5 | -44.1 | -179.7 | -136.5 | -94.6 | 0 | 0 | 0 | 113.1 | T101 A102 S103 S107 S108 A109 G127 I128 T131 | T101-F105 WeakPolarHBondContact O-CB 3.39Å; T101-F105 PolarHBondContact O-N 3.15Å; A102-F105 PolarHBondContact O-N 3.01Å; S103-F105 VanDerWaalsContact C-N 3.28Å; S103-F105 PolarHBondContact O-N 2.92Å; F105-S107 VanDerWaalsContact C-N 3.29Å; F105-S107 PolarHBondContact O-N 3.14Å; F105-S108 PolarHBondContact O-N 3.43Å; F105-A109 WeakPolarHBondContact O-CB 3.42Å; F105-A109 PolarHBondContact O-N 2.99Å; F105-G127 WeakPolarHBondContact CE1-O 3.24Å; F105-G127 VanDerWaalsContact CZ-C 3.5Å; F105-G127 WeakPolarHBondContact CZ-O 3.49Å; F105-I128 HydrophobicContact CD1-CG1 4.13Å; F105-I128 HydrophobicContact CE1-CG1 4.21Å; F105-T131 HydrophobicContact CB-CG2 4.43Å; F105-T131 HydrophobicContact CD1-CG2 4.3Å; F105-T131 HydrophobicContact CD2-CG2 3.52Å; F105-T131 VanDerWaalsContact CD2-OG1 3.26Å; F105-T131 WeakPolarHBondContact CD2-OG1 3.15Å; F105-T131 HydrophobicContact CE2-CG2 3.9Å; F105-T131 WeakPolarHBondContact CE2-OG1 3.35Å; F105-T131 HydrophobicContact CG-CG2 3.77Å; F105-T131 HydrophobicContact CZ-CG2 4.4Å; F105-T131 WeakPolarHBondContact CZ-OG1 3.32Å |
| 106 | I | 46.2 | Very low | 44.9 | Very low | 117 Ų | 117 | 69.7 Ų | 69.7 | 60% | 0.6 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65.1 | -36.4 | 174.8 | -66.9 | 164.5 | 0 | 0 | 0 | 110.6 | A102 A109 F110 | A102-I106 WeakPolarHBondContact O-CB 3.29Å; A102-I106 WeakPolarHBondContact O-CD1 2.69Å; A102-I106 VanDerWaalsContact O-CG1 3.26Å; A102-I106 WeakPolarHBondContact O-CG1 2.86Å; A102-I106 PolarHBondContact O-N 2.64Å; I106-A109 WeakPolarHBondContact O-CB 3.23Å; I106-F110 WeakPolarHBondContact O-CB 3.39Å; I106-F110 PolarHBondContact O-N 2.92Å; I106-F110 VanDerWaalsContact O-N 3.11Å |
| 107 | S | 44.8 | Very low | 44.6 | Very low | 49 Ų | 49 | 70.9 Ų | 70.9 | 34% | 0.343 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.4 | -46.9 | 174 | 174.8 | 0 | 0 | 0 | 0 | 112.5 | S103 F105 A109 L111 | S103-S107 WeakPolarHBondContact O-CB 3.05Å; S103-S107 PolarHBondContact O-N 3.21Å; F105-S107 VanDerWaalsContact C-N 3.29Å; F105-S107 PolarHBondContact O-N 3.14Å; S107-A109 VanDerWaalsContact C-N 3.32Å; S107-A109 PolarHBondContact O-N 3.45Å; S107-L111 WeakPolarHBondContact O-CD1 3.4Å; S107-L111 PolarHBondContact O-N 3.39Å |
| 108 | S | 44.1 | Very low | 44.1 | Very low | 81 Ų | 81 | 74 Ų | 74 | 57% | 0.566 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -66.2 | -36.6 | 178.9 | -68.4 | 0 | 0 | 0 | 0 | 112.4 | N104 F105 G112 | N104-S108 PolarHBondContact O-N 3.4Å; N104-S108 VanDerWaalsContact O-N 3.08Å; N104-S108 PolarHBondContact O-OG 2.94Å; N104-S108 VanDerWaalsContact O-OG 3.09Å; F105-S108 PolarHBondContact O-N 3.43Å; S108-G112 PolarHBondContact O-N 2.93Å |
| 109 | A | 43 | Very low | 43.9 | Very low | 14 Ų | 14 | 75.8 Ų | 75.8 | 12% | 0.116 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.4 | -51.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | F105 I106 S107 L111 G112 Q113 | F105-A109 WeakPolarHBondContact O-CB 3.42Å; F105-A109 PolarHBondContact O-N 2.99Å; I106-A109 WeakPolarHBondContact O-CB 3.23Å; S107-A109 VanDerWaalsContact C-N 3.32Å; S107-A109 PolarHBondContact O-N 3.45Å; A109-L111 VanDerWaalsContact C-N 3.28Å; A109-L111 PolarHBondContact O-N 3.41Å; A109-G112 PolarHBondContact O-N 2.98Å; A109-Q113 PolarHBondContact O-N 3.37Å; A109-Q113 VanDerWaalsContact O-N 3.08Å |
| 110 | F | 43.7 | Very low | 43.7 | Very low | 134 Ų | 134 | 75.3 Ų | 75.3 | 59% | 0.588 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66.7 | -35.4 | -178.5 | -150.8 | -98.3 | 0 | 0 | 0 | 110.9 | I106 L114 | I106-F110 WeakPolarHBondContact O-CB 3.39Å; I106-F110 PolarHBondContact O-N 2.92Å; I106-F110 VanDerWaalsContact O-N 3.11Å; F110-L114 WeakPolarHBondContact O-CB 3.46Å; F110-L114 PolarHBondContact O-N 3.06Å; F110-L114 VanDerWaalsContact O-N 3.15Å |
| 111 | L | 42.2 | Very low | 43.4 | Very low | 32 Ų | 32 | 75.8 Ų | 75.8 | 17% | 0.168 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -67.5 | -43.5 | 173.4 | -98.5 | 62.9 | 0 | 0 | 0 | 112 | G12 S107 A109 Q113 L114 I115 | G12-L111 VanDerWaalsContact CA-CD1 3.45Å; G12-L111 WeakPolarHBondContact O-CD1 3.27Å; S107-L111 WeakPolarHBondContact O-CD1 3.4Å; S107-L111 PolarHBondContact O-N 3.39Å; A109-L111 VanDerWaalsContact C-N 3.28Å; A109-L111 PolarHBondContact O-N 3.41Å; L111-Q113 VanDerWaalsContact C-N 3.31Å; L111-Q113 PolarHBondContact O-N 3.44Å; L111-L114 PolarHBondContact O-N 3.47Å; L111-I115 HydrophobicContact CB-CD1 4.26Å; L111-I115 VanDerWaalsContact O-CB 3.29Å; L111-I115 WeakPolarHBondContact O-CB 3.44Å; L111-I115 VanDerWaalsContact O-CD1 3.23Å; L111-I115 WeakPolarHBondContact O-CD1 3.27Å; L111-I115 WeakPolarHBondContact O-CG1 3.39Å; L111-I115 PolarHBondContact O-N 3.16Å |
| 112 | G | 42.1 | Very low | 43 | Very low | 29 Ų | 29 | 76.6 Ų | 76.6 | 30% | 0.299 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.2 | -39 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S108 A109 F116 | S108-G112 PolarHBondContact O-N 2.93Å; A109-G112 PolarHBondContact O-N 2.98Å; G112-F116 PolarHBondContact O-N 3.02Å |
| 113 | Q | 37.9 | Very low | 42.9 | Very low | 89 Ų | 89 | 80.3 Ų | 80.3 | 42% | 0.416 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -72.2 | -36.3 | 179 | -158.4 | 175.4 | 1.6 | 0 | 0 | 112.5 | A109 L111 | A109-Q113 PolarHBondContact O-N 3.37Å; A109-Q113 VanDerWaalsContact O-N 3.08Å; L111-Q113 VanDerWaalsContact C-N 3.31Å; L111-Q113 PolarHBondContact O-N 3.44Å |
| 114 | L | 39.1 | Very low | 43.2 | Very low | 123 Ų | 123 | 81.2 Ų | 81.2 | 64% | 0.644 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -74.5 | -27.5 | 178 | -142.5 | 89.7 | 0 | 0 | 0 | 113.1 | A16 F110 L111 | A16-L114 HydrophobicContact CB-CD2 4.23Å; F110-L114 WeakPolarHBondContact O-CB 3.46Å; F110-L114 PolarHBondContact O-N 3.06Å; F110-L114 VanDerWaalsContact O-N 3.15Å; L111-L114 PolarHBondContact O-N 3.47Å |
| 115 | I | 41.4 | Very low | 43.1 | Very low | 38 Ų | 38 | 84.7 Ų | 84.7 | 20% | 0.195 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -83.6 | -27.2 | -175.4 | -76.6 | 163.8 | 0 | 0 | 0 | 113.6 | S19 K23 L111 | S19-I115 WeakPolarHBondContact OG-CD1 3.36Å; S19-I115 WeakPolarHBondContact OG-CG2 3.15Å; K23-I115 PolarHBondContact NZ-O 3.01Å; L111-I115 HydrophobicContact CB-CD1 4.26Å; L111-I115 VanDerWaalsContact O-CB 3.29Å; L111-I115 WeakPolarHBondContact O-CB 3.44Å; L111-I115 VanDerWaalsContact O-CD1 3.23Å; L111-I115 WeakPolarHBondContact O-CD1 3.27Å; L111-I115 WeakPolarHBondContact O-CG1 3.39Å; L111-I115 PolarHBondContact O-N 3.16Å |
| 116 | F | 39.3 | Very low | 43 | Very low | 115 Ų | 115 | 86.4 Ų | 86.4 | 50% | 0.504 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -106 | -21.9 | -171.2 | -83.6 | -85.7 | 0 | 0 | 0 | 115.5 | G112 E118 Q120 | G112-F116 PolarHBondContact O-N 3.02Å; F116-E118 PolarHBondContact O-N 2.93Å; F116-Q120 HydrophobicContact CB-CG 4.14Å |
| 117 | G | 41 | Very low | 43.1 | Very low | 78 Ų | 78 | 81.9 Ų | 81.9 | 80% | 0.804 | 46% | 0.462 | S | S | * | . | trans | 63.7 | -18.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 118 | E | 38.2 | Very low | 43.3 | Very low | 147 Ų | 147 | 82.1 Ų | 82.1 | 69% | 0.687 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -88.7 | 147.1 | 168.7 | -86.6 | -69.7 | 158.1 | 0 | 0 | 109.7 | F116 Q120 | F116-E118 PolarHBondContact O-N 2.93Å; E118-Q120 PolarHBondContact O-N 3.05Å |
| 119 | A | 43.6 | Very low | 43.5 | Very low | 87 Ų | 87 | 81.9 Ų | 81.9 | 72% | 0.719 | 46% | 0.457 | S | S | * | . | trans | -64.6 | 70.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I121 | A119-I121 PolarHBondContact O-N 3.29Š| ||
| 120 | Q | 44.5 | Very low | 43.9 | Very low | 74 Ų | 74 | 87.1 Ų | 87.1 | 35% | 0.346 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 24.7 | 171.1 | -69.1 | -78.4 | -55.8 | 0 | 0 | 111.3 | F116 E118 A122 L123 W124 | F116-Q120 HydrophobicContact CB-CG 4.14Å; E118-Q120 PolarHBondContact O-N 3.05Å; Q120-A122 PolarHBondContact O-N 3.26Å; Q120-L123 PolarHBondContact O-N 3.19Å; Q120-W124 WeakPolarHBondContact O-CB 3.49Å; Q120-W124 PolarHBondContact O-N 3.47Å |
| 121 | I | 43.6 | Very low | 44.4 | Very low | 77 Ų | 77 | 82.3 Ų | 82.3 | 40% | 0.395 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -57.2 | -36.4 | 178.5 | -138.7 | 79.6 | 0 | 0 | 0 | 109.8 | A119 W124 W125 | A119-I121 PolarHBondContact O-N 3.29Å; I121-W124 HydrophobicContact CD1-CE3 4.45Å; I121-W124 HydrophobicContact CG1-CE3 4.4Å; I121-W124 WeakPolarHBondContact O-CB 3.25Å; I121-W124 PolarHBondContact O-N 3.47Å; I121-W125 PolarHBondContact O-N 3.03Å |
| 122 | A | 40.6 | Very low | 44.9 | Very low | 63 Ų | 63 | 87 Ų | 87 | 52% | 0.521 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.7 | -45.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q120 W124 W125 V126 | Q120-A122 PolarHBondContact O-N 3.26Å; A122-W124 VanDerWaalsContact C-N 3.25Å; A122-W124 PolarHBondContact O-N 2.96Å; A122-W125 PolarHBondContact O-N 2.89Å; A122-V126 WeakPolarHBondContact O-CG2 3.36Å; A122-V126 PolarHBondContact O-N 3.13Å; A122-V126 VanDerWaalsContact O-N 3.12Å |
| 123 | L | 45.2 | Very low | 45.1 | Very low | 118 Ų | 118 | 88 Ų | 88 | 62% | 0.618 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.3 | -30.8 | 175.3 | -98.8 | 87 | 0 | 0 | 0 | 111.9 | Q120 V126 G127 | Q120-L123 PolarHBondContact O-N 3.19Å; L123-V126 PolarHBondContact O-N 2.88Å; L123-G127 PolarHBondContact O-N 3.33Å |
| 124 | W | 50.3 | Low | 45.6 | Very low | 88 Ų | 88 | 85.2 Ų | 85.2 | 33% | 0.333 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.9 | -46.3 | 174.5 | 177.2 | 59.5 | 0 | 0 | 0 | 112.8 | Q120 I121 A122 V126 G127 I128 | Q120-W124 WeakPolarHBondContact O-CB 3.49Å; Q120-W124 PolarHBondContact O-N 3.47Å; I121-W124 HydrophobicContact CD1-CE3 4.45Å; I121-W124 HydrophobicContact CG1-CE3 4.4Å; I121-W124 WeakPolarHBondContact O-CB 3.25Å; I121-W124 PolarHBondContact O-N 3.47Å; A122-W124 VanDerWaalsContact C-N 3.25Å; A122-W124 PolarHBondContact O-N 2.96Å; W124-V126 VanDerWaalsContact C-N 3.3Å; W124-V126 PolarHBondContact O-N 3.29Å; W124-G127 PolarHBondContact O-N 3.48Å; W124-I128 HydrophobicContact CD2-CD1 3.82Å; W124-I128 HydrophobicContact CE3-CD1 4.41Å; W124-I128 HydrophobicContact CG-CD1 4.32Å; W124-I128 HydrophobicContact CH2-CD1 4.02Å; W124-I128 HydrophobicContact CZ2-CD1 3.33Å; W124-I128 HydrophobicContact CZ3-CD1 4.49Å; W124-I128 WeakPolarHBondContact O-CG1 3.43Å; W124-I128 PolarHBondContact O-N 3.13Å |
| 125 | W | 45.3 | Very low | 46.1 | Very low | 164 Ų | 164 | 81.2 Ų | 81.2 | 62% | 0.621 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.5 | -38.9 | 174 | -85.4 | 105.6 | 0 | 0 | 0 | 112.4 | I121 A122 I128 S129 | I121-W125 PolarHBondContact O-N 3.03Å; A122-W125 PolarHBondContact O-N 2.89Å; W125-I128 PolarHBondContact O-N 3.34Å; W125-S129 VanDerWaalsContact O-CB 3.26Å; W125-S129 WeakPolarHBondContact O-CB 3.39Å; W125-S129 PolarHBondContact O-N 2.76Å |
| 126 | V | 46.8 | Very low | 46.6 | Very low | 97 Ų | 97 | 83 Ų | 83 | 59% | 0.588 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.9 | -45.5 | 175.7 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | A122 L123 W124 I128 S129 L130 | A122-V126 WeakPolarHBondContact O-CG2 3.36Å; A122-V126 PolarHBondContact O-N 3.13Å; A122-V126 VanDerWaalsContact O-N 3.12Å; L123-V126 PolarHBondContact O-N 2.88Å; W124-V126 VanDerWaalsContact C-N 3.3Å; W124-V126 PolarHBondContact O-N 3.29Å; V126-I128 PolarHBondContact O-N 3.37Å; V126-S129 PolarHBondContact O-N 3.46Å; V126-L130 WeakPolarHBondContact O-CB 3.4Å; V126-L130 PolarHBondContact O-N 3.14Å |
| 127 | G | 48.2 | Very low | 47.4 | Very low | 22 Ų | 22 | 82 Ų | 82 | 23% | 0.227 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -59.4 | -47.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | F105 L123 W124 S129 L130 T131 | F105-G127 WeakPolarHBondContact CE1-O 3.24Å; F105-G127 VanDerWaalsContact CZ-C 3.5Å; F105-G127 WeakPolarHBondContact CZ-O 3.49Å; L123-G127 PolarHBondContact O-N 3.33Å; W124-G127 PolarHBondContact O-N 3.48Å; G127-S129 PolarHBondContact O-N 2.76Å; G127-L130 PolarHBondContact O-N 3.49Å; G127-T131 PolarHBondContact O-N 3.19Å; G127-T131 PolarHBondContact O-OG1 2.81Å |
| 128 | I | 50.4 | Low | 48.1 | Very low | 54 Ų | 54 | 84.5 Ų | 84.5 | 28% | 0.277 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 178.9 | -72.4 | 174.2 | 0 | 0 | 0 | 110.1 | F105 W124 W125 V126 L130 T131 F132 | F105-I128 HydrophobicContact CD1-CG1 4.13Å; F105-I128 HydrophobicContact CE1-CG1 4.21Å; W124-I128 HydrophobicContact CD2-CD1 3.82Å; W124-I128 HydrophobicContact CE3-CD1 4.41Å; W124-I128 HydrophobicContact CG-CD1 4.32Å; W124-I128 HydrophobicContact CH2-CD1 4.02Å; W124-I128 HydrophobicContact CZ2-CD1 3.33Å; W124-I128 HydrophobicContact CZ3-CD1 4.49Å; W124-I128 WeakPolarHBondContact O-CG1 3.43Å; W124-I128 PolarHBondContact O-N 3.13Å; W125-I128 PolarHBondContact O-N 3.34Å; V126-I128 PolarHBondContact O-N 3.37Å; I128-L130 VanDerWaalsContact C-N 3.32Å; I128-L130 PolarHBondContact O-N 2.88Å; I128-T131 PolarHBondContact O-N 3.45Å; I128-F132 VanDerWaalsContact O-CB 3.25Å; I128-F132 WeakPolarHBondContact O-CB 3.42Å; I128-F132 PolarHBondContact O-N 2.75Å |
| 129 | S | 47 | Very low | 48.8 | Very low | 77 Ų | 77 | 82.2 Ų | 82.2 | 54% | 0.538 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61 | -41.7 | 179.8 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | W125 V126 G127 S133 | W125-S129 VanDerWaalsContact O-CB 3.26Å; W125-S129 WeakPolarHBondContact O-CB 3.39Å; W125-S129 PolarHBondContact O-N 2.76Å; V126-S129 PolarHBondContact O-N 3.46Å; G127-S129 PolarHBondContact O-N 2.76Å; S129-S133 VanDerWaalsContact O-CB 3.28Å; S129-S133 WeakPolarHBondContact O-CB 3.47Å; S129-S133 PolarHBondContact O-N 3.36Å; S129-S133 PolarHBondContact O-OG 2.75Å |
| 130 | L | 51.7 | Low | 49.2 | Very low | 124 Ų | 124 | 88.4 Ų | 88.4 | 65% | 0.649 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -68.3 | -39.6 | -179.5 | -171.5 | 67.9 | 0 | 0 | 0 | 112 | V126 G127 I128 S133 G134 | V126-L130 WeakPolarHBondContact O-CB 3.4Å; V126-L130 PolarHBondContact O-N 3.14Å; G127-L130 PolarHBondContact O-N 3.49Å; I128-L130 VanDerWaalsContact C-N 3.32Å; I128-L130 PolarHBondContact O-N 2.88Å; L130-S133 WeakPolarHBondContact CA-OG 3.31Å; L130-S133 PolarHBondContact O-OG 3.24Å; L130-G134 PolarHBondContact O-N 3.3Å |
| 131 | T | 54.1 | Low | 49.5 | Very low | 33 Ų | 33 | 88.5 Ų | 88.5 | 20% | 0.202 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -73.1 | -38.9 | 177.2 | -67.4 | 0 | 0 | 0 | 0 | 112.1 | T101 F105 G127 I128 G134 L135 | T101-T131 HydrophobicContact CG2-CG2 4.26Å; F105-T131 HydrophobicContact CB-CG2 4.43Å; F105-T131 HydrophobicContact CD1-CG2 4.3Å; F105-T131 HydrophobicContact CD2-CG2 3.52Å; F105-T131 VanDerWaalsContact CD2-OG1 3.26Å; F105-T131 WeakPolarHBondContact CD2-OG1 3.15Å; F105-T131 HydrophobicContact CE2-CG2 3.9Å; F105-T131 WeakPolarHBondContact CE2-OG1 3.35Å; F105-T131 HydrophobicContact CG-CG2 3.77Å; F105-T131 HydrophobicContact CZ-CG2 4.4Å; F105-T131 WeakPolarHBondContact CZ-OG1 3.32Å; G127-T131 PolarHBondContact O-N 3.19Å; G127-T131 PolarHBondContact O-OG1 2.81Å; I128-T131 PolarHBondContact O-N 3.45Å; T131-G134 PolarHBondContact O-N 3.08Å; T131-L135 HydrophobicContact CG2-CD1 3.94Å; T131-L135 WeakPolarHBondContact O-CB 3.33Å; T131-L135 WeakPolarHBondContact O-CD1 3.46Å; T131-L135 WeakPolarHBondContact O-CG 3.37Å; T131-L135 PolarHBondContact O-N 3.16Å |
| 132 | F | 52.4 | Low | 49.6 | Very low | 131 Ų | 131 | 88.3 Ų | 88.3 | 58% | 0.575 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.6 | -41.3 | 173.8 | -155.2 | -100.2 | 0 | 0 | 0 | 110.8 | I128 L135 L136 | I128-F132 VanDerWaalsContact O-CB 3.25Å; I128-F132 WeakPolarHBondContact O-CB 3.42Å; I128-F132 PolarHBondContact O-N 2.75Å; F132-L135 PolarHBondContact O-N 3.36Å; F132-L136 HydrophobicContact CD1-CD1 3.58Å; F132-L136 HydrophobicContact CD1-CG 4.13Å; F132-L136 HydrophobicContact CE1-CD1 3.69Å; F132-L136 HydrophobicContact CE1-CG 4.15Å; F132-L136 WeakPolarHBondContact O-CB 3.17Å; F132-L136 VanDerWaalsContact O-CG 3.27Å; F132-L136 WeakPolarHBondContact O-CG 3.49Å; F132-L136 PolarHBondContact O-N 3.44Å |
| 133 | S | 47.6 | Very low | 49.7 | Very low | 50 Ų | 50 | 90.3 Ų | 90.3 | 35% | 0.35 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 173.7 | 69.1 | 0 | 0 | 0 | 0 | 112.1 | S129 L130 L136 V137 | S129-S133 VanDerWaalsContact O-CB 3.28Å; S129-S133 WeakPolarHBondContact O-CB 3.47Å; S129-S133 PolarHBondContact O-N 3.36Å; S129-S133 PolarHBondContact O-OG 2.75Å; L130-S133 WeakPolarHBondContact CA-OG 3.31Å; L130-S133 PolarHBondContact O-OG 3.24Å; S133-L136 PolarHBondContact O-N 3.21Å; S133-V137 WeakPolarHBondContact O-CB 2.98Å; S133-V137 VanDerWaalsContact O-CG2 3.24Å; S133-V137 WeakPolarHBondContact O-CG2 3.43Å; S133-V137 PolarHBondContact O-N 3.32Å |
| 134 | G | 46.8 | Very low | 49.7 | Very low | 30 Ų | 30 | 91 Ų | 91 | 31% | 0.309 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L130 T131 V137 L138 | L130-G134 PolarHBondContact O-N 3.3Å; T131-G134 PolarHBondContact O-N 3.08Å; G134-V137 PolarHBondContact O-N 3.43Å; G134-L138 VanDerWaalsContact O-CD1 3.3Å; G134-L138 WeakPolarHBondContact O-CD1 3.49Å; G134-L138 PolarHBondContact O-N 3.33Å |
| 135 | L | 50.7 | Low | 49.4 | Very low | 39 Ų | 39 | 94.3 Ų | 94.3 | 20% | 0.204 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 173.5 | -78.3 | 161.7 | 0 | 0 | 0 | 111.9 | T101 T131 F132 L138 Q139 | T101-L135 HydrophobicContact CG2-CD1 4.11Å; T101-L135 HydrophobicContact CG2-CD2 4.27Å; T101-L135 HydrophobicContact CG2-CG 4.45Å; T131-L135 HydrophobicContact CG2-CD1 3.94Å; T131-L135 WeakPolarHBondContact O-CB 3.33Å; T131-L135 WeakPolarHBondContact O-CD1 3.46Å; T131-L135 WeakPolarHBondContact O-CG 3.37Å; T131-L135 PolarHBondContact O-N 3.16Å; F132-L135 PolarHBondContact O-N 3.36Å; L135-L138 PolarHBondContact O-N 3.39Å; L135-Q139 WeakPolarHBondContact O-CB 3.46Å; L135-Q139 WeakPolarHBondContact O-CG 3.29Å; L135-Q139 PolarHBondContact O-N 2.62Å |
| 136 | L | 51.5 | Low | 49.1 | Very low | 76 Ų | 76 | 94.4 Ų | 94.4 | 40% | 0.398 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65 | -39 | 176.2 | -77.8 | 172.5 | 0 | 0 | 0 | 112.1 | F132 S133 Q139 R140 | F132-L136 HydrophobicContact CD1-CD1 3.58Å; F132-L136 HydrophobicContact CD1-CG 4.13Å; F132-L136 HydrophobicContact CE1-CD1 3.69Å; F132-L136 HydrophobicContact CE1-CG 4.15Å; F132-L136 WeakPolarHBondContact O-CB 3.17Å; F132-L136 VanDerWaalsContact O-CG 3.27Å; F132-L136 WeakPolarHBondContact O-CG 3.49Å; F132-L136 PolarHBondContact O-N 3.44Å; S133-L136 PolarHBondContact O-N 3.21Å; L136-Q139 PolarHBondContact O-N 2.93Å; L136-R140 VanDerWaalsContact O-CB 3.29Å; L136-R140 WeakPolarHBondContact O-CB 3.44Å; L136-R140 WeakPolarHBondContact O-CG 3.35Å; L136-R140 PolarHBondContact O-N 3.01Å |
| 137 | V | 55.7 | Low | 48.7 | Very low | 93 Ų | 93 | 93.6 Ų | 93.6 | 56% | 0.564 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.8 | -44.6 | 174.6 | 167.7 | 0 | 0 | 0 | 0 | 110.3 | S133 G134 Q139 R140 A141 | S133-V137 WeakPolarHBondContact O-CB 2.98Å; S133-V137 VanDerWaalsContact O-CG2 3.24Å; S133-V137 WeakPolarHBondContact O-CG2 3.43Å; S133-V137 PolarHBondContact O-N 3.32Å; G134-V137 PolarHBondContact O-N 3.43Å; V137-Q139 VanDerWaalsContact C-N 3.33Å; V137-Q139 PolarHBondContact O-N 2.92Å; V137-R140 PolarHBondContact O-N 2.88Å; V137-A141 WeakPolarHBondContact O-CB 3.04Å; V137-A141 PolarHBondContact O-N 2.92Å |
| 138 | L | 55.5 | Low | 48.2 | Very low | 130 Ų | 130 | 103.2 Ų | 103.2 | 68% | 0.681 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63 | -37.2 | 174.3 | -98.9 | 105.2 | 0 | 0 | 0 | 112.8 | G134 L135 A142 | G134-L138 VanDerWaalsContact O-CD1 3.3Å; G134-L138 WeakPolarHBondContact O-CD1 3.49Å; G134-L138 PolarHBondContact O-N 3.33Å; L135-L138 PolarHBondContact O-N 3.39Å; L138-A142 PolarHBondContact O-N 2.9Å; L138-A142 VanDerWaalsContact O-N 3.11Å |
| 139 | Q | 52.6 | Low | 47.6 | Very low | 100 Ų | 100 | 109.7 Ų | 109.7 | 47% | 0.467 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.4 | -37.6 | 175.9 | -75.9 | -175.4 | -14.5 | 0 | 0 | 112.5 | L135 L136 V137 A142 | L135-Q139 WeakPolarHBondContact O-CB 3.46Å; L135-Q139 WeakPolarHBondContact O-CG 3.29Å; L135-Q139 PolarHBondContact O-N 2.62Å; L136-Q139 PolarHBondContact O-N 2.93Å; V137-Q139 VanDerWaalsContact C-N 3.33Å; V137-Q139 PolarHBondContact O-N 2.92Å; Q139-A142 PolarHBondContact O-N 3.06Å |
| 140 | R | 52 | Low | 47.2 | Very low | 216 Ų | 216 | 113.3 Ų | 113.3 | 82% | 0.815 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -73.4 | -35.9 | 176.1 | -73.2 | -95.3 | -171.1 | 112.4 | -1.2 | 112.3 | L136 V137 A142 | L136-R140 VanDerWaalsContact O-CB 3.29Å; L136-R140 WeakPolarHBondContact O-CB 3.44Å; L136-R140 WeakPolarHBondContact O-CG 3.35Å; L136-R140 PolarHBondContact O-N 3.01Å; V137-R140 PolarHBondContact O-N 2.88Å; R140-A142 PolarHBondContact O-N 3.33Å |
| 141 | A | 51.2 | Low | 46.3 | Very low | 77 Ų | 77 | 120.2 Ų | 120.2 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -80 | -1.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V137 P143 | V137-A141 WeakPolarHBondContact O-CB 3.04Å; V137-A141 PolarHBondContact O-N 2.92Å; A141-P143 WeakPolarHBondContact O-CD 3.21Å |
| 142 | A | 46.4 | Very low | 45.9 | Very low | 72 Ų | 72 | 124.6 Ų | 124.6 | 60% | 0.595 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -96.7 | 67.7 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | L138 Q139 R140 N144 | L138-A142 PolarHBondContact O-N 2.9Å; L138-A142 VanDerWaalsContact O-N 3.11Å; Q139-A142 PolarHBondContact O-N 3.06Å; R140-A142 PolarHBondContact O-N 3.33Å; A142-N144 PolarHBondContact O-N 3.29Å |
| 143 | P | 42.3 | Very low | 45.6 | Very low | 105 Ų | 105 | 124.3 Ų | 124.3 | 68% | 0.682 | 65% | 0.647 | S | S | * | * | trans | -69.5 | 118 | 173.4 | 30.3 | -31.3 | 0 | 0 | 0 | 109.2 | A141 | A141-P143 WeakPolarHBondContact O-CD 3.21Š| ||
| 144 | N | 45.3 | Very low | 45.5 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 71% | 0.711 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 76.2 | 33.2 | 136.5 | -134.7 | 13.7 | 0 | 0 | 0 | 121 | A142 A147 | A142-N144 PolarHBondContact O-N 3.29Å; N144-A147 WeakPolarHBondContact OD1-CB 3.18Å |
| 145 | D | 43.9 | Very low | 45.4 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 84% | 0.84 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -93.7 | 7.6 | 165.5 | -142.4 | -86.4 | 0 | 0 | 0 | 113.6 | ||
| 146 | R | 39.9 | Very low | 45.1 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 63% | 0.63 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -106.5 | -3.6 | 178.9 | -67.8 | -168.9 | -174.9 | -136.5 | 2.8 | 114.8 | T94 | T94-R146 PolarHBondContact OG1-NH2 3.45Š|
| 147 | A | 37.9 | Very low | 44.6 | Very low | 80 Ų | 80 | 144.4 Ų | 144.4 | 66% | 0.661 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -89.8 | 2.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N144 | N144-A147 WeakPolarHBondContact OD1-CB 3.18Š|
| 148 | R | 37.8 | Very low | 43.8 | Very low | 224 Ų | 224 | 148.1 Ų | 148.1 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -124.5 | 53.5 | -180 | -163.8 | -175.8 | 178.6 | -96.8 | -2 | 112.2 | ||
| 149 | K | 37.4 | Very low | 43 | Very low | 189 Ų | 189 | 149.5 Ų | 149.5 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -131.3 | -4.7 | 162.4 | -87.6 | -169.4 | 176.4 | 175 | 0 | 115 | ||
| 150 | D | 38.8 | Very low | 42.2 | Very low | 154 Ų | 154 | 153.6 Ų | 153.6 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | -132.6 | 56.2 | 179.4 | -52.7 | -47.7 | 0 | 0 | 0 | 111 | ||||
| 151 | E | 33 | Very low | 41.3 | Very low | 269 Ų | 269 | 147.9 Ų | 147.9 | 100% | 1.257 | 77% | 0.773 | S | S | * | * | trans | -165.8 | 0 | 148.9 | -117.4 | 177.1 | 92.5 | 0 | 0 | 111.1 |
Retrieved 151 of 151 residues in 339.3 ms
(Link to these results)