| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.1 | Very low | 47.7 | Very low | 227 Ų | 227 | 106 Ų | 106 | 100% | 1.118 | 62% | 0.622 | S | S | * | * | 0 | -23.6 | 0 | -84.1 | 170.4 | 172.1 | 0 | 0 | 114 | Q3 | M1-Q3 PolarHBondContact O-N 3.48Š| |||
| 2 | G | 50.8 | Low | 48.5 | Very low | 54 Ų | 54 | 104.2 Ų | 104.2 | 56% | 0.557 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -80.2 | -7.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 3 | Q | 40.6 | Very low | 49.2 | Very low | 182 Ų | 182 | 106.7 Ų | 106.7 | 85% | 0.85 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -82.3 | -27.6 | 178.2 | -90.3 | 172.3 | -27.2 | 0 | 0 | 113.5 | M1 S7 | M1-Q3 PolarHBondContact O-N 3.48Å; Q3-S7 PolarHBondContact O-N 3Å |
| 4 | G | 44.3 | Very low | 50.1 | Low | 52 Ų | 52 | 107.9 Ų | 107.9 | 54% | 0.536 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -74.3 | -35.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | A8 | G4-A8 WeakPolarHBondContact O-CB 3.47Å; G4-A8 PolarHBondContact O-N 3.49Å |
| 5 | E | 45.6 | Very low | 51.1 | Low | 142 Ų | 142 | 102.9 Ų | 102.9 | 66% | 0.664 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -75.5 | -32.4 | -179 | -67.8 | 178.9 | 128.8 | 0 | 0 | 113.1 | R9 | E5-R9 WeakPolarHBondContact O-CB 3.32Å; E5-R9 PolarHBondContact O-N 2.91Å |
| 6 | A | 48.5 | Very low | 52.4 | Low | 68 Ų | 68 | 103.7 Ų | 103.7 | 56% | 0.562 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -71.3 | -38.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G10 | A6-G10 PolarHBondContact O-N 2.96Å |
| 7 | S | 46.7 | Very low | 54 | Low | 83 Ų | 83 | 101.8 Ų | 101.8 | 58% | 0.58 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -72.2 | -36.2 | 175.5 | -177.6 | 0 | 0 | 0 | 0 | 112.3 | Q3 T11 | Q3-S7 PolarHBondContact O-N 3Å; S7-T11 PolarHBondContact O-N 2.88Å; S7-T11 VanDerWaalsContact O-N 3.15Å; S7-T11 PolarHBondContact O-OG1 2.98Å |
| 8 | A | 47.5 | Very low | 55.3 | Low | 51 Ų | 51 | 99.2 Ų | 99.2 | 42% | 0.421 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.7 | -40.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G4 T11 T12 | G4-A8 WeakPolarHBondContact O-CB 3.47Å; G4-A8 PolarHBondContact O-N 3.49Å; A8-T11 WeakPolarHBondContact CA-OG1 3.34Å; A8-T11 PolarHBondContact O-N 3Å; A8-T11 PolarHBondContact O-OG1 3.43Å; A8-T11 VanDerWaalsContact O-OG1 3.05Å; A8-T12 PolarHBondContact O-N 3.05Å; A8-T12 PolarHBondContact O-OG1 2.96Å |
| 9 | R | 46.3 | Very low | 56.8 | Low | 192 Ų | 192 | 98 Ų | 98 | 73% | 0.725 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.5 | -40.9 | 174.1 | -104.8 | -179.8 | 170.9 | 158.1 | -1.7 | 112.8 | E5 T12 M13 | E5-R9 WeakPolarHBondContact O-CB 3.32Å; E5-R9 PolarHBondContact O-N 2.91Å; R9-T12 WeakPolarHBondContact CA-OG1 3.28Å; R9-T12 PolarHBondContact O-N 3.05Å; R9-T12 PolarHBondContact O-OG1 3.32Å; R9-M13 WeakPolarHBondContact O-CB 3.2Å; R9-M13 PolarHBondContact O-N 3.46Å |
| 10 | G | 50.2 | Low | 58.2 | Low | 29 Ų | 29 | 96.6 Ų | 96.6 | 30% | 0.299 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59.2 | -48.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A6 T12 M13 E14 | A6-G10 PolarHBondContact O-N 2.96Å; G10-T12 PolarHBondContact O-N 3.15Å; G10-M13 PolarHBondContact O-N 3.37Å; G10-E14 WeakPolarHBondContact O-CB 3.46Å; G10-E14 WeakPolarHBondContact O-CG 3.37Å; G10-E14 PolarHBondContact O-N 3.5Å |
| 11 | T | 55.1 | Low | 59.5 | Low | 86 Ų | 86 | 93.1 Ų | 93.1 | 53% | 0.528 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.8 | -35 | 179.1 | 35.4 | 0 | 0 | 0 | 0 | 113.8 | S7 A8 G15 | S7-T11 PolarHBondContact O-N 2.88Å; S7-T11 VanDerWaalsContact O-N 3.15Å; S7-T11 PolarHBondContact O-OG1 2.98Å; A8-T11 WeakPolarHBondContact CA-OG1 3.34Å; A8-T11 PolarHBondContact O-N 3Å; A8-T11 PolarHBondContact O-OG1 3.43Å; A8-T11 VanDerWaalsContact O-OG1 3.05Å; T11-G15 PolarHBondContact O-N 2.77Å |
| 12 | T | 57.2 | Low | 61.3 | Low | 84 Ų | 84 | 85.3 Ų | 85.3 | 52% | 0.515 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.2 | -40.7 | 171.7 | 39.6 | 0 | 0 | 0 | 0 | 113.1 | A8 R9 G10 G15 D16 | A8-T12 PolarHBondContact O-N 3.05Å; A8-T12 PolarHBondContact O-OG1 2.96Å; R9-T12 WeakPolarHBondContact CA-OG1 3.28Å; R9-T12 PolarHBondContact O-N 3.05Å; R9-T12 PolarHBondContact O-OG1 3.32Å; G10-T12 PolarHBondContact O-N 3.15Å; T12-G15 PolarHBondContact O-N 3.05Å; T12-D16 PolarHBondContact O-N 3.2Å |
| 13 | M | 58.1 | Low | 63.1 | Low | 137 Ų | 137 | 90.2 Ų | 90.2 | 68% | 0.675 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.7 | -36.1 | 177 | -86.3 | 174.8 | 65.6 | 0 | 0 | 112.6 | R9 G10 C17 | R9-M13 WeakPolarHBondContact O-CB 3.2Å; R9-M13 PolarHBondContact O-N 3.46Å; G10-M13 PolarHBondContact O-N 3.37Å; M13-C17 VanDerWaalsContact O-CB 3.28Å; M13-C17 WeakPolarHBondContact O-CB 3.38Å; M13-C17 PolarHBondContact O-N 3.06Å; M13-C17 VanDerWaalsContact O-N 3.08Å |
| 14 | E | 61.1 | Low | 65.4 | Low | 124 Ų | 124 | 86.1 Ų | 86.1 | 58% | 0.579 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.5 | -39.6 | 174.7 | -76.4 | 171.7 | 110.2 | 0 | 0 | 111.8 | G10 L18 | G10-E14 WeakPolarHBondContact O-CB 3.46Å; G10-E14 WeakPolarHBondContact O-CG 3.37Å; G10-E14 PolarHBondContact O-N 3.5Å; E14-L18 WeakPolarHBondContact O-CB 3.47Å; E14-L18 WeakPolarHBondContact O-CD1 3.35Å; E14-L18 WeakPolarHBondContact O-CG 3.46Å; E14-L18 PolarHBondContact O-N 3.22Å |
| 15 | G | 64.9 | Low | 67.5 | Low | 32 Ų | 32 | 84 Ų | 84 | 33% | 0.33 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67 | -42 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | T11 T12 S19 | T11-G15 PolarHBondContact O-N 2.77Å; T12-G15 PolarHBondContact O-N 3.05Å; G15-S19 WeakPolarHBondContact O-CB 3.42Å; G15-S19 PolarHBondContact O-N 2.99Å; G15-S19 PolarHBondContact O-OG 2.94Å |
| 16 | D | 73.1 | Confident | 69.7 | Low | 116 Ų | 116 | 79.9 Ų | 79.9 | 62% | 0.62 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -68 | -37.8 | 177.7 | -70.7 | -22.5 | 0 | 0 | 0 | 111.7 | T12 S19 C20 | T12-D16 PolarHBondContact O-N 3.2Å; D16-S19 PolarHBondContact O-N 3.42Å; D16-C20 WeakPolarHBondContact O-CB 3.49Å; D16-C20 PolarHBondContact O-N 3.08Å |
| 17 | C | 78.4 | Confident | 71.8 | Confident | 71 Ų | 71 | 79.1 Ų | 79.1 | 48% | 0.48 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.3 | -46.8 | 176.3 | -173.6 | 0 | 0 | 0 | 0 | 112 | M13 S19 C20 I21 | M13-C17 VanDerWaalsContact O-CB 3.28Å; M13-C17 WeakPolarHBondContact O-CB 3.38Å; M13-C17 PolarHBondContact O-N 3.06Å; M13-C17 VanDerWaalsContact O-N 3.08Å; C17-S19 VanDerWaalsContact C-N 3.3Å; C17-S19 PolarHBondContact O-N 3.48Å; C17-C20 WeakPolarHBondContact O-CB 3.35Å; C17-C20 PolarHBondContact O-N 2.84Å; C17-I21 WeakPolarHBondContact O-CG1 3.37Å; C17-I21 PolarHBondContact O-N 3.47Å |
| 18 | L | 78.4 | Confident | 73.9 | Confident | 56 Ų | 56 | 79.5 Ų | 79.5 | 29% | 0.293 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 176.2 | -79.7 | 162 | 0 | 0 | 0 | 111.9 | E14 I21 K22 L252 | E14-L18 WeakPolarHBondContact O-CB 3.47Å; E14-L18 WeakPolarHBondContact O-CD1 3.35Å; E14-L18 WeakPolarHBondContact O-CG 3.46Å; E14-L18 PolarHBondContact O-N 3.22Å; L18-I21 PolarHBondContact O-N 3.47Å; L18-K22 WeakPolarHBondContact O-CB 3.38Å; L18-K22 PolarHBondContact O-N 3.24Å; L18-L252 HydrophobicContact CD2-CD2 4.31Å |
| 19 | S | 83 | Confident | 76.1 | Confident | 76 Ų | 76 | 77.4 Ų | 77.4 | 53% | 0.531 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 175.2 | -62.2 | 0 | 0 | 0 | 0 | 112.1 | G15 D16 C17 K22 Y23 | G15-S19 WeakPolarHBondContact O-CB 3.42Å; G15-S19 PolarHBondContact O-N 2.99Å; G15-S19 PolarHBondContact O-OG 2.94Å; D16-S19 PolarHBondContact O-N 3.42Å; C17-S19 VanDerWaalsContact C-N 3.3Å; C17-S19 PolarHBondContact O-N 3.48Å; S19-K22 PolarHBondContact O-N 3.02Å; S19-Y23 PolarHBondContact O-N 3.06Å |
| 20 | C | 85.8 | Confident | 78.4 | Confident | 69 Ų | 69 | 72.4 Ų | 72.4 | 47% | 0.466 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.3 | -47.8 | 174.3 | -174.3 | 0 | 0 | 0 | 0 | 111.8 | D16 C17 K22 Y23 L24 | D16-C20 WeakPolarHBondContact O-CB 3.49Å; D16-C20 PolarHBondContact O-N 3.08Å; C17-C20 WeakPolarHBondContact O-CB 3.35Å; C17-C20 PolarHBondContact O-N 2.84Å; C20-K22 VanDerWaalsContact C-N 3.32Å; C20-K22 PolarHBondContact O-N 2.9Å; C20-Y23 PolarHBondContact O-N 3.46Å; C20-L24 WeakPolarHBondContact O-CB 3.33Å; C20-L24 WeakPolarHBondContact O-CG 3.16Å; C20-L24 PolarHBondContact O-N 2.91Å |
| 21 | I | 85.7 | Confident | 80.5 | Confident | 25 Ų | 25 | 76.1 Ų | 76.1 | 13% | 0.128 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 177.5 | -67.5 | 167.7 | 0 | 0 | 0 | 110.8 | C17 L18 Y23 L24 M25 F248 L252 | C17-I21 WeakPolarHBondContact O-CG1 3.37Å; C17-I21 PolarHBondContact O-N 3.47Å; L18-I21 PolarHBondContact O-N 3.47Å; I21-Y23 PolarHBondContact O-N 3.47Å; I21-L24 PolarHBondContact O-N 3.42Å; I21-M25 WeakPolarHBondContact O-CB 3.45Å; I21-M25 PolarHBondContact O-N 3.37Å; I21-F248 HydrophobicContact CG1-CD1 4.47Å; I21-F248 HydrophobicContact CG2-CB 3.78Å; I21-F248 HydrophobicContact CG2-CD1 3.92Å; I21-F248 HydrophobicContact CG2-CG 3.88Å; I21-L252 HydrophobicContact CG2-CD1 4.23Å; I21-L252 HydrophobicContact CG2-CD2 4.34Å; I21-L252 HydrophobicContact CG2-CG 4.04Å |
| 22 | K | 87.1 | Confident | 82.4 | Confident | 62 Ų | 62 | 74 Ų | 74 | 27% | 0.27 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 176.3 | -178.7 | 178.1 | 174 | 173.4 | 0 | 111.6 | L18 S19 C20 F26 A88 E91 L252 | L18-K22 WeakPolarHBondContact O-CB 3.38Å; L18-K22 PolarHBondContact O-N 3.24Å; S19-K22 PolarHBondContact O-N 3.02Å; C20-K22 VanDerWaalsContact C-N 3.32Å; C20-K22 PolarHBondContact O-N 2.9Å; K22-F26 WeakPolarHBondContact O-CB 3.38Å; K22-F26 PolarHBondContact O-N 3.41Å; K22-A88 WeakPolarHBondContact CE-O 3.46Å; K22-E91 IonicContact NZ-OE1 2.65Å; K22-E91 PolarHBondContact NZ-OE1 3.23Å; K22-L252 HydrophobicContact CB-CD2 3.9Å |
| 23 | Y | 88.5 | Confident | 84.3 | Confident | 157 Ų | 157 | 72.2 Ų | 72.2 | 62% | 0.616 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -68.2 | -44.9 | -179.4 | -170.3 | -99.5 | 0 | 0 | 0 | 112.2 | S19 C20 I21 M25 F26 V27 | S19-Y23 PolarHBondContact O-N 3.06Å; C20-Y23 PolarHBondContact O-N 3.46Å; I21-Y23 PolarHBondContact O-N 3.47Å; Y23-M25 PolarHBondContact O-N 2.93Å; Y23-F26 PolarHBondContact O-N 2.65Å; Y23-V27 HydrophobicContact CD1-CG2 3.94Å; Y23-V27 HydrophobicContact CE1-CG2 3.55Å; Y23-V27 HydrophobicContact CE2-CG2 4.29Å; Y23-V27 HydrophobicContact CG-CG2 4.47Å; Y23-V27 WeakPolarHBondContact O-CG2 3.19Å; Y23-V27 PolarHBondContact O-N 3.26Å |
| 24 | L | 88.1 | Confident | 86.1 | Confident | 96 Ų | 96 | 69.6 Ų | 69.6 | 50% | 0.503 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 175.7 | -73.8 | 172.1 | 0 | 0 | 0 | 111.6 | C20 I21 F26 V27 F28 | C20-L24 WeakPolarHBondContact O-CB 3.33Å; C20-L24 WeakPolarHBondContact O-CG 3.16Å; C20-L24 PolarHBondContact O-N 2.91Å; I21-L24 PolarHBondContact O-N 3.42Å; L24-F26 VanDerWaalsContact C-N 3.34Å; L24-F26 PolarHBondContact O-N 3.29Å; L24-V27 PolarHBondContact O-N 3.42Å; L24-F28 WeakPolarHBondContact O-CB 3.38Å; L24-F28 PolarHBondContact O-N 3.4Å |
| 25 | M | 88.6 | Confident | 87.8 | Confident | 7 Ų | 7 | 65.2 Ų | 65.2 | 3% | 0.034 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 176.8 | -176.6 | 172.3 | 171.4 | 0 | 0 | 111.1 | I21 Y23 N29 A88 L96 F99 A249 L252 | I21-M25 WeakPolarHBondContact O-CB 3.45Å; I21-M25 PolarHBondContact O-N 3.37Å; Y23-M25 PolarHBondContact O-N 2.93Å; M25-N29 VanDerWaalsContact CG-ND2 3.33Å; M25-N29 WeakPolarHBondContact CG-ND2 3.31Å; M25-N29 VanDerWaalsContact O-CB 3.31Å; M25-N29 WeakPolarHBondContact O-CB 3.49Å; M25-N29 PolarHBondContact O-N 3.48Å; M25-N29 PolarHBondContact O-ND2 3.42Å; M25-A88 HydrophobicContact CG-CB 4.47Å; M25-L96 HydrophobicContact CE-CD1 3.55Å; M25-L96 HydrophobicContact SD-CD1 4.21Å; M25-F99 HydrophobicContact CE-CD1 3.67Å; M25-F99 HydrophobicContact CE-CE1 3.49Å; M25-F99 VanDerWaalsContact CE-CE1 3.49Å; M25-F99 HydrophobicContact CE-CG 4.45Å; M25-F99 HydrophobicContact CE-CZ 4.15Å; M25-A249 HydrophobicContact CE-CB 4.41Å; M25-L252 HydrophobicContact CB-CD1 4.36Å; M25-L252 HydrophobicContact SD-CD1 3.49Å; M25-L252 WeakPolarHBondContact SD-CD1 3.42Å |
| 26 | F | 91 | Very high | 89.3 | Confident | 56 Ų | 56 | 63.7 Ų | 63.7 | 25% | 0.246 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.8 | -51.5 | 176.5 | 172.8 | -108.1 | 0 | 0 | 0 | 111.8 | K22 Y23 L24 F28 N29 F30 C85 I89 | K22-F26 WeakPolarHBondContact O-CB 3.38Å; K22-F26 PolarHBondContact O-N 3.41Å; Y23-F26 PolarHBondContact O-N 2.65Å; L24-F26 VanDerWaalsContact C-N 3.34Å; L24-F26 PolarHBondContact O-N 3.29Å; F26-F28 PolarHBondContact O-N 3.02Å; F26-N29 PolarHBondContact O-N 2.96Å; F26-F30 HydrophobicContact CE2-CB 4.41Å; F26-F30 HydrophobicContact CZ-CB 4.38Å; F26-F30 HydrophobicContact CZ-CD2 4.32Å; F26-F30 HydrophobicContact CZ-CG 4.39Å; F26-F30 WeakPolarHBondContact O-CB 3.37Å; F26-F30 PolarHBondContact O-N 3.01Å; F26-C85 HydrophobicContact CD2-CB 3.95Å; F26-C85 HydrophobicContact CE2-CB 3.95Å; F26-I89 HydrophobicContact CD2-CD1 3.4Å; F26-I89 VanDerWaalsContact CD2-CD1 3.4Å; F26-I89 HydrophobicContact CD2-CG1 3.7Å; F26-I89 HydrophobicContact CE1-CD1 4.5Å; F26-I89 HydrophobicContact CE2-CD1 3.12Å; F26-I89 HydrophobicContact CE2-CG1 3.98Å; F26-I89 HydrophobicContact CG-CD1 4.23Å; F26-I89 HydrophobicContact CG-CG1 4.28Å; F26-I89 HydrophobicContact CZ-CD1 3.73Å |
| 27 | V | 92.4 | Very high | 90.4 | Very high | 53 Ų | 53 | 60.2 Ų | 60.2 | 32% | 0.321 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.8 | -47 | -178.5 | 171.8 | 0 | 0 | 0 | 0 | 111 | Y23 L24 F30 L31 | Y23-V27 HydrophobicContact CD1-CG2 3.94Å; Y23-V27 HydrophobicContact CE1-CG2 3.55Å; Y23-V27 HydrophobicContact CE2-CG2 4.29Å; Y23-V27 HydrophobicContact CG-CG2 4.47Å; Y23-V27 WeakPolarHBondContact O-CG2 3.19Å; Y23-V27 PolarHBondContact O-N 3.26Å; L24-V27 PolarHBondContact O-N 3.42Å; V27-F30 PolarHBondContact O-N 2.88Å; V27-L31 HydrophobicContact CG1-CD1 4.43Å; V27-L31 WeakPolarHBondContact O-CG 3.21Å; V27-L31 PolarHBondContact O-N 2.84Å |
| 28 | F | 91.4 | Very high | 91.3 | Very high | 91 Ų | 91 | 63.6 Ų | 63.6 | 40% | 0.399 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.1 | -47.2 | -179.4 | -174.4 | -103.7 | 0 | 0 | 0 | 112.3 | L24 F26 F30 L31 I32 I241 | L24-F28 WeakPolarHBondContact O-CB 3.38Å; L24-F28 PolarHBondContact O-N 3.4Å; F26-F28 PolarHBondContact O-N 3.02Å; F28-F30 VanDerWaalsContact C-N 3.25Å; F28-F30 PolarHBondContact O-N 2.78Å; F28-L31 PolarHBondContact O-N 2.86Å; F28-I32 HydrophobicContact CD1-CD1 3.71Å; F28-I32 HydrophobicContact CE1-CD1 3.29Å; F28-I32 HydrophobicContact CE1-CG1 4.28Å; F28-I32 HydrophobicContact CZ-CD1 3.84Å; F28-I32 HydrophobicContact CZ-CG1 4.5Å; F28-I32 WeakPolarHBondContact O-CG1 3.44Å; F28-I32 PolarHBondContact O-N 3.25Å; F28-I241 HydrophobicContact CE1-CG2 3.69Å; F28-I241 HydrophobicContact CZ-CD1 4.48Å; F28-I241 HydrophobicContact CZ-CG2 3.55Å |
| 29 | N | 93.5 | Very high | 92.2 | Very high | 7 Ų | 7 | 63.5 Ų | 63.5 | 4% | 0.037 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.9 | -29.8 | 176.8 | -78 | -78.2 | 0 | 0 | 0 | 112.3 | M25 F26 I32 F33 G81 F99 | M25-N29 VanDerWaalsContact CG-ND2 3.33Å; M25-N29 WeakPolarHBondContact CG-ND2 3.31Å; M25-N29 VanDerWaalsContact O-CB 3.31Å; M25-N29 WeakPolarHBondContact O-CB 3.49Å; M25-N29 PolarHBondContact O-N 3.48Å; M25-N29 PolarHBondContact O-ND2 3.42Å; F26-N29 PolarHBondContact O-N 2.96Å; N29-I32 PolarHBondContact O-N 2.7Å; N29-F33 WeakPolarHBondContact O-CB 3.44Å; N29-F33 PolarHBondContact O-N 3.44Å; N29-G81 VanDerWaalsContact O-CA 3.28Å; N29-G81 WeakPolarHBondContact O-CA 3.34Å; N29-F99 WeakPolarHBondContact OD1-CE2 3.21Å |
| 30 | F | 94.2 | Very high | 92.8 | Very high | 86 Ų | 86 | 62 Ų | 62 | 38% | 0.377 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70.3 | -39.8 | 176.8 | -176.1 | -107.4 | 0 | 0 | 0 | 111.2 | F26 V27 F28 F33 L34 C85 | F26-F30 HydrophobicContact CE2-CB 4.41Å; F26-F30 HydrophobicContact CZ-CB 4.38Å; F26-F30 HydrophobicContact CZ-CD2 4.32Å; F26-F30 HydrophobicContact CZ-CG 4.39Å; F26-F30 WeakPolarHBondContact O-CB 3.37Å; F26-F30 PolarHBondContact O-N 3.01Å; V27-F30 PolarHBondContact O-N 2.88Å; F28-F30 VanDerWaalsContact C-N 3.25Å; F28-F30 PolarHBondContact O-N 2.78Å; F30-F33 HydrophobicContact CD2-CD1 4.42Å; F30-F33 HydrophobicContact CE2-CD1 4.4Å; F30-F33 WeakPolarHBondContact O-CB 3.38Å; F30-F33 PolarHBondContact O-N 2.93Å; F30-L34 HydrophobicContact CD1-CD1 4.04Å; F30-L34 HydrophobicContact CD1-CG 4.41Å; F30-L34 HydrophobicContact CE1-CD1 3.57Å; F30-L34 HydrophobicContact CE1-CG 4.08Å; F30-L34 HydrophobicContact CZ-CD1 4.04Å; F30-L34 HydrophobicContact CZ-CD2 4.15Å; F30-L34 HydrophobicContact CZ-CG 4.16Å; F30-L34 WeakPolarHBondContact O-CG 3.47Å; F30-L34 PolarHBondContact O-N 2.85Å; F30-C85 WeakPolarHBondContact CA-SG 3.29Å; F30-C85 PolarHBondContact N-SG 2.92Å |
| 31 | L | 95.3 | Very high | 93.2 | Very high | 107 Ų | 107 | 60.8 Ų | 60.8 | 56% | 0.56 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 172.2 | -66.9 | 175.5 | 0 | 0 | 0 | 111.6 | V27 F28 F33 L34 G35 | V27-L31 HydrophobicContact CG1-CD1 4.43Å; V27-L31 WeakPolarHBondContact O-CG 3.21Å; V27-L31 PolarHBondContact O-N 2.84Å; F28-L31 PolarHBondContact O-N 2.86Å; L31-F33 VanDerWaalsContact C-N 3.33Å; L31-F33 PolarHBondContact O-N 3.34Å; L31-L34 PolarHBondContact O-N 3.25Å; L31-G35 PolarHBondContact O-N 3.48Å |
| 32 | I | 94.6 | Very high | 93.5 | Very high | 43 Ų | 43 | 62.4 Ų | 62.4 | 22% | 0.221 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 174.1 | -70.8 | 173.1 | 0 | 0 | 0 | 110.9 | F28 N29 L34 G35 G36 L77 | F28-I32 HydrophobicContact CD1-CD1 3.71Å; F28-I32 HydrophobicContact CE1-CD1 3.29Å; F28-I32 HydrophobicContact CE1-CG1 4.28Å; F28-I32 HydrophobicContact CZ-CD1 3.84Å; F28-I32 HydrophobicContact CZ-CG1 4.5Å; F28-I32 WeakPolarHBondContact O-CG1 3.44Å; F28-I32 PolarHBondContact O-N 3.25Å; N29-I32 PolarHBondContact O-N 2.7Å; I32-L34 PolarHBondContact O-N 3.34Å; I32-G35 PolarHBondContact O-N 3.35Å; I32-G36 PolarHBondContact O-N 3.46Å; I32-L77 HydrophobicContact CG2-CB 4.07Å; I32-L77 HydrophobicContact CG2-CD2 4.04Å; I32-L77 WeakPolarHBondContact CG2-O 3.49Å |
| 33 | F | 96.6 | Very high | 93.7 | Very high | 45 Ų | 45 | 59.6 Ų | 59.6 | 20% | 0.197 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.2 | -48.4 | 176.9 | 170.5 | -96.3 | 0 | 0 | 0 | 111.6 | N29 F30 L31 G35 G36 S37 F78 F82 | N29-F33 WeakPolarHBondContact O-CB 3.44Å; N29-F33 PolarHBondContact O-N 3.44Å; F30-F33 HydrophobicContact CD2-CD1 4.42Å; F30-F33 HydrophobicContact CE2-CD1 4.4Å; F30-F33 WeakPolarHBondContact O-CB 3.38Å; F30-F33 PolarHBondContact O-N 2.93Å; L31-F33 VanDerWaalsContact C-N 3.33Å; L31-F33 PolarHBondContact O-N 3.34Å; F33-G35 PolarHBondContact O-N 2.99Å; F33-G36 PolarHBondContact O-N 2.89Å; F33-S37 PolarHBondContact O-N 2.87Å; F33-S37 PolarHBondContact O-OG 3.49Å; F33-F78 AromaticContact CD2-CD2 3.74Å; F33-F78 HydrophobicContact CD2-CD2 3.74Å; F33-F78 AromaticContact CD2-CE2 3.82Å; F33-F78 HydrophobicContact CD2-CE2 3.82Å; F33-F78 HydrophobicContact CD2-CG 4.37Å; F33-F78 HydrophobicContact CD2-CZ 4.46Å; F33-F78 AromaticContact CE2-CD2 3.47Å; F33-F78 HydrophobicContact CE2-CD2 3.47Å; F33-F78 VanDerWaalsContact CE2-CD2 3.47Å; F33-F78 HydrophobicContact CE2-CE1 4.35Å; F33-F78 AromaticContact CE2-CE2 3.04Å; F33-F78 HydrophobicContact CE2-CE2 3.04Å; F33-F78 HydrophobicContact CE2-CG 4.31Å; F33-F78 AromaticContact CE2-CZ 3.54Å; F33-F78 HydrophobicContact CE2-CZ 3.54Å; F33-F78 HydrophobicContact CZ-CD2 4.19Å; F33-F78 AromaticContact CZ-CE2 3.53Å; F33-F78 HydrophobicContact CZ-CE2 3.53Å; F33-F78 HydrophobicContact CZ-CZ 4.17Å; F33-F82 HydrophobicContact CD2-CB 3.98Å; F33-F82 HydrophobicContact CE2-CB 4.17Å; F33-F82 HydrophobicContact CE2-CD2 4.23Å |
| 34 | L | 97.1 | Very high | 94 | Very high | 82 Ų | 82 | 55.6 Ų | 55.6 | 43% | 0.429 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 177.2 | -69.5 | -179.6 | 0 | 0 | 0 | 112.1 | F30 L31 I32 S37 F38 | F30-L34 HydrophobicContact CD1-CD1 4.04Å; F30-L34 HydrophobicContact CD1-CG 4.41Å; F30-L34 HydrophobicContact CE1-CD1 3.57Å; F30-L34 HydrophobicContact CE1-CG 4.08Å; F30-L34 HydrophobicContact CZ-CD1 4.04Å; F30-L34 HydrophobicContact CZ-CD2 4.15Å; F30-L34 HydrophobicContact CZ-CG 4.16Å; F30-L34 WeakPolarHBondContact O-CG 3.47Å; F30-L34 PolarHBondContact O-N 2.85Å; L31-L34 PolarHBondContact O-N 3.25Å; I32-L34 PolarHBondContact O-N 3.34Å; L34-S37 PolarHBondContact O-N 3.07Å; L34-F38 WeakPolarHBondContact O-CB 3.4Å; L34-F38 PolarHBondContact O-N 2.88Å |
| 35 | G | 96.1 | Very high | 94.1 | Very high | 32 Ų | 32 | 59.4 Ų | 59.4 | 33% | 0.33 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L31 I32 F33 F38 L39 | L31-G35 PolarHBondContact O-N 3.48Å; I32-G35 PolarHBondContact O-N 3.35Å; F33-G35 PolarHBondContact O-N 2.99Å; G35-F38 PolarHBondContact O-N 3.21Å; G35-L39 WeakPolarHBondContact O-CG 3.37Å; G35-L39 PolarHBondContact O-N 3.47Å |
| 36 | G | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I32 F33 F38 L39 L40 G74 | I32-G36 PolarHBondContact O-N 3.46Å; F33-G36 PolarHBondContact O-N 2.89Å; G36-F38 VanDerWaalsContact C-N 3.32Å; G36-F38 PolarHBondContact O-N 3.27Å; G36-L39 PolarHBondContact O-N 2.94Å; G36-L40 WeakPolarHBondContact O-CB 3.07Å; G36-L40 WeakPolarHBondContact O-CG 3.36Å; G36-L40 PolarHBondContact O-N 2.98Å; G36-G74 WeakPolarHBondContact CA-O 3.21Å |
| 37 | S | 96.8 | Very high | 93.9 | Very high | 43 Ų | 43 | 59.8 Ų | 59.8 | 30% | 0.301 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.4 | -41.6 | 173.9 | -68.6 | 0 | 0 | 0 | 0 | 112.4 | F33 L34 G41 F78 | F33-S37 PolarHBondContact O-N 2.87Å; F33-S37 PolarHBondContact O-OG 3.49Å; L34-S37 PolarHBondContact O-N 3.07Å; S37-G41 PolarHBondContact O-N 3.41Å; S37-F78 VanDerWaalsContact OG-CD2 3.26Å; S37-F78 WeakPolarHBondContact OG-CD2 3.42Å; S37-F78 WeakPolarHBondContact OG-CE2 3.43Å |
| 38 | F | 96.9 | Very high | 93.7 | Very high | 142 Ų | 142 | 62.3 Ų | 62.3 | 62% | 0.623 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.4 | -48.4 | 176.9 | 177.8 | -100.2 | 0 | 0 | 0 | 111.6 | L34 G35 G36 L40 G41 V42 | L34-F38 WeakPolarHBondContact O-CB 3.4Å; L34-F38 PolarHBondContact O-N 2.88Å; G35-F38 PolarHBondContact O-N 3.21Å; G36-F38 VanDerWaalsContact C-N 3.32Å; G36-F38 PolarHBondContact O-N 3.27Å; F38-L40 VanDerWaalsContact C-N 3.35Å; F38-L40 PolarHBondContact O-N 3.45Å; F38-G41 PolarHBondContact O-N 3.36Å; F38-G41 VanDerWaalsContact O-N 3.16Å; F38-V42 HydrophobicContact CD1-CG2 4.36Å; F38-V42 HydrophobicContact CD2-CG2 4.5Å; F38-V42 HydrophobicContact CE1-CG2 3.92Å; F38-V42 HydrophobicContact CE2-CG2 4.08Å; F38-V42 HydrophobicContact CZ-CG2 3.77Å; F38-V42 WeakPolarHBondContact O-CG2 3.27Å; F38-V42 PolarHBondContact O-N 3.4Å |
| 39 | L | 96.1 | Very high | 93.3 | Very high | 55 Ų | 55 | 58.8 Ų | 58.8 | 29% | 0.288 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 177.8 | -70.5 | 176.4 | 0 | 0 | 0 | 112.2 | G35 G36 V42 G43 I70 L77 | G35-L39 WeakPolarHBondContact O-CG 3.37Å; G35-L39 PolarHBondContact O-N 3.47Å; G36-L39 PolarHBondContact O-N 2.94Å; L39-V42 PolarHBondContact O-N 3.45Å; L39-G43 PolarHBondContact O-N 3.11Å; L39-I70 HydrophobicContact CB-CG2 4.26Å; L39-I70 HydrophobicContact CD2-CG2 4.3Å; L39-L77 HydrophobicContact CD1-CD1 4Å |
| 40 | L | 95.9 | Very high | 91.9 | Very high | 45 Ų | 45 | 64.2 Ų | 64.2 | 24% | 0.236 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 172.7 | -77.7 | 175 | 0 | 0 | 0 | 111.6 | G36 F38 V42 G43 V44 L71 F78 | G36-L40 WeakPolarHBondContact O-CB 3.07Å; G36-L40 WeakPolarHBondContact O-CG 3.36Å; G36-L40 PolarHBondContact O-N 2.98Å; F38-L40 VanDerWaalsContact C-N 3.35Å; F38-L40 PolarHBondContact O-N 3.45Å; L40-V42 VanDerWaalsContact C-N 3.35Å; L40-V42 PolarHBondContact O-N 3.01Å; L40-G43 PolarHBondContact O-N 3.3Å; L40-V44 WeakPolarHBondContact O-CB 3.38Å; L40-V44 VanDerWaalsContact O-CG2 3.29Å; L40-V44 WeakPolarHBondContact O-CG2 3.43Å; L40-V44 PolarHBondContact O-N 2.73Å; L40-L71 HydrophobicContact CD2-CD2 4.04Å; L40-L71 WeakPolarHBondContact CD2-O 3.47Å; L40-F78 HydrophobicContact CD1-CB 3.87Å; L40-F78 HydrophobicContact CD1-CD2 4.35Å; L40-F78 HydrophobicContact CD1-CG 4.06Å |
| 41 | G | 94.5 | Very high | 91 | Very high | 43 Ų | 43 | 65.5 Ų | 65.5 | 44% | 0.443 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.5 | -47 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | S37 F38 W45 | S37-G41 PolarHBondContact O-N 3.41Å; F38-G41 PolarHBondContact O-N 3.36Å; F38-G41 VanDerWaalsContact O-N 3.16Å; G41-W45 WeakPolarHBondContact O-CB 3.48Å; G41-W45 PolarHBondContact O-N 3.07Å |
| 42 | V | 92.2 | Very high | 90 | Very high | 59 Ų | 59 | 61.6 Ų | 61.6 | 36% | 0.358 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 176.1 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | F38 L39 L40 V44 W45 V46 | F38-V42 HydrophobicContact CD1-CG2 4.36Å; F38-V42 HydrophobicContact CD2-CG2 4.5Å; F38-V42 HydrophobicContact CE1-CG2 3.92Å; F38-V42 HydrophobicContact CE2-CG2 4.08Å; F38-V42 HydrophobicContact CZ-CG2 3.77Å; F38-V42 WeakPolarHBondContact O-CG2 3.27Å; F38-V42 PolarHBondContact O-N 3.4Å; L39-V42 PolarHBondContact O-N 3.45Å; L40-V42 VanDerWaalsContact C-N 3.35Å; L40-V42 PolarHBondContact O-N 3.01Å; V42-V44 PolarHBondContact O-N 2.86Å; V42-W45 WeakPolarHBondContact O-CB 3.33Å; V42-W45 PolarHBondContact O-N 3.03Å; V42-V46 WeakPolarHBondContact O-CG2 3.3Å; V42-V46 PolarHBondContact O-N 3.49Å |
| 43 | G | 91.9 | Very high | 89.2 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L39 L40 V46 L47 | L39-G43 PolarHBondContact O-N 3.11Å; L40-G43 PolarHBondContact O-N 3.3Å; G43-V46 PolarHBondContact O-N 3.33Å; G43-L47 WeakPolarHBondContact O-CG 2.91Å; G43-L47 PolarHBondContact O-N 2.77Å |
| 44 | V | 92.9 | Very high | 88.5 | Confident | 73 Ų | 73 | 69.1 Ų | 69.1 | 44% | 0.442 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.5 | -42.7 | 176.6 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | L40 V42 V46 L47 V48 L71 | L40-V44 WeakPolarHBondContact O-CB 3.38Å; L40-V44 VanDerWaalsContact O-CG2 3.29Å; L40-V44 WeakPolarHBondContact O-CG2 3.43Å; L40-V44 PolarHBondContact O-N 2.73Å; V42-V44 PolarHBondContact O-N 2.86Å; V44-V46 VanDerWaalsContact C-N 3.32Å; V44-V46 PolarHBondContact O-N 3.3Å; V44-L47 PolarHBondContact O-N 3.29Å; V44-L47 VanDerWaalsContact O-N 3.13Å; V44-V48 HydrophobicContact CG1-CG2 3.98Å; V44-V48 WeakPolarHBondContact O-CB 3.35Å; V44-V48 WeakPolarHBondContact O-CG2 3.35Å; V44-V48 PolarHBondContact O-N 3.05Å; V44-L71 HydrophobicContact CG2-CD2 3.82Å |
| 45 | W | 91.4 | Very high | 87.8 | Confident | 176 Ų | 176 | 72.2 Ų | 72.2 | 67% | 0.667 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -54.4 | -49.3 | 175.6 | 177.6 | -88.8 | 0 | 0 | 0 | 111.1 | G41 V42 L47 V48 D49 | G41-W45 WeakPolarHBondContact O-CB 3.48Å; G41-W45 PolarHBondContact O-N 3.07Å; V42-W45 WeakPolarHBondContact O-CB 3.33Å; V42-W45 PolarHBondContact O-N 3.03Å; W45-L47 VanDerWaalsContact C-N 3.3Å; W45-L47 PolarHBondContact O-N 2.93Å; W45-V48 PolarHBondContact O-N 3.47Å; W45-D49 WeakPolarHBondContact O-CA 3.46Å; W45-D49 WeakPolarHBondContact O-CB 3.28Å; W45-D49 PolarHBondContact O-N 2.94Å |
| 46 | V | 88.8 | Confident | 87.1 | Confident | 26 Ų | 26 | 75.7 Ų | 75.7 | 16% | 0.158 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.9 | -36.3 | 178.8 | 174.2 | 0 | 0 | 0 | 0 | 112.3 | V42 G43 V44 V57 V67 | V42-V46 WeakPolarHBondContact O-CG2 3.3Å; V42-V46 PolarHBondContact O-N 3.49Å; G43-V46 PolarHBondContact O-N 3.33Å; V44-V46 VanDerWaalsContact C-N 3.32Å; V44-V46 PolarHBondContact O-N 3.3Å; V46-V57 HydrophobicContact CG1-CG2 4.13Å; V46-V67 HydrophobicContact CB-CG1 4.43Å; V46-V67 HydrophobicContact CB-CG2 4.41Å; V46-V67 HydrophobicContact CG1-CG1 4.29Å; V46-V67 HydrophobicContact CG1-CG2 3.64Å |
| 47 | L | 86 | Confident | 86.2 | Confident | 45 Ų | 45 | 76.4 Ų | 76.4 | 24% | 0.236 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -75.7 | -31.3 | 179 | -72.6 | -172.8 | 0 | 0 | 0 | 114 | G43 V44 W45 R54 V67 Y68 L71 | G43-L47 WeakPolarHBondContact O-CG 2.91Å; G43-L47 PolarHBondContact O-N 2.77Å; V44-L47 PolarHBondContact O-N 3.29Å; V44-L47 VanDerWaalsContact O-N 3.13Å; W45-L47 VanDerWaalsContact C-N 3.3Å; W45-L47 PolarHBondContact O-N 2.93Å; L47-R54 WeakPolarHBondContact O-CD 3.24Å; L47-V67 HydrophobicContact CD1-CG1 4.47Å; L47-V67 HydrophobicContact CD2-CG1 3.73Å; L47-V67 HydrophobicContact CG-CG1 3.77Å; L47-Y68 HydrophobicContact CD1-CE1 4.48Å; L47-L71 HydrophobicContact CD1-CD1 3.32Å; L47-L71 HydrophobicContact CG-CD1 4.12Å |
| 48 | V | 87.8 | Confident | 85.4 | Confident | 107 Ų | 107 | 76.7 Ų | 76.7 | 65% | 0.648 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -97.3 | -9.9 | -175 | -179.4 | 0 | 0 | 0 | 0 | 111.7 | V44 W45 P50 | V44-V48 HydrophobicContact CG1-CG2 3.98Å; V44-V48 WeakPolarHBondContact O-CB 3.35Å; V44-V48 WeakPolarHBondContact O-CG2 3.35Å; V44-V48 PolarHBondContact O-N 3.05Å; W45-V48 PolarHBondContact O-N 3.47Å; V48-P50 WeakPolarHBondContact O-CD 3.45Å; V48-P50 VanDerWaalsContact O-N 3.11Å |
| 49 | D | 84.6 | Confident | 84.8 | Confident | 16 Ų | 16 | 73.6 Ų | 73.6 | 9% | 0.086 | 41% | 0.413 | C | S | . | . | trans | -53.5 | 117.3 | -173.2 | -178.4 | 67.5 | 0 | 0 | 0 | 112.3 | W45 T51 F53 | W45-D49 WeakPolarHBondContact O-CA 3.46Å; W45-D49 WeakPolarHBondContact O-CB 3.28Å; W45-D49 PolarHBondContact O-N 2.94Å; D49-T51 VanDerWaalsContact C-N 3.25Å; D49-T51 VanDerWaalsContact CG-OG1 3.31Å; D49-T51 PolarHBondContact O-N 3.48Å; D49-T51 PolarHBondContact OD1-OG1 3.42Å; D49-T51 WeakPolarHBondContact OD2-CA 3.4Å; D49-T51 WeakPolarHBondContact OD2-CB 3.17Å; D49-T51 PolarHBondContact OD2-N 3.28Å; D49-T51 PolarHBondContact OD2-OG1 3.36Å; D49-F53 HydrophobicContact CB-CB 4.11Å; D49-F53 WeakPolarHBondContact OD2-CB 3.33Å; D49-F53 PolarHBondContact OD2-N 3.24Å | ||
| 50 | P | 62.6 | Low | 84.1 | Confident | 121 Ų | 121 | 74.7 Ų | 74.7 | 79% | 0.786 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -5.2 | -177.6 | 32.4 | -35.1 | 0 | 0 | 0 | 112.8 | V48 G52 | V48-P50 WeakPolarHBondContact O-CD 3.45Å; V48-P50 VanDerWaalsContact O-N 3.11Å; P50-G52 VanDerWaalsContact C-N 3.25Å; P50-G52 PolarHBondContact O-N 2.86Å |
| 51 | T | 75.4 | Confident | 83.3 | Confident | 114 Ų | 114 | 77.1 Ų | 77.1 | 70% | 0.699 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 8.1 | -175.3 | 73.2 | 0 | 0 | 0 | 0 | 113.7 | D49 | D49-T51 VanDerWaalsContact C-N 3.25Å; D49-T51 VanDerWaalsContact CG-OG1 3.31Å; D49-T51 PolarHBondContact O-N 3.48Å; D49-T51 PolarHBondContact OD1-OG1 3.42Å; D49-T51 WeakPolarHBondContact OD2-CA 3.4Å; D49-T51 WeakPolarHBondContact OD2-CB 3.17Å; D49-T51 PolarHBondContact OD2-N 3.28Å; D49-T51 PolarHBondContact OD2-OG1 3.36Å |
| 52 | G | 75.6 | Confident | 82.7 | Confident | 24 Ų | 24 | 82.3 Ų | 82.3 | 25% | 0.247 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | 4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | P50 R54 E55 I56 | P50-G52 VanDerWaalsContact C-N 3.25Å; P50-G52 PolarHBondContact O-N 2.86Å; G52-R54 PolarHBondContact O-N 3.21Å; G52-E55 WeakPolarHBondContact O-CB 3.46Å; G52-E55 PolarHBondContact O-N 3.12Å; G52-I56 PolarHBondContact O-N 2.91Å |
| 53 | F | 77.8 | Confident | 82.3 | Confident | 111 Ų | 111 | 84 Ų | 84 | 49% | 0.487 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.7 | -34 | 179.3 | -141.1 | -91.1 | 0 | 0 | 0 | 112.1 | D49 E55 I56 V57 | D49-F53 HydrophobicContact CB-CB 4.11Å; D49-F53 WeakPolarHBondContact OD2-CB 3.33Å; D49-F53 PolarHBondContact OD2-N 3.24Å; F53-E55 VanDerWaalsContact C-N 3.28Å; F53-E55 PolarHBondContact O-N 3Å; F53-I56 PolarHBondContact O-N 2.86Å; F53-V57 HydrophobicContact CD1-CG2 4.15Å; F53-V57 HydrophobicContact CE1-CG2 4.49Å; F53-V57 WeakPolarHBondContact O-CG2 3.49Å; F53-V57 PolarHBondContact O-N 3.16Å |
| 54 | R | 81.8 | Confident | 82 | Confident | 135 Ų | 135 | 86.8 Ų | 86.8 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -56.5 | -39.9 | 170.9 | -178.6 | -175 | 175.6 | -120.3 | -1.6 | 112.4 | L47 G52 V57 A58 | L47-R54 WeakPolarHBondContact O-CD 3.24Å; G52-R54 PolarHBondContact O-N 3.21Å; R54-V57 PolarHBondContact O-N 3.35Å; R54-A58 WeakPolarHBondContact O-CB 3.49Å; R54-A58 PolarHBondContact O-N 2.79Å |
| 55 | E | 82.4 | Confident | 81.8 | Confident | 148 Ų | 148 | 87 Ų | 87 | 69% | 0.692 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -69.2 | -39.2 | -178.4 | -60 | -170.4 | 166.5 | 0 | 0 | 111.3 | G52 F53 A58 A59 | G52-E55 WeakPolarHBondContact O-CB 3.46Å; G52-E55 PolarHBondContact O-N 3.12Å; F53-E55 VanDerWaalsContact C-N 3.28Å; F53-E55 PolarHBondContact O-N 3Å; E55-A58 PolarHBondContact O-N 3.41Å; E55-A59 PolarHBondContact O-N 3.05Å |
| 56 | I | 79.9 | Confident | 81.8 | Confident | 104 Ų | 104 | 79.7 Ų | 79.7 | 53% | 0.533 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64 | -43 | 175.3 | -59.8 | 170.2 | 0 | 0 | 0 | 110.8 | G52 F53 A59 N60 | G52-I56 PolarHBondContact O-N 2.91Å; F53-I56 PolarHBondContact O-N 2.86Å; I56-A59 PolarHBondContact O-N 3.36Å; I56-N60 PolarHBondContact O-ND2 3.16Å |
| 57 | V | 79.4 | Confident | 81.9 | Confident | 15 Ų | 15 | 79.1 Ų | 79.1 | 9% | 0.091 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -68.4 | -41.3 | 176.8 | 170.6 | 0 | 0 | 0 | 0 | 111 | V46 F53 R54 A59 N60 L63 V67 | V46-V57 HydrophobicContact CG1-CG2 4.13Å; F53-V57 HydrophobicContact CD1-CG2 4.15Å; F53-V57 HydrophobicContact CE1-CG2 4.49Å; F53-V57 WeakPolarHBondContact O-CG2 3.49Å; F53-V57 PolarHBondContact O-N 3.16Å; R54-V57 PolarHBondContact O-N 3.35Å; V57-A59 VanDerWaalsContact C-N 3.27Å; V57-A59 PolarHBondContact O-N 2.98Å; V57-N60 CarbonylContact O-C 3.54Å; V57-N60 PolarHBondContact O-N 2.91Å; V57-N60 VanDerWaalsContact O-N 3.12Å; V57-L63 HydrophobicContact CG1-CB 3.96Å; V57-V67 HydrophobicContact CG1-CG2 3.86Å |
| 58 | A | 79.9 | Confident | 82.2 | Confident | 50 Ų | 50 | 82.7 Ų | 82.7 | 41% | 0.413 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.1 | -26.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | R54 E55 N60 F64 | R54-A58 WeakPolarHBondContact O-CB 3.49Å; R54-A58 PolarHBondContact O-N 2.79Å; E55-A58 PolarHBondContact O-N 3.41Å; A58-N60 PolarHBondContact O-N 3.3Å; A58-F64 HydrophobicContact CB-CD2 4.12Å; A58-F64 HydrophobicContact CB-CE2 4.4Å |
| 59 | A | 84.2 | Confident | 82.5 | Confident | 76 Ų | 76 | 82 Ų | 82 | 63% | 0.628 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -21.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E55 I56 V57 | E55-A59 PolarHBondContact O-N 3.05Å; I56-A59 PolarHBondContact O-N 3.36Å; V57-A59 VanDerWaalsContact C-N 3.27Å; V57-A59 PolarHBondContact O-N 2.98Å |
| 60 | N | 80.9 | Confident | 82.9 | Confident | 79 Ų | 79 | 84 Ų | 84 | 42% | 0.422 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -114.2 | 106.1 | 179.4 | -68.1 | -78.7 | 0 | 0 | 0 | 109.8 | I56 V57 A58 L62 L63 F64 | I56-N60 PolarHBondContact O-ND2 3.16Å; V57-N60 CarbonylContact O-C 3.54Å; V57-N60 PolarHBondContact O-N 2.91Å; V57-N60 VanDerWaalsContact O-N 3.12Å; A58-N60 PolarHBondContact O-N 3.3Å; N60-L62 PolarHBondContact O-N 3.42Å; N60-L62 VanDerWaalsContact O-N 3.1Å; N60-L63 HydrophobicContact CB-CB 3.99Å; N60-L63 HydrophobicContact CB-CD1 3.8Å; N60-L63 HydrophobicContact CB-CG 3.77Å; N60-L63 PolarHBondContact O-N 3.01Å; N60-F64 PolarHBondContact O-N 3.01Å |
| 61 | P | 80 | Confident | 84.4 | Confident | 96 Ų | 96 | 79.8 Ų | 79.8 | 62% | 0.623 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -57.5 | -34.5 | -175.5 | 21.1 | -32.1 | 0 | 0 | 0 | 112.5 | F64 T65 | P61-F64 PolarHBondContact O-N 3Å; P61-T65 WeakPolarHBondContact O-CB 3.37Å; P61-T65 PolarHBondContact O-N 3.44Å; P61-T65 PolarHBondContact O-OG1 3.46Å; P61-T65 VanDerWaalsContact O-OG1 3.05Å |
| 62 | L | 81.6 | Confident | 85.4 | Confident | 151 Ų | 151 | 76.6 Ų | 76.6 | 79% | 0.791 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.7 | -44.1 | 175.4 | -65.3 | 175.6 | 0 | 0 | 0 | 112.9 | N60 G66 | N60-L62 PolarHBondContact O-N 3.42Å; N60-L62 VanDerWaalsContact O-N 3.1Å; L62-G66 PolarHBondContact O-N 3.18Å |
| 63 | L | 83.8 | Confident | 86.3 | Confident | 94 Ų | 94 | 80.2 Ų | 80.2 | 49% | 0.492 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -70.1 | -41.1 | 179.2 | -61.9 | -177.3 | 0 | 0 | 0 | 110.5 | V57 N60 G66 V67 | V57-L63 HydrophobicContact CG1-CB 3.96Å; N60-L63 HydrophobicContact CB-CB 3.99Å; N60-L63 HydrophobicContact CB-CD1 3.8Å; N60-L63 HydrophobicContact CB-CG 3.77Å; N60-L63 PolarHBondContact O-N 3.01Å; L63-G66 PolarHBondContact O-N 3.21Å; L63-G66 VanDerWaalsContact O-N 3.17Å; L63-V67 WeakPolarHBondContact O-CG2 3.45Å; L63-V67 PolarHBondContact O-N 2.92Å |
| 64 | F | 86.2 | Confident | 87.1 | Confident | 61 Ų | 61 | 74.9 Ų | 74.9 | 27% | 0.268 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.2 | -49.8 | 176.8 | -168.1 | -109.9 | 0 | 0 | 0 | 111.6 | A58 N60 P61 G66 V67 Y68 | A58-F64 HydrophobicContact CB-CD2 4.12Å; A58-F64 HydrophobicContact CB-CE2 4.4Å; N60-F64 PolarHBondContact O-N 3.01Å; P61-F64 PolarHBondContact O-N 3Å; F64-G66 VanDerWaalsContact C-N 3.29Å; F64-G66 PolarHBondContact O-N 2.89Å; F64-V67 PolarHBondContact O-N 3.47Å; F64-Y68 HydrophobicContact CD1-CD2 4.43Å; F64-Y68 AromaticContact CD1-CE2 3.99Å; F64-Y68 HydrophobicContact CD1-CE2 3.99Å; F64-Y68 HydrophobicContact CD2-CE2 4.38Å; F64-Y68 HydrophobicContact CE1-CD2 4.33Å; F64-Y68 AromaticContact CE1-CE2 3.51Å; F64-Y68 HydrophobicContact CE1-CE2 3.51Å; F64-Y68 AromaticContact CE2-CE2 3.94Å; F64-Y68 HydrophobicContact CE2-CE2 3.94Å; F64-Y68 HydrophobicContact CG-CE2 4.42Å; F64-Y68 AromaticContact CZ-CE2 3.48Å; F64-Y68 HydrophobicContact CZ-CE2 3.48Å; F64-Y68 VanDerWaalsContact CZ-CE2 3.48Å; F64-Y68 VanDerWaalsContact O-CD2 3.28Å; F64-Y68 WeakPolarHBondContact O-CD2 3.47Å |
| 65 | T | 88.8 | Confident | 87.8 | Confident | 77 Ų | 77 | 69.4 Ų | 69.4 | 47% | 0.472 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.8 | -40 | 173.3 | -61 | 0 | 0 | 0 | 0 | 111.6 | P61 V67 Y68 I69 | P61-T65 WeakPolarHBondContact O-CB 3.37Å; P61-T65 PolarHBondContact O-N 3.44Å; P61-T65 PolarHBondContact O-OG1 3.46Å; P61-T65 VanDerWaalsContact O-OG1 3.05Å; T65-V67 VanDerWaalsContact C-N 3.32Å; T65-V67 PolarHBondContact O-N 3.02Å; T65-Y68 PolarHBondContact O-N 3.1Å; T65-I69 HydrophobicContact CG2-CD1 3.9Å; T65-I69 HydrophobicContact CG2-CG1 4.37Å; T65-I69 WeakPolarHBondContact O-CG1 3.24Å; T65-I69 PolarHBondContact O-N 3.46Å |
| 66 | G | 90 | Very high | 88.5 | Confident | 24 Ų | 24 | 66.8 Ų | 66.8 | 25% | 0.247 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56.6 | -40.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L62 L63 F64 Y68 I69 I70 | L62-G66 PolarHBondContact O-N 3.18Å; L63-G66 PolarHBondContact O-N 3.21Å; L63-G66 VanDerWaalsContact O-N 3.17Å; F64-G66 VanDerWaalsContact C-N 3.29Å; F64-G66 PolarHBondContact O-N 2.89Å; G66-Y68 PolarHBondContact O-N 3.26Å; G66-I69 PolarHBondContact O-N 3.46Å; G66-I70 WeakPolarHBondContact O-CG1 3.42Å; G66-I70 PolarHBondContact O-N 3.27Å |
| 67 | V | 91.2 | Very high | 89.2 | Confident | 13 Ų | 13 | 64.9 Ų | 64.9 | 8% | 0.079 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 177.7 | 175.3 | 0 | 0 | 0 | 0 | 111.9 | V46 L47 V57 L63 F64 T65 I69 I70 L71 | V46-V67 HydrophobicContact CB-CG1 4.43Å; V46-V67 HydrophobicContact CB-CG2 4.41Å; V46-V67 HydrophobicContact CG1-CG1 4.29Å; V46-V67 HydrophobicContact CG1-CG2 3.64Å; L47-V67 HydrophobicContact CD1-CG1 4.47Å; L47-V67 HydrophobicContact CD2-CG1 3.73Å; L47-V67 HydrophobicContact CG-CG1 3.77Å; V57-V67 HydrophobicContact CG1-CG2 3.86Å; L63-V67 WeakPolarHBondContact O-CG2 3.45Å; L63-V67 PolarHBondContact O-N 2.92Å; F64-V67 PolarHBondContact O-N 3.47Å; T65-V67 VanDerWaalsContact C-N 3.32Å; T65-V67 PolarHBondContact O-N 3.02Å; V67-I69 VanDerWaalsContact C-N 3.34Å; V67-I70 PolarHBondContact O-N 3.49Å; V67-L71 HydrophobicContact CG1-CD1 4.23Å; V67-L71 WeakPolarHBondContact O-CG 3.41Å; V67-L71 PolarHBondContact O-N 2.88Å |
| 68 | Y | 92.1 | Very high | 90 | Very high | 120 Ų | 120 | 67.2 Ų | 67.2 | 47% | 0.471 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67 | -35.5 | 176.2 | -72.8 | -79.9 | 0 | 0 | 0 | 112.5 | L47 F64 T65 G66 L71 G72 | L47-Y68 HydrophobicContact CD1-CE1 4.48Å; F64-Y68 HydrophobicContact CD1-CD2 4.43Å; F64-Y68 AromaticContact CD1-CE2 3.99Å; F64-Y68 HydrophobicContact CD1-CE2 3.99Å; F64-Y68 HydrophobicContact CD2-CE2 4.38Å; F64-Y68 HydrophobicContact CE1-CD2 4.33Å; F64-Y68 AromaticContact CE1-CE2 3.51Å; F64-Y68 HydrophobicContact CE1-CE2 3.51Å; F64-Y68 AromaticContact CE2-CE2 3.94Å; F64-Y68 HydrophobicContact CE2-CE2 3.94Å; F64-Y68 HydrophobicContact CG-CE2 4.42Å; F64-Y68 AromaticContact CZ-CE2 3.48Å; F64-Y68 HydrophobicContact CZ-CE2 3.48Å; F64-Y68 VanDerWaalsContact CZ-CE2 3.48Å; F64-Y68 VanDerWaalsContact O-CD2 3.28Å; F64-Y68 WeakPolarHBondContact O-CD2 3.47Å; T65-Y68 PolarHBondContact O-N 3.1Å; G66-Y68 PolarHBondContact O-N 3.26Å; Y68-L71 PolarHBondContact O-N 2.91Å; Y68-G72 PolarHBondContact O-N 3.2Å |
| 69 | I | 94 | Very high | 90.8 | Very high | 92 Ų | 92 | 69.5 Ų | 69.5 | 47% | 0.472 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 173.4 | -68 | 170.5 | 0 | 0 | 0 | 110.2 | T65 G66 V67 L71 G72 M73 | T65-I69 HydrophobicContact CG2-CD1 3.9Å; T65-I69 HydrophobicContact CG2-CG1 4.37Å; T65-I69 WeakPolarHBondContact O-CG1 3.24Å; T65-I69 PolarHBondContact O-N 3.46Å; G66-I69 PolarHBondContact O-N 3.46Å; V67-I69 VanDerWaalsContact C-N 3.34Å; I69-L71 VanDerWaalsContact C-N 3.32Å; I69-L71 PolarHBondContact O-N 3.27Å; I69-G72 PolarHBondContact O-N 3.4Å; I69-M73 HydrophobicContact CG2-CE 3.84Å; I69-M73 HydrophobicContact CG2-CG 4.27Å; I69-M73 HydrophobicContact CG2-SD 4.08Å; I69-M73 WeakPolarHBondContact O-CB 3.49Å; I69-M73 WeakPolarHBondContact O-CG 3.41Å; I69-M73 PolarHBondContact O-N 3.08Å |
| 70 | I | 93.1 | Very high | 91.3 | Very high | 60 Ų | 60 | 66.6 Ų | 66.6 | 31% | 0.308 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 176.4 | -70.5 | 167.4 | 0 | 0 | 0 | 111 | L39 G66 V67 G74 | L39-I70 HydrophobicContact CB-CG2 4.26Å; L39-I70 HydrophobicContact CD2-CG2 4.3Å; G66-I70 WeakPolarHBondContact O-CG1 3.42Å; G66-I70 PolarHBondContact O-N 3.27Å; V67-I70 PolarHBondContact O-N 3.49Å; I70-G74 WeakPolarHBondContact O-CA 3.41Å; I70-G74 PolarHBondContact O-N 3.08Å |
| 71 | L | 94.8 | Very high | 92 | Very high | 31 Ų | 31 | 62.9 Ų | 62.9 | 16% | 0.162 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 176.3 | -78.4 | 168.4 | 0 | 0 | 0 | 112.5 | L40 V44 L47 V67 Y68 I69 G75 | L40-L71 HydrophobicContact CD2-CD2 4.04Å; L40-L71 WeakPolarHBondContact CD2-O 3.47Å; V44-L71 HydrophobicContact CG2-CD2 3.82Å; L47-L71 HydrophobicContact CD1-CD1 3.32Å; L47-L71 HydrophobicContact CG-CD1 4.12Å; V67-L71 HydrophobicContact CG1-CD1 4.23Å; V67-L71 WeakPolarHBondContact O-CG 3.41Å; V67-L71 PolarHBondContact O-N 2.88Å; Y68-L71 PolarHBondContact O-N 2.91Å; I69-L71 VanDerWaalsContact C-N 3.32Å; I69-L71 PolarHBondContact O-N 3.27Å; L71-G75 PolarHBondContact O-N 2.92Å |
| 72 | G | 95.2 | Very high | 92.6 | Very high | 48 Ų | 48 | 62.9 Ų | 62.9 | 50% | 0.495 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.6 | -51 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y68 I69 G75 M76 | Y68-G72 PolarHBondContact O-N 3.2Å; I69-G72 PolarHBondContact O-N 3.4Å; G72-G75 PolarHBondContact O-N 3.43Å; G72-M76 PolarHBondContact O-N 3.27Å |
| 73 | M | 94.6 | Very high | 93.2 | Very high | 99 Ų | 99 | 56.7 Ų | 56.7 | 49% | 0.488 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 177.3 | -67.2 | -168.4 | -50.5 | 0 | 0 | 111.6 | I69 G75 M76 L77 | I69-M73 HydrophobicContact CG2-CE 3.84Å; I69-M73 HydrophobicContact CG2-CG 4.27Å; I69-M73 HydrophobicContact CG2-SD 4.08Å; I69-M73 WeakPolarHBondContact O-CB 3.49Å; I69-M73 WeakPolarHBondContact O-CG 3.41Å; I69-M73 PolarHBondContact O-N 3.08Å; M73-G75 VanDerWaalsContact C-N 3.32Å; M73-G75 PolarHBondContact O-N 2.82Å; M73-M76 PolarHBondContact O-N 2.94Å; M73-L77 WeakPolarHBondContact O-CB 3.49Å; M73-L77 VanDerWaalsContact O-CG 3.3Å; M73-L77 WeakPolarHBondContact O-CG 3.3Å; M73-L77 PolarHBondContact O-N 3.41Å |
| 74 | G | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G36 I70 L77 F78 | G36-G74 WeakPolarHBondContact CA-O 3.21Å; I70-G74 WeakPolarHBondContact O-CA 3.41Å; I70-G74 PolarHBondContact O-N 3.08Å; G74-L77 PolarHBondContact O-N 3.21Å; G74-F78 VanDerWaalsContact O-CB 3.25Å; G74-F78 WeakPolarHBondContact O-CB 3.27Å; G74-F78 PolarHBondContact O-N 3.46Å |
| 75 | G | 96.4 | Very high | 93.9 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | L71 G72 M73 F78 L79 | L71-G75 PolarHBondContact O-N 2.92Å; G72-G75 PolarHBondContact O-N 3.43Å; M73-G75 VanDerWaalsContact C-N 3.32Å; M73-G75 PolarHBondContact O-N 2.82Å; G75-F78 PolarHBondContact O-N 2.89Å; G75-L79 WeakPolarHBondContact O-CG 3.26Å; G75-L79 PolarHBondContact O-N 3.46Å |
| 76 | M | 95.1 | Very high | 94 | Very high | 94 Ų | 94 | 47.1 Ų | 47.1 | 46% | 0.463 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.3 | -49.2 | 176 | -169.6 | -163.7 | -144.1 | 0 | 0 | 111.5 | G72 M73 F78 L79 L80 I106 | G72-M76 PolarHBondContact O-N 3.27Å; M73-M76 PolarHBondContact O-N 2.94Å; M76-F78 VanDerWaalsContact C-N 3.35Å; M76-F78 PolarHBondContact O-N 3.48Å; M76-L79 PolarHBondContact O-N 2.89Å; M76-L80 HydrophobicContact CG-CD1 4.1Å; M76-L80 WeakPolarHBondContact O-CB 3.4Å; M76-L80 VanDerWaalsContact O-CG 3.31Å; M76-L80 WeakPolarHBondContact O-CG 3.3Å; M76-L80 PolarHBondContact O-N 3.48Å; M76-I106 HydrophobicContact CE-CD1 3.42Å; M76-I106 VanDerWaalsContact CE-CD1 3.42Å; M76-I106 HydrophobicContact CE-CG1 3.46Å; M76-I106 VanDerWaalsContact CE-CG1 3.46Å; M76-I106 HydrophobicContact SD-CD1 4.24Å |
| 77 | L | 95.8 | Very high | 93.9 | Very high | 63 Ų | 63 | 46 Ų | 46 | 33% | 0.33 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.9 | -42 | 178 | -68.3 | 174.5 | 0 | 0 | 0 | 111.7 | I32 L39 M73 G74 L79 L80 G81 | I32-L77 HydrophobicContact CG2-CB 4.07Å; I32-L77 HydrophobicContact CG2-CD2 4.04Å; I32-L77 WeakPolarHBondContact CG2-O 3.49Å; L39-L77 HydrophobicContact CD1-CD1 4Å; M73-L77 WeakPolarHBondContact O-CB 3.49Å; M73-L77 VanDerWaalsContact O-CG 3.3Å; M73-L77 WeakPolarHBondContact O-CG 3.3Å; M73-L77 PolarHBondContact O-N 3.41Å; G74-L77 PolarHBondContact O-N 3.21Å; L77-L79 PolarHBondContact O-N 2.85Å; L77-L80 PolarHBondContact O-N 2.9Å; L77-G81 PolarHBondContact O-N 3.42Å |
| 78 | F | 96.8 | Very high | 93.8 | Very high | 65 Ų | 65 | 45.6 Ų | 45.6 | 29% | 0.285 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.6 | -48.8 | 174.8 | 176 | -90.6 | 0 | 0 | 0 | 111.7 | F33 S37 L40 G74 G75 M76 F82 | F33-F78 AromaticContact CD2-CD2 3.74Å; F33-F78 HydrophobicContact CD2-CD2 3.74Å; F33-F78 AromaticContact CD2-CE2 3.82Å; F33-F78 HydrophobicContact CD2-CE2 3.82Å; F33-F78 HydrophobicContact CD2-CG 4.37Å; F33-F78 HydrophobicContact CD2-CZ 4.46Å; F33-F78 AromaticContact CE2-CD2 3.47Å; F33-F78 HydrophobicContact CE2-CD2 3.47Å; F33-F78 VanDerWaalsContact CE2-CD2 3.47Å; F33-F78 HydrophobicContact CE2-CE1 4.35Å; F33-F78 AromaticContact CE2-CE2 3.04Å; F33-F78 HydrophobicContact CE2-CE2 3.04Å; F33-F78 HydrophobicContact CE2-CG 4.31Å; F33-F78 AromaticContact CE2-CZ 3.54Å; F33-F78 HydrophobicContact CE2-CZ 3.54Å; F33-F78 HydrophobicContact CZ-CD2 4.19Å; F33-F78 AromaticContact CZ-CE2 3.53Å; F33-F78 HydrophobicContact CZ-CE2 3.53Å; F33-F78 HydrophobicContact CZ-CZ 4.17Å; S37-F78 VanDerWaalsContact OG-CD2 3.26Å; S37-F78 WeakPolarHBondContact OG-CD2 3.42Å; S37-F78 WeakPolarHBondContact OG-CE2 3.43Å; L40-F78 HydrophobicContact CD1-CB 3.87Å; L40-F78 HydrophobicContact CD1-CD2 4.35Å; L40-F78 HydrophobicContact CD1-CG 4.06Å; G74-F78 VanDerWaalsContact O-CB 3.25Å; G74-F78 WeakPolarHBondContact O-CB 3.27Å; G74-F78 PolarHBondContact O-N 3.46Å; G75-F78 PolarHBondContact O-N 2.89Å; M76-F78 VanDerWaalsContact C-N 3.35Å; M76-F78 PolarHBondContact O-N 3.48Å; F78-F82 VanDerWaalsContact O-CB 3.23Å; F78-F82 WeakPolarHBondContact O-CB 3.43Å; F78-F82 PolarHBondContact O-N 2.87Å |
| 79 | L | 95.8 | Very high | 93.6 | Very high | 98 Ų | 98 | 44.5 Ų | 44.5 | 51% | 0.513 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.4 | -47.7 | 179.5 | -72.3 | 173.6 | 0 | 0 | 0 | 111.7 | G75 M76 L77 F82 L83 | G75-L79 WeakPolarHBondContact O-CG 3.26Å; G75-L79 PolarHBondContact O-N 3.46Å; M76-L79 PolarHBondContact O-N 2.89Å; L77-L79 PolarHBondContact O-N 2.85Å; L79-F82 PolarHBondContact O-N 3.28Å; L79-L83 WeakPolarHBondContact O-CB 3.39Å; L79-L83 WeakPolarHBondContact O-CD1 3.38Å; L79-L83 WeakPolarHBondContact O-CG 3.29Å; L79-L83 PolarHBondContact O-N 3.5Å |
| 80 | L | 95.3 | Very high | 93.3 | Very high | 15 Ų | 15 | 48.8 Ų | 48.8 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.4 | -48.9 | 178 | -70.7 | 173 | 0 | 0 | 0 | 111.4 | M76 L77 F82 L83 G84 L102 I103 I106 | M76-L80 HydrophobicContact CG-CD1 4.1Å; M76-L80 WeakPolarHBondContact O-CB 3.4Å; M76-L80 VanDerWaalsContact O-CG 3.31Å; M76-L80 WeakPolarHBondContact O-CG 3.3Å; M76-L80 PolarHBondContact O-N 3.48Å; L77-L80 PolarHBondContact O-N 2.9Å; L80-F82 PolarHBondContact O-N 3.03Å; L80-L83 PolarHBondContact O-N 3.36Å; L80-G84 PolarHBondContact O-N 3.5Å; L80-L102 HydrophobicContact CD2-CB 3.77Å; L80-L102 HydrophobicContact CD2-CD1 4.01Å; L80-I103 HydrophobicContact CD1-CD1 4.17Å; L80-I103 HydrophobicContact CD2-CD1 3.86Å; L80-I103 HydrophobicContact CD2-CG1 4.47Å; L80-I106 HydrophobicContact CD1-CD1 3.61Å; L80-I106 HydrophobicContact CD2-CD1 4.22Å; L80-I106 HydrophobicContact CG-CD1 4.49Å |
| 81 | G | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N29 L77 C85 | N29-G81 VanDerWaalsContact O-CA 3.28Å; N29-G81 WeakPolarHBondContact O-CA 3.34Å; L77-G81 PolarHBondContact O-N 3.42Å; G81-C85 VanDerWaalsContact O-CB 3.3Å; G81-C85 WeakPolarHBondContact O-CB 3.12Å; G81-C85 PolarHBondContact O-N 3.48Å; G81-C85 PolarHBondContact O-SG 2.84Å |
| 82 | F | 93.9 | Very high | 92.8 | Very high | 97 Ų | 97 | 52.1 Ų | 52.1 | 43% | 0.425 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 177 | 178.3 | -101.2 | 0 | 0 | 0 | 112.2 | F33 F78 L79 L80 C85 C86 | F33-F82 HydrophobicContact CD2-CB 3.98Å; F33-F82 HydrophobicContact CE2-CB 4.17Å; F33-F82 HydrophobicContact CE2-CD2 4.23Å; F78-F82 VanDerWaalsContact O-CB 3.23Å; F78-F82 WeakPolarHBondContact O-CB 3.43Å; F78-F82 PolarHBondContact O-N 2.87Å; L79-F82 PolarHBondContact O-N 3.28Å; L80-F82 PolarHBondContact O-N 3.03Å; F82-C85 PolarHBondContact O-N 3.26Å; F82-C86 VanDerWaalsContact CE2-SG 3.54Å; F82-C86 VanDerWaalsContact CZ-SG 3.59Å; F82-C86 VanDerWaalsContact O-CB 3.29Å; F82-C86 WeakPolarHBondContact O-CB 3.49Å; F82-C86 PolarHBondContact O-N 3.38Å; F82-C86 PolarHBondContact O-SG 3.02Å |
| 83 | L | 93.7 | Very high | 92.5 | Very high | 20 Ų | 20 | 53.2 Ų | 53.2 | 11% | 0.105 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.2 | -42.7 | 179.6 | -69.3 | 165.1 | 0 | 0 | 0 | 111.7 | L79 L80 G87 L95 F98 F99 L102 | L79-L83 WeakPolarHBondContact O-CB 3.39Å; L79-L83 WeakPolarHBondContact O-CD1 3.38Å; L79-L83 WeakPolarHBondContact O-CG 3.29Å; L79-L83 PolarHBondContact O-N 3.5Å; L80-L83 PolarHBondContact O-N 3.36Å; L83-G87 WeakPolarHBondContact O-CA 3.23Å; L83-G87 PolarHBondContact O-N 2.92Å; L83-L95 HydrophobicContact CD2-CD2 4.02Å; L83-F98 HydrophobicContact CD1-CD1 3.54Å; L83-F98 HydrophobicContact CD1-CE1 3.6Å; L83-F98 HydrophobicContact CD2-CD1 4.02Å; L83-F98 HydrophobicContact CD2-CE1 4.5Å; L83-F98 HydrophobicContact CG-CD1 4.38Å; L83-F99 HydrophobicContact CB-CB 4.39Å; L83-L102 HydrophobicContact CD1-CD1 3.66Å |
| 84 | G | 92.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L80 A88 | L80-G84 PolarHBondContact O-N 3.5Å; G84-A88 VanDerWaalsContact O-CB 3.29Å; G84-A88 WeakPolarHBondContact O-CB 3.44Å; G84-A88 PolarHBondContact O-N 2.85Å |
| 85 | C | 91.8 | Very high | 92.2 | Very high | 11 Ų | 11 | 55.2 Ų | 55.2 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63 | -50.2 | 176.2 | -71.7 | 0 | 0 | 0 | 0 | 112.4 | F26 F30 G81 F82 A88 I89 | F26-C85 HydrophobicContact CD2-CB 3.95Å; F26-C85 HydrophobicContact CE2-CB 3.95Å; F30-C85 WeakPolarHBondContact CA-SG 3.29Å; F30-C85 PolarHBondContact N-SG 2.92Å; G81-C85 VanDerWaalsContact O-CB 3.3Å; G81-C85 WeakPolarHBondContact O-CB 3.12Å; G81-C85 PolarHBondContact O-N 3.48Å; G81-C85 PolarHBondContact O-SG 2.84Å; F82-C85 PolarHBondContact O-N 3.26Å; C85-A88 PolarHBondContact O-N 3.43Å; C85-I89 PolarHBondContact O-N 3.46Å |
| 86 | C | 90.9 | Very high | 92 | Very high | 21 Ų | 21 | 54.4 Ų | 54.4 | 14% | 0.142 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.1 | -38.8 | -177.9 | -69.3 | 0 | 0 | 0 | 0 | 111.7 | F82 R90 L95 | F82-C86 VanDerWaalsContact CE2-SG 3.54Å; F82-C86 VanDerWaalsContact CZ-SG 3.59Å; F82-C86 VanDerWaalsContact O-CB 3.29Å; F82-C86 WeakPolarHBondContact O-CB 3.49Å; F82-C86 PolarHBondContact O-N 3.38Å; F82-C86 PolarHBondContact O-SG 3.02Å; C86-R90 WeakPolarHBondContact O-CB 3.42Å; C86-R90 WeakPolarHBondContact O-CG 3.49Å; C86-R90 PolarHBondContact O-N 2.94Å; C86-L95 HydrophobicContact CB-CD1 4.05Å |
| 87 | G | 88.8 | Confident | 91.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L83 E91 N92 | L83-G87 WeakPolarHBondContact O-CA 3.23Å; L83-G87 PolarHBondContact O-N 2.92Å; G87-E91 PolarHBondContact O-N 3.4Å; G87-N92 PolarHBondContact O-N 3.38Å |
| 88 | A | 88.8 | Confident | 91.8 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 3% | 0.033 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.2 | -50.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K22 M25 G84 C85 | K22-A88 WeakPolarHBondContact CE-O 3.46Å; M25-A88 HydrophobicContact CG-CB 4.47Å; G84-A88 VanDerWaalsContact O-CB 3.29Å; G84-A88 WeakPolarHBondContact O-CB 3.44Å; G84-A88 PolarHBondContact O-N 2.85Å; C85-A88 PolarHBondContact O-N 3.43Å |
| 89 | I | 88 | Confident | 91.7 | Very high | 97 Ų | 97 | 53.2 Ų | 53.2 | 50% | 0.497 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69 | -48.8 | -176.7 | -70.8 | 172.2 | 0 | 0 | 0 | 112 | F26 C85 E91 | F26-I89 HydrophobicContact CD2-CD1 3.4Å; F26-I89 VanDerWaalsContact CD2-CD1 3.4Å; F26-I89 HydrophobicContact CD2-CG1 3.7Å; F26-I89 HydrophobicContact CE1-CD1 4.5Å; F26-I89 HydrophobicContact CE2-CD1 3.12Å; F26-I89 HydrophobicContact CE2-CG1 3.98Å; F26-I89 HydrophobicContact CG-CD1 4.23Å; F26-I89 HydrophobicContact CG-CG1 4.28Å; F26-I89 HydrophobicContact CZ-CD1 3.73Å; C85-I89 PolarHBondContact O-N 3.46Å; I89-E91 PolarHBondContact O-N 2.92Å |
| 90 | R | 87.5 | Confident | 91.7 | Very high | 183 Ų | 183 | 50.4 Ų | 50.4 | 69% | 0.691 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -2.6 | -173.8 | -60 | -173.7 | 174.5 | -168.9 | -1 | 112.9 | C86 N92 | C86-R90 WeakPolarHBondContact O-CB 3.42Å; C86-R90 WeakPolarHBondContact O-CG 3.49Å; C86-R90 PolarHBondContact O-N 2.94Å; R90-N92 HydrophobicContact CB-CB 4.32Å; R90-N92 PolarHBondContact O-N 3.27Å |
| 91 | E | 86.9 | Confident | 91.7 | Very high | 98 Ų | 98 | 54.4 Ų | 54.4 | 46% | 0.458 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50 | 36 | -177 | -67.5 | 179.2 | 174.3 | 0 | 0 | 111.7 | K22 G87 I89 K93 I256 | K22-E91 IonicContact NZ-OE1 2.65Å; K22-E91 PolarHBondContact NZ-OE1 3.23Å; G87-E91 PolarHBondContact O-N 3.4Å; I89-E91 PolarHBondContact O-N 2.92Å; E91-K93 PolarHBondContact O-N 2.91Å; E91-I256 HydrophobicContact CB-CD1 4.03Å; E91-I256 HydrophobicContact CB-CG1 3.95Å; E91-I256 HydrophobicContact CB-CG2 4.16Å; E91-I256 HydrophobicContact CG-CG1 4.24Å; E91-I256 WeakPolarHBondContact O-CG2 3.45Å |
| 92 | N | 89.8 | Confident | 91.8 | Very high | 63 Ų | 63 | 56.8 Ų | 56.8 | 34% | 0.337 | 28% | 0.277 | S | S | . | . | trans | -91.4 | 106 | -175.8 | -175.2 | -33.1 | 0 | 0 | 0 | 109.6 | G87 R90 C94 L95 L96 | G87-N92 PolarHBondContact O-N 3.38Å; R90-N92 HydrophobicContact CB-CB 4.32Å; R90-N92 PolarHBondContact O-N 3.27Å; N92-C94 PolarHBondContact O-N 2.93Å; N92-C94 WeakPolarHBondContact OD1-CB 3.31Å; N92-C94 PolarHBondContact OD1-N 3.03Å; N92-L95 HydrophobicContact CB-CB 4.15Å; N92-L95 HydrophobicContact CB-CD1 3.94Å; N92-L95 HydrophobicContact CB-CG 4.09Å; N92-L95 PolarHBondContact O-N 3.42Å; N92-L95 VanDerWaalsContact O-N 3.1Å; N92-L95 PolarHBondContact OD1-N 3.29Å; N92-L96 PolarHBondContact O-N 3.44Å | ||
| 93 | K | 89.8 | Confident | 91.9 | Very high | 70 Ų | 70 | 52.8 Ų | 52.8 | 30% | 0.304 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -50.8 | -40.3 | 178.3 | -70.5 | -178.6 | 180 | 168.7 | 0 | 113.1 | E91 L96 L97 F253 I256 Q257 | E91-K93 PolarHBondContact O-N 2.91Å; K93-L96 PolarHBondContact O-N 3.49Å; K93-L97 VanDerWaalsContact O-CB 3.3Å; K93-L97 WeakPolarHBondContact O-CB 3.18Å; K93-L97 PolarHBondContact O-N 3.39Å; K93-F253 HydrophobicContact CB-CD2 3.99Å; K93-F253 HydrophobicContact CB-CE2 3.64Å; K93-F253 HydrophobicContact CB-CZ 4.43Å; K93-F253 HydrophobicContact CG-CD2 4.22Å; K93-F253 HydrophobicContact CG-CE2 4.13Å; K93-F253 WeakPolarHBondContact O-CE2 3.33Å; K93-I256 HydrophobicContact CD-CG2 4.48Å; K93-I256 WeakPolarHBondContact CE-O 3.39Å; K93-I256 HydrophobicContact CG-CB 4.33Å; K93-I256 HydrophobicContact CG-CD1 4.47Å; K93-I256 HydrophobicContact CG-CG2 4.15Å; K93-I256 PolarHBondContact NZ-O 3.02Å; K93-Q257 PolarHBondContact NZ-OXT 2.93Å |
| 94 | C | 91.6 | Very high | 92 | Very high | 96 Ų | 96 | 54.2 Ų | 54.2 | 65% | 0.649 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -68.6 | -42 | -179.8 | -62.1 | 0 | 0 | 0 | 0 | 112.2 | N92 L96 L97 F98 | N92-C94 PolarHBondContact O-N 2.93Å; N92-C94 WeakPolarHBondContact OD1-CB 3.31Å; N92-C94 PolarHBondContact OD1-N 3.03Å; C94-L96 VanDerWaalsContact C-N 3.35Å; C94-L97 PolarHBondContact O-N 3.34Å; C94-F98 WeakPolarHBondContact O-CB 3.49Å; C94-F98 PolarHBondContact O-N 3.33Å |
| 95 | L | 92.6 | Very high | 92.3 | Very high | 45 Ų | 45 | 59.9 Ų | 59.9 | 24% | 0.236 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.1 | -40 | 176.9 | -70.4 | 178 | 0 | 0 | 0 | 111.4 | L83 C86 N92 F98 F99 | L83-L95 HydrophobicContact CD2-CD2 4.02Å; C86-L95 HydrophobicContact CB-CD1 4.05Å; N92-L95 HydrophobicContact CB-CB 4.15Å; N92-L95 HydrophobicContact CB-CD1 3.94Å; N92-L95 HydrophobicContact CB-CG 4.09Å; N92-L95 PolarHBondContact O-N 3.42Å; N92-L95 VanDerWaalsContact O-N 3.1Å; N92-L95 PolarHBondContact OD1-N 3.29Å; L95-F98 PolarHBondContact O-N 2.99Å; L95-F99 WeakPolarHBondContact O-CB 3.46Å; L95-F99 PolarHBondContact O-N 3.31Å |
| 96 | L | 91.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.4 | -38.5 | 178.6 | -162.7 | 66.3 | 0 | 0 | 0 | 112.1 | M25 N92 K93 C94 F99 F100 A249 L252 F253 I256 | M25-L96 HydrophobicContact CE-CD1 3.55Å; M25-L96 HydrophobicContact SD-CD1 4.21Å; N92-L96 PolarHBondContact O-N 3.44Å; K93-L96 PolarHBondContact O-N 3.49Å; C94-L96 VanDerWaalsContact C-N 3.35Å; L96-F99 PolarHBondContact O-N 3.28Å; L96-F100 WeakPolarHBondContact O-CB 3.19Å; L96-F100 PolarHBondContact O-N 2.91Å; L96-A249 HydrophobicContact CD1-CB 4.15Å; L96-A249 VanDerWaalsContact CD2-O 3.24Å; L96-A249 WeakPolarHBondContact CD2-O 3.37Å; L96-A249 HydrophobicContact CG-CB 4.28Å; L96-L252 HydrophobicContact CD2-CB 3.72Å; L96-F253 HydrophobicContact CD2-CB 3.82Å; L96-F253 VanDerWaalsContact CD2-N 3.27Å; L96-I256 HydrophobicContact CD2-CD1 4.1Å |
| 97 | L | 93.1 | Very high | 92.7 | Very high | 80 Ų | 80 | 61.9 Ų | 61.9 | 42% | 0.419 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 172.6 | -175.6 | 67.6 | 0 | 0 | 0 | 111.3 | K93 C94 F100 M101 F253 | K93-L97 VanDerWaalsContact O-CB 3.3Å; K93-L97 WeakPolarHBondContact O-CB 3.18Å; K93-L97 PolarHBondContact O-N 3.39Å; C94-L97 PolarHBondContact O-N 3.34Å; L97-F100 PolarHBondContact O-N 3.5Å; L97-M101 HydrophobicContact CG-CG 4.49Å; L97-M101 VanDerWaalsContact O-CG 3.3Å; L97-M101 WeakPolarHBondContact O-CG 3.39Å; L97-M101 PolarHBondContact O-N 3.41Å; L97-F253 HydrophobicContact CB-CE2 4.25Å |
| 98 | F | 94.6 | Very high | 93.1 | Very high | 114 Ų | 114 | 66.4 Ų | 66.4 | 50% | 0.5 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 176.8 | -170.8 | -108.1 | 0 | 0 | 0 | 111.7 | L83 C94 L95 F100 M101 L102 | L83-F98 HydrophobicContact CD1-CD1 3.54Å; L83-F98 HydrophobicContact CD1-CE1 3.6Å; L83-F98 HydrophobicContact CD2-CD1 4.02Å; L83-F98 HydrophobicContact CD2-CE1 4.5Å; L83-F98 HydrophobicContact CG-CD1 4.38Å; C94-F98 WeakPolarHBondContact O-CB 3.49Å; C94-F98 PolarHBondContact O-N 3.33Å; L95-F98 PolarHBondContact O-N 2.99Å; F98-F100 PolarHBondContact O-N 2.88Å; F98-M101 PolarHBondContact O-N 3.36Å; F98-L102 HydrophobicContact CD1-CD1 3.92Å; F98-L102 HydrophobicContact CD1-CG 4.39Å; F98-L102 HydrophobicContact CE1-CD1 3.51Å; F98-L102 HydrophobicContact CE1-CG 4.09Å; F98-L102 HydrophobicContact CZ-CD1 4.04Å; F98-L102 HydrophobicContact CZ-CD2 4.24Å; F98-L102 HydrophobicContact CZ-CG 4.22Å; F98-L102 WeakPolarHBondContact O-CG 3.41Å; F98-L102 PolarHBondContact O-N 2.95Å |
| 99 | F | 94.5 | Very high | 93.5 | Very high | 3 Ų | 3 | 69 Ų | 69 | 1% | 0.013 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.2 | -49.4 | 171.4 | 173.1 | -99.2 | 0 | 0 | 0 | 111.5 | M25 N29 L83 L95 L96 M101 L102 I103 A245 A249 | M25-F99 HydrophobicContact CE-CD1 3.67Å; M25-F99 HydrophobicContact CE-CE1 3.49Å; M25-F99 VanDerWaalsContact CE-CE1 3.49Å; M25-F99 HydrophobicContact CE-CG 4.45Å; M25-F99 HydrophobicContact CE-CZ 4.15Å; N29-F99 WeakPolarHBondContact OD1-CE2 3.21Å; L83-F99 HydrophobicContact CB-CB 4.39Å; L95-F99 WeakPolarHBondContact O-CB 3.46Å; L95-F99 PolarHBondContact O-N 3.31Å; L96-F99 PolarHBondContact O-N 3.28Å; F99-M101 PolarHBondContact O-N 3.47Å; F99-L102 PolarHBondContact O-N 2.94Å; F99-I103 HydrophobicContact CD2-CG1 4.39Å; F99-I103 HydrophobicContact CE1-CG1 4.1Å; F99-I103 HydrophobicContact CE2-CD1 4.14Å; F99-I103 HydrophobicContact CE2-CG1 3.98Å; F99-I103 HydrophobicContact CZ-CD1 4.19Å; F99-I103 HydrophobicContact CZ-CG1 3.82Å; F99-I103 WeakPolarHBondContact O-CG1 3.38Å; F99-I103 PolarHBondContact O-N 2.9Å; F99-A245 HydrophobicContact CE1-CB 4.43Å; F99-A245 HydrophobicContact CZ-CB 4.37Å; F99-A249 HydrophobicContact CD1-CB 4.04Å; F99-A249 HydrophobicContact CE1-CB 4.24Å |
| 100 | F | 95.4 | Very high | 93.8 | Very high | 39 Ų | 39 | 67.2 Ų | 67.2 | 17% | 0.171 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.9 | -47 | 176.9 | 173.8 | -89.9 | 0 | 0 | 0 | 112.4 | L96 L97 F98 L102 I103 L104 M246 A249 M250 | L96-F100 WeakPolarHBondContact O-CB 3.19Å; L96-F100 PolarHBondContact O-N 2.91Å; L97-F100 PolarHBondContact O-N 3.5Å; F98-F100 PolarHBondContact O-N 2.88Å; F100-L102 VanDerWaalsContact C-N 3.32Å; F100-L102 PolarHBondContact O-N 3.21Å; F100-I103 PolarHBondContact O-N 3.45Å; F100-L104 HydrophobicContact CE1-CD2 4.06Å; F100-L104 WeakPolarHBondContact O-CB 3.27Å; F100-L104 PolarHBondContact O-N 2.89Å; F100-M246 HydrophobicContact CD2-CB 3.99Å; F100-M246 HydrophobicContact CD2-CG 3.97Å; F100-M246 HydrophobicContact CE2-CB 3.76Å; F100-M246 HydrophobicContact CE2-CG 3.89Å; F100-M246 HydrophobicContact CE2-SD 4.23Å; F100-A249 HydrophobicContact CB-CB 4.35Å; F100-M250 HydrophobicContact CD2-CG 3.76Å; F100-M250 HydrophobicContact CD2-SD 4.13Å; F100-M250 HydrophobicContact CE2-CG 3.56Å; F100-M250 HydrophobicContact CE2-SD 4.1Å; F100-M250 HydrophobicContact CG-SD 4.41Å; F100-M250 HydrophobicContact CZ-CG 4.27Å; F100-M250 HydrophobicContact CZ-SD 4.37Å |
| 101 | M | 96.3 | Very high | 94.1 | Very high | 100 Ų | 100 | 62.2 Ų | 62.2 | 49% | 0.493 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.8 | -37 | -179.7 | -71.1 | -57.8 | -62.3 | 0 | 0 | 112.3 | L97 F98 F99 L104 L105 | L97-M101 HydrophobicContact CG-CG 4.49Å; L97-M101 VanDerWaalsContact O-CG 3.3Å; L97-M101 WeakPolarHBondContact O-CG 3.39Å; L97-M101 PolarHBondContact O-N 3.41Å; F98-M101 PolarHBondContact O-N 3.36Å; F99-M101 PolarHBondContact O-N 3.47Å; M101-L104 HydrophobicContact SD-CD2 4.48Å; M101-L105 WeakPolarHBondContact O-CB 3.41Å; M101-L105 PolarHBondContact O-N 3.44Å |
| 102 | L | 95.8 | Very high | 94.6 | Very high | 49 Ų | 49 | 59.8 Ų | 59.8 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.2 | -48.9 | 174.9 | -71.9 | 179.2 | 0 | 0 | 0 | 111.5 | L80 L83 F98 F99 F100 L104 L105 I106 | L80-L102 HydrophobicContact CD2-CB 3.77Å; L80-L102 HydrophobicContact CD2-CD1 4.01Å; L83-L102 HydrophobicContact CD1-CD1 3.66Å; F98-L102 HydrophobicContact CD1-CD1 3.92Å; F98-L102 HydrophobicContact CD1-CG 4.39Å; F98-L102 HydrophobicContact CE1-CD1 3.51Å; F98-L102 HydrophobicContact CE1-CG 4.09Å; F98-L102 HydrophobicContact CZ-CD1 4.04Å; F98-L102 HydrophobicContact CZ-CD2 4.24Å; F98-L102 HydrophobicContact CZ-CG 4.22Å; F98-L102 WeakPolarHBondContact O-CG 3.41Å; F98-L102 PolarHBondContact O-N 2.95Å; F99-L102 PolarHBondContact O-N 2.94Å; F100-L102 VanDerWaalsContact C-N 3.32Å; F100-L102 PolarHBondContact O-N 3.21Å; L102-L104 VanDerWaalsContact C-N 3.29Å; L102-L104 PolarHBondContact O-N 2.87Å; L102-L105 WeakPolarHBondContact O-CB 3.38Å; L102-L105 PolarHBondContact O-N 3.42Å; L102-L105 VanDerWaalsContact O-N 3.16Å; L102-I106 VanDerWaalsContact O-CG1 3.28Å; L102-I106 WeakPolarHBondContact O-CG1 3.45Å; L102-I106 PolarHBondContact O-N 2.87Å |
| 103 | I | 96.2 | Very high | 94.8 | Very high | 13 Ų | 13 | 59.5 Ų | 59.5 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 177.4 | -61.6 | -63.4 | 0 | 0 | 0 | 110.8 | L80 F99 F100 L105 I106 F107 E242 M246 | L80-I103 HydrophobicContact CD1-CD1 4.17Å; L80-I103 HydrophobicContact CD2-CD1 3.86Å; L80-I103 HydrophobicContact CD2-CG1 4.47Å; F99-I103 HydrophobicContact CD2-CG1 4.39Å; F99-I103 HydrophobicContact CE1-CG1 4.1Å; F99-I103 HydrophobicContact CE2-CD1 4.14Å; F99-I103 HydrophobicContact CE2-CG1 3.98Å; F99-I103 HydrophobicContact CZ-CD1 4.19Å; F99-I103 HydrophobicContact CZ-CG1 3.82Å; F99-I103 WeakPolarHBondContact O-CG1 3.38Å; F99-I103 PolarHBondContact O-N 2.9Å; F100-I103 PolarHBondContact O-N 3.45Å; I103-L105 VanDerWaalsContact C-N 3.33Å; I103-L105 PolarHBondContact O-N 3.46Å; I103-I106 HydrophobicContact CD1-CD1 4.44Å; I103-I106 PolarHBondContact O-N 2.87Å; I103-F107 WeakPolarHBondContact O-CB 3.36Å; I103-F107 PolarHBondContact O-N 3.16Å; I103-E242 HydrophobicContact CG2-CB 3.85Å; I103-E242 HydrophobicContact CG2-CG 4.12Å; I103-M246 HydrophobicContact CB-CG 4.21Å; I103-M246 HydrophobicContact CG2-CG 3.67Å; I103-M246 HydrophobicContact CG2-SD 4.29Å |
| 104 | L | 96.8 | Very high | 94.9 | Very high | 51 Ų | 51 | 58.8 Ų | 58.8 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 175.7 | 179.6 | 63.9 | 0 | 0 | 0 | 112.1 | F100 M101 L102 I106 F107 L108 M246 | F100-L104 HydrophobicContact CE1-CD2 4.06Å; F100-L104 WeakPolarHBondContact O-CB 3.27Å; F100-L104 PolarHBondContact O-N 2.89Å; M101-L104 HydrophobicContact SD-CD2 4.48Å; L102-L104 VanDerWaalsContact C-N 3.29Å; L102-L104 PolarHBondContact O-N 2.87Å; L104-I106 VanDerWaalsContact C-N 3.33Å; L104-F107 PolarHBondContact O-N 2.91Å; L104-L108 HydrophobicContact CD1-CD1 4.49Å; L104-L108 HydrophobicContact CD1-CG 4.45Å; L104-L108 HydrophobicContact CG-CD1 4.34Å; L104-L108 VanDerWaalsContact O-CG 3.29Å; L104-L108 WeakPolarHBondContact O-CG 3.07Å; L104-L108 PolarHBondContact O-N 3.35Å; L104-M246 HydrophobicContact CB-SD 4.07Å; L104-M246 HydrophobicContact CD1-SD 3.99Å |
| 105 | L | 96.8 | Very high | 95 | Very high | 118 Ų | 118 | 58.5 Ų | 58.5 | 62% | 0.618 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.9 | -41.8 | 176.8 | -173.6 | 76.6 | 0 | 0 | 0 | 111.3 | M101 L102 I103 L108 A109 | M101-L105 WeakPolarHBondContact O-CB 3.41Å; M101-L105 PolarHBondContact O-N 3.44Å; L102-L105 WeakPolarHBondContact O-CB 3.38Å; L102-L105 PolarHBondContact O-N 3.42Å; L102-L105 VanDerWaalsContact O-N 3.16Å; I103-L105 VanDerWaalsContact C-N 3.33Å; I103-L105 PolarHBondContact O-N 3.46Å; L105-L108 PolarHBondContact O-N 3.5Å; L105-A109 WeakPolarHBondContact O-CB 3.46Å; L105-A109 PolarHBondContact O-N 2.91Å |
| 106 | I | 95.8 | Very high | 95 | Very high | 24 Ų | 24 | 60.7 Ų | 60.7 | 12% | 0.123 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.5 | -49.4 | 178.1 | -60.4 | 166.1 | 0 | 0 | 0 | 109.8 | M76 L80 L102 I103 L104 L108 A109 E110 E242 | M76-I106 HydrophobicContact CE-CD1 3.42Å; M76-I106 VanDerWaalsContact CE-CD1 3.42Å; M76-I106 HydrophobicContact CE-CG1 3.46Å; M76-I106 VanDerWaalsContact CE-CG1 3.46Å; M76-I106 HydrophobicContact SD-CD1 4.24Å; L80-I106 HydrophobicContact CD1-CD1 3.61Å; L80-I106 HydrophobicContact CD2-CD1 4.22Å; L80-I106 HydrophobicContact CG-CD1 4.49Å; L102-I106 VanDerWaalsContact O-CG1 3.28Å; L102-I106 WeakPolarHBondContact O-CG1 3.45Å; L102-I106 PolarHBondContact O-N 2.87Å; I103-I106 HydrophobicContact CD1-CD1 4.44Å; I103-I106 PolarHBondContact O-N 2.87Å; L104-I106 VanDerWaalsContact C-N 3.33Å; I106-L108 VanDerWaalsContact C-N 3.28Å; I106-L108 PolarHBondContact O-N 2.82Å; I106-A109 CarbonylContact O-C 3.42Å; I106-A109 WeakPolarHBondContact O-CA 3.41Å; I106-A109 WeakPolarHBondContact O-CB 3.39Å; I106-A109 PolarHBondContact O-N 3.26Å; I106-E110 HydrophobicContact CG2-CG 4.22Å; I106-E110 WeakPolarHBondContact O-CG 3.3Å; I106-E110 PolarHBondContact O-N 3.37Å; I106-E242 WeakPolarHBondContact CG2-OE1 3.37Å |
| 107 | F | 96.7 | Very high | 94.9 | Very high | 51 Ų | 51 | 63.8 Ų | 63.8 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -54.2 | -44.3 | 177 | -179.2 | -93.6 | 0 | 0 | 0 | 112.4 | I103 L104 E110 L111 L239 E242 M246 | I103-F107 WeakPolarHBondContact O-CB 3.36Å; I103-F107 PolarHBondContact O-N 3.16Å; L104-F107 PolarHBondContact O-N 2.91Å; F107-E110 PolarHBondContact O-N 2.87Å; F107-L111 WeakPolarHBondContact O-CB 3.38Å; F107-L111 PolarHBondContact O-N 2.81Å; F107-L239 HydrophobicContact CD2-CD2 3.64Å; F107-L239 HydrophobicContact CE2-CB 4.43Å; F107-L239 HydrophobicContact CE2-CD2 3.64Å; F107-E242 VanDerWaalsContact CA-OE2 3.25Å; F107-E242 WeakPolarHBondContact CA-OE2 3.07Å; F107-E242 WeakPolarHBondContact CB-OE2 3.38Å; F107-E242 HydrophobicContact CD2-CB 4.4Å; F107-E242 PolarHBondContact N-OE2 2.86Å; F107-M246 HydrophobicContact CB-CE 4.19Å; F107-M246 HydrophobicContact CD1-CE 4.48Å; F107-M246 HydrophobicContact CD2-CE 4.11Å; F107-M246 HydrophobicContact CG-CE 4Å |
| 108 | L | 97.3 | Very high | 94.7 | Very high | 94 Ų | 94 | 66.4 Ų | 66.4 | 49% | 0.492 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.9 | -38 | 176.5 | -69.5 | 175.3 | 0 | 0 | 0 | 112.3 | L104 L105 I106 A112 | L104-L108 HydrophobicContact CD1-CD1 4.49Å; L104-L108 HydrophobicContact CD1-CG 4.45Å; L104-L108 HydrophobicContact CG-CD1 4.34Å; L104-L108 VanDerWaalsContact O-CG 3.29Å; L104-L108 WeakPolarHBondContact O-CG 3.07Å; L104-L108 PolarHBondContact O-N 3.35Å; L105-L108 PolarHBondContact O-N 3.5Å; I106-L108 VanDerWaalsContact C-N 3.28Å; I106-L108 PolarHBondContact O-N 2.82Å; L108-A112 WeakPolarHBondContact O-CB 3.25Å; L108-A112 PolarHBondContact O-N 3.33Å |
| 109 | A | 96.1 | Very high | 94.5 | Very high | 58 Ų | 58 | 65 Ų | 65 | 48% | 0.479 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L105 I106 A112 A113 | L105-A109 WeakPolarHBondContact O-CB 3.46Å; L105-A109 PolarHBondContact O-N 2.91Å; I106-A109 CarbonylContact O-C 3.42Å; I106-A109 WeakPolarHBondContact O-CA 3.41Å; I106-A109 WeakPolarHBondContact O-CB 3.39Å; I106-A109 PolarHBondContact O-N 3.26Å; A109-A112 PolarHBondContact O-N 2.98Å; A109-A113 WeakPolarHBondContact O-CB 3.34Å; A109-A113 PolarHBondContact O-N 3.41Å |
| 110 | E | 94.3 | Very high | 94 | Very high | 61 Ų | 61 | 70.4 Ų | 70.4 | 29% | 0.285 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 174.9 | -70.1 | -166.1 | 160.4 | 0 | 0 | 111.4 | I106 F107 A112 A113 A114 V238 L239 | I106-E110 HydrophobicContact CG2-CG 4.22Å; I106-E110 WeakPolarHBondContact O-CG 3.3Å; I106-E110 PolarHBondContact O-N 3.37Å; F107-E110 PolarHBondContact O-N 2.87Å; E110-A112 PolarHBondContact O-N 2.99Å; E110-A113 PolarHBondContact O-N 3.26Å; E110-A114 WeakPolarHBondContact O-CB 3.47Å; E110-A114 PolarHBondContact O-N 3.27Å; E110-V238 WeakPolarHBondContact OE1-CG1 3.08Å; E110-L239 HydrophobicContact CB-CD2 4Å; E110-L239 VanDerWaalsContact OE2-CD2 3.27Å; E110-L239 WeakPolarHBondContact OE2-CD2 3.41Å |
| 111 | L | 95.3 | Very high | 93.4 | Very high | 78 Ų | 78 | 77.1 Ų | 77.1 | 41% | 0.408 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 175.7 | -175 | 66.3 | 0 | 0 | 0 | 111.6 | F107 A114 I115 | F107-L111 WeakPolarHBondContact O-CB 3.38Å; F107-L111 PolarHBondContact O-N 2.81Å; L111-A114 PolarHBondContact O-N 2.85Å; L111-I115 HydrophobicContact CD1-CD1 4.48Å; L111-I115 HydrophobicContact CG-CD1 4.09Å; L111-I115 VanDerWaalsContact O-CG1 3.27Å; L111-I115 WeakPolarHBondContact O-CG1 3.42Å; L111-I115 PolarHBondContact O-N 3.19Å |
| 112 | A | 96.2 | Very high | 92.3 | Very high | 47 Ų | 47 | 79 Ų | 79 | 39% | 0.388 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L108 A109 E110 I115 L116 | L108-A112 WeakPolarHBondContact O-CB 3.25Å; L108-A112 PolarHBondContact O-N 3.33Å; A109-A112 PolarHBondContact O-N 2.98Å; E110-A112 PolarHBondContact O-N 2.99Å; A112-I115 PolarHBondContact O-N 3Å; A112-L116 WeakPolarHBondContact O-CB 3.31Å; A112-L116 WeakPolarHBondContact O-CG 3.36Å; A112-L116 PolarHBondContact O-N 3.16Å |
| 113 | A | 93.6 | Very high | 91.4 | Very high | 57 Ų | 57 | 81.3 Ų | 81.3 | 47% | 0.471 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A109 E110 L116 A117 | A109-A113 WeakPolarHBondContact O-CB 3.34Å; A109-A113 PolarHBondContact O-N 3.41Å; E110-A113 PolarHBondContact O-N 3.26Å; A113-L116 PolarHBondContact O-N 3.14Å; A113-A117 VanDerWaalsContact O-CB 3.31Å; A113-A117 WeakPolarHBondContact O-CB 3.45Å; A113-A117 PolarHBondContact O-N 3.4Å |
| 114 | A | 92 | Very high | 90.7 | Very high | 54 Ų | 54 | 85.1 Ų | 85.1 | 45% | 0.446 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E110 L111 A117 F118 | E110-A114 WeakPolarHBondContact O-CB 3.47Å; E110-A114 PolarHBondContact O-N 3.27Å; L111-A114 PolarHBondContact O-N 2.85Å; A114-A117 PolarHBondContact O-N 3.04Å; A114-F118 WeakPolarHBondContact O-CB 3.35Å; A114-F118 PolarHBondContact O-N 2.84Å |
| 115 | I | 93.4 | Very high | 90.2 | Very high | 91 Ų | 91 | 85.2 Ų | 85.2 | 47% | 0.467 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.5 | -46.4 | 175.8 | -67.1 | 164.7 | 0 | 0 | 0 | 110.6 | L111 A112 A117 F118 I119 | L111-I115 HydrophobicContact CD1-CD1 4.48Å; L111-I115 HydrophobicContact CG-CD1 4.09Å; L111-I115 VanDerWaalsContact O-CG1 3.27Å; L111-I115 WeakPolarHBondContact O-CG1 3.42Å; L111-I115 PolarHBondContact O-N 3.19Å; A112-I115 PolarHBondContact O-N 3Å; I115-A117 VanDerWaalsContact C-N 3.34Å; I115-A117 PolarHBondContact O-N 2.84Å; I115-F118 WeakPolarHBondContact O-CB 3.32Å; I115-F118 PolarHBondContact O-N 3.3Å; I115-F118 VanDerWaalsContact O-N 3.17Å; I115-I119 HydrophobicContact CG2-CD1 3.88Å; I115-I119 HydrophobicContact CG2-CG1 4.49Å; I115-I119 WeakPolarHBondContact O-CG1 3.38Å; I115-I119 PolarHBondContact O-N 2.94Å |
| 116 | L | 93 | Very high | 89.9 | Confident | 91 Ų | 91 | 84.2 Ų | 84.2 | 48% | 0.476 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.7 | -46.6 | 176 | -79.3 | 160.7 | 0 | 0 | 0 | 110.9 | A112 A113 F118 I119 F120 | A112-L116 WeakPolarHBondContact O-CB 3.31Å; A112-L116 WeakPolarHBondContact O-CG 3.36Å; A112-L116 PolarHBondContact O-N 3.16Å; A113-L116 PolarHBondContact O-N 3.14Å; L116-F118 VanDerWaalsContact C-N 3.27Å; L116-F118 PolarHBondContact O-N 3.49Å; L116-I119 PolarHBondContact O-N 3.46Å; L116-F120 HydrophobicContact CB-CD2 4.48Å; L116-F120 HydrophobicContact CD2-CD2 4.38Å; L116-F120 HydrophobicContact CD2-CE2 3.93Å; L116-F120 WeakPolarHBondContact O-CB 3.37Å; L116-F120 VanDerWaalsContact O-CD2 3.26Å; L116-F120 WeakPolarHBondContact O-CD2 3.47Å; L116-F120 PolarHBondContact O-N 2.8Å |
| 117 | A | 89.8 | Confident | 89.7 | Confident | 67 Ų | 67 | 90.8 Ų | 90.8 | 55% | 0.554 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.3 | -39.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A113 A114 I115 R121 | A113-A117 VanDerWaalsContact O-CB 3.31Å; A113-A117 WeakPolarHBondContact O-CB 3.45Å; A113-A117 PolarHBondContact O-N 3.4Å; A114-A117 PolarHBondContact O-N 3.04Å; I115-A117 VanDerWaalsContact C-N 3.34Å; I115-A117 PolarHBondContact O-N 2.84Å; A117-R121 WeakPolarHBondContact O-CB 3.25Å; A117-R121 PolarHBondContact O-N 3.33Å |
| 118 | F | 88.9 | Confident | 89.4 | Confident | 135 Ų | 135 | 93.3 Ų | 93.3 | 59% | 0.592 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.5 | -45 | 176 | -175 | -95.3 | 0 | 0 | 0 | 112.4 | A114 I115 L116 R121 | A114-F118 WeakPolarHBondContact O-CB 3.35Å; A114-F118 PolarHBondContact O-N 2.84Å; I115-F118 WeakPolarHBondContact O-CB 3.32Å; I115-F118 PolarHBondContact O-N 3.3Å; I115-F118 VanDerWaalsContact O-N 3.17Å; L116-F118 VanDerWaalsContact C-N 3.27Å; L116-F118 PolarHBondContact O-N 3.49Å; F118-R121 VanDerWaalsContact O-CB 3.26Å; F118-R121 WeakPolarHBondContact O-CB 3.38Å; F118-R121 PolarHBondContact O-N 3.38Å |
| 119 | I | 89.9 | Confident | 89.2 | Confident | 85 Ų | 85 | 91.6 Ų | 91.6 | 44% | 0.436 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.9 | -48.7 | 177.7 | -65.9 | 168.2 | 0 | 0 | 0 | 110.4 | I115 L116 R121 E122 | I115-I119 HydrophobicContact CG2-CD1 3.88Å; I115-I119 HydrophobicContact CG2-CG1 4.49Å; I115-I119 WeakPolarHBondContact O-CG1 3.38Å; I115-I119 PolarHBondContact O-N 2.94Å; L116-I119 PolarHBondContact O-N 3.46Å; I119-R121 PolarHBondContact O-N 2.86Å; I119-E122 PolarHBondContact O-N 2.98Å; I119-E122 VanDerWaalsContact O-N 3.16Å |
| 120 | F | 85.6 | Confident | 89.1 | Confident | 115 Ų | 115 | 89.6 Ų | 89.6 | 50% | 0.504 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.2 | -20.6 | -178.9 | -83.4 | -71.8 | 0 | 0 | 0 | 113.4 | L116 E122 H123 L124 | L116-F120 HydrophobicContact CB-CD2 4.48Å; L116-F120 HydrophobicContact CD2-CD2 4.38Å; L116-F120 HydrophobicContact CD2-CE2 3.93Å; L116-F120 WeakPolarHBondContact O-CB 3.37Å; L116-F120 VanDerWaalsContact O-CD2 3.26Å; L116-F120 WeakPolarHBondContact O-CD2 3.47Å; L116-F120 PolarHBondContact O-N 2.8Å; F120-E122 PolarHBondContact O-N 3.26Å; F120-H123 AromaticContact CD1-CD2 3.93Å; F120-H123 PolarHBondContact O-N 3.45Å; F120-L124 WeakPolarHBondContact O-CG 3.45Å; F120-L124 PolarHBondContact O-N 3.02Å; F120-L124 VanDerWaalsContact O-N 3.17Å |
| 121 | R | 82.6 | Confident | 89 | Confident | 180 Ų | 180 | 93.8 Ų | 93.8 | 68% | 0.679 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -53.5 | -34.9 | 172 | -170.1 | -175.8 | 178.4 | -171.3 | 0.7 | 112 | A117 F118 I119 H123 L124 | A117-R121 WeakPolarHBondContact O-CB 3.25Å; A117-R121 PolarHBondContact O-N 3.33Å; F118-R121 VanDerWaalsContact O-CB 3.26Å; F118-R121 WeakPolarHBondContact O-CB 3.38Å; F118-R121 PolarHBondContact O-N 3.38Å; I119-R121 PolarHBondContact O-N 2.86Å; R121-H123 VanDerWaalsContact C-N 3.29Å; R121-H123 PolarHBondContact O-N 2.97Å; R121-L124 PolarHBondContact O-N 3.47Å |
| 122 | E | 72.4 | Confident | 88.9 | Confident | 139 Ų | 139 | 92.1 Ų | 92.1 | 65% | 0.65 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -24.4 | 178.3 | -60.2 | -167.8 | 164.6 | 0 | 0 | 113.1 | I119 F120 T125 | I119-E122 PolarHBondContact O-N 2.98Å; I119-E122 VanDerWaalsContact O-N 3.16Å; F120-E122 PolarHBondContact O-N 3.26Å; E122-T125 VanDerWaalsContact O-CG2 3.23Å; E122-T125 WeakPolarHBondContact O-CG2 3.33Å |
| 123 | H | 75.8 | Confident | 88.8 | Confident | 98 Ų | 98 | 89.9 Ų | 89.9 | 45% | 0.454 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -18.9 | 175.5 | -63.1 | -53 | 0 | 0 | 0 | 113 | F120 R121 T125 Y128 | F120-H123 AromaticContact CD1-CD2 3.93Å; F120-H123 PolarHBondContact O-N 3.45Å; R121-H123 VanDerWaalsContact C-N 3.29Å; R121-H123 PolarHBondContact O-N 2.97Å; H123-T125 PolarHBondContact O-N 3.02Å; H123-Y128 VanDerWaalsContact O-CB 3.26Å; H123-Y128 WeakPolarHBondContact O-CB 3.47Å; H123-Y128 WeakPolarHBondContact O-CD1 3.28Å; H123-Y128 VanDerWaalsContact O-CG 3.24Å |
| 124 | L | 82.4 | Confident | 88.8 | Confident | 93 Ų | 93 | 90.1 Ų | 90.1 | 49% | 0.487 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -85 | 44.1 | 177.3 | -62.1 | 173.2 | 0 | 0 | 0 | 112.1 | F120 R121 F129 Y217 | F120-L124 WeakPolarHBondContact O-CG 3.45Å; F120-L124 PolarHBondContact O-N 3.02Å; F120-L124 VanDerWaalsContact O-N 3.17Å; R121-L124 PolarHBondContact O-N 3.47Å; L124-F129 HydrophobicContact CB-CE2 4.15Å; L124-F129 HydrophobicContact CD2-CE2 3.9Å; L124-F129 HydrophobicContact CD2-CZ 3.51Å; L124-Y217 VanDerWaalsContact O-CE2 3.26Å; L124-Y217 WeakPolarHBondContact O-CE2 3.45Å; L124-Y217 PolarHBondContact O-OH 2.94Å |
| 125 | T | 87.2 | Confident | 88.8 | Confident | 54 Ų | 54 | 90.5 Ų | 90.5 | 33% | 0.331 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -92.8 | 155.8 | 179.4 | 56.3 | 0 | 0 | 0 | 0 | 111.8 | E122 H123 E127 Y128 F129 | E122-T125 VanDerWaalsContact O-CG2 3.23Å; E122-T125 WeakPolarHBondContact O-CG2 3.33Å; H123-T125 PolarHBondContact O-N 3.02Å; T125-E127 PolarHBondContact O-N 2.96Å; T125-Y128 PolarHBondContact O-N 2.97Å; T125-Y128 PolarHBondContact OG1-N 2.94Å; T125-F129 VanDerWaalsContact O-CD2 3.28Å; T125-F129 WeakPolarHBondContact O-CD2 3.38Å; T125-F129 PolarHBondContact O-N 3.35Å; T125-F129 VanDerWaalsContact O-N 3.15Å |
| 126 | R | 90.2 | Very high | 88.7 | Confident | 97 Ų | 97 | 90.1 Ų | 90.1 | 37% | 0.366 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -52 | -42.4 | 173.1 | -73.4 | 170.8 | -178.8 | -90.8 | 3.5 | 111.5 | T130 N163 Y217 | R126-T130 VanDerWaalsContact O-CB 3.31Å; R126-T130 WeakPolarHBondContact O-CB 3.44Å; R126-T130 PolarHBondContact O-N 3.32Å; R126-T130 PolarHBondContact O-OG1 2.96Å; R126-N163 WeakPolarHBondContact CB-OD1 3.34Å; R126-N163 VanDerWaalsContact CD-OD1 3.22Å; R126-N163 WeakPolarHBondContact CD-OD1 3.4Å; R126-N163 WeakPolarHBondContact CG-OD1 3.37Å; R126-N163 PolarHBondContact NH1-OD1 3.4Å; R126-Y217 HydrophobicContact CG-CD1 3.44Å; R126-Y217 VanDerWaalsContact CG-CD1 3.44Å; R126-Y217 HydrophobicContact CG-CD2 3.89Å; R126-Y217 HydrophobicContact CG-CE1 3.72Å; R126-Y217 HydrophobicContact CG-CE2 4.14Å; R126-Y217 HydrophobicContact CG-CG 3.52Å; R126-Y217 VanDerWaalsContact CZ-CD1 3.5Å |
| 127 | E | 90.8 | Very high | 88.6 | Confident | 161 Ų | 161 | 85.8 Ų | 85.8 | 75% | 0.752 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64.8 | -46.2 | -178.1 | -65.8 | -178.1 | -179.4 | 0 | 0 | 112.5 | T125 T130 K131 | T125-E127 PolarHBondContact O-N 2.96Å; E127-T130 PolarHBondContact O-N 3.29Å; E127-K131 WeakPolarHBondContact O-CB 3.42Å; E127-K131 PolarHBondContact O-N 3.32Å |
| 128 | Y | 90.9 | Very high | 88.4 | Confident | 104 Ų | 104 | 86.1 Ų | 86.1 | 41% | 0.408 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.9 | -52.2 | 177.2 | 178.3 | -99.6 | 0 | 0 | 0 | 110.9 | H123 T125 T130 K131 E132 | H123-Y128 VanDerWaalsContact O-CB 3.26Å; H123-Y128 WeakPolarHBondContact O-CB 3.47Å; H123-Y128 WeakPolarHBondContact O-CD1 3.28Å; H123-Y128 VanDerWaalsContact O-CG 3.24Å; T125-Y128 PolarHBondContact O-N 2.97Å; T125-Y128 PolarHBondContact OG1-N 2.94Å; Y128-T130 VanDerWaalsContact C-N 3.29Å; Y128-T130 PolarHBondContact O-N 2.88Å; Y128-K131 WeakPolarHBondContact O-CB 3.29Å; Y128-K131 PolarHBondContact O-N 3.48Å; Y128-E132 HydrophobicContact CD1-CG 4.24Å; Y128-E132 HydrophobicContact CD2-CG 4.49Å; Y128-E132 HydrophobicContact CE1-CG 3.81Å; Y128-E132 HydrophobicContact CE2-CG 4.06Å; Y128-E132 WeakPolarHBondContact O-CG 3.47Å; Y128-E132 PolarHBondContact O-N 3.47Å |
| 129 | F | 92.6 | Very high | 88 | Confident | 59 Ų | 59 | 79.8 Ų | 79.8 | 26% | 0.259 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.1 | -36.5 | 178.1 | -75.6 | -61.9 | 0 | 0 | 0 | 112.8 | L124 T125 K131 E132 L133 W150 V162 Y217 | L124-F129 HydrophobicContact CB-CE2 4.15Å; L124-F129 HydrophobicContact CD2-CE2 3.9Å; L124-F129 HydrophobicContact CD2-CZ 3.51Å; T125-F129 VanDerWaalsContact O-CD2 3.28Å; T125-F129 WeakPolarHBondContact O-CD2 3.38Å; T125-F129 PolarHBondContact O-N 3.35Å; T125-F129 VanDerWaalsContact O-N 3.15Å; F129-K131 VanDerWaalsContact C-N 3.35Å; F129-E132 PolarHBondContact O-N 3.34Å; F129-L133 WeakPolarHBondContact O-CB 3.45Å; F129-L133 PolarHBondContact O-N 2.89Å; F129-W150 HydrophobicContact CB-CZ2 4.44Å; F129-W150 HydrophobicContact CD1-CZ2 4.32Å; F129-V162 HydrophobicContact CB-CG1 3.74Å; F129-V162 HydrophobicContact CB-CG2 4.07Å; F129-Y217 AromaticContact CD2-CD2 3.95Å; F129-Y217 HydrophobicContact CD2-CD2 3.95Å; F129-Y217 AromaticContact CD2-CE2 3.98Å; F129-Y217 HydrophobicContact CD2-CE2 3.98Å; F129-Y217 HydrophobicContact CE2-CD2 4.43Å; F129-Y217 HydrophobicContact CE2-CE2 4.2Å |
| 130 | T | 93.9 | Very high | 87.1 | Confident | 16 Ų | 16 | 81.3 Ų | 81.3 | 10% | 0.098 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 178 | -56.1 | 0 | 0 | 0 | 0 | 110.6 | R126 E127 Y128 K134 N163 D167 | R126-T130 VanDerWaalsContact O-CB 3.31Å; R126-T130 WeakPolarHBondContact O-CB 3.44Å; R126-T130 PolarHBondContact O-N 3.32Å; R126-T130 PolarHBondContact O-OG1 2.96Å; E127-T130 PolarHBondContact O-N 3.29Å; Y128-T130 VanDerWaalsContact C-N 3.29Å; Y128-T130 PolarHBondContact O-N 2.88Å; T130-K134 HydrophobicContact CG2-CD 4.26Å; T130-K134 WeakPolarHBondContact O-CB 3.27Å; T130-K134 WeakPolarHBondContact O-CG 3.34Å; T130-K134 PolarHBondContact O-N 3.27Å; T130-N163 PolarHBondContact OG1-ND2 3.03Å; T130-D167 HydrophobicContact CG2-CB 4.49Å |
| 131 | K | 92.9 | Very high | 86.3 | Confident | 149 Ų | 149 | 83.6 Ų | 83.6 | 65% | 0.648 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.3 | -47.7 | 176.5 | -175.6 | -176.3 | 176.5 | -173 | 0 | 111.5 | E127 Y128 F129 K134 S135 | E127-K131 WeakPolarHBondContact O-CB 3.42Å; E127-K131 PolarHBondContact O-N 3.32Å; Y128-K131 WeakPolarHBondContact O-CB 3.29Å; Y128-K131 PolarHBondContact O-N 3.48Å; F129-K131 VanDerWaalsContact C-N 3.35Å; K131-K134 PolarHBondContact O-N 2.92Å; K131-S135 WeakPolarHBondContact O-CB 3.49Å; K131-S135 PolarHBondContact O-N 2.96Å |
| 132 | E | 92.6 | Very high | 86 | Confident | 43 Ų | 43 | 77.5 Ų | 77.5 | 20% | 0.201 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 178.5 | -68.6 | -57.5 | 126 | 0 | 0 | 111.5 | Y128 F129 K134 S135 H136 F146 | Y128-E132 HydrophobicContact CD1-CG 4.24Å; Y128-E132 HydrophobicContact CD2-CG 4.49Å; Y128-E132 HydrophobicContact CE1-CG 3.81Å; Y128-E132 HydrophobicContact CE2-CG 4.06Å; Y128-E132 WeakPolarHBondContact O-CG 3.47Å; Y128-E132 PolarHBondContact O-N 3.47Å; F129-E132 PolarHBondContact O-N 3.34Å; E132-K134 PolarHBondContact O-N 3.26Å; E132-S135 PolarHBondContact O-N 3.42Å; E132-H136 WeakPolarHBondContact O-CB 3.33Å; E132-H136 PolarHBondContact O-N 3.13Å; E132-H136 IonicContact OE2-CD2 3.19Å; E132-H136 PolarHBondContact OE2-CD2 2.84Å; E132-H136 IonicContact OE2-NE2 3.56Å; E132-F146 HydrophobicContact CB-CE2 4.35Å; E132-F146 HydrophobicContact CB-CZ 4.08Å |
| 133 | L | 93.9 | Very high | 86 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.5 | -49.5 | 175.3 | -175.7 | 77.2 | 0 | 0 | 0 | 110.6 | F129 S135 Y137 W150 V162 D167 F168 | F129-L133 WeakPolarHBondContact O-CB 3.45Å; F129-L133 PolarHBondContact O-N 2.89Å; L133-S135 VanDerWaalsContact C-N 3.32Å; L133-S135 PolarHBondContact O-N 3.18Å; L133-Y137 HydrophobicContact CD1-CD2 4.04Å; L133-Y137 HydrophobicContact CD1-CG 3.98Å; L133-Y137 WeakPolarHBondContact O-CB 3.48Å; L133-Y137 PolarHBondContact O-N 3.49Å; L133-W150 HydrophobicContact CD1-CB 4.42Å; L133-W150 HydrophobicContact CD1-CD2 3.54Å; L133-W150 HydrophobicContact CD1-CE3 4.03Å; L133-W150 HydrophobicContact CD1-CG 3.7Å; L133-W150 HydrophobicContact CD1-CZ2 4.22Å; L133-V162 HydrophobicContact CB-CG2 3.96Å; L133-V162 HydrophobicContact CD2-CG2 3.67Å; L133-V162 HydrophobicContact CG-CG2 4.39Å; L133-D167 HydrophobicContact CD2-CB 4.28Å; L133-F168 HydrophobicContact CD1-CE1 4.2Å; L133-F168 HydrophobicContact CD1-CZ 4.35Å; L133-F168 HydrophobicContact CD2-CE1 3.94Å; L133-F168 HydrophobicContact CD2-CZ 3.91Å; L133-F168 HydrophobicContact CG-CE1 4.14Å; L133-F168 HydrophobicContact CG-CZ 4.47Å |
| 134 | K | 93.5 | Very high | 86.6 | Confident | 62 Ų | 62 | 73.3 Ų | 73.3 | 27% | 0.27 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62 | -37.9 | 180 | -77.7 | 179.7 | 174.6 | -170.1 | 0 | 113 | T130 K131 E132 D167 D170 S171 L172 | T130-K134 HydrophobicContact CG2-CD 4.26Å; T130-K134 WeakPolarHBondContact O-CB 3.27Å; T130-K134 WeakPolarHBondContact O-CG 3.34Å; T130-K134 PolarHBondContact O-N 3.27Å; K131-K134 PolarHBondContact O-N 2.92Å; E132-K134 PolarHBondContact O-N 3.26Å; K134-D167 WeakPolarHBondContact CE-O 3.37Å; K134-D167 WeakPolarHBondContact CG-O 3.48Å; K134-D170 IonicContact NZ-OD2 4Å; K134-S171 WeakPolarHBondContact O-CA 3.44Å; K134-L172 PolarHBondContact O-N 3.43Å |
| 135 | S | 92 | Very high | 86.8 | Confident | 61 Ų | 61 | 74.5 Ų | 74.5 | 43% | 0.427 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -81.3 | -36.1 | -175.5 | -177.3 | 0 | 0 | 0 | 0 | 113.3 | K131 E132 L133 L172 | K131-S135 WeakPolarHBondContact O-CB 3.49Å; K131-S135 PolarHBondContact O-N 2.96Å; E132-S135 PolarHBondContact O-N 3.42Å; L133-S135 VanDerWaalsContact C-N 3.32Å; L133-S135 PolarHBondContact O-N 3.18Å; S135-L172 WeakPolarHBondContact O-CD1 3.23Å |
| 136 | H | 91.4 | Very high | 87 | Confident | 84 Ų | 84 | 74.8 Ų | 74.8 | 39% | 0.389 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -114.7 | -21.3 | -166.3 | -66.5 | -74.2 | 0 | 0 | 0 | 114.9 | E132 Q138 F146 | E132-H136 WeakPolarHBondContact O-CB 3.33Å; E132-H136 PolarHBondContact O-N 3.13Å; E132-H136 IonicContact OE2-CD2 3.19Å; E132-H136 PolarHBondContact OE2-CD2 2.84Å; E132-H136 IonicContact OE2-NE2 3.56Å; H136-Q138 WeakPolarHBondContact O-CG 3.19Å; H136-Q138 PolarHBondContact O-N 3.38Å; H136-F146 HydrophobicContact CB-CD1 3.72Å; H136-F146 HydrophobicContact CB-CE1 3.61Å; H136-F146 HydrophobicContact CB-CG 4.27Å; H136-F146 HydrophobicContact CB-CZ 4.07Å |
| 137 | Y | 91.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | trans | -75.1 | 126.7 | -177.6 | -175.1 | -91.1 | 0 | 0 | 0 | 111.8 | L133 T147 W150 N151 M154 F168 F173 P183 | L133-Y137 HydrophobicContact CD1-CD2 4.04Å; L133-Y137 HydrophobicContact CD1-CG 3.98Å; L133-Y137 WeakPolarHBondContact O-CB 3.48Å; L133-Y137 PolarHBondContact O-N 3.49Å; Y137-T147 HydrophobicContact CD2-CG2 4.13Å; Y137-T147 HydrophobicContact CE2-CG2 3.73Å; Y137-W150 HydrophobicContact CD2-CB 3.77Å; Y137-W150 HydrophobicContact CD2-CG 4.33Å; Y137-W150 HydrophobicContact CE2-CB 3.81Å; Y137-N151 PolarHBondContact OH-OD1 3.41Å; Y137-M154 HydrophobicContact CE2-CE 3.9Å; Y137-F168 HydrophobicContact CD1-CD1 4.23Å; Y137-F168 AromaticContact CD1-CE1 3.56Å; Y137-F168 HydrophobicContact CD1-CE1 3.56Å; Y137-F168 AromaticContact CE1-CE1 3.79Å; Y137-F168 HydrophobicContact CE1-CE1 3.79Å; Y137-F168 HydrophobicContact CE1-CZ 4.46Å; Y137-F168 HydrophobicContact CG-CE1 4.16Å; Y137-F173 HydrophobicContact CD1-CB 3.78Å; Y137-F173 HydrophobicContact CD1-CD2 4.4Å; Y137-F173 HydrophobicContact CD1-CG 4.16Å; Y137-F173 HydrophobicContact CE1-CB 4.2Å; Y137-F173 AromaticContact CE1-CD2 3.99Å; Y137-F173 HydrophobicContact CE1-CD2 3.99Å; Y137-F173 HydrophobicContact CE1-CG 4.07Å; Y137-F173 PolarHBondContact O-N 3.17Å; Y137-P183 HydrophobicContact CD1-CG 4.3Å; Y137-P183 HydrophobicContact CE1-CB 3.87Å; Y137-P183 HydrophobicContact CE1-CG 3.3Å; Y137-P183 WeakPolarHBondContact OH-CB 3.03Å; Y137-P183 WeakPolarHBondContact OH-CG 3.28Å | ||
| 138 | Q | 86 | Confident | 86.8 | Confident | 74 Ų | 74 | 64.9 Ų | 64.9 | 35% | 0.346 | 33% | 0.332 | S | S | . | . | trans | -116.1 | -6.2 | -172.9 | -49.1 | -163.8 | 12.8 | 0 | 0 | 115 | H136 N142 T147 L172 | H136-Q138 WeakPolarHBondContact O-CG 3.19Å; H136-Q138 PolarHBondContact O-N 3.38Å; Q138-N142 HydrophobicContact CB-CB 4.04Å; Q138-N142 VanDerWaalsContact CD-ND2 3.3Å; Q138-N142 PolarHBondContact OE1-ND2 3.32Å; Q138-T147 PolarHBondContact N-OG1 3.37Å; Q138-L172 HydrophobicContact CG-CD2 4.03Å | ||
| 139 | G | 79.6 | Confident | 86.8 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | trans | 98.8 | 164.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | N141 N142 T147 F173 | G139-N141 PolarHBondContact O-N 3.28Å; G139-N142 PolarHBondContact O-N 3.21Å; G139-T147 WeakPolarHBondContact O-CG2 3.49Å; G139-F173 VanDerWaalsContact CA-CD2 3.46Å | ||
| 140 | Y | 70.2 | Confident | 86.8 | Confident | 116 Ų | 116 | 61.4 Ų | 61.4 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -28.3 | -166 | -166.6 | -97.3 | 0 | 0 | 0 | 116.5 | N142 | Y140-N142 VanDerWaalsContact C-N 3.29Å; Y140-N142 PolarHBondContact O-N 2.87Å |
| 141 | N | 70.4 | Confident | 86.7 | Confident | 163 Ų | 163 | 61.2 Ų | 61.2 | 87% | 0.872 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -8.5 | 179.8 | -72.1 | -13.9 | 0 | 0 | 0 | 114.2 | G139 | G139-N141 PolarHBondContact O-N 3.28Š|
| 142 | N | 74.9 | Confident | 86.5 | Confident | 53 Ų | 53 | 56.4 Ų | 56.4 | 28% | 0.283 | 31% | 0.311 | S | S | . | . | trans | -91.6 | 129.1 | 174.6 | -157.4 | -26.2 | 0 | 0 | 0 | 110.6 | Q138 G139 Y140 D144 T147 | Q138-N142 HydrophobicContact CB-CB 4.04Å; Q138-N142 VanDerWaalsContact CD-ND2 3.3Å; Q138-N142 PolarHBondContact OE1-ND2 3.32Å; G139-N142 PolarHBondContact O-N 3.21Å; Y140-N142 VanDerWaalsContact C-N 3.29Å; Y140-N142 PolarHBondContact O-N 2.87Å; N142-D144 VanDerWaalsContact C-N 3.3Å; N142-D144 WeakPolarHBondContact CB-OD1 3.33Å; N142-D144 PolarHBondContact ND2-OD1 2.87Å; N142-D144 PolarHBondContact OD1-N 3.03Å; N142-D144 VanDerWaalsContact OD1-N 3.13Å; N142-D144 PolarHBondContact OD1-OD1 3.16Å; N142-T147 HydrophobicContact CB-CG2 4.44Å | ||
| 143 | S | 73.6 | Confident | 86.6 | Confident | 108 Ų | 108 | 56.4 Ų | 56.4 | 76% | 0.755 | 31% | 0.312 | S | S | * | . | trans | -89.7 | 9 | 179.9 | 56.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 144 | D | 87.4 | Confident | 86.5 | Confident | 41 Ų | 41 | 56.4 Ų | 56.4 | 22% | 0.219 | 31% | 0.312 | C | S | . | . | trans | -59.4 | 146.2 | 173.8 | 77.9 | -92.5 | 0 | 0 | 0 | 111 | N142 F146 T147 S148 | N142-D144 VanDerWaalsContact C-N 3.3Å; N142-D144 WeakPolarHBondContact CB-OD1 3.33Å; N142-D144 PolarHBondContact ND2-OD1 2.87Å; N142-D144 PolarHBondContact OD1-N 3.03Å; N142-D144 VanDerWaalsContact OD1-N 3.13Å; N142-D144 PolarHBondContact OD1-OD1 3.16Å; D144-F146 PolarHBondContact O-N 2.88Å; D144-F146 WeakPolarHBondContact OD2-CA 3.42Å; D144-F146 WeakPolarHBondContact OD2-CB 3.29Å; D144-F146 PolarHBondContact OD2-N 3.44Å; D144-F146 VanDerWaalsContact OD2-N 3.13Å; D144-T147 VanDerWaalsContact CG-OG1 3.27Å; D144-T147 PolarHBondContact O-N 3.37Å; D144-T147 WeakPolarHBondContact OD1-CB 3.48Å; D144-T147 PolarHBondContact OD1-OG1 2.89Å; D144-T147 WeakPolarHBondContact OD2-CB 3.34Å; D144-T147 PolarHBondContact OD2-N 3.33Å; D144-T147 PolarHBondContact OD2-OG1 3.04Å; D144-S148 WeakPolarHBondContact O-CB 3.46Å; D144-S148 PolarHBondContact O-N 2.82Å; D144-S148 PolarHBondContact O-OG 3.04Å | ||
| 145 | V | 87.5 | Confident | 86.3 | Confident | 118 Ų | 118 | 56.1 Ų | 56.1 | 72% | 0.715 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.3 | -35.3 | -173.4 | 178.7 | 0 | 0 | 0 | 0 | 111 | T149 | V145-T149 VanDerWaalsContact O-CB 3.24Å; V145-T149 WeakPolarHBondContact O-CB 3.39Å; V145-T149 PolarHBondContact O-N 3.46Å; V145-T149 PolarHBondContact O-OG1 3.25Å |
| 146 | F | 89.9 | Confident | 86.2 | Confident | 60 Ų | 60 | 57.8 Ų | 57.8 | 26% | 0.263 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.4 | -50.6 | -178 | -177.6 | -91.7 | 0 | 0 | 0 | 111.4 | E132 H136 D144 T149 W150 | E132-F146 HydrophobicContact CB-CE2 4.35Å; E132-F146 HydrophobicContact CB-CZ 4.08Å; H136-F146 HydrophobicContact CB-CD1 3.72Å; H136-F146 HydrophobicContact CB-CE1 3.61Å; H136-F146 HydrophobicContact CB-CG 4.27Å; H136-F146 HydrophobicContact CB-CZ 4.07Å; D144-F146 PolarHBondContact O-N 2.88Å; D144-F146 WeakPolarHBondContact OD2-CA 3.42Å; D144-F146 WeakPolarHBondContact OD2-CB 3.29Å; D144-F146 PolarHBondContact OD2-N 3.44Å; D144-F146 VanDerWaalsContact OD2-N 3.13Å; F146-T149 PolarHBondContact O-N 3.42Å; F146-W150 AromaticContact CD1-CD1 3.86Å; F146-W150 AromaticContact CE1-CD1 3.43Å; F146-W150 VanDerWaalsContact CE1-CD1 3.43Å; F146-W150 AromaticContact CE1-NE1 3.68Å; F146-W150 AromaticContact CE2-CD1 3.96Å; F146-W150 AromaticContact CE2-NE1 3.72Å; F146-W150 AromaticContact CZ-CD1 3.5Å; F146-W150 VanDerWaalsContact CZ-CD1 3.5Å; F146-W150 AromaticContact CZ-NE1 3.25Å; F146-W150 VanDerWaalsContact CZ-NE1 3.25Å; F146-W150 PolarHBondContact O-N 2.84Å |
| 147 | T | 89.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 176.4 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | Y137 Q138 G139 N142 D144 T149 W150 N151 | Y137-T147 HydrophobicContact CD2-CG2 4.13Å; Y137-T147 HydrophobicContact CE2-CG2 3.73Å; Q138-T147 PolarHBondContact N-OG1 3.37Å; G139-T147 WeakPolarHBondContact O-CG2 3.49Å; N142-T147 HydrophobicContact CB-CG2 4.44Å; D144-T147 VanDerWaalsContact CG-OG1 3.27Å; D144-T147 PolarHBondContact O-N 3.37Å; D144-T147 WeakPolarHBondContact OD1-CB 3.48Å; D144-T147 PolarHBondContact OD1-OG1 2.89Å; D144-T147 WeakPolarHBondContact OD2-CB 3.34Å; D144-T147 PolarHBondContact OD2-N 3.33Å; D144-T147 PolarHBondContact OD2-OG1 3.04Å; T147-T149 VanDerWaalsContact C-N 3.33Å; T147-T149 PolarHBondContact O-N 2.99Å; T147-W150 PolarHBondContact O-N 3.41Å; T147-N151 WeakPolarHBondContact O-CB 3.41Å; T147-N151 PolarHBondContact O-N 3.45Å; T147-N151 PolarHBondContact O-ND2 3.23Å |
| 148 | S | 88.6 | Confident | 86 | Confident | 50 Ų | 50 | 60.6 Ų | 60.6 | 35% | 0.35 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 177.6 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | D144 N151 A152 | D144-S148 WeakPolarHBondContact O-CB 3.46Å; D144-S148 PolarHBondContact O-N 2.82Å; D144-S148 PolarHBondContact O-OG 3.04Å; S148-N151 PolarHBondContact O-N 3.16Å; S148-A152 PolarHBondContact O-N 2.86Å |
| 149 | T | 91.3 | Very high | 86.4 | Confident | 70 Ų | 70 | 57 Ų | 57 | 43% | 0.429 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.2 | -45.7 | 176.7 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | V145 F146 T147 N151 A152 I153 | V145-T149 VanDerWaalsContact O-CB 3.24Å; V145-T149 WeakPolarHBondContact O-CB 3.39Å; V145-T149 PolarHBondContact O-N 3.46Å; V145-T149 PolarHBondContact O-OG1 3.25Å; F146-T149 PolarHBondContact O-N 3.42Å; T147-T149 VanDerWaalsContact C-N 3.33Å; T147-T149 PolarHBondContact O-N 2.99Å; T149-N151 VanDerWaalsContact C-N 3.34Å; T149-N151 PolarHBondContact O-N 3.17Å; T149-A152 WeakPolarHBondContact O-CB 3.39Å; T149-A152 PolarHBondContact O-N 3.24Å; T149-I153 HydrophobicContact CG2-CD1 4.02Å; T149-I153 WeakPolarHBondContact O-CG1 3.28Å; T149-I153 PolarHBondContact O-N 2.95Å |
| 150 | W | 92.6 | Very high | 87 | Confident | 19 Ų | 19 | 57 Ų | 57 | 7% | 0.072 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.7 | -38 | 176.3 | -92.6 | 109 | 0 | 0 | 0 | 112.8 | F129 L133 Y137 F146 T147 I153 M154 V162 C216 | F129-W150 HydrophobicContact CB-CZ2 4.44Å; F129-W150 HydrophobicContact CD1-CZ2 4.32Å; L133-W150 HydrophobicContact CD1-CB 4.42Å; L133-W150 HydrophobicContact CD1-CD2 3.54Å; L133-W150 HydrophobicContact CD1-CE3 4.03Å; L133-W150 HydrophobicContact CD1-CG 3.7Å; L133-W150 HydrophobicContact CD1-CZ2 4.22Å; Y137-W150 HydrophobicContact CD2-CB 3.77Å; Y137-W150 HydrophobicContact CD2-CG 4.33Å; Y137-W150 HydrophobicContact CE2-CB 3.81Å; F146-W150 AromaticContact CD1-CD1 3.86Å; F146-W150 AromaticContact CE1-CD1 3.43Å; F146-W150 VanDerWaalsContact CE1-CD1 3.43Å; F146-W150 AromaticContact CE1-NE1 3.68Å; F146-W150 AromaticContact CE2-CD1 3.96Å; F146-W150 AromaticContact CE2-NE1 3.72Å; F146-W150 AromaticContact CZ-CD1 3.5Å; F146-W150 VanDerWaalsContact CZ-CD1 3.5Å; F146-W150 AromaticContact CZ-NE1 3.25Å; F146-W150 VanDerWaalsContact CZ-NE1 3.25Å; F146-W150 PolarHBondContact O-N 2.84Å; T147-W150 PolarHBondContact O-N 3.41Å; W150-I153 HydrophobicContact CE3-CB 4.46Å; W150-I153 HydrophobicContact CE3-CG2 4.36Å; W150-I153 HydrophobicContact CZ3-CG2 4.29Å; W150-I153 PolarHBondContact O-N 3.35Å; W150-M154 HydrophobicContact CB-CE 4.27Å; W150-M154 WeakPolarHBondContact O-CB 3.22Å; W150-M154 WeakPolarHBondContact O-CE 3.36Å; W150-M154 WeakPolarHBondContact O-CG 3.22Å; W150-M154 PolarHBondContact O-N 2.89Å; W150-V162 HydrophobicContact CH2-CG2 3.71Å; W150-V162 HydrophobicContact CZ2-CG2 4.05Å; W150-C216 HydrophobicContact CZ3-CB 3.91Å |
| 151 | N | 90.9 | Very high | 88.2 | Confident | 13 Ų | 13 | 51.4 Ų | 51.4 | 7% | 0.07 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 173.1 | -69.4 | -23.7 | 0 | 0 | 0 | 111.5 | Y137 T147 S148 T149 T155 A185 | Y137-N151 PolarHBondContact OH-OD1 3.41Å; T147-N151 WeakPolarHBondContact O-CB 3.41Å; T147-N151 PolarHBondContact O-N 3.45Å; T147-N151 PolarHBondContact O-ND2 3.23Å; S148-N151 PolarHBondContact O-N 3.16Å; T149-N151 VanDerWaalsContact C-N 3.34Å; T149-N151 PolarHBondContact O-N 3.17Å; N151-T155 WeakPolarHBondContact O-CB 3.26Å; N151-T155 WeakPolarHBondContact O-CG2 3.5Å; N151-T155 PolarHBondContact O-N 3.35Å; N151-T155 PolarHBondContact O-OG1 3.28Å; N151-A185 HydrophobicContact CB-CB 4.06Å; N151-A185 WeakPolarHBondContact OD1-CB 3.26Å |
| 152 | A | 89.7 | Confident | 89.4 | Confident | 48 Ų | 48 | 43.7 Ų | 43.7 | 40% | 0.397 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S148 T149 T155 T156 | S148-A152 PolarHBondContact O-N 2.86Å; T149-A152 WeakPolarHBondContact O-CB 3.39Å; T149-A152 PolarHBondContact O-N 3.24Å; A152-T155 WeakPolarHBondContact CA-OG1 3.31Å; A152-T155 PolarHBondContact O-N 2.95Å; A152-T155 PolarHBondContact O-OG1 3.38Å; A152-T155 VanDerWaalsContact O-OG1 3.11Å; A152-T156 WeakPolarHBondContact O-CB 3.23Å; A152-T156 PolarHBondContact O-N 2.56Å; A152-T156 PolarHBondContact O-OG1 3.4Å |
| 153 | I | 92.8 | Very high | 90.3 | Very high | 43 Ų | 43 | 43.8 Ų | 43.8 | 22% | 0.221 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.6 | -53.3 | 177.4 | -69.9 | 166.5 | 0 | 0 | 0 | 110.7 | T149 W150 T155 T156 F157 C216 V220 | T149-I153 HydrophobicContact CG2-CD1 4.02Å; T149-I153 WeakPolarHBondContact O-CG1 3.28Å; T149-I153 PolarHBondContact O-N 2.95Å; W150-I153 HydrophobicContact CE3-CB 4.46Å; W150-I153 HydrophobicContact CE3-CG2 4.36Å; W150-I153 HydrophobicContact CZ3-CG2 4.29Å; W150-I153 PolarHBondContact O-N 3.35Å; I153-T155 VanDerWaalsContact C-N 3.29Å; I153-T155 PolarHBondContact O-N 3.17Å; I153-T156 PolarHBondContact O-N 2.96Å; I153-F157 HydrophobicContact CG2-CD2 4.12Å; I153-F157 WeakPolarHBondContact O-CD2 3.26Å; I153-F157 PolarHBondContact O-N 3.02Å; I153-C216 HydrophobicContact CG2-CB 4Å; I153-V220 HydrophobicContact CG2-CG2 4.03Å |
| 154 | M | 92.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.4 | -41.9 | -179.1 | -72.7 | -177 | -75.2 | 0 | 0 | 112 | Y137 W150 D158 C159 F168 A185 C186 R212 | Y137-M154 HydrophobicContact CE2-CE 3.9Å; W150-M154 HydrophobicContact CB-CE 4.27Å; W150-M154 WeakPolarHBondContact O-CB 3.22Å; W150-M154 WeakPolarHBondContact O-CE 3.36Å; W150-M154 WeakPolarHBondContact O-CG 3.22Å; W150-M154 PolarHBondContact O-N 2.89Å; M154-D158 PolarHBondContact O-N 3.31Å; M154-C159 WeakPolarHBondContact CA-O 3.4Å; M154-C159 WeakPolarHBondContact CB-O 3.37Å; M154-C159 PolarHBondContact O-N 2.91Å; M154-F168 HydrophobicContact CE-CZ 4.39Å; M154-F168 HydrophobicContact SD-CE2 4.29Å; M154-F168 HydrophobicContact SD-CZ 3.99Å; M154-A185 HydrophobicContact CB-CB 4.16Å; M154-A185 HydrophobicContact CE-CB 3.82Å; M154-A185 HydrophobicContact SD-CB 4.5Å; M154-C186 PolarHBondContact SD-SG 2.93Å; M154-R212 PolarHBondContact O-NH1 3.28Å |
| 155 | T | 89.1 | Confident | 91.3 | Very high | 55 Ų | 55 | 38.6 Ų | 38.6 | 34% | 0.337 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -74.1 | -37.1 | 179.4 | 51.9 | 0 | 0 | 0 | 0 | 114 | N151 A152 I153 A185 | N151-T155 WeakPolarHBondContact O-CB 3.26Å; N151-T155 WeakPolarHBondContact O-CG2 3.5Å; N151-T155 PolarHBondContact O-N 3.35Å; N151-T155 PolarHBondContact O-OG1 3.28Å; A152-T155 WeakPolarHBondContact CA-OG1 3.31Å; A152-T155 PolarHBondContact O-N 2.95Å; A152-T155 PolarHBondContact O-OG1 3.38Å; A152-T155 VanDerWaalsContact O-OG1 3.11Å; I153-T155 VanDerWaalsContact C-N 3.29Å; I153-T155 PolarHBondContact O-N 3.17Å; T155-A185 HydrophobicContact CG2-CB 4.11Å |
| 156 | T | 89.9 | Confident | 91.5 | Very high | 97 Ų | 97 | 37.4 Ų | 37.4 | 60% | 0.595 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -76.1 | -38 | -176.8 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | A152 I153 | A152-T156 WeakPolarHBondContact O-CB 3.23Å; A152-T156 PolarHBondContact O-N 2.56Å; A152-T156 PolarHBondContact O-OG1 3.4Å; I153-T156 PolarHBondContact O-N 2.96Å |
| 157 | F | 91 | Very high | 91.6 | Very high | 46 Ų | 46 | 35.3 Ų | 35.3 | 20% | 0.202 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 11.5 | -175.3 | -63.8 | -74.3 | 0 | 0 | 0 | 113.8 | I153 C159 A219 V220 Y223 F224 | I153-F157 HydrophobicContact CG2-CD2 4.12Å; I153-F157 WeakPolarHBondContact O-CD2 3.26Å; I153-F157 PolarHBondContact O-N 3.02Å; F157-C159 VanDerWaalsContact C-N 3.26Å; F157-C159 PolarHBondContact O-N 3.43Å; F157-A219 HydrophobicContact CB-CB 4.21Å; F157-V220 HydrophobicContact CD2-CG2 3.7Å; F157-V220 HydrophobicContact CE2-CG2 3.95Å; F157-V220 HydrophobicContact CG-CG2 4.02Å; F157-V220 HydrophobicContact CZ-CG2 4.46Å; F157-Y223 HydrophobicContact CD1-CD2 4.35Å; F157-Y223 HydrophobicContact CD1-CG 4.14Å; F157-Y223 AromaticContact CE1-CD1 3.61Å; F157-Y223 HydrophobicContact CE1-CD1 3.61Å; F157-Y223 HydrophobicContact CE1-CD2 4.01Å; F157-Y223 HydrophobicContact CE1-CE1 4.06Å; F157-Y223 HydrophobicContact CE1-CE2 4.42Å; F157-Y223 AromaticContact CE1-CG 3.58Å; F157-Y223 HydrophobicContact CE1-CG 3.58Å; F157-Y223 HydrophobicContact CZ-CD1 4.32Å; F157-F224 HydrophobicContact CE1-CE2 4.28Å; F157-F224 AromaticContact CZ-CE2 3.8Å; F157-F224 HydrophobicContact CZ-CE2 3.8Å; F157-F224 HydrophobicContact CZ-CZ 4.32Å |
| 158 | D | 89.6 | Confident | 91.7 | Very high | 96 Ų | 96 | 35.3 Ų | 35.3 | 51% | 0.513 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 46.9 | -179.7 | -79.6 | -51 | 0 | 0 | 0 | 113.6 | M154 R212 | M154-D158 PolarHBondContact O-N 3.31Å; D158-R212 VanDerWaalsContact C-CD 3.48Å; D158-R212 IonicContact OD1-CZ 2.81Å; D158-R212 IonicContact OD1-NE 3.03Å; D158-R212 PolarHBondContact OD1-NE 3.36Å; D158-R212 IonicContact OD1-NH2 3.15Å; D158-R212 PolarHBondContact OD1-NH2 3.22Å |
| 159 | C | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -128.7 | 168.5 | -175.1 | 63.9 | 0 | 0 | 0 | 0 | 112.1 | M154 F157 K214 C216 A219 | M154-C159 WeakPolarHBondContact CA-O 3.4Å; M154-C159 WeakPolarHBondContact CB-O 3.37Å; M154-C159 PolarHBondContact O-N 2.91Å; F157-C159 VanDerWaalsContact C-N 3.26Å; F157-C159 PolarHBondContact O-N 3.43Å; C159-K214 CarbonylContact C-O 3.55Å; C159-K214 VanDerWaalsContact CA-O 3.23Å; C159-K214 WeakPolarHBondContact CA-O 3.26Å; C159-K214 VanDerWaalsContact CB-O 3.26Å; C159-K214 WeakPolarHBondContact CB-O 3.39Å; C159-C216 HydrophobicContact CB-CB 3.84Å; C159-C216 WeakPolarHBondContact CB-SG 3.48Å; C159-C216 WeakPolarHBondContact SG-CA 3.33Å; C159-C216 WeakPolarHBondContact SG-CB 3.4Å; C159-C216 CovalentContact SG-SG 2.03Å; C159-C216 PolarHBondContact SG-SG 2.84Å; C159-A219 HydrophobicContact CB-CB 3.86Å | ||
| 160 | C | 93.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -143.6 | 135.3 | 176.1 | -176 | 0 | 0 | 0 | 0 | 112 | S164 P165 C186 R212 K214 | C160-S164 CarbonylContact O-C 3.4Å; C160-P165 HydrophobicContact CB-CG 4.01Å; C160-C186 VanDerWaalsContact CA-SG 3.55Å; C160-C186 HydrophobicContact CB-CB 3.65Å; C160-C186 WeakPolarHBondContact CB-SG 3.42Å; C160-C186 WeakPolarHBondContact SG-CB 2.97Å; C160-C186 CovalentContact SG-SG 2.02Å; C160-C186 PolarHBondContact SG-SG 3.24Å; C160-R212 HydrophobicContact CB-CB 4.1Å; C160-R212 WeakPolarHBondContact CB-O 3.36Å; C160-K214 PolarHBondContact N-O 2.02Å | ||
| 161 | G | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 65.4 | -173.9 | -176 | 0 | 0 | 0 | 0 | 0 | 112.3 | C216 | G161-C216 WeakPolarHBondContact O-CB 2.94Å; G161-C216 PolarHBondContact O-N 3.09Å; G161-C216 PolarHBondContact O-SG 3.19Å; G161-C216 VanDerWaalsContact O-SG 3.35Å |
| 162 | V | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -82.2 | -53.9 | 178.2 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | F129 L133 W150 D167 G215 C216 Y217 | F129-V162 HydrophobicContact CB-CG1 3.74Å; F129-V162 HydrophobicContact CB-CG2 4.07Å; L133-V162 HydrophobicContact CB-CG2 3.96Å; L133-V162 HydrophobicContact CD2-CG2 3.67Å; L133-V162 HydrophobicContact CG-CG2 4.39Å; W150-V162 HydrophobicContact CH2-CG2 3.71Å; W150-V162 HydrophobicContact CZ2-CG2 4.05Å; V162-D167 WeakPolarHBondContact CA-OD2 3.38Å; V162-D167 PolarHBondContact N-OD2 3.35Å; V162-G215 CarbonylContact O-C 3.57Å; V162-G215 WeakPolarHBondContact O-CA 3.42Å; V162-C216 PolarHBondContact O-N 3.1Å; V162-Y217 VanDerWaalsContact O-CB 3.29Å; V162-Y217 WeakPolarHBondContact O-CB 3.39Å; V162-Y217 PolarHBondContact O-N 3.5Å |
| 163 | N | 94.1 | Very high | 91.3 | Very high | 55 Ų | 55 | 41.1 Ų | 41.1 | 29% | 0.294 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -101.8 | -38.6 | 177.3 | -58.1 | -60.4 | 0 | 0 | 0 | 111.1 | R126 T130 D167 G215 | R126-N163 WeakPolarHBondContact CB-OD1 3.34Å; R126-N163 VanDerWaalsContact CD-OD1 3.22Å; R126-N163 WeakPolarHBondContact CD-OD1 3.4Å; R126-N163 WeakPolarHBondContact CG-OD1 3.37Å; R126-N163 PolarHBondContact NH1-OD1 3.4Å; T130-N163 PolarHBondContact OG1-ND2 3.03Å; N163-D167 PolarHBondContact N-OD2 2.65Å; N163-G215 VanDerWaalsContact C-CA 3.48Å; N163-G215 WeakPolarHBondContact O-CA 3.16Å; N163-G215 PolarHBondContact O-N 3.4Å |
| 164 | S | 92.4 | Very high | 91.1 | Very high | 30 Ų | 30 | 42.6 Ų | 42.6 | 21% | 0.21 | 22% | 0.219 | C | C | . | . | trans | -167.4 | 165.8 | -175.3 | 70.9 | 0 | 0 | 0 | 0 | 111.5 | C160 E166 D167 | C160-S164 CarbonylContact O-C 3.4Å; S164-E166 WeakPolarHBondContact CB-OE2 3.37Å; S164-E166 PolarHBondContact O-N 3.1Å; S164-E166 VanDerWaalsContact O-N 3.1Å; S164-E166 PolarHBondContact OG-OE2 2.97Å; S164-D167 PolarHBondContact N-OD2 2.67Å; S164-D167 WeakPolarHBondContact O-CB 3.36Å; S164-D167 PolarHBondContact O-N 3.28Å; S164-D167 VanDerWaalsContact O-N 3.09Å | ||
| 165 | P | 90.4 | Very high | 90.8 | Very high | 11 Ų | 11 | 49.5 Ų | 49.5 | 7% | 0.071 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -55.8 | -25.8 | 176.4 | -25 | 33.1 | 0 | 0 | 0 | 114.5 | C160 D167 F168 V182 I211 R212 | C160-P165 HydrophobicContact CB-CG 4.01Å; P165-D167 PolarHBondContact O-N 3.05Å; P165-F168 WeakPolarHBondContact O-CD2 3.47Å; P165-F168 PolarHBondContact O-N 2.92Å; P165-V182 HydrophobicContact CB-CG1 3.94Å; P165-I211 HydrophobicContact CB-CG2 3.95Å; P165-I211 HydrophobicContact CG-CG2 3.63Å; P165-R212 WeakPolarHBondContact CG-O 3.35Å |
| 166 | E | 90.9 | Very high | 90.7 | Very high | 93 Ų | 93 | 52.2 Ų | 52.2 | 44% | 0.435 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -62.2 | -20.1 | 177.6 | -66.4 | 72.8 | -159.2 | 0 | 0 | 113.5 | S164 F168 K169 | S164-E166 WeakPolarHBondContact CB-OE2 3.37Å; S164-E166 PolarHBondContact O-N 3.1Å; S164-E166 VanDerWaalsContact O-N 3.1Å; S164-E166 PolarHBondContact OG-OE2 2.97Å; E166-F168 PolarHBondContact O-N 3.39Å; E166-K169 HydrophobicContact CB-CD 4.23Å; E166-K169 HydrophobicContact CG-CD 4.36Å; E166-K169 WeakPolarHBondContact O-CB 3.45Å; E166-K169 WeakPolarHBondContact O-CG 3.37Å; E166-K169 PolarHBondContact O-N 2.98Å |
| 167 | D | 92.5 | Very high | 90.3 | Very high | 15 Ų | 15 | 50 Ų | 50 | 8% | 0.08 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -58 | -24 | 177.4 | -69.9 | -33 | 0 | 0 | 0 | 112.1 | T130 L133 K134 V162 N163 S164 P165 | T130-D167 HydrophobicContact CG2-CB 4.49Å; L133-D167 HydrophobicContact CD2-CB 4.28Å; K134-D167 WeakPolarHBondContact CE-O 3.37Å; K134-D167 WeakPolarHBondContact CG-O 3.48Å; V162-D167 WeakPolarHBondContact CA-OD2 3.38Å; V162-D167 PolarHBondContact N-OD2 3.35Å; N163-D167 PolarHBondContact N-OD2 2.65Å; S164-D167 PolarHBondContact N-OD2 2.67Å; S164-D167 WeakPolarHBondContact O-CB 3.36Å; S164-D167 PolarHBondContact O-N 3.28Å; S164-D167 VanDerWaalsContact O-N 3.09Å; P165-D167 PolarHBondContact O-N 3.05Å |
| 168 | F | 91.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -78.9 | -16.5 | 177.3 | -67.1 | -69.5 | 0 | 0 | 0 | 114.4 | L133 Y137 M154 P165 E166 D170 S171 F173 R174 V182 P183 | L133-F168 HydrophobicContact CD1-CE1 4.2Å; L133-F168 HydrophobicContact CD1-CZ 4.35Å; L133-F168 HydrophobicContact CD2-CE1 3.94Å; L133-F168 HydrophobicContact CD2-CZ 3.91Å; L133-F168 HydrophobicContact CG-CE1 4.14Å; L133-F168 HydrophobicContact CG-CZ 4.47Å; Y137-F168 HydrophobicContact CD1-CD1 4.23Å; Y137-F168 AromaticContact CD1-CE1 3.56Å; Y137-F168 HydrophobicContact CD1-CE1 3.56Å; Y137-F168 AromaticContact CE1-CE1 3.79Å; Y137-F168 HydrophobicContact CE1-CE1 3.79Å; Y137-F168 HydrophobicContact CE1-CZ 4.46Å; Y137-F168 HydrophobicContact CG-CE1 4.16Å; M154-F168 HydrophobicContact CE-CZ 4.39Å; M154-F168 HydrophobicContact SD-CE2 4.29Å; M154-F168 HydrophobicContact SD-CZ 3.99Å; P165-F168 WeakPolarHBondContact O-CD2 3.47Å; P165-F168 PolarHBondContact O-N 2.92Å; E166-F168 PolarHBondContact O-N 3.39Å; F168-D170 VanDerWaalsContact C-N 3.26Å; F168-D170 PolarHBondContact O-N 3.17Å; F168-S171 WeakPolarHBondContact CA-OG 3.5Å; F168-S171 WeakPolarHBondContact O-CB 3.28Å; F168-S171 PolarHBondContact O-N 2.92Å; F168-S171 PolarHBondContact O-OG 3.45Å; F168-F173 HydrophobicContact CB-CD1 4.47Å; F168-F173 HydrophobicContact CD1-CD1 4.15Å; F168-R174 WeakPolarHBondContact O-CB 3.45Å; F168-V182 HydrophobicContact CD2-CG1 4.43Å; F168-P183 HydrophobicContact CD1-CG 3.98Å; F168-P183 HydrophobicContact CD2-CG 4.33Å; F168-P183 HydrophobicContact CE1-CG 3.6Å; F168-P183 HydrophobicContact CE2-CG 3.96Å; F168-P183 HydrophobicContact CG-CG 4.33Å; F168-P183 HydrophobicContact CZ-CG 3.59Å |
| 169 | K | 89 | Confident | 89.3 | Confident | 123 Ų | 123 | 57.1 Ų | 57.1 | 54% | 0.535 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -36.3 | -175.7 | -72.5 | 177.4 | 177.2 | 172.3 | 0 | 113.5 | E166 R174 | E166-K169 HydrophobicContact CB-CD 4.23Å; E166-K169 HydrophobicContact CG-CD 4.36Å; E166-K169 WeakPolarHBondContact O-CB 3.45Å; E166-K169 WeakPolarHBondContact O-CG 3.37Å; E166-K169 PolarHBondContact O-N 2.98Å; K169-R174 WeakPolarHBondContact O-CG 3.13Å |
| 170 | D | 86.4 | Confident | 88.9 | Confident | 128 Ų | 128 | 59.6 Ų | 59.6 | 68% | 0.684 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | 38.3 | 179.6 | -52.1 | -50.8 | 0 | 0 | 0 | 111.5 | K134 F168 | K134-D170 IonicContact NZ-OD2 4Å; F168-D170 VanDerWaalsContact C-N 3.26Å; F168-D170 PolarHBondContact O-N 3.17Å |
| 171 | S | 90.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -105.5 | 158.1 | -178 | 69.2 | 0 | 0 | 0 | 0 | 112.4 | K134 F168 F173 R174 L175 | K134-S171 WeakPolarHBondContact O-CA 3.44Å; F168-S171 WeakPolarHBondContact CA-OG 3.5Å; F168-S171 WeakPolarHBondContact O-CB 3.28Å; F168-S171 PolarHBondContact O-N 2.92Å; F168-S171 PolarHBondContact O-OG 3.45Å; S171-F173 PolarHBondContact O-N 3.2Å; S171-R174 PolarHBondContact O-N 2.99Å; S171-R174 PolarHBondContact OG-N 3.31Å; S171-L175 PolarHBondContact O-N 3.21Å |
| 172 | L | 89.4 | Confident | 88.3 | Confident | 63 Ų | 63 | 63.1 Ų | 63.1 | 33% | 0.33 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -55.2 | -38.4 | 171.4 | -167.7 | 161.2 | 0 | 0 | 0 | 111.2 | K134 S135 Q138 R174 L175 N176 | K134-L172 PolarHBondContact O-N 3.43Å; S135-L172 WeakPolarHBondContact O-CD1 3.23Å; Q138-L172 HydrophobicContact CG-CD2 4.03Å; L172-R174 VanDerWaalsContact C-N 3.32Å; L172-R174 PolarHBondContact O-N 2.84Å; L172-L175 WeakPolarHBondContact O-CB 3.46Å; L172-L175 PolarHBondContact O-N 3.35Å; L172-N176 PolarHBondContact O-N 3.2Å |
| 173 | F | 89.8 | Confident | 88 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -53.4 | -45.3 | 172.9 | 167.4 | -99 | 0 | 0 | 0 | 113.4 | Y137 G139 F168 S171 N176 N177 H180 P183 | Y137-F173 HydrophobicContact CD1-CB 3.78Å; Y137-F173 HydrophobicContact CD1-CD2 4.4Å; Y137-F173 HydrophobicContact CD1-CG 4.16Å; Y137-F173 HydrophobicContact CE1-CB 4.2Å; Y137-F173 AromaticContact CE1-CD2 3.99Å; Y137-F173 HydrophobicContact CE1-CD2 3.99Å; Y137-F173 HydrophobicContact CE1-CG 4.07Å; Y137-F173 PolarHBondContact O-N 3.17Å; G139-F173 VanDerWaalsContact CA-CD2 3.46Å; F168-F173 HydrophobicContact CB-CD1 4.47Å; F168-F173 HydrophobicContact CD1-CD1 4.15Å; S171-F173 PolarHBondContact O-N 3.2Å; F173-N176 PolarHBondContact O-N 3.18Å; F173-N177 HydrophobicContact CE2-CB 4.35Å; F173-N177 HydrophobicContact CZ-CB 4.4Å; F173-N177 WeakPolarHBondContact O-CB 3.41Å; F173-N177 PolarHBondContact O-N 3.29Å; F173-N177 PolarHBondContact O-ND2 2.99Å; F173-N177 VanDerWaalsContact O-ND2 3.15Å; F173-H180 HydrophobicContact CE1-CB 4.43Å; F173-H180 HydrophobicContact CZ-CB 4Å; F173-P183 HydrophobicContact CD1-CG 4.19Å; F173-P183 HydrophobicContact CE1-CG 3.99Å; F173-P183 HydrophobicContact CE2-CB 4.29Å; F173-P183 HydrophobicContact CE2-CG 4.32Å; F173-P183 HydrophobicContact CG-CG 4.46Å; F173-P183 HydrophobicContact CZ-CB 4.13Å; F173-P183 HydrophobicContact CZ-CG 4.05Å |
| 174 | R | 88.1 | Confident | 87.7 | Confident | 75 Ų | 75 | 64.2 Ų | 64.2 | 28% | 0.283 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.1 | -33.8 | 179.9 | -179.2 | 63.5 | 169.8 | 172.1 | 4 | 112.6 | F168 K169 S171 L172 N176 N177 Q178 H180 M181 | F168-R174 WeakPolarHBondContact O-CB 3.45Å; K169-R174 WeakPolarHBondContact O-CG 3.13Å; S171-R174 PolarHBondContact O-N 2.99Å; S171-R174 PolarHBondContact OG-N 3.31Å; L172-R174 VanDerWaalsContact C-N 3.32Å; L172-R174 PolarHBondContact O-N 2.84Å; R174-N176 VanDerWaalsContact C-N 3.31Å; R174-N177 CarbonylContact O-C 3.43Å; R174-N177 PolarHBondContact O-N 2.98Å; R174-Q178 PolarHBondContact NH1-O 3.32Å; R174-H180 PolarHBondContact NH1-O 2.03Å; R174-M181 VanDerWaalsContact NH1-CG 3.27Å |
| 175 | L | 86.6 | Confident | 87.4 | Confident | 144 Ų | 144 | 63 Ų | 63 | 75% | 0.754 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.4 | -39.7 | 172.5 | -69.4 | 171.3 | 0 | 0 | 0 | 111.4 | S171 L172 | S171-L175 PolarHBondContact O-N 3.21Å; L172-L175 WeakPolarHBondContact O-CB 3.46Å; L172-L175 PolarHBondContact O-N 3.35Å |
| 176 | N | 85.6 | Confident | 87.4 | Confident | 113 Ų | 113 | 62.4 Ų | 62.4 | 60% | 0.604 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -81.3 | -22.1 | -179 | -153.6 | 36 | 0 | 0 | 0 | 113.2 | L172 F173 R174 | L172-N176 PolarHBondContact O-N 3.2Å; F173-N176 PolarHBondContact O-N 3.18Å; R174-N176 VanDerWaalsContact C-N 3.31Å |
| 177 | N | 83 | Confident | 87.2 | Confident | 49 Ų | 49 | 58.8 Ų | 58.8 | 26% | 0.262 | 29% | 0.293 | S | S | . | . | trans | -131.8 | 85.5 | -177.4 | -60.6 | -86.3 | 0 | 0 | 0 | 111.4 | F173 R174 N179 H180 | F173-N177 HydrophobicContact CE2-CB 4.35Å; F173-N177 HydrophobicContact CZ-CB 4.4Å; F173-N177 WeakPolarHBondContact O-CB 3.41Å; F173-N177 PolarHBondContact O-N 3.29Å; F173-N177 PolarHBondContact O-ND2 2.99Å; F173-N177 VanDerWaalsContact O-ND2 3.15Å; R174-N177 CarbonylContact O-C 3.43Å; R174-N177 PolarHBondContact O-N 2.98Å; N177-N179 VanDerWaalsContact C-N 3.29Å; N177-N179 PolarHBondContact O-N 3.42Å; N177-H180 HydrophobicContact CB-CB 4.23Å; N177-H180 PolarHBondContact O-N 2.92Å; N177-H180 VanDerWaalsContact O-O 3.09Å | ||
| 178 | Q | 79.1 | Confident | 86.3 | Confident | 156 Ų | 156 | 63.6 Ų | 63.6 | 73% | 0.729 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -30.4 | -176.4 | -65.6 | -168.9 | -6.6 | 0 | 0 | 113.9 | R174 | R174-Q178 PolarHBondContact NH1-O 3.32Š|
| 179 | N | 80.3 | Confident | 85 | Confident | 137 Ų | 137 | 73.7 Ų | 73.7 | 73% | 0.733 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -17 | -178.1 | -67.1 | -12.4 | 0 | 0 | 0 | 113.4 | N177 | N177-N179 VanDerWaalsContact C-N 3.29Å; N177-N179 PolarHBondContact O-N 3.42Å |
| 180 | H | 84.8 | Confident | 83.6 | Confident | 51 Ų | 51 | 72.1 Ų | 72.1 | 24% | 0.236 | 35% | 0.35 | C | S | . | . | trans | -108.3 | 121.6 | -178.7 | -59.9 | 162.6 | 0 | 0 | 0 | 110.4 | F173 R174 N177 L205 | F173-H180 HydrophobicContact CE1-CB 4.43Å; F173-H180 HydrophobicContact CZ-CB 4Å; R174-H180 PolarHBondContact NH1-O 2.03Å; N177-H180 HydrophobicContact CB-CB 4.23Å; N177-H180 PolarHBondContact O-N 2.92Å; N177-H180 VanDerWaalsContact O-O 3.09Å; H180-L205 HydrophobicContact CB-CB 4.44Å | ||
| 181 | M | 85.1 | Confident | 82.2 | Confident | 70 Ų | 70 | 71.7 Ų | 71.7 | 35% | 0.345 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -81.4 | -31.2 | 176.3 | -79.2 | -162.3 | -80.3 | 0 | 0 | 112.3 | R174 L205 S206 | R174-M181 VanDerWaalsContact NH1-CG 3.27Å; M181-L205 PolarHBondContact N-O 2.7Å; M181-S206 WeakPolarHBondContact CE-O 2.98Å |
| 182 | V | 88.9 | Confident | 80.3 | Confident | 5 Ų | 5 | 79.3 Ų | 79.3 | 3% | 0.03 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -134.3 | 158.3 | 178.1 | -62.9 | 0 | 0 | 0 | 0 | 110.4 | P165 F168 C186 L205 I211 | P165-V182 HydrophobicContact CB-CG1 3.94Å; F168-V182 HydrophobicContact CD2-CG1 4.43Å; V182-C186 HydrophobicContact CB-CB 4.16Å; V182-C186 HydrophobicContact CG2-CB 4.25Å; V182-L205 VanDerWaalsContact O-CD2 3.29Å; V182-L205 WeakPolarHBondContact O-CD2 3.08Å; V182-I211 HydrophobicContact CG2-CD1 4.37Å; V182-I211 HydrophobicContact CG2-CG1 4.38Å |
| 183 | P | 89.6 | Confident | 78.4 | Confident | 1 Ų | 1 | 79.7 Ų | 79.7 | 1% | 0.006 | 40% | 0.397 | C | S | . | . | trans | -72.7 | 157 | 174.8 | -15 | 30.8 | 0 | 0 | 0 | 112.4 | Y137 F168 F173 A185 C186 | Y137-P183 HydrophobicContact CD1-CG 4.3Å; Y137-P183 HydrophobicContact CE1-CB 3.87Å; Y137-P183 HydrophobicContact CE1-CG 3.3Å; Y137-P183 WeakPolarHBondContact OH-CB 3.03Å; Y137-P183 WeakPolarHBondContact OH-CG 3.28Å; F168-P183 HydrophobicContact CD1-CG 3.98Å; F168-P183 HydrophobicContact CD2-CG 4.33Å; F168-P183 HydrophobicContact CE1-CG 3.6Å; F168-P183 HydrophobicContact CE2-CG 3.96Å; F168-P183 HydrophobicContact CG-CG 4.33Å; F168-P183 HydrophobicContact CZ-CG 3.59Å; F173-P183 HydrophobicContact CD1-CG 4.19Å; F173-P183 HydrophobicContact CE1-CG 3.99Å; F173-P183 HydrophobicContact CE2-CB 4.29Å; F173-P183 HydrophobicContact CE2-CG 4.32Å; F173-P183 HydrophobicContact CG-CG 4.46Å; F173-P183 HydrophobicContact CZ-CB 4.13Å; F173-P183 HydrophobicContact CZ-CG 4.05Å; P183-A185 PolarHBondContact O-N 3.46Å; P183-A185 VanDerWaalsContact O-N 3.16Å; P183-C186 WeakPolarHBondContact O-CB 3.25Å; P183-C186 PolarHBondContact O-N 3.27Å | ||
| 184 | E | 86.9 | Confident | 76.8 | Confident | 76 Ų | 76 | 89.2 Ų | 89.2 | 36% | 0.355 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -56.1 | -33.7 | 176.9 | -177.4 | 177.3 | 175.9 | 0 | 0 | 112.8 | C186 C187 Q201 L205 | E184-C186 PolarHBondContact O-N 2.75Å; E184-C186 VanDerWaalsContact O-N 3.1Å; E184-C187 WeakPolarHBondContact O-CB 3.34Å; E184-C187 PolarHBondContact O-N 3.03Å; E184-Q201 PolarHBondContact OE1-NE2 2.53Å; E184-L205 HydrophobicContact CB-CD2 4.32Å |
| 185 | A | 87.1 | Confident | 75.1 | Confident | 4 Ų | 4 | 94.5 Ų | 94.5 | 3% | 0.033 | 47% | 0.466 | C | S | . | . | G | 310 helix | trans | -62.1 | -16 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | N151 M154 T155 P183 R212 | N151-A185 HydrophobicContact CB-CB 4.06Å; N151-A185 WeakPolarHBondContact OD1-CB 3.26Å; M154-A185 HydrophobicContact CB-CB 4.16Å; M154-A185 HydrophobicContact CE-CB 3.82Å; M154-A185 HydrophobicContact SD-CB 4.5Å; T155-A185 HydrophobicContact CG2-CB 4.11Å; P183-A185 PolarHBondContact O-N 3.46Å; P183-A185 VanDerWaalsContact O-N 3.16Å; A185-R212 PolarHBondContact O-NH1 2.98Å |
| 186 | C | 89 | Confident | 73.4 | Confident | 0 Ų | 0 | 96.8 Ų | 96.8 | 0% | 0 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | -85.8 | -13.2 | 173.2 | -74.6 | 0 | 0 | 0 | 0 | 113.9 | M154 C160 V182 P183 E184 R212 | M154-C186 PolarHBondContact SD-SG 2.93Å; C160-C186 VanDerWaalsContact CA-SG 3.55Å; C160-C186 HydrophobicContact CB-CB 3.65Å; C160-C186 WeakPolarHBondContact CB-SG 3.42Å; C160-C186 WeakPolarHBondContact SG-CB 2.97Å; C160-C186 CovalentContact SG-SG 2.02Å; C160-C186 PolarHBondContact SG-SG 3.24Å; V182-C186 HydrophobicContact CB-CB 4.16Å; V182-C186 HydrophobicContact CG2-CB 4.25Å; P183-C186 WeakPolarHBondContact O-CB 3.25Å; P183-C186 PolarHBondContact O-N 3.27Å; E184-C186 PolarHBondContact O-N 2.75Å; E184-C186 VanDerWaalsContact O-N 3.1Å; C186-R212 WeakPolarHBondContact O-CD 3.34Å; C186-R212 WeakPolarHBondContact O-CG 3.45Å; C186-R212 PolarHBondContact O-N 2.88Å |
| 187 | C | 86.8 | Confident | 72 | Confident | 16 Ų | 16 | 94.2 Ų | 94.2 | 11% | 0.108 | 45% | 0.453 | C | S | . | . | B | Isolated β-bridge | trans | -82.3 | 135.4 | -178.2 | -63.6 | 0 | 0 | 0 | 0 | 110.8 | E184 R189 C204 | E184-C187 WeakPolarHBondContact O-CB 3.34Å; E184-C187 PolarHBondContact O-N 3.03Å; C187-R189 PolarHBondContact O-N 2.89Å; C187-C204 WeakPolarHBondContact CA-SG 3.11Å; C187-C204 HydrophobicContact CB-CB 3.9Å; C187-C204 WeakPolarHBondContact CB-SG 2.92Å; C187-C204 WeakPolarHBondContact SG-CB 3.13Å; C187-C204 CovalentContact SG-SG 2.03Å; C187-C204 PolarHBondContact SG-SG 3.11Å |
| 188 | Q | 74.9 | Confident | 70.5 | Confident | 116 Ų | 116 | 100.1 Ų | 100.1 | 54% | 0.542 | 47% | 0.473 | S | S | . | . | trans | -71.4 | 127.2 | 176.7 | -161.9 | 172.3 | 5.5 | 0 | 0 | 109.4 | I190 V210 | Q188-I190 PolarHBondContact O-N 2.61Å; Q188-V210 HydrophobicContact CB-CG1 3.8Å | ||
| 189 | R | 64.8 | Low | 69.2 | Low | 212 Ų | 212 | 96 Ų | 96 | 80% | 0.8 | 46% | 0.462 | S | S | * | . | trans | -71.1 | 101.2 | 171.6 | -75.8 | -171.4 | -175.1 | 172.2 | 3.6 | 108.8 | C187 P191 | C187-R189 PolarHBondContact O-N 2.89Å; R189-P191 WeakPolarHBondContact O-CD 3.14Å | ||
| 190 | I | 58.9 | Low | 68.5 | Low | 91 Ų | 91 | 91 Ų | 91 | 47% | 0.467 | 44% | 0.437 | S | S | . | . | trans | -79.1 | 117.8 | 170.3 | -56.1 | 170.5 | 0 | 0 | 0 | 107.7 | Q188 Q192 V210 | Q188-I190 PolarHBondContact O-N 2.61Å; I190-Q192 PolarHBondContact O-N 3.15Å; I190-Q192 VanDerWaalsContact O-N 3.12Å; I190-V210 HydrophobicContact CD1-CG1 4.06Å; I190-V210 HydrophobicContact CD1-CG2 4.24Å; I190-V210 HydrophobicContact CG1-CG1 4.38Å | ||
| 191 | P | 56.1 | Low | 67.9 | Low | 119 Ų | 119 | 91.3 Ų | 91.3 | 77% | 0.773 | 44% | 0.439 | S | S | * | . | trans | -84.2 | 83.7 | 178 | 31.9 | -29.2 | 0 | 0 | 0 | 109.5 | R189 | R189-P191 WeakPolarHBondContact O-CD 3.14Š| ||
| 192 | Q | 51.2 | Low | 67.4 | Low | 160 Ų | 160 | 91.6 Ų | 91.6 | 75% | 0.748 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -164.8 | 136.1 | 154.5 | -76.2 | -142.6 | -3 | 0 | 0 | 115.5 | I190 | I190-Q192 PolarHBondContact O-N 3.15Å; I190-Q192 VanDerWaalsContact O-N 3.12Å |
| 193 | S | 50.3 | Low | 66.8 | Low | 71 Ų | 71 | 95.4 Ų | 95.4 | 50% | 0.497 | 46% | 0.457 | S | S | . | . | trans | 50.9 | 113.4 | 164.3 | 67.2 | 0 | 0 | 0 | 0 | 119.4 | E195 R196 | S193-E195 PolarHBondContact O-N 3.28Å; S193-R196 PolarHBondContact O-N 3.26Å; S193-R196 VanDerWaalsContact O-N 3.07Å | ||
| 194 | K | 55.4 | Low | 66.4 | Low | 208 Ų | 208 | 95.5 Ų | 95.5 | 90% | 0.904 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | -21.3 | -173.9 | -80.9 | 178.8 | 172.7 | 179.1 | 0 | 117.4 | ||
| 195 | E | 52.7 | Low | 66.2 | Low | 185 Ų | 185 | 92.2 Ų | 92.2 | 86% | 0.864 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -26.3 | 178.8 | -85.8 | 175.9 | 144.9 | 0 | 0 | 114.5 | S193 | S193-E195 PolarHBondContact O-N 3.28Š|
| 196 | R | 51.7 | Low | 65.9 | Low | 193 Ų | 193 | 94.4 Ų | 94.4 | 73% | 0.728 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -20.5 | 179.3 | -63.3 | -165.3 | -155 | -175.8 | 7.7 | 113.9 | S193 Y198 S199 S200 | S193-R196 PolarHBondContact O-N 3.26Å; S193-R196 VanDerWaalsContact O-N 3.07Å; R196-Y198 PolarHBondContact O-N 3.06Å; R196-S199 PolarHBondContact O-N 3.34Å; R196-S200 PolarHBondContact O-N 3.37Å; R196-S200 PolarHBondContact O-OG 2.8Å; R196-S200 VanDerWaalsContact O-OG 3.1Å |
| 197 | V | 55.4 | Low | 64.9 | Low | 59 Ų | 59 | 95.7 Ų | 95.7 | 36% | 0.358 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.2 | -44.4 | -175.2 | 178 | 0 | 0 | 0 | 0 | 111.7 | S200 Q201 | V197-S200 WeakPolarHBondContact CA-OG 3.44Å; V197-S200 PolarHBondContact O-N 2.98Å; V197-S200 PolarHBondContact O-OG 3.02Å; V197-Q201 VanDerWaalsContact O-CB 3.28Å; V197-Q201 WeakPolarHBondContact O-CB 3.49Å; V197-Q201 PolarHBondContact O-N 3.17Å |
| 198 | Y | 50.7 | Low | 63.8 | Low | 172 Ų | 172 | 101.1 Ų | 101.1 | 68% | 0.675 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.9 | -41 | -178.3 | -141.6 | -84.6 | 0 | 0 | 0 | 112.1 | R196 Q201 E202 | R196-Y198 PolarHBondContact O-N 3.06Å; Y198-Q201 PolarHBondContact O-N 3.44Å; Y198-E202 HydrophobicContact CD1-CG 4.12Å; Y198-E202 HydrophobicContact CE1-CG 4.21Å; Y198-E202 WeakPolarHBondContact O-CG 3.29Å; Y198-E202 PolarHBondContact O-N 2.94Å; Y198-E202 VanDerWaalsContact O-N 3.11Å |
| 199 | S | 52.9 | Low | 63.4 | Low | 71 Ų | 71 | 100.4 Ų | 100.4 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.8 | -35.7 | 179 | -153.4 | 0 | 0 | 0 | 0 | 112 | R196 Q203 | R196-S199 PolarHBondContact O-N 3.34Å; S199-Q203 WeakPolarHBondContact O-CB 3.31Å; S199-Q203 VanDerWaalsContact O-CD 3.22Å; S199-Q203 WeakPolarHBondContact O-CG 3.28Å; S199-Q203 PolarHBondContact O-N 3.12Å; S199-Q203 VanDerWaalsContact O-N 3.17Å |
| 200 | S | 65.7 | Low | 63.7 | Low | 31 Ų | 31 | 91.6 Ų | 91.6 | 22% | 0.217 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -72.2 | -33.1 | 174.5 | 57 | 0 | 0 | 0 | 0 | 113.7 | R196 V197 C204 | R196-S200 PolarHBondContact O-N 3.37Å; R196-S200 PolarHBondContact O-OG 2.8Å; R196-S200 VanDerWaalsContact O-OG 3.1Å; V197-S200 WeakPolarHBondContact CA-OG 3.44Å; V197-S200 PolarHBondContact O-N 2.98Å; V197-S200 PolarHBondContact O-OG 3.02Å; S200-C204 WeakPolarHBondContact O-CB 3.26Å; S200-C204 PolarHBondContact O-N 3.38Å |
| 201 | Q | 71.4 | Confident | 64.7 | Low | 57 Ų | 57 | 88.9 Ų | 88.9 | 27% | 0.266 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.9 | -47.5 | 179.6 | -178.9 | 164.1 | -18.1 | 0 | 0 | 111 | E184 V197 Y198 Q203 C204 L205 | E184-Q201 PolarHBondContact OE1-NE2 2.53Å; V197-Q201 VanDerWaalsContact O-CB 3.28Å; V197-Q201 WeakPolarHBondContact O-CB 3.49Å; V197-Q201 PolarHBondContact O-N 3.17Å; Y198-Q201 PolarHBondContact O-N 3.44Å; Q201-Q203 VanDerWaalsContact C-N 3.29Å; Q201-Q203 PolarHBondContact O-N 3.12Å; Q201-C204 WeakPolarHBondContact O-CB 3.47Å; Q201-C204 PolarHBondContact O-N 3.44Å; Q201-C204 VanDerWaalsContact O-N 3.12Å; Q201-L205 HydrophobicContact CG-CD1 4.11Å; Q201-L205 VanDerWaalsContact O-CG 3.27Å; Q201-L205 WeakPolarHBondContact O-CG 3.46Å; Q201-L205 PolarHBondContact O-N 3.28Å |
| 202 | E | 73.9 | Confident | 65.9 | Low | 76 Ų | 76 | 84.5 Ų | 84.5 | 36% | 0.355 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.5 | -38.1 | 173.7 | -70.2 | -67.9 | 166.9 | 0 | 0 | 112 | Y198 S206 | Y198-E202 HydrophobicContact CD1-CG 4.12Å; Y198-E202 HydrophobicContact CE1-CG 4.21Å; Y198-E202 WeakPolarHBondContact O-CG 3.29Å; Y198-E202 PolarHBondContact O-N 2.94Å; Y198-E202 VanDerWaalsContact O-N 3.11Å; E202-S206 VanDerWaalsContact O-CB 3.23Å; E202-S206 WeakPolarHBondContact O-CB 3.17Å; E202-S206 PolarHBondContact O-N 3.05Å; E202-S206 PolarHBondContact O-OG 2.95Å |
| 203 | Q | 76.4 | Confident | 67.5 | Low | 86 Ų | 86 | 82.9 Ų | 82.9 | 40% | 0.402 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.2 | -37.3 | 173.7 | -76.2 | 169.1 | 15.1 | 0 | 0 | 113 | S199 Q201 S206 G207 N208 | S199-Q203 WeakPolarHBondContact O-CB 3.31Å; S199-Q203 VanDerWaalsContact O-CD 3.22Å; S199-Q203 WeakPolarHBondContact O-CG 3.28Å; S199-Q203 PolarHBondContact O-N 3.12Å; S199-Q203 VanDerWaalsContact O-N 3.17Å; Q201-Q203 VanDerWaalsContact C-N 3.29Å; Q201-Q203 PolarHBondContact O-N 3.12Å; Q203-S206 CarbonylContact O-C 3.49Å; Q203-G207 PolarHBondContact O-N 2.68Å; Q203-G207 VanDerWaalsContact O-N 3.17Å; Q203-N208 PolarHBondContact O-N 2.94Å |
| 204 | C | 82.1 | Confident | 69.4 | Low | 2 Ų | 2 | 84.1 Ų | 84.1 | 1% | 0.014 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -69.3 | -46.8 | 175.3 | 170.9 | 0 | 0 | 0 | 0 | 112 | C187 S200 Q201 S206 G207 V210 | C187-C204 WeakPolarHBondContact CA-SG 3.11Å; C187-C204 HydrophobicContact CB-CB 3.9Å; C187-C204 WeakPolarHBondContact CB-SG 2.92Å; C187-C204 WeakPolarHBondContact SG-CB 3.13Å; C187-C204 CovalentContact SG-SG 2.03Å; C187-C204 PolarHBondContact SG-SG 3.11Å; S200-C204 WeakPolarHBondContact O-CB 3.26Å; S200-C204 PolarHBondContact O-N 3.38Å; Q201-C204 WeakPolarHBondContact O-CB 3.47Å; Q201-C204 PolarHBondContact O-N 3.44Å; Q201-C204 VanDerWaalsContact O-N 3.12Å; C204-S206 PolarHBondContact O-N 3.12Å; C204-G207 WeakPolarHBondContact O-CA 3.43Å; C204-G207 PolarHBondContact O-N 3.1Å; C204-V210 PolarHBondContact SG-O 2.99Å |
| 205 | L | 83.5 | Confident | 71.3 | Confident | 7 Ų | 7 | 74.4 Ų | 74.4 | 4% | 0.037 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.7 | -34 | 176.5 | -66.7 | 169.2 | 0 | 0 | 0 | 111 | H180 M181 V182 E184 Q201 G207 | H180-L205 HydrophobicContact CB-CB 4.44Å; M181-L205 PolarHBondContact N-O 2.7Å; V182-L205 VanDerWaalsContact O-CD2 3.29Å; V182-L205 WeakPolarHBondContact O-CD2 3.08Å; E184-L205 HydrophobicContact CB-CD2 4.32Å; Q201-L205 HydrophobicContact CG-CD1 4.11Å; Q201-L205 VanDerWaalsContact O-CG 3.27Å; Q201-L205 WeakPolarHBondContact O-CG 3.46Å; Q201-L205 PolarHBondContact O-N 3.28Å; L205-G207 VanDerWaalsContact C-N 3.3Å |
| 206 | S | 79.3 | Confident | 73.3 | Confident | 50 Ų | 50 | 65.6 Ų | 65.6 | 35% | 0.35 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 7.7 | 173.7 | -56 | 0 | 0 | 0 | 0 | 114.2 | M181 E202 Q203 C204 N208 | M181-S206 WeakPolarHBondContact CE-O 2.98Å; E202-S206 VanDerWaalsContact O-CB 3.23Å; E202-S206 WeakPolarHBondContact O-CB 3.17Å; E202-S206 PolarHBondContact O-N 3.05Å; E202-S206 PolarHBondContact O-OG 2.95Å; Q203-S206 CarbonylContact O-C 3.49Å; C204-S206 PolarHBondContact O-N 3.12Å; S206-N208 PolarHBondContact O-N 3.45Å |
| 207 | G | 68.7 | Low | 75.3 | Confident | 28 Ų | 28 | 59.5 Ų | 59.5 | 29% | 0.289 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 13.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 118 | Q203 C204 L205 | Q203-G207 PolarHBondContact O-N 2.68Å; Q203-G207 VanDerWaalsContact O-N 3.17Å; C204-G207 WeakPolarHBondContact O-CA 3.43Å; C204-G207 PolarHBondContact O-N 3.1Å; L205-G207 VanDerWaalsContact C-N 3.3Å |
| 208 | N | 64.4 | Low | 77.1 | Confident | 130 Ų | 130 | 57.9 Ų | 57.9 | 70% | 0.695 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -94.5 | -23.9 | -162.7 | -105.1 | -4.5 | 0 | 0 | 0 | 116.5 | Q203 S206 | Q203-N208 PolarHBondContact O-N 2.94Å; S206-N208 PolarHBondContact O-N 3.45Å |
| 209 | T | 65.5 | Low | 79.1 | Confident | 100 Ų | 100 | 50.1 Ų | 50.1 | 61% | 0.613 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -156.2 | -25 | -172.8 | 47.4 | 0 | 0 | 0 | 0 | 118.5 | ||
| 210 | V | 71 | Confident | 81 | Confident | 28 Ų | 28 | 48.6 Ų | 48.6 | 17% | 0.17 | 26% | 0.264 | C | S | . | . | trans | -137.2 | 60 | -168.2 | -159.6 | 0 | 0 | 0 | 0 | 113.6 | Q188 I190 C204 | Q188-V210 HydrophobicContact CB-CG1 3.8Å; I190-V210 HydrophobicContact CD1-CG1 4.06Å; I190-V210 HydrophobicContact CD1-CG2 4.24Å; I190-V210 HydrophobicContact CG1-CG1 4.38Å; C204-V210 PolarHBondContact SG-O 2.99Å | ||
| 211 | I | 80.1 | Confident | 82.1 | Confident | 34 Ų | 34 | 50.1 Ų | 50.1 | 17% | 0.174 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -107.9 | 141.2 | 178.5 | -54.4 | 166.8 | 0 | 0 | 0 | 110.5 | P165 V182 N213 | P165-I211 HydrophobicContact CB-CG2 3.95Å; P165-I211 HydrophobicContact CG-CG2 3.63Å; V182-I211 HydrophobicContact CG2-CD1 4.37Å; V182-I211 HydrophobicContact CG2-CG1 4.38Å; I211-N213 PolarHBondContact O-N 2.92Å; I211-N213 VanDerWaalsContact O-N 3.17Å; I211-N213 PolarHBondContact O-OD1 3.3Å |
| 212 | R | 82.6 | Confident | 83 | Confident | 27 Ų | 27 | 51.3 Ų | 51.3 | 10% | 0.102 | 28% | 0.281 | C | S | . | . | trans | -67.3 | 106.5 | 167.8 | -70.4 | 163.5 | 168.2 | 160.9 | -2.5 | 109.8 | M154 D158 C160 P165 A185 C186 | M154-R212 PolarHBondContact O-NH1 3.28Å; D158-R212 VanDerWaalsContact C-CD 3.48Å; D158-R212 IonicContact OD1-CZ 2.81Å; D158-R212 IonicContact OD1-NE 3.03Å; D158-R212 PolarHBondContact OD1-NE 3.36Å; D158-R212 IonicContact OD1-NH2 3.15Å; D158-R212 PolarHBondContact OD1-NH2 3.22Å; C160-R212 HydrophobicContact CB-CB 4.1Å; C160-R212 WeakPolarHBondContact CB-O 3.36Å; P165-R212 WeakPolarHBondContact CG-O 3.35Å; A185-R212 PolarHBondContact O-NH1 2.98Å; C186-R212 WeakPolarHBondContact O-CD 3.34Å; C186-R212 WeakPolarHBondContact O-CG 3.45Å; C186-R212 PolarHBondContact O-N 2.88Å | ||
| 213 | N | 83.8 | Confident | 83.8 | Confident | 126 Ų | 126 | 53.9 Ų | 53.9 | 67% | 0.674 | 29% | 0.288 | S | S | * | . | trans | -83.6 | -9.2 | -175.6 | -67.8 | -26.2 | 0 | 0 | 0 | 114.4 | I211 | I211-N213 PolarHBondContact O-N 2.92Å; I211-N213 VanDerWaalsContact O-N 3.17Å; I211-N213 PolarHBondContact O-OD1 3.3Å | ||
| 214 | K | 90.6 | Very high | 84.5 | Confident | 97 Ų | 97 | 53.8 Ų | 53.8 | 42% | 0.422 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -79.5 | 127.9 | 177.8 | -169.9 | 176 | -177.6 | 179.1 | 0 | 110 | C159 C160 A219 D222 | C159-K214 CarbonylContact C-O 3.55Å; C159-K214 VanDerWaalsContact CA-O 3.23Å; C159-K214 WeakPolarHBondContact CA-O 3.26Å; C159-K214 VanDerWaalsContact CB-O 3.26Å; C159-K214 WeakPolarHBondContact CB-O 3.39Å; C160-K214 PolarHBondContact N-O 2.02Å; K214-A219 HydrophobicContact CD-CB 3.98Å; K214-A219 HydrophobicContact CG-CB 4.35Å; K214-D222 IonicContact NZ-OD2 2.65Å; K214-D222 PolarHBondContact NZ-OD2 3.42Å |
| 215 | G | 94.1 | Very high | 84.8 | Confident | 3 Ų | 3 | 58 Ų | 58 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | trans | -66.4 | 137.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V162 N163 Y217 S218 A219 | V162-G215 CarbonylContact O-C 3.57Å; V162-G215 WeakPolarHBondContact O-CA 3.42Å; N163-G215 VanDerWaalsContact C-CA 3.48Å; N163-G215 WeakPolarHBondContact O-CA 3.16Å; N163-G215 PolarHBondContact O-N 3.4Å; G215-Y217 VanDerWaalsContact C-N 3.31Å; G215-Y217 PolarHBondContact O-N 2.97Å; G215-S218 PolarHBondContact O-N 3.32Å; G215-S218 PolarHBondContact O-OG 3.2Å; G215-A219 PolarHBondContact O-N 3.32Å; G215-A219 VanDerWaalsContact O-N 3.16Å | ||
| 216 | C | 95.1 | Very high | 85.1 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.007 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.4 | -30 | -176.3 | -69.6 | 0 | 0 | 0 | 0 | 113.9 | W150 I153 C159 G161 V162 S218 A219 V220 | W150-C216 HydrophobicContact CZ3-CB 3.91Å; I153-C216 HydrophobicContact CG2-CB 4Å; C159-C216 HydrophobicContact CB-CB 3.84Å; C159-C216 WeakPolarHBondContact CB-SG 3.48Å; C159-C216 WeakPolarHBondContact SG-CA 3.33Å; C159-C216 WeakPolarHBondContact SG-CB 3.4Å; C159-C216 CovalentContact SG-SG 2.03Å; C159-C216 PolarHBondContact SG-SG 2.84Å; G161-C216 WeakPolarHBondContact O-CB 2.94Å; G161-C216 PolarHBondContact O-N 3.09Å; G161-C216 PolarHBondContact O-SG 3.19Å; G161-C216 VanDerWaalsContact O-SG 3.35Å; V162-C216 PolarHBondContact O-N 3.1Å; C216-S218 PolarHBondContact O-N 3.29Å; C216-A219 PolarHBondContact O-N 3.26Å; C216-V220 WeakPolarHBondContact O-CB 3.02Å; C216-V220 VanDerWaalsContact O-CG2 3.25Å; C216-V220 WeakPolarHBondContact O-CG2 3.33Å; C216-V220 PolarHBondContact O-N 2.83Å |
| 217 | Y | 93.8 | Very high | 85.7 | Confident | 64 Ų | 64 | 67 Ų | 67 | 25% | 0.251 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.1 | -50.7 | 178.3 | -174.2 | -85.5 | 0 | 0 | 0 | 111.2 | L124 R126 F129 V162 G215 V221 | L124-Y217 VanDerWaalsContact O-CE2 3.26Å; L124-Y217 WeakPolarHBondContact O-CE2 3.45Å; L124-Y217 PolarHBondContact O-OH 2.94Å; R126-Y217 HydrophobicContact CG-CD1 3.44Å; R126-Y217 VanDerWaalsContact CG-CD1 3.44Å; R126-Y217 HydrophobicContact CG-CD2 3.89Å; R126-Y217 HydrophobicContact CG-CE1 3.72Å; R126-Y217 HydrophobicContact CG-CE2 4.14Å; R126-Y217 HydrophobicContact CG-CG 3.52Å; R126-Y217 VanDerWaalsContact CZ-CD1 3.5Å; F129-Y217 AromaticContact CD2-CD2 3.95Å; F129-Y217 HydrophobicContact CD2-CD2 3.95Å; F129-Y217 AromaticContact CD2-CE2 3.98Å; F129-Y217 HydrophobicContact CD2-CE2 3.98Å; F129-Y217 HydrophobicContact CE2-CD2 4.43Å; F129-Y217 HydrophobicContact CE2-CE2 4.2Å; V162-Y217 VanDerWaalsContact O-CB 3.29Å; V162-Y217 WeakPolarHBondContact O-CB 3.39Å; V162-Y217 PolarHBondContact O-N 3.5Å; G215-Y217 VanDerWaalsContact C-N 3.31Å; G215-Y217 PolarHBondContact O-N 2.97Å; Y217-V221 HydrophobicContact CD1-CG2 4.11Å; Y217-V221 HydrophobicContact CE1-CG2 3.86Å; Y217-V221 WeakPolarHBondContact O-CB 3.37Å; Y217-V221 WeakPolarHBondContact O-CG2 3.24Å; Y217-V221 PolarHBondContact O-N 2.95Å |
| 218 | S | 92.7 | Very high | 86.6 | Confident | 26 Ų | 26 | 70.9 Ų | 70.9 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.4 | -44 | 174.6 | 28.9 | 0 | 0 | 0 | 0 | 112.1 | G215 C216 V220 V221 D222 | G215-S218 PolarHBondContact O-N 3.32Å; G215-S218 PolarHBondContact O-OG 3.2Å; C216-S218 PolarHBondContact O-N 3.29Å; S218-V220 VanDerWaalsContact C-N 3.32Å; S218-V220 PolarHBondContact O-N 3.46Å; S218-V221 PolarHBondContact O-N 3.07Å; S218-D222 WeakPolarHBondContact O-CB 3.4Å; S218-D222 PolarHBondContact O-N 3.1Å |
| 219 | A | 93.3 | Very high | 87.8 | Confident | 8 Ų | 8 | 72.5 Ų | 72.5 | 7% | 0.066 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.2 | -42.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F157 C159 K214 G215 C216 Y223 | F157-A219 HydrophobicContact CB-CB 4.21Å; C159-A219 HydrophobicContact CB-CB 3.86Å; K214-A219 HydrophobicContact CD-CB 3.98Å; K214-A219 HydrophobicContact CG-CB 4.35Å; G215-A219 PolarHBondContact O-N 3.32Å; G215-A219 VanDerWaalsContact O-N 3.16Å; C216-A219 PolarHBondContact O-N 3.26Å; A219-Y223 VanDerWaalsContact O-CB 3.31Å; A219-Y223 WeakPolarHBondContact O-CB 3.49Å; A219-Y223 PolarHBondContact O-N 3Å; A219-Y223 VanDerWaalsContact O-N 3.14Å |
| 220 | V | 92.3 | Very high | 89.2 | Confident | 39 Ų | 39 | 71.4 Ų | 71.4 | 24% | 0.236 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.7 | -46.3 | 177.4 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | I153 F157 C216 S218 Y223 F224 | I153-V220 HydrophobicContact CG2-CG2 4.03Å; F157-V220 HydrophobicContact CD2-CG2 3.7Å; F157-V220 HydrophobicContact CE2-CG2 3.95Å; F157-V220 HydrophobicContact CG-CG2 4.02Å; F157-V220 HydrophobicContact CZ-CG2 4.46Å; C216-V220 WeakPolarHBondContact O-CB 3.02Å; C216-V220 VanDerWaalsContact O-CG2 3.25Å; C216-V220 WeakPolarHBondContact O-CG2 3.33Å; C216-V220 PolarHBondContact O-N 2.83Å; S218-V220 VanDerWaalsContact C-N 3.32Å; S218-V220 PolarHBondContact O-N 3.46Å; V220-Y223 PolarHBondContact O-N 2.95Å; V220-F224 HydrophobicContact CG1-CD2 3.75Å; V220-F224 HydrophobicContact CG1-CE2 4.03Å; V220-F224 VanDerWaalsContact O-CD2 3.28Å; V220-F224 WeakPolarHBondContact O-CD2 3.47Å; V220-F224 PolarHBondContact O-N 3.4Å |
| 221 | V | 90 | Very high | 90.1 | Very high | 63 Ų | 63 | 72.9 Ų | 72.9 | 38% | 0.382 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61 | -48.5 | 179 | 170 | 0 | 0 | 0 | 0 | 111.1 | Y217 S218 Y223 F224 E225 | Y217-V221 HydrophobicContact CD1-CG2 4.11Å; Y217-V221 HydrophobicContact CE1-CG2 3.86Å; Y217-V221 WeakPolarHBondContact O-CB 3.37Å; Y217-V221 WeakPolarHBondContact O-CG2 3.24Å; Y217-V221 PolarHBondContact O-N 2.95Å; S218-V221 PolarHBondContact O-N 3.07Å; V221-Y223 VanDerWaalsContact C-N 3.26Å; V221-Y223 PolarHBondContact O-N 3.32Å; V221-F224 CarbonylContact O-C 3.59Å; V221-F224 PolarHBondContact O-N 2.91Å; V221-E225 WeakPolarHBondContact O-CA 3.45Å; V221-E225 WeakPolarHBondContact O-CB 3.28Å; V221-E225 PolarHBondContact O-N 2.88Å |
| 222 | D | 91 | Very high | 90.6 | Very high | 83 Ų | 83 | 73 Ų | 73 | 44% | 0.444 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59 | -40.3 | 178.1 | -62.1 | -16.6 | 0 | 0 | 0 | 111.2 | K214 S218 | K214-D222 IonicContact NZ-OD2 2.65Å; K214-D222 PolarHBondContact NZ-OD2 3.42Å; S218-D222 WeakPolarHBondContact O-CB 3.4Å; S218-D222 PolarHBondContact O-N 3.1Å |
| 223 | Y | 90.4 | Very high | 91.1 | Very high | 130 Ų | 130 | 74.2 Ų | 74.2 | 51% | 0.51 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 179.3 | -177.5 | -89.2 | 0 | 0 | 0 | 112.1 | F157 A219 V220 V221 Y227 | F157-Y223 HydrophobicContact CD1-CD2 4.35Å; F157-Y223 HydrophobicContact CD1-CG 4.14Å; F157-Y223 AromaticContact CE1-CD1 3.61Å; F157-Y223 HydrophobicContact CE1-CD1 3.61Å; F157-Y223 HydrophobicContact CE1-CD2 4.01Å; F157-Y223 HydrophobicContact CE1-CE1 4.06Å; F157-Y223 HydrophobicContact CE1-CE2 4.42Å; F157-Y223 AromaticContact CE1-CG 3.58Å; F157-Y223 HydrophobicContact CE1-CG 3.58Å; F157-Y223 HydrophobicContact CZ-CD1 4.32Å; A219-Y223 VanDerWaalsContact O-CB 3.31Å; A219-Y223 WeakPolarHBondContact O-CB 3.49Å; A219-Y223 PolarHBondContact O-N 3Å; A219-Y223 VanDerWaalsContact O-N 3.14Å; V220-Y223 PolarHBondContact O-N 2.95Å; V221-Y223 VanDerWaalsContact C-N 3.26Å; V221-Y223 PolarHBondContact O-N 3.32Å; Y223-Y227 WeakPolarHBondContact O-CD2 3.48Å |
| 224 | F | 90.4 | Very high | 91.6 | Very high | 83 Ų | 83 | 73.3 Ų | 73.3 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -91.4 | -8 | -177.1 | -74.9 | -70 | 0 | 0 | 0 | 114.5 | F157 V220 V221 V226 Y227 I228 | F157-F224 HydrophobicContact CE1-CE2 4.28Å; F157-F224 AromaticContact CZ-CE2 3.8Å; F157-F224 HydrophobicContact CZ-CE2 3.8Å; F157-F224 HydrophobicContact CZ-CZ 4.32Å; V220-F224 HydrophobicContact CG1-CD2 3.75Å; V220-F224 HydrophobicContact CG1-CE2 4.03Å; V220-F224 VanDerWaalsContact O-CD2 3.28Å; V220-F224 WeakPolarHBondContact O-CD2 3.47Å; V220-F224 PolarHBondContact O-N 3.4Å; V221-F224 CarbonylContact O-C 3.59Å; V221-F224 PolarHBondContact O-N 2.91Å; F224-V226 PolarHBondContact O-N 3.38Å; F224-Y227 HydrophobicContact CD1-CD2 4.31Å; F224-Y227 PolarHBondContact O-N 2.86Å; F224-I228 HydrophobicContact CB-CD1 3.97Å; F224-I228 HydrophobicContact CB-CG1 4.3Å; F224-I228 WeakPolarHBondContact O-CG1 3.42Å; F224-I228 PolarHBondContact O-N 2.91Å |
| 225 | E | 89.3 | Confident | 91.7 | Very high | 91 Ų | 91 | 70.9 Ų | 70.9 | 43% | 0.425 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -51.1 | -54 | -173 | -174.7 | 175.1 | -170.6 | 0 | 0 | 111.9 | V221 Y227 I228 Y229 | V221-E225 WeakPolarHBondContact O-CA 3.45Å; V221-E225 WeakPolarHBondContact O-CB 3.28Å; V221-E225 PolarHBondContact O-N 2.88Å; E225-Y227 VanDerWaalsContact C-N 3.33Å; E225-Y227 PolarHBondContact O-N 3.17Å; E225-I228 PolarHBondContact O-N 3.12Å; E225-Y229 HydrophobicContact CG-CD2 3.79Å; E225-Y229 HydrophobicContact CG-CE2 3.51Å; E225-Y229 WeakPolarHBondContact O-CD2 3.06Å; E225-Y229 PolarHBondContact O-N 2.99Å |
| 226 | V | 89.6 | Confident | 91.8 | Very high | 98 Ų | 98 | 76 Ų | 76 | 59% | 0.594 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61.2 | -42.2 | 179.6 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | F224 I228 Y229 V230 | F224-V226 PolarHBondContact O-N 3.38Å; V226-I228 PolarHBondContact O-N 2.88Å; V226-Y229 PolarHBondContact O-N 2.89Å; V226-V230 HydrophobicContact CG1-CG2 4.28Å; V226-V230 WeakPolarHBondContact O-CB 3.47Å; V226-V230 VanDerWaalsContact O-CG2 3.24Å; V226-V230 WeakPolarHBondContact O-CG2 3.03Å; V226-V230 PolarHBondContact O-N 2.95Å |
| 227 | Y | 90.4 | Very high | 91.8 | Very high | 147 Ų | 147 | 79.6 Ų | 79.6 | 58% | 0.576 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -67.1 | -37.6 | -179.5 | -61.9 | -79.4 | 0 | 0 | 0 | 112.1 | Y223 F224 E225 V230 A231 | Y223-Y227 WeakPolarHBondContact O-CD2 3.48Å; F224-Y227 HydrophobicContact CD1-CD2 4.31Å; F224-Y227 PolarHBondContact O-N 2.86Å; E225-Y227 VanDerWaalsContact C-N 3.33Å; E225-Y227 PolarHBondContact O-N 3.17Å; Y227-V230 PolarHBondContact O-N 2.77Å; Y227-A231 WeakPolarHBondContact O-CB 3.32Å; Y227-A231 PolarHBondContact O-N 3.5Å |
| 228 | I | 88.6 | Confident | 91.8 | Very high | 110 Ų | 110 | 79.2 Ų | 79.2 | 56% | 0.564 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.4 | -45.3 | 175.9 | -68.3 | 165.9 | 0 | 0 | 0 | 110.1 | F224 E225 V226 A231 G232 | F224-I228 HydrophobicContact CB-CD1 3.97Å; F224-I228 HydrophobicContact CB-CG1 4.3Å; F224-I228 WeakPolarHBondContact O-CG1 3.42Å; F224-I228 PolarHBondContact O-N 2.91Å; E225-I228 PolarHBondContact O-N 3.12Å; V226-I228 PolarHBondContact O-N 2.88Å; I228-A231 PolarHBondContact O-N 3.25Å; I228-G232 PolarHBondContact O-N 3.17Å |
| 229 | Y | 90.3 | Very high | 91.9 | Very high | 164 Ų | 164 | 80.2 Ų | 80.2 | 64% | 0.643 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -62.5 | -45.2 | 176.7 | -79.8 | -64.7 | 0 | 0 | 0 | 112.2 | E225 V226 G232 A233 | E225-Y229 HydrophobicContact CG-CD2 3.79Å; E225-Y229 HydrophobicContact CG-CE2 3.51Å; E225-Y229 WeakPolarHBondContact O-CD2 3.06Å; E225-Y229 PolarHBondContact O-N 2.99Å; V226-Y229 PolarHBondContact O-N 2.89Å; Y229-G232 PolarHBondContact O-N 3.27Å; Y229-A233 WeakPolarHBondContact O-CB 3.29Å; Y229-A233 PolarHBondContact O-N 3.41Å |
| 230 | V | 93.3 | Very high | 92 | Very high | 78 Ų | 78 | 82.9 Ų | 82.9 | 47% | 0.473 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 177.5 | 171.5 | 0 | 0 | 0 | 0 | 111 | V226 Y227 G232 A233 L234 | V226-V230 HydrophobicContact CG1-CG2 4.28Å; V226-V230 WeakPolarHBondContact O-CB 3.47Å; V226-V230 VanDerWaalsContact O-CG2 3.24Å; V226-V230 WeakPolarHBondContact O-CG2 3.03Å; V226-V230 PolarHBondContact O-N 2.95Å; Y227-V230 PolarHBondContact O-N 2.77Å; V230-G232 PolarHBondContact O-N 2.03Å; V230-A233 PolarHBondContact O-N 3.16Å; V230-L234 HydrophobicContact CG1-CD1 4.05Å; V230-L234 HydrophobicContact CG1-CG 4.42Å; V230-L234 WeakPolarHBondContact O-CG 3.33Å; V230-L234 PolarHBondContact O-N 2.6Å |
| 231 | A | 90.2 | Very high | 92.1 | Very high | 58 Ų | 58 | 84.2 Ų | 84.2 | 48% | 0.479 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y227 I228 L234 A235 | Y227-A231 WeakPolarHBondContact O-CB 3.32Å; Y227-A231 PolarHBondContact O-N 3.5Å; I228-A231 PolarHBondContact O-N 3.25Å; A231-L234 PolarHBondContact O-N 2.93Å; A231-A235 WeakPolarHBondContact O-CB 3.27Å; A231-A235 PolarHBondContact O-N 2.89Å |
| 232 | G | 92.1 | Very high | 92.3 | Very high | 36 Ų | 36 | 81.9 Ų | 81.9 | 37% | 0.371 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I228 Y229 V230 A235 I236 | I228-G232 PolarHBondContact O-N 3.17Å; Y229-G232 PolarHBondContact O-N 3.27Å; V230-G232 PolarHBondContact O-N 2.03Å; G232-A235 PolarHBondContact O-N 3.45Å; G232-I236 WeakPolarHBondContact O-CG1 3.46Å; G232-I236 PolarHBondContact O-N 2.94Å |
| 233 | A | 93.1 | Very high | 92.5 | Very high | 54 Ų | 54 | 82.4 Ų | 82.4 | 45% | 0.446 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y229 V230 I236 V237 | Y229-A233 WeakPolarHBondContact O-CB 3.29Å; Y229-A233 PolarHBondContact O-N 3.41Å; V230-A233 PolarHBondContact O-N 3.16Å; A233-I236 PolarHBondContact O-N 3.44Å; A233-V237 WeakPolarHBondContact O-CG2 3.46Å; A233-V237 PolarHBondContact O-N 3.33Å; A233-V237 VanDerWaalsContact O-N 3.16Å |
| 234 | L | 93.9 | Very high | 92.7 | Very high | 106 Ų | 106 | 82 Ų | 82 | 56% | 0.555 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63 | -41.2 | 176.6 | -70.7 | 174.7 | 0 | 0 | 0 | 111.9 | V230 A231 I236 V237 V238 | V230-L234 HydrophobicContact CG1-CD1 4.05Å; V230-L234 HydrophobicContact CG1-CG 4.42Å; V230-L234 WeakPolarHBondContact O-CG 3.33Å; V230-L234 PolarHBondContact O-N 2.6Å; A231-L234 PolarHBondContact O-N 2.93Å; L234-I236 VanDerWaalsContact C-N 3.33Å; L234-I236 PolarHBondContact O-N 2.79Å; L234-V237 WeakPolarHBondContact O-CB 3.49Å; L234-V237 PolarHBondContact O-N 3.13Å; L234-V237 VanDerWaalsContact O-N 3.16Å; L234-V238 WeakPolarHBondContact O-CG2 3.46Å; L234-V238 PolarHBondContact O-N 2.97Å |
| 235 | A | 92.9 | Very high | 92.8 | Very high | 46 Ų | 46 | 78.9 Ų | 78.9 | 38% | 0.38 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | A231 G232 V237 V238 L239 | A231-A235 WeakPolarHBondContact O-CB 3.27Å; A231-A235 PolarHBondContact O-N 2.89Å; G232-A235 PolarHBondContact O-N 3.45Å; A235-V237 VanDerWaalsContact C-N 3.34Å; A235-V237 PolarHBondContact O-N 3.27Å; A235-V238 PolarHBondContact O-N 3.17Å; A235-L239 WeakPolarHBondContact O-CG 2.81Å; A235-L239 PolarHBondContact O-N 3.07Å |
| 236 | I | 94.3 | Very high | 93.1 | Very high | 112 Ų | 112 | 75.3 Ų | 75.3 | 57% | 0.574 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62 | -43.5 | 175.6 | -65.2 | 166.3 | 0 | 0 | 0 | 110.7 | G232 A233 L234 L239 T240 | G232-I236 WeakPolarHBondContact O-CG1 3.46Å; G232-I236 PolarHBondContact O-N 2.94Å; A233-I236 PolarHBondContact O-N 3.44Å; L234-I236 VanDerWaalsContact C-N 3.33Å; L234-I236 PolarHBondContact O-N 2.79Å; I236-L239 PolarHBondContact O-N 3.06Å; I236-T240 WeakPolarHBondContact O-CG2 3.49Å; I236-T240 PolarHBondContact O-N 3.42Å; I236-T240 VanDerWaalsContact O-N 3.08Å; I236-T240 PolarHBondContact O-OG1 2.98Å |
| 237 | V | 95.4 | Very high | 93.3 | Very high | 76 Ų | 76 | 74 Ų | 74 | 46% | 0.461 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 177.1 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | A233 L234 A235 T240 I241 | A233-V237 WeakPolarHBondContact O-CG2 3.46Å; A233-V237 PolarHBondContact O-N 3.33Å; A233-V237 VanDerWaalsContact O-N 3.16Å; L234-V237 WeakPolarHBondContact O-CB 3.49Å; L234-V237 PolarHBondContact O-N 3.13Å; L234-V237 VanDerWaalsContact O-N 3.16Å; A235-V237 VanDerWaalsContact C-N 3.34Å; A235-V237 PolarHBondContact O-N 3.27Å; V237-T240 PolarHBondContact O-N 2.66Å; V237-T240 PolarHBondContact O-OG1 3.45Å; V237-I241 HydrophobicContact CG1-CD1 3.8Å; V237-I241 HydrophobicContact CG1-CG1 4.45Å; V237-I241 WeakPolarHBondContact O-CG1 3.18Å; V237-I241 PolarHBondContact O-N 3.36Å |
| 238 | V | 94.1 | Very high | 93.4 | Very high | 56 Ų | 56 | 70.1 Ų | 70.1 | 34% | 0.339 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.6 | -51.5 | 177.7 | 173.7 | 0 | 0 | 0 | 0 | 111 | E110 L234 A235 T240 I241 E242 | E110-V238 WeakPolarHBondContact OE1-CG1 3.08Å; L234-V238 WeakPolarHBondContact O-CG2 3.46Å; L234-V238 PolarHBondContact O-N 2.97Å; A235-V238 PolarHBondContact O-N 3.17Å; V238-T240 VanDerWaalsContact C-N 3.26Å; V238-T240 PolarHBondContact O-N 3.21Å; V238-I241 WeakPolarHBondContact O-CB 3.49Å; V238-I241 PolarHBondContact O-N 2.89Å; V238-E242 HydrophobicContact CG1-CG 4.26Å; V238-E242 WeakPolarHBondContact O-CG 3.42Å; V238-E242 PolarHBondContact O-N 2.67Å |
| 239 | L | 95.4 | Very high | 93.5 | Very high | 46 Ų | 46 | 64.9 Ų | 64.9 | 24% | 0.241 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -55.6 | -39.9 | 177.9 | -71.7 | 169.5 | 0 | 0 | 0 | 112.7 | F107 E110 A235 I236 L243 | F107-L239 HydrophobicContact CD2-CD2 3.64Å; F107-L239 HydrophobicContact CE2-CB 4.43Å; F107-L239 HydrophobicContact CE2-CD2 3.64Å; E110-L239 HydrophobicContact CB-CD2 4Å; E110-L239 VanDerWaalsContact OE2-CD2 3.27Å; E110-L239 WeakPolarHBondContact OE2-CD2 3.41Å; A235-L239 WeakPolarHBondContact O-CG 2.81Å; A235-L239 PolarHBondContact O-N 3.07Å; I236-L239 PolarHBondContact O-N 3.06Å; L239-L243 PolarHBondContact O-N 3.39Å; L239-L243 VanDerWaalsContact O-N 3.08Å |
| 240 | T | 95.2 | Very high | 93.6 | Very high | 65 Ų | 65 | 60.1 Ų | 60.1 | 40% | 0.399 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 176.3 | 59.6 | 0 | 0 | 0 | 0 | 112.3 | I236 V237 V238 L243 F244 | I236-T240 WeakPolarHBondContact O-CG2 3.49Å; I236-T240 PolarHBondContact O-N 3.42Å; I236-T240 VanDerWaalsContact O-N 3.08Å; I236-T240 PolarHBondContact O-OG1 2.98Å; V237-T240 PolarHBondContact O-N 2.66Å; V237-T240 PolarHBondContact O-OG1 3.45Å; V238-T240 VanDerWaalsContact C-N 3.26Å; V238-T240 PolarHBondContact O-N 3.21Å; T240-L243 PolarHBondContact O-N 2.96Å; T240-F244 WeakPolarHBondContact O-CD2 3.21Å; T240-F244 PolarHBondContact O-N 3.29Å; T240-F244 VanDerWaalsContact O-N 3.07Å |
| 241 | I | 93.7 | Very high | 93.4 | Very high | 66 Ų | 66 | 58.9 Ų | 58.9 | 34% | 0.338 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 177.4 | -70.8 | 170.5 | 0 | 0 | 0 | 110.6 | F28 V237 V238 L243 F244 A245 | F28-I241 HydrophobicContact CE1-CG2 3.69Å; F28-I241 HydrophobicContact CZ-CD1 4.48Å; F28-I241 HydrophobicContact CZ-CG2 3.55Å; V237-I241 HydrophobicContact CG1-CD1 3.8Å; V237-I241 HydrophobicContact CG1-CG1 4.45Å; V237-I241 WeakPolarHBondContact O-CG1 3.18Å; V237-I241 PolarHBondContact O-N 3.36Å; V238-I241 WeakPolarHBondContact O-CB 3.49Å; V238-I241 PolarHBondContact O-N 2.89Å; I241-L243 VanDerWaalsContact C-N 3.33Å; I241-L243 PolarHBondContact O-N 3.19Å; I241-F244 PolarHBondContact O-N 3.11Å; I241-A245 WeakPolarHBondContact O-CB 3.32Å; I241-A245 PolarHBondContact O-N 3.32Å |
| 242 | E | 95.2 | Very high | 93.3 | Very high | 15 Ų | 15 | 56.7 Ų | 56.7 | 7% | 0.07 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 177.2 | -69.9 | -171.3 | 153.2 | 0 | 0 | 112.1 | I103 I106 F107 V238 F244 A245 M246 | I103-E242 HydrophobicContact CG2-CB 3.85Å; I103-E242 HydrophobicContact CG2-CG 4.12Å; I106-E242 WeakPolarHBondContact CG2-OE1 3.37Å; F107-E242 VanDerWaalsContact CA-OE2 3.25Å; F107-E242 WeakPolarHBondContact CA-OE2 3.07Å; F107-E242 WeakPolarHBondContact CB-OE2 3.38Å; F107-E242 HydrophobicContact CD2-CB 4.4Å; F107-E242 PolarHBondContact N-OE2 2.86Å; V238-E242 HydrophobicContact CG1-CG 4.26Å; V238-E242 WeakPolarHBondContact O-CG 3.42Å; V238-E242 PolarHBondContact O-N 2.67Å; E242-F244 PolarHBondContact O-N 2.96Å; E242-A245 PolarHBondContact O-N 3.01Å; E242-M246 WeakPolarHBondContact O-CB 3.41Å; E242-M246 WeakPolarHBondContact O-CG 3.44Å; E242-M246 PolarHBondContact O-N 3.45Å |
| 243 | L | 95.6 | Very high | 93.2 | Very high | 94 Ų | 94 | 58 Ų | 58 | 49% | 0.492 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.4 | -47.4 | 175.5 | -173.9 | 72 | 0 | 0 | 0 | 111.4 | L239 T240 I241 M246 V247 | L239-L243 PolarHBondContact O-N 3.39Å; L239-L243 VanDerWaalsContact O-N 3.08Å; T240-L243 PolarHBondContact O-N 2.96Å; I241-L243 VanDerWaalsContact C-N 3.33Å; I241-L243 PolarHBondContact O-N 3.19Å; L243-M246 HydrophobicContact CD1-CE 4.4Å; L243-M246 PolarHBondContact O-N 2.98Å; L243-V247 WeakPolarHBondContact O-CG2 3.07Å; L243-V247 PolarHBondContact O-N 3.44Å |
| 244 | F | 93.8 | Very high | 93 | Very high | 122 Ų | 122 | 65.4 Ų | 65.4 | 54% | 0.535 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 176.2 | -76.5 | -64.8 | 0 | 0 | 0 | 112 | T240 I241 E242 M246 V247 F248 | T240-F244 WeakPolarHBondContact O-CD2 3.21Å; T240-F244 PolarHBondContact O-N 3.29Å; T240-F244 VanDerWaalsContact O-N 3.07Å; I241-F244 PolarHBondContact O-N 3.11Å; E242-F244 PolarHBondContact O-N 2.96Å; F244-M246 VanDerWaalsContact C-N 3.34Å; F244-M246 PolarHBondContact O-N 2.91Å; F244-V247 PolarHBondContact O-N 2.84Å; F244-F248 HydrophobicContact CB-CE2 4.22Å; F244-F248 HydrophobicContact CD1-CZ 4.33Å; F244-F248 WeakPolarHBondContact O-CB 3.36Å; F244-F248 WeakPolarHBondContact O-CD2 3.14Å; F244-F248 WeakPolarHBondContact O-CG 3.23Å; F244-F248 PolarHBondContact O-N 2.94Å |
| 245 | A | 93.1 | Very high | 92.4 | Very high | 16 Ų | 16 | 62.2 Ų | 62.2 | 13% | 0.132 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | F99 I241 E242 F248 A249 | F99-A245 HydrophobicContact CE1-CB 4.43Å; F99-A245 HydrophobicContact CZ-CB 4.37Å; I241-A245 WeakPolarHBondContact O-CB 3.32Å; I241-A245 PolarHBondContact O-N 3.32Å; E242-A245 PolarHBondContact O-N 3.01Å; A245-F248 PolarHBondContact O-N 3.24Å; A245-A249 VanDerWaalsContact O-CB 3.27Å; A245-A249 WeakPolarHBondContact O-CB 3.39Å; A245-A249 PolarHBondContact O-N 3.19Å |
| 246 | M | 95.2 | Very high | 92 | Very high | 17 Ų | 17 | 61.1 Ų | 61.1 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.9 | -45 | 174.8 | -77.5 | -170.9 | -73.1 | 0 | 0 | 112.1 | F100 I103 L104 F107 E242 L243 F244 A249 M250 | F100-M246 HydrophobicContact CD2-CB 3.99Å; F100-M246 HydrophobicContact CD2-CG 3.97Å; F100-M246 HydrophobicContact CE2-CB 3.76Å; F100-M246 HydrophobicContact CE2-CG 3.89Å; F100-M246 HydrophobicContact CE2-SD 4.23Å; I103-M246 HydrophobicContact CB-CG 4.21Å; I103-M246 HydrophobicContact CG2-CG 3.67Å; I103-M246 HydrophobicContact CG2-SD 4.29Å; L104-M246 HydrophobicContact CB-SD 4.07Å; L104-M246 HydrophobicContact CD1-SD 3.99Å; F107-M246 HydrophobicContact CB-CE 4.19Å; F107-M246 HydrophobicContact CD1-CE 4.48Å; F107-M246 HydrophobicContact CD2-CE 4.11Å; F107-M246 HydrophobicContact CG-CE 4Å; E242-M246 WeakPolarHBondContact O-CB 3.41Å; E242-M246 WeakPolarHBondContact O-CG 3.44Å; E242-M246 PolarHBondContact O-N 3.45Å; L243-M246 HydrophobicContact CD1-CE 4.4Å; L243-M246 PolarHBondContact O-N 2.98Å; F244-M246 VanDerWaalsContact C-N 3.34Å; F244-M246 PolarHBondContact O-N 2.91Å; M246-A249 PolarHBondContact O-N 2.63Å; M246-M250 WeakPolarHBondContact O-CG 3.33Å; M246-M250 PolarHBondContact O-N 3.48Å |
| 247 | V | 93.6 | Very high | 90.4 | Very high | 71 Ų | 71 | 67.2 Ų | 67.2 | 43% | 0.43 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.5 | -48.9 | 176.8 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | L243 F244 A249 M250 C251 | L243-V247 WeakPolarHBondContact O-CG2 3.07Å; L243-V247 PolarHBondContact O-N 3.44Å; F244-V247 PolarHBondContact O-N 2.84Å; V247-A249 PolarHBondContact O-N 3.47Å; V247-M250 PolarHBondContact O-N 3.15Å; V247-C251 WeakPolarHBondContact O-CB 3.07Å; V247-C251 PolarHBondContact O-N 3.28Å; V247-C251 PolarHBondContact O-SG 2.85Å |
| 248 | F | 91.9 | Very high | 90.1 | Very high | 64 Ų | 64 | 66.8 Ų | 66.8 | 28% | 0.281 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 179.5 | -64.9 | -21.9 | 0 | 0 | 0 | 112.4 | I21 F244 A245 M250 C251 L252 | I21-F248 HydrophobicContact CG1-CD1 4.47Å; I21-F248 HydrophobicContact CG2-CB 3.78Å; I21-F248 HydrophobicContact CG2-CD1 3.92Å; I21-F248 HydrophobicContact CG2-CG 3.88Å; F244-F248 HydrophobicContact CB-CE2 4.22Å; F244-F248 HydrophobicContact CD1-CZ 4.33Å; F244-F248 WeakPolarHBondContact O-CB 3.36Å; F244-F248 WeakPolarHBondContact O-CD2 3.14Å; F244-F248 WeakPolarHBondContact O-CG 3.23Å; F244-F248 PolarHBondContact O-N 2.94Å; A245-F248 PolarHBondContact O-N 3.24Å; F248-M250 VanDerWaalsContact C-N 3.33Å; F248-M250 PolarHBondContact O-N 3.13Å; F248-C251 PolarHBondContact O-N 3.03Å; F248-L252 WeakPolarHBondContact O-CB 3.34Å; F248-L252 WeakPolarHBondContact O-CG 3.48Å; F248-L252 PolarHBondContact O-N 3.19Å |
| 249 | A | 91.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.008 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.2 | -43 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | M25 L96 F99 F100 A245 M246 V247 F253 | M25-A249 HydrophobicContact CE-CB 4.41Å; L96-A249 HydrophobicContact CD1-CB 4.15Å; L96-A249 VanDerWaalsContact CD2-O 3.24Å; L96-A249 WeakPolarHBondContact CD2-O 3.37Å; L96-A249 HydrophobicContact CG-CB 4.28Å; F99-A249 HydrophobicContact CD1-CB 4.04Å; F99-A249 HydrophobicContact CE1-CB 4.24Å; F100-A249 HydrophobicContact CB-CB 4.35Å; A245-A249 VanDerWaalsContact O-CB 3.27Å; A245-A249 WeakPolarHBondContact O-CB 3.39Å; A245-A249 PolarHBondContact O-N 3.19Å; M246-A249 PolarHBondContact O-N 2.63Å; V247-A249 PolarHBondContact O-N 3.47Å; A249-F253 VanDerWaalsContact O-CB 3.27Å; A249-F253 WeakPolarHBondContact O-CB 3.49Å; A249-F253 PolarHBondContact O-N 3.35Å |
| 250 | M | 91.3 | Very high | 89.6 | Confident | 64 Ų | 64 | 68.6 Ų | 68.6 | 32% | 0.315 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.9 | -38.2 | 177.8 | -73.6 | -61.4 | -67.7 | 0 | 0 | 113.2 | F100 M246 V247 F248 F253 R254 | F100-M250 HydrophobicContact CD2-CG 3.76Å; F100-M250 HydrophobicContact CD2-SD 4.13Å; F100-M250 HydrophobicContact CE2-CG 3.56Å; F100-M250 HydrophobicContact CE2-SD 4.1Å; F100-M250 HydrophobicContact CG-SD 4.41Å; F100-M250 HydrophobicContact CZ-CG 4.27Å; F100-M250 HydrophobicContact CZ-SD 4.37Å; M246-M250 WeakPolarHBondContact O-CG 3.33Å; M246-M250 PolarHBondContact O-N 3.48Å; V247-M250 PolarHBondContact O-N 3.15Å; F248-M250 VanDerWaalsContact C-N 3.33Å; F248-M250 PolarHBondContact O-N 3.13Å; M250-F253 PolarHBondContact O-N 3.34Å; M250-R254 WeakPolarHBondContact O-CG 3.48Å; M250-R254 PolarHBondContact O-N 3.34Å; M250-R254 VanDerWaalsContact O-N 3.07Å |
| 251 | C | 90.1 | Very high | 89.3 | Confident | 51 Ų | 51 | 68.8 Ų | 68.8 | 35% | 0.345 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.6 | -48.1 | 173.9 | -72.9 | 0 | 0 | 0 | 0 | 111.2 | V247 F248 R254 G255 | V247-C251 WeakPolarHBondContact O-CB 3.07Å; V247-C251 PolarHBondContact O-N 3.28Å; V247-C251 PolarHBondContact O-SG 2.85Å; F248-C251 PolarHBondContact O-N 3.03Å; C251-R254 PolarHBondContact O-N 3.28Å; C251-G255 PolarHBondContact O-N 3.24Å |
| 252 | L | 88.2 | Confident | 89 | Confident | 13 Ų | 13 | 68.9 Ų | 68.9 | 7% | 0.068 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 176.5 | -72.2 | 174.4 | 0 | 0 | 0 | 111.7 | L18 I21 K22 M25 L96 F248 R254 G255 I256 | L18-L252 HydrophobicContact CD2-CD2 4.31Å; I21-L252 HydrophobicContact CG2-CD1 4.23Å; I21-L252 HydrophobicContact CG2-CD2 4.34Å; I21-L252 HydrophobicContact CG2-CG 4.04Å; K22-L252 HydrophobicContact CB-CD2 3.9Å; M25-L252 HydrophobicContact CB-CD1 4.36Å; M25-L252 HydrophobicContact SD-CD1 3.49Å; M25-L252 WeakPolarHBondContact SD-CD1 3.42Å; L96-L252 HydrophobicContact CD2-CB 3.72Å; F248-L252 WeakPolarHBondContact O-CB 3.34Å; F248-L252 WeakPolarHBondContact O-CG 3.48Å; F248-L252 PolarHBondContact O-N 3.19Å; L252-R254 VanDerWaalsContact C-N 3.27Å; L252-R254 PolarHBondContact O-N 3.31Å; L252-G255 PolarHBondContact O-N 3.48Å; L252-G255 VanDerWaalsContact O-N 3.11Å; L252-I256 WeakPolarHBondContact O-CD1 3.18Å; L252-I256 WeakPolarHBondContact O-CG1 3.49Å; L252-I256 PolarHBondContact O-N 3.2Å |
| 253 | F | 89.3 | Confident | 88.6 | Confident | 64 Ų | 64 | 72.5 Ų | 72.5 | 28% | 0.281 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.7 | -41.4 | 177.6 | -178.9 | -87.8 | 0 | 0 | 0 | 112.1 | K93 L96 L97 A249 M250 | K93-F253 HydrophobicContact CB-CD2 3.99Å; K93-F253 HydrophobicContact CB-CE2 3.64Å; K93-F253 HydrophobicContact CB-CZ 4.43Å; K93-F253 HydrophobicContact CG-CD2 4.22Å; K93-F253 HydrophobicContact CG-CE2 4.13Å; K93-F253 WeakPolarHBondContact O-CE2 3.33Å; L96-F253 HydrophobicContact CD2-CB 3.82Å; L96-F253 VanDerWaalsContact CD2-N 3.27Å; L97-F253 HydrophobicContact CB-CE2 4.25Å; A249-F253 VanDerWaalsContact O-CB 3.27Å; A249-F253 WeakPolarHBondContact O-CB 3.49Å; A249-F253 PolarHBondContact O-N 3.35Å; M250-F253 PolarHBondContact O-N 3.34Å |
| 254 | R | 88 | Confident | 88.1 | Confident | 209 Ų | 209 | 71 Ų | 71 | 79% | 0.789 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -75.1 | -31.2 | 176.8 | -72.7 | -177.8 | 169.6 | 179.2 | -1.7 | 113.3 | M250 C251 L252 | M250-R254 WeakPolarHBondContact O-CG 3.48Å; M250-R254 PolarHBondContact O-N 3.34Å; M250-R254 VanDerWaalsContact O-N 3.07Å; C251-R254 PolarHBondContact O-N 3.28Å; L252-R254 VanDerWaalsContact C-N 3.27Å; L252-R254 PolarHBondContact O-N 3.31Å |
| 255 | G | 83.1 | Confident | 87.7 | Confident | 38 Ų | 38 | 67.1 Ų | 67.1 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -76.7 | -23.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | C251 L252 Q257 | C251-G255 PolarHBondContact O-N 3.24Å; L252-G255 PolarHBondContact O-N 3.48Å; L252-G255 VanDerWaalsContact O-N 3.11Å; G255-Q257 PolarHBondContact O-N 2.76Å |
| 256 | I | 83.2 | Confident | 87.2 | Confident | 24 Ų | 24 | 71.3 Ų | 71.3 | 12% | 0.123 | 35% | 0.353 | C | S | . | . | trans | -72.7 | 119.7 | 174.5 | -62.2 | 157 | 0 | 0 | 0 | 108.4 | E91 K93 L96 L252 | E91-I256 HydrophobicContact CB-CD1 4.03Å; E91-I256 HydrophobicContact CB-CG1 3.95Å; E91-I256 HydrophobicContact CB-CG2 4.16Å; E91-I256 HydrophobicContact CG-CG1 4.24Å; E91-I256 WeakPolarHBondContact O-CG2 3.45Å; K93-I256 HydrophobicContact CD-CG2 4.48Å; K93-I256 WeakPolarHBondContact CE-O 3.39Å; K93-I256 HydrophobicContact CG-CB 4.33Å; K93-I256 HydrophobicContact CG-CD1 4.47Å; K93-I256 HydrophobicContact CG-CG2 4.15Å; K93-I256 PolarHBondContact NZ-O 3.02Å; L96-I256 HydrophobicContact CD2-CD1 4.1Å; L252-I256 WeakPolarHBondContact O-CD1 3.18Å; L252-I256 WeakPolarHBondContact O-CG1 3.49Å; L252-I256 PolarHBondContact O-N 3.2Å | ||
| 257 | Q | 61 | Low | 86.5 | Confident | 240 Ų | 240 | 76.3 Ų | 76.3 | 100% | 1.122 | 38% | 0.378 | S | S | * | . | trans | -75.6 | 0 | 173.4 | -76 | 179 | -30.9 | 0 | 0 | 110.5 | K93 G255 | K93-Q257 PolarHBondContact NZ-OXT 2.93Å; G255-Q257 PolarHBondContact O-N 2.76Å |
Retrieved 257 of 257 residues in 151.2 ms
(Link to these results)