| 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 | 36 | Very low | 52.7 | Low | 244 Ų | 244 | 106.4 Ų | 106.4 | 100% | 1.202 | 64% | 0.637 | S | S | * | * | 0 | 108.2 | 0 | -77.1 | 171.9 | 176.9 | 0 | 0 | 106.5 | S3 | M1-S3 PolarHBondContact O-N 3.23Š| |||
| 2 | G | 44.4 | Very low | 54 | Low | 76 Ų | 76 | 105.3 Ų | 105.3 | 78% | 0.784 | 63% | 0.634 | S | S | * | * | trans | -59.7 | 122.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 3 | S | 46.5 | Very low | 55.7 | Low | 61 Ų | 61 | 101.8 Ų | 101.8 | 43% | 0.427 | 62% | 0.624 | S | S | . | * | trans | -58.4 | 128 | 171.7 | -177.4 | 0 | 0 | 0 | 0 | 107.2 | M1 A5 D6 | M1-S3 PolarHBondContact O-N 3.23Å; S3-A5 PolarHBondContact O-N 2.74Å; S3-D6 PolarHBondContact O-N 3.21Å | ||
| 4 | P | 54 | Low | 57 | Low | 116 Ų | 116 | 97.9 Ų | 97.9 | 75% | 0.753 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -5.6 | 177.9 | 22.8 | -31.6 | 0 | 0 | 0 | 113.3 | ||
| 5 | A | 56.4 | Low | 57.9 | Low | 71 Ų | 71 | 92.9 Ų | 92.9 | 59% | 0.587 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -24.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S3 | S3-A5 PolarHBondContact O-N 2.74Š|
| 6 | D | 52.7 | Low | 59.1 | Low | 106 Ų | 106 | 95.8 Ų | 95.8 | 57% | 0.567 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -23.1 | -173.1 | -59.8 | -35.8 | 0 | 0 | 0 | 113.2 | S3 I8 T9 | S3-D6 PolarHBondContact O-N 3.21Å; D6-I8 PolarHBondContact O-N 3.3Å; D6-T9 PolarHBondContact O-N 3Å; D6-T9 PolarHBondContact O-OG1 2.9Å |
| 7 | L | 52.2 | Low | 60.3 | Low | 160 Ų | 160 | 97.5 Ų | 97.5 | 84% | 0.838 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -13.8 | -178.4 | -80.7 | 165.4 | 0 | 0 | 0 | 113.9 | ||
| 8 | I | 56.3 | Low | 61.4 | Low | 64 Ų | 64 | 95.1 Ų | 95.1 | 33% | 0.328 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113.3 | 62.6 | 167 | -38 | 172.4 | 0 | 0 | 0 | 106.4 | D6 Y10 K72 | D6-I8 PolarHBondContact O-N 3.3Å; I8-Y10 HydrophobicContact CB-CE2 4.07Å; I8-Y10 HydrophobicContact CG2-CD2 4.14Å; I8-Y10 HydrophobicContact CG2-CE1 4.25Å; I8-Y10 HydrophobicContact CG2-CE2 3.67Å; I8-Y10 WeakPolarHBondContact O-CD2 3.42Å; I8-Y10 PolarHBondContact O-N 3.06Å; I8-K72 HydrophobicContact CG2-CG 3.73Å |
| 9 | T | 53.7 | Low | 62.3 | Low | 122 Ų | 122 | 93.9 Ų | 93.9 | 75% | 0.748 | 56% | 0.557 | S | S | * | * | trans | -60.5 | 90.2 | 167.7 | -59.8 | 0 | 0 | 0 | 0 | 107.2 | D6 S11 | D6-T9 PolarHBondContact O-N 3Å; D6-T9 PolarHBondContact O-OG1 2.9Å; T9-S11 PolarHBondContact O-N 3.39Å | ||
| 10 | Y | 58.8 | Low | 63.3 | Low | 89 Ų | 89 | 91.4 Ų | 91.4 | 35% | 0.349 | 55% | 0.548 | S | S | . | . | trans | -60.1 | 110.5 | 169.1 | -70.4 | -88.2 | 0 | 0 | 0 | 106.2 | I8 P12 N71 K72 | I8-Y10 HydrophobicContact CB-CE2 4.07Å; I8-Y10 HydrophobicContact CG2-CD2 4.14Å; I8-Y10 HydrophobicContact CG2-CE1 4.25Å; I8-Y10 HydrophobicContact CG2-CE2 3.67Å; I8-Y10 WeakPolarHBondContact O-CD2 3.42Å; I8-Y10 PolarHBondContact O-N 3.06Å; Y10-P12 WeakPolarHBondContact O-CD 3.1Å; Y10-P12 VanDerWaalsContact O-N 3.12Å; Y10-N71 PolarHBondContact OH-O 2.93Å; Y10-K72 WeakPolarHBondContact CE1-O 3.49Å; Y10-K72 WeakPolarHBondContact OH-CA 3.46Å | ||
| 11 | S | 68.4 | Low | 64.3 | Low | 61 Ų | 61 | 91.4 Ų | 91.4 | 43% | 0.427 | 54% | 0.544 | S | S | . | . | trans | -66.2 | 110.2 | 163.2 | 170.3 | 0 | 0 | 0 | 0 | 106.4 | T9 A13 A14 A15 | T9-S11 PolarHBondContact O-N 3.39Å; S11-A13 PolarHBondContact O-N 2.74Å; S11-A14 PolarHBondContact O-N 2.82Å; S11-A14 PolarHBondContact OG-N 3.03Å; S11-A15 PolarHBondContact O-N 3.49Å; S11-A15 VanDerWaalsContact O-N 3.1Å | ||
| 12 | P | 68.9 | Low | 66.6 | Low | 93 Ų | 93 | 80.5 Ų | 80.5 | 60% | 0.604 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.7 | -32.7 | 179.2 | 24.8 | -33.9 | 0 | 0 | 0 | 110.6 | Y10 A15 Q16 | Y10-P12 WeakPolarHBondContact O-CD 3.1Å; Y10-P12 VanDerWaalsContact O-N 3.12Å; P12-A15 PolarHBondContact O-N 2.74Å; P12-Q16 WeakPolarHBondContact O-CG 3.42Å; P12-Q16 PolarHBondContact O-N 2.98Å |
| 13 | A | 75.8 | Confident | 68.5 | Low | 61 Ų | 61 | 80.5 Ų | 80.5 | 50% | 0.504 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S11 Q16 H17 | S11-A13 PolarHBondContact O-N 2.74Å; A13-Q16 PolarHBondContact O-N 3.5Å; A13-H17 WeakPolarHBondContact O-CB 3.1Å; A13-H17 PolarHBondContact O-N 3.34Å |
| 14 | A | 73.4 | Confident | 70.4 | Confident | 46 Ų | 46 | 85.2 Ų | 85.2 | 38% | 0.38 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.8 | -39.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S11 H17 N18 | S11-A14 PolarHBondContact O-N 2.82Å; S11-A14 PolarHBondContact OG-N 3.03Å; A14-H17 PolarHBondContact O-N 2.97Å; A14-N18 VanDerWaalsContact O-CG 3.22Å; A14-N18 PolarHBondContact O-N 3.1Å; A14-N18 PolarHBondContact O-ND2 3.2Å |
| 15 | A | 71.2 | Confident | 72 | Confident | 23 Ų | 23 | 82.2 Ų | 82.2 | 19% | 0.19 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -64.1 | -43 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S11 P12 N18 L19 | S11-A15 PolarHBondContact O-N 3.49Å; S11-A15 VanDerWaalsContact O-N 3.1Å; P12-A15 PolarHBondContact O-N 2.74Å; A15-N18 PolarHBondContact O-N 2.85Å; A15-L19 PolarHBondContact O-N 3.28Å |
| 16 | Q | 76.4 | Confident | 73.4 | Confident | 140 Ų | 140 | 79.2 Ų | 79.2 | 65% | 0.654 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -64.2 | -42.2 | 174.7 | -76 | -174.2 | -49.2 | 0 | 0 | 112.4 | P12 A13 N18 L19 A20 | P12-Q16 WeakPolarHBondContact O-CG 3.42Å; P12-Q16 PolarHBondContact O-N 2.98Å; A13-Q16 PolarHBondContact O-N 3.5Å; Q16-N18 VanDerWaalsContact C-N 3.33Å; Q16-N18 PolarHBondContact O-N 3.36Å; Q16-L19 PolarHBondContact O-N 3.49Å; Q16-A20 PolarHBondContact O-N 3.48Å |
| 17 | H | 79.5 | Confident | 75.2 | Confident | 124 Ų | 124 | 77.3 Ų | 77.3 | 57% | 0.574 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -58.8 | -44.7 | 175.4 | 177.3 | -88.5 | 0 | 0 | 0 | 111.7 | A13 A14 L19 A20 L21 | A13-H17 WeakPolarHBondContact O-CB 3.1Å; A13-H17 PolarHBondContact O-N 3.34Å; A14-H17 PolarHBondContact O-N 2.97Å; H17-L19 VanDerWaalsContact C-N 3.34Å; H17-L19 PolarHBondContact O-N 3.2Å; H17-A20 PolarHBondContact O-N 3.1Å; H17-L21 PolarHBondContact O-N 3.42Å |
| 18 | N | 80.4 | Confident | 77.1 | Confident | 55 Ų | 55 | 72.9 Ų | 72.9 | 29% | 0.294 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 177 | -68.8 | -15.1 | 0 | 0 | 0 | 111.9 | A14 A15 Q16 L21 I22 F74 | A14-N18 VanDerWaalsContact O-CG 3.22Å; A14-N18 PolarHBondContact O-N 3.1Å; A14-N18 PolarHBondContact O-ND2 3.2Å; A15-N18 PolarHBondContact O-N 2.85Å; Q16-N18 VanDerWaalsContact C-N 3.33Å; Q16-N18 PolarHBondContact O-N 3.36Å; N18-L21 PolarHBondContact O-N 3.34Å; N18-I22 WeakPolarHBondContact O-CD1 3.28Å; N18-I22 VanDerWaalsContact O-CG1 3.32Å; N18-I22 WeakPolarHBondContact O-CG1 3.45Å; N18-I22 PolarHBondContact O-N 2.84Å; N18-F74 HydrophobicContact CB-CE1 4.15Å; N18-F74 HydrophobicContact CB-CZ 3.88Å |
| 19 | L | 78.1 | Confident | 78.8 | Confident | 72 Ų | 72 | 72 Ų | 72 | 38% | 0.377 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 176.2 | -177.8 | 64.1 | 0 | 0 | 0 | 111.8 | A15 Q16 H17 L21 I22 N23 | A15-L19 PolarHBondContact O-N 3.28Å; Q16-L19 PolarHBondContact O-N 3.49Å; H17-L19 VanDerWaalsContact C-N 3.34Å; H17-L19 PolarHBondContact O-N 3.2Å; L19-L21 PolarHBondContact O-N 2.87Å; L19-I22 PolarHBondContact O-N 3.4Å; L19-N23 PolarHBondContact O-N 3Å |
| 20 | A | 83.5 | Confident | 80.7 | Confident | 44 Ų | 44 | 66.4 Ų | 66.4 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | Q16 H17 I22 N23 Y24 | Q16-A20 PolarHBondContact O-N 3.48Å; H17-A20 PolarHBondContact O-N 3.1Å; A20-I22 VanDerWaalsContact C-N 3.31Å; A20-I22 PolarHBondContact O-N 3Å; A20-N23 WeakPolarHBondContact O-CB 3.49Å; A20-N23 PolarHBondContact O-N 3.31Å; A20-N23 VanDerWaalsContact O-N 3.14Å; A20-Y24 HydrophobicContact CB-CE2 4.49Å; A20-Y24 WeakPolarHBondContact O-CD2 3.1Å; A20-Y24 PolarHBondContact O-N 3.07Å |
| 21 | L | 84.3 | Confident | 82.3 | Confident | 92 Ų | 92 | 63 Ų | 63 | 48% | 0.482 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.8 | -43.2 | 177.6 | -173.1 | 68.5 | 0 | 0 | 0 | 112 | H17 N18 L19 Y24 C25 | H17-L21 PolarHBondContact O-N 3.42Å; N18-L21 PolarHBondContact O-N 3.34Å; L19-L21 PolarHBondContact O-N 2.87Å; L21-Y24 PolarHBondContact O-N 2.83Å; L21-C25 PolarHBondContact O-N 3.37Å; L21-C25 PolarHBondContact O-SG 2.96Å |
| 22 | I | 83 | Confident | 83.6 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 8% | 0.077 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 176.7 | -71 | 155.2 | 0 | 0 | 0 | 111 | N18 L19 A20 Y24 C25 R26 L62 F74 L80 | N18-I22 WeakPolarHBondContact O-CD1 3.28Å; N18-I22 VanDerWaalsContact O-CG1 3.32Å; N18-I22 WeakPolarHBondContact O-CG1 3.45Å; N18-I22 PolarHBondContact O-N 2.84Å; L19-I22 PolarHBondContact O-N 3.4Å; A20-I22 VanDerWaalsContact C-N 3.31Å; A20-I22 PolarHBondContact O-N 3Å; I22-Y24 VanDerWaalsContact C-N 3.32Å; I22-Y24 PolarHBondContact O-N 3.44Å; I22-C25 PolarHBondContact O-N 2.9Å; I22-R26 HydrophobicContact CG2-CG 4.36Å; I22-R26 WeakPolarHBondContact O-CD 3.29Å; I22-R26 WeakPolarHBondContact O-CG 3.05Å; I22-R26 PolarHBondContact O-N 3.44Å; I22-L62 HydrophobicContact CG1-CD2 4.01Å; I22-L62 HydrophobicContact CG2-CD1 3.73Å; I22-L62 HydrophobicContact CG2-CD2 4.35Å; I22-F74 HydrophobicContact CD1-CE1 3.52Å; I22-F74 HydrophobicContact CD1-CE2 4.21Å; I22-F74 HydrophobicContact CD1-CZ 3.24Å; I22-L80 HydrophobicContact CD1-CD1 3.25Å; I22-L80 HydrophobicContact CG1-CD1 4.13Å; I22-L80 HydrophobicContact CG2-CD1 3.91Å |
| 23 | N | 84.7 | Confident | 84.8 | Confident | 76 Ų | 76 | 61.7 Ų | 61.7 | 41% | 0.406 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 177.1 | -167.9 | 53.7 | 0 | 0 | 0 | 111.8 | L19 A20 R26 I27 | L19-N23 PolarHBondContact O-N 3Å; A20-N23 WeakPolarHBondContact O-CB 3.49Å; A20-N23 PolarHBondContact O-N 3.31Å; A20-N23 VanDerWaalsContact O-N 3.14Å; N23-R26 WeakPolarHBondContact O-CB 3.39Å; N23-R26 PolarHBondContact O-N 3.03Å; N23-I27 WeakPolarHBondContact O-CG1 3.22Å; N23-I27 PolarHBondContact O-N 3.39Å |
| 24 | Y | 87.7 | Confident | 85.7 | Confident | 159 Ų | 159 | 58.8 Ų | 58.8 | 62% | 0.624 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.9 | -48.5 | 173.4 | -77 | -67.7 | 0 | 0 | 0 | 112.4 | A20 L21 I22 R26 I27 S28 | A20-Y24 HydrophobicContact CB-CE2 4.49Å; A20-Y24 WeakPolarHBondContact O-CD2 3.1Å; A20-Y24 PolarHBondContact O-N 3.07Å; L21-Y24 PolarHBondContact O-N 2.83Å; I22-Y24 VanDerWaalsContact C-N 3.32Å; I22-Y24 PolarHBondContact O-N 3.44Å; Y24-R26 PolarHBondContact O-N 3.37Å; Y24-I27 PolarHBondContact O-N 3.44Å; Y24-S28 PolarHBondContact O-N 3.33Å; Y24-S28 PolarHBondContact O-OG 3.25Å; Y24-S28 VanDerWaalsContact O-OG 3.11Å |
| 25 | C | 87 | Confident | 86.7 | Confident | 54 Ų | 54 | 58.2 Ų | 58.2 | 37% | 0.365 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.8 | -38.9 | 177 | -67.9 | 0 | 0 | 0 | 0 | 112 | L21 I22 S28 I29 | L21-C25 PolarHBondContact O-N 3.37Å; L21-C25 PolarHBondContact O-SG 2.96Å; I22-C25 PolarHBondContact O-N 2.9Å; C25-S28 PolarHBondContact O-N 3.22Å; C25-I29 WeakPolarHBondContact O-CG1 3.34Å; C25-I29 PolarHBondContact O-N 3.21Å |
| 26 | R | 86.4 | Confident | 87.7 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 3% | 0.03 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.2 | -47.9 | 178.4 | -67.8 | 156.8 | 150.4 | -80.9 | -7.7 | 112.8 | I22 N23 Y24 S28 I29 A30 H55 L58 L80 T81 E88 | I22-R26 HydrophobicContact CG2-CG 4.36Å; I22-R26 WeakPolarHBondContact O-CD 3.29Å; I22-R26 WeakPolarHBondContact O-CG 3.05Å; I22-R26 PolarHBondContact O-N 3.44Å; N23-R26 WeakPolarHBondContact O-CB 3.39Å; N23-R26 PolarHBondContact O-N 3.03Å; Y24-R26 PolarHBondContact O-N 3.37Å; R26-S28 VanDerWaalsContact C-N 3.32Å; R26-S28 PolarHBondContact O-N 2.92Å; R26-I29 PolarHBondContact O-N 3.25Å; R26-A30 WeakPolarHBondContact O-CB 3.36Å; R26-A30 PolarHBondContact O-N 3.49Å; R26-H55 PolarHBondContact NH1-NE2 2.97Å; R26-L58 VanDerWaalsContact CA-CD2 3.45Å; R26-L58 HydrophobicContact CB-CD2 3.79Å; R26-L58 HydrophobicContact CG-CD2 3.36Å; R26-L58 HydrophobicContact CG-CG 4.39Å; R26-L80 PolarHBondContact NH2-O 3.46Å; R26-T81 PolarHBondContact NH2-O 3.5Å; R26-E88 HydrophobicContact CB-CG 3.95Å; R26-E88 WeakPolarHBondContact CB-OE1 3.33Å; R26-E88 WeakPolarHBondContact CD-OE1 3.32Å; R26-E88 WeakPolarHBondContact CG-OE1 3.33Å; R26-E88 IonicContact CZ-OE1 3.8Å; R26-E88 IonicContact NE-OE1 3.91Å; R26-E88 IonicContact NH1-OE1 2.89Å; R26-E88 PolarHBondContact NH1-OE1 3.47Å; R26-E88 IonicContact NH1-OE2 3.24Å; R26-E88 PolarHBondContact NH1-OE2 2.85Å |
| 27 | I | 90.2 | Very high | 88.6 | Confident | 66 Ų | 66 | 53.4 Ų | 53.4 | 34% | 0.338 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 175.7 | -64.2 | 165.7 | 0 | 0 | 0 | 110.6 | N23 Y24 I29 A30 A31 E88 T91 | N23-I27 WeakPolarHBondContact O-CG1 3.22Å; N23-I27 PolarHBondContact O-N 3.39Å; Y24-I27 PolarHBondContact O-N 3.44Å; I27-I29 PolarHBondContact O-N 3.47Å; I27-A30 PolarHBondContact O-N 3.17Å; I27-A31 PolarHBondContact O-N 2.9Å; I27-E88 HydrophobicContact CG1-CG 4.41Å; I27-T91 HydrophobicContact CG2-CG2 4.33Å |
| 28 | S | 92.3 | Very high | 89.2 | Confident | 67 Ų | 67 | 47.5 Ų | 47.5 | 47% | 0.469 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 177.7 | -59.6 | 0 | 0 | 0 | 0 | 112.4 | Y24 C25 R26 A31 L32 | Y24-S28 PolarHBondContact O-N 3.33Å; Y24-S28 PolarHBondContact O-OG 3.25Å; Y24-S28 VanDerWaalsContact O-OG 3.11Å; C25-S28 PolarHBondContact O-N 3.22Å; R26-S28 VanDerWaalsContact C-N 3.32Å; R26-S28 PolarHBondContact O-N 2.92Å; S28-A31 PolarHBondContact O-N 3.3Å; S28-L32 VanDerWaalsContact O-CG 3.31Å; S28-L32 WeakPolarHBondContact O-CG 3.46Å; S28-L32 PolarHBondContact O-N 2.91Å |
| 29 | I | 91.6 | Very high | 89.8 | Confident | 45 Ų | 45 | 49.9 Ų | 49.9 | 23% | 0.231 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.2 | -37.3 | 177.7 | -74.7 | 166.2 | 0 | 0 | 0 | 111.5 | C25 R26 I27 A31 L32 S33 L58 | C25-I29 WeakPolarHBondContact O-CG1 3.34Å; C25-I29 PolarHBondContact O-N 3.21Å; R26-I29 PolarHBondContact O-N 3.25Å; I27-I29 PolarHBondContact O-N 3.47Å; I29-A31 VanDerWaalsContact C-N 3.3Å; I29-A31 PolarHBondContact O-N 3.27Å; I29-L32 PolarHBondContact O-N 2.99Å; I29-S33 VanDerWaalsContact O-CB 3.23Å; I29-S33 WeakPolarHBondContact O-CB 3.33Å; I29-S33 PolarHBondContact O-N 3.3Å; I29-S33 PolarHBondContact O-OG 3.46Å; I29-L58 HydrophobicContact CB-CD2 4.29Å; I29-L58 HydrophobicContact CD1-CB 4.04Å; I29-L58 HydrophobicContact CD1-CD1 3.36Å; I29-L58 HydrophobicContact CD1-CD2 3.82Å; I29-L58 HydrophobicContact CD1-CG 3.93Å; I29-L58 HydrophobicContact CG2-CD2 4.49Å |
| 30 | A | 92.8 | Very high | 90.4 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 3% | 0.033 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59 | -43.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R26 I27 S33 G34 E88 Y92 | R26-A30 WeakPolarHBondContact O-CB 3.36Å; R26-A30 PolarHBondContact O-N 3.49Å; I27-A30 PolarHBondContact O-N 3.17Å; A30-S33 PolarHBondContact O-OG 3.31Å; A30-G34 PolarHBondContact O-N 2.98Å; A30-E88 HydrophobicContact CB-CB 3.99Å; A30-Y92 WeakPolarHBondContact O-CD2 3.41Å |
| 31 | A | 93.6 | Very high | 90.6 | Very high | 19 Ų | 19 | 50.4 Ų | 50.4 | 16% | 0.157 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.5 | -50.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | I27 S28 I29 G34 C35 T91 F95 | I27-A31 PolarHBondContact O-N 2.9Å; S28-A31 PolarHBondContact O-N 3.3Å; I29-A31 VanDerWaalsContact C-N 3.3Å; I29-A31 PolarHBondContact O-N 3.27Å; A31-G34 PolarHBondContact O-N 3.24Å; A31-C35 PolarHBondContact O-N 2.99Å; A31-C35 PolarHBondContact O-SG 3.36Å; A31-T91 HydrophobicContact CB-CG2 4.21Å; A31-F95 HydrophobicContact CB-CD2 3.58Å; A31-F95 HydrophobicContact CB-CE2 3.57Å; A31-F95 HydrophobicContact CB-CG 4.27Å; A31-F95 HydrophobicContact CB-CZ 4.24Å |
| 32 | L | 94.3 | Very high | 90.7 | Very high | 116 Ų | 116 | 48.2 Ų | 48.2 | 61% | 0.607 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.9 | -43.4 | -179.1 | -70.8 | 171.1 | 0 | 0 | 0 | 112.8 | S28 I29 G34 C35 T36 | S28-L32 VanDerWaalsContact O-CG 3.31Å; S28-L32 WeakPolarHBondContact O-CG 3.46Å; S28-L32 PolarHBondContact O-N 2.91Å; I29-L32 PolarHBondContact O-N 2.99Å; L32-G34 VanDerWaalsContact C-N 3.34Å; L32-C35 PolarHBondContact O-N 3.32Å; L32-T36 PolarHBondContact O-N 3.31Å; L32-T36 PolarHBondContact O-OG1 3.38Å |
| 33 | S | 94 | Very high | 90.8 | Very high | 10 Ų | 10 | 51.4 Ų | 51.4 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 175.7 | 57.6 | 0 | 0 | 0 | 0 | 111.2 | I29 A30 T36 A37 F50 Y92 | I29-S33 VanDerWaalsContact O-CB 3.23Å; I29-S33 WeakPolarHBondContact O-CB 3.33Å; I29-S33 PolarHBondContact O-N 3.3Å; I29-S33 PolarHBondContact O-OG 3.46Å; A30-S33 PolarHBondContact O-OG 3.31Å; S33-T36 PolarHBondContact O-N 3.5Å; S33-A37 WeakPolarHBondContact O-CB 3.49Å; S33-A37 PolarHBondContact O-N 3.4Å; S33-F50 WeakPolarHBondContact O-CE1 3.45Å; S33-Y92 WeakPolarHBondContact OG-CD2 3.47Å |
| 34 | G | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.6 | -48.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A30 A31 L32 T36 A37 G38 Y92 W96 | A30-G34 PolarHBondContact O-N 2.98Å; A31-G34 PolarHBondContact O-N 3.24Å; L32-G34 VanDerWaalsContact C-N 3.34Å; G34-T36 VanDerWaalsContact C-N 3.32Å; G34-T36 PolarHBondContact O-N 2.97Å; G34-A37 PolarHBondContact O-N 2.95Å; G34-G38 PolarHBondContact O-N 3.44Å; G34-Y92 VanDerWaalsContact CA-CD2 3.47Å; G34-Y92 VanDerWaalsContact CA-CE2 3.48Å; G34-Y92 VanDerWaalsContact N-CD2 3.35Å; G34-W96 VanDerWaalsContact O-CA 3.28Å; G34-W96 WeakPolarHBondContact O-CA 3.47Å |
| 35 | C | 94.3 | Very high | 90.8 | Very high | 33 Ų | 33 | 48.1 Ų | 48.1 | 22% | 0.223 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.5 | -45.9 | 174.3 | -65.7 | 0 | 0 | 0 | 0 | 111.8 | A31 L32 A37 G38 I39 I99 | A31-C35 PolarHBondContact O-N 2.99Å; A31-C35 PolarHBondContact O-SG 3.36Å; L32-C35 PolarHBondContact O-N 3.32Å; C35-A37 PolarHBondContact O-N 3.33Å; C35-G38 PolarHBondContact O-N 3.14Å; C35-I39 VanDerWaalsContact O-CG1 3.29Å; C35-I39 WeakPolarHBondContact O-CG1 3.43Å; C35-I39 PolarHBondContact O-N 3.01Å; C35-I99 HydrophobicContact CB-CG1 4.4Å |
| 36 | T | 93.9 | Very high | 90.9 | Very high | 63 Ų | 63 | 50.5 Ų | 50.5 | 39% | 0.387 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 179.4 | -52.7 | 0 | 0 | 0 | 0 | 111.2 | L32 S33 G34 G38 I39 L40 F50 | L32-T36 PolarHBondContact O-N 3.31Å; L32-T36 PolarHBondContact O-OG1 3.38Å; S33-T36 PolarHBondContact O-N 3.5Å; G34-T36 VanDerWaalsContact C-N 3.32Å; G34-T36 PolarHBondContact O-N 2.97Å; T36-G38 VanDerWaalsContact C-N 3.34Å; T36-G38 PolarHBondContact O-N 2.94Å; T36-I39 PolarHBondContact O-N 3.23Å; T36-L40 HydrophobicContact CG2-CD1 4.25Å; T36-L40 WeakPolarHBondContact O-CB 3.39Å; T36-L40 VanDerWaalsContact O-CG 3.31Å; T36-L40 WeakPolarHBondContact O-CG 3.21Å; T36-L40 PolarHBondContact O-N 2.83Å; T36-L40 VanDerWaalsContact O-N 3.08Å; T36-F50 HydrophobicContact CG2-CE1 4.3Å; T36-F50 HydrophobicContact CG2-CZ 3.82Å |
| 37 | A | 94.2 | Very high | 91 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.3 | -37.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S33 G34 C35 G41 L42 F50 Y92 W96 | S33-A37 WeakPolarHBondContact O-CB 3.49Å; S33-A37 PolarHBondContact O-N 3.4Å; G34-A37 PolarHBondContact O-N 2.95Å; C35-A37 PolarHBondContact O-N 3.33Å; A37-G41 PolarHBondContact O-N 3.24Å; A37-L42 HydrophobicContact CB-CD1 4.37Å; A37-L42 PolarHBondContact O-N 3.02Å; A37-F50 HydrophobicContact CB-CD1 3.84Å; A37-F50 HydrophobicContact CB-CE1 4.36Å; A37-F50 HydrophobicContact CB-CG 4.4Å; A37-Y92 HydrophobicContact CB-CE2 4.33Å; A37-Y92 VanDerWaalsContact CB-OH 3.24Å; A37-Y92 WeakPolarHBondContact CB-OH 3.45Å; A37-W96 HydrophobicContact CB-CG 4.32Å |
| 38 | G | 92.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.1 | -47.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G34 C35 T36 L40 G41 W96 | G34-G38 PolarHBondContact O-N 3.44Å; C35-G38 PolarHBondContact O-N 3.14Å; T36-G38 VanDerWaalsContact C-N 3.34Å; T36-G38 PolarHBondContact O-N 2.94Å; G38-L40 VanDerWaalsContact C-N 3.34Å; G38-L40 PolarHBondContact O-N 2.86Å; G38-G41 PolarHBondContact O-N 3.23Å; G38-W96 WeakPolarHBondContact CA-O 3.17Å |
| 39 | I | 91.5 | Very high | 90.9 | Very high | 104 Ų | 104 | 52.5 Ų | 52.5 | 53% | 0.533 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 177 | -65.6 | 166.2 | 0 | 0 | 0 | 110.4 | C35 T36 G41 I99 H104 | C35-I39 VanDerWaalsContact O-CG1 3.29Å; C35-I39 WeakPolarHBondContact O-CG1 3.43Å; C35-I39 PolarHBondContact O-N 3.01Å; T36-I39 PolarHBondContact O-N 3.23Å; I39-G41 PolarHBondContact O-N 3.44Å; I39-G41 VanDerWaalsContact O-N 3.09Å; I39-I99 HydrophobicContact CG1-CG2 3.68Å; I39-H104 PolarHBondContact O-NE2 3.31Å |
| 40 | L | 90.6 | Very high | 90.8 | Very high | 112 Ų | 112 | 53 Ų | 53 | 59% | 0.586 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -11.8 | 178.4 | -72.3 | 175.8 | 0 | 0 | 0 | 113.6 | T36 G38 L42 | T36-L40 HydrophobicContact CG2-CD1 4.25Å; T36-L40 WeakPolarHBondContact O-CB 3.39Å; T36-L40 VanDerWaalsContact O-CG 3.31Å; T36-L40 WeakPolarHBondContact O-CG 3.21Å; T36-L40 PolarHBondContact O-N 2.83Å; T36-L40 VanDerWaalsContact O-N 3.08Å; G38-L40 VanDerWaalsContact C-N 3.34Å; G38-L40 PolarHBondContact O-N 2.86Å; L40-L42 HydrophobicContact CB-CD1 3.72Å; L40-L42 HydrophobicContact CB-CG 3.98Å; L40-L42 HydrophobicContact CD1-CD1 3.76Å; L40-L42 HydrophobicContact CG-CD1 4.41Å; L40-L42 PolarHBondContact O-N 2.65Å |
| 41 | G | 87.8 | Confident | 90.6 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 17% | 0.165 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 19.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A37 G38 I39 T43 Y100 H104 | A37-G41 PolarHBondContact O-N 3.24Å; G38-G41 PolarHBondContact O-N 3.23Å; I39-G41 PolarHBondContact O-N 3.44Å; I39-G41 VanDerWaalsContact O-N 3.09Å; G41-T43 PolarHBondContact O-N 3.11Å; G41-Y100 WeakPolarHBondContact O-CE2 3.41Å; G41-H104 WeakPolarHBondContact CA-NE2 3.3Å; G41-H104 PolarHBondContact N-NE2 3.35Å |
| 42 | L | 86.5 | Confident | 90.4 | Very high | 46 Ų | 46 | 59.4 Ų | 59.4 | 24% | 0.241 | 32% | 0.318 | C | S | . | . | trans | -67.6 | 119.2 | -177.9 | -71.5 | 151.7 | 0 | 0 | 0 | 108.5 | A37 L40 M46 W96 | A37-L42 HydrophobicContact CB-CD1 4.37Å; A37-L42 PolarHBondContact O-N 3.02Å; L40-L42 HydrophobicContact CB-CD1 3.72Å; L40-L42 HydrophobicContact CB-CG 3.98Å; L40-L42 HydrophobicContact CD1-CD1 3.76Å; L40-L42 HydrophobicContact CG-CD1 4.41Å; L40-L42 PolarHBondContact O-N 2.65Å; L42-M46 HydrophobicContact CB-CB 4.44Å; L42-M46 HydrophobicContact CD2-CB 3.7Å; L42-W96 WeakPolarHBondContact O-CZ2 3.44Å; L42-W96 PolarHBondContact O-NE1 3.42Å | ||
| 43 | T | 86.7 | Confident | 90.2 | Very high | 81 Ų | 81 | 59.7 Ų | 59.7 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | trans | -110.1 | 156.1 | 178.6 | 55.6 | 0 | 0 | 0 | 0 | 111.9 | G41 I45 M46 Y100 | G41-T43 PolarHBondContact O-N 3.11Å; T43-I45 PolarHBondContact O-N 2.98Å; T43-M46 PolarHBondContact O-N 3.47Å; T43-Y100 HydrophobicContact CG2-CD2 4.23Å; T43-Y100 HydrophobicContact CG2-CE1 4.29Å; T43-Y100 HydrophobicContact CG2-CE2 3.36Å; T43-Y100 VanDerWaalsContact CG2-CZ 3.4Å; T43-Y100 VanDerWaalsContact CG2-OH 3.3Å; T43-Y100 WeakPolarHBondContact CG2-OH 3.04Å | ||
| 44 | G | 84.3 | Confident | 90 | Very high | 44 Ų | 44 | 59.8 Ų | 59.8 | 45% | 0.454 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | -131.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | M46 G47 F48 | G44-M46 VanDerWaalsContact C-N 3.26Å; G44-M46 PolarHBondContact O-N 3.26Å; G44-G47 PolarHBondContact O-N 3.38Å; G44-F48 WeakPolarHBondContact O-CD2 3.16Å; G44-F48 PolarHBondContact O-N 3.46Å |
| 45 | I | 87.8 | Confident | 89.6 | Confident | 123 Ų | 123 | 61.1 Ų | 61.1 | 63% | 0.631 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.8 | -29 | -173.6 | -164 | 62.6 | 0 | 0 | 0 | 113.3 | T43 G47 F48 M49 | T43-I45 PolarHBondContact O-N 2.98Å; I45-G47 PolarHBondContact O-N 2.96Å; I45-F48 PolarHBondContact O-N 3.42Å; I45-M49 WeakPolarHBondContact O-CG 3.32Å; I45-M49 PolarHBondContact O-N 2.96Å |
| 46 | M | 89 | Confident | 89.2 | Confident | 103 Ų | 103 | 61.4 Ų | 61.4 | 51% | 0.507 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67 | -39.1 | -179.3 | -66.1 | -66.1 | -175.5 | 0 | 0 | 111.5 | L42 T43 G44 F48 M49 F50 | L42-M46 HydrophobicContact CB-CB 4.44Å; L42-M46 HydrophobicContact CD2-CB 3.7Å; T43-M46 PolarHBondContact O-N 3.47Å; G44-M46 VanDerWaalsContact C-N 3.26Å; G44-M46 PolarHBondContact O-N 3.26Å; M46-F48 VanDerWaalsContact C-N 3.34Å; M46-M49 HydrophobicContact CE-CE 4.3Å; M46-M49 PolarHBondContact O-N 3.11Å; M46-M49 HydrophobicContact SD-CE 3.26Å; M46-M49 WeakPolarHBondContact SD-CE 3.36Å; M46-F50 PolarHBondContact O-N 3.25Å; M46-F50 VanDerWaalsContact O-N 3.13Å |
| 47 | G | 88.7 | Confident | 88.9 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G44 I45 F50 Y51 Y92 | G44-G47 PolarHBondContact O-N 3.38Å; I45-G47 PolarHBondContact O-N 2.96Å; G47-F50 PolarHBondContact O-N 3.25Å; G47-Y51 PolarHBondContact O-N 3.19Å; G47-Y92 PolarHBondContact O-OH 3.36Å |
| 48 | F | 88.5 | Confident | 88.5 | Confident | 80 Ų | 80 | 64.6 Ų | 64.6 | 35% | 0.351 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.1 | -38.6 | 173.7 | -76.5 | -76 | 0 | 0 | 0 | 113 | G44 I45 M46 F50 Y51 F52 I93 W96 | G44-F48 WeakPolarHBondContact O-CD2 3.16Å; G44-F48 PolarHBondContact O-N 3.46Å; I45-F48 PolarHBondContact O-N 3.42Å; M46-F48 VanDerWaalsContact C-N 3.34Å; F48-F50 VanDerWaalsContact C-N 3.27Å; F48-F50 PolarHBondContact O-N 3.04Å; F48-Y51 WeakPolarHBondContact O-CB 3.33Å; F48-Y51 PolarHBondContact O-N 2.66Å; F48-Y51 VanDerWaalsContact O-N 3.15Å; F48-F52 WeakPolarHBondContact O-CD2 3.06Å; F48-F52 PolarHBondContact O-N 2.9Å; F48-I93 HydrophobicContact CE1-CD1 4.27Å; F48-W96 HydrophobicContact CD2-CH2 4.29Å; F48-W96 HydrophobicContact CD2-CZ3 4.36Å; F48-W96 HydrophobicContact CE2-CH2 4.2Å; F48-W96 HydrophobicContact CE2-CZ3 4.07Å; F48-W96 HydrophobicContact CZ-CZ3 4.27Å |
| 49 | M | 91 | Very high | 88 | Confident | 104 Ų | 104 | 66.3 Ų | 66.3 | 51% | 0.512 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.2 | -38.7 | 175.3 | -72.3 | -156.3 | -62.3 | 0 | 0 | 112 | I45 M46 Y51 F52 L53 | I45-M49 WeakPolarHBondContact O-CG 3.32Å; I45-M49 PolarHBondContact O-N 2.96Å; M46-M49 HydrophobicContact CE-CE 4.3Å; M46-M49 PolarHBondContact O-N 3.11Å; M46-M49 HydrophobicContact SD-CE 3.26Å; M46-M49 WeakPolarHBondContact SD-CE 3.36Å; M49-Y51 VanDerWaalsContact C-N 3.28Å; M49-Y51 PolarHBondContact O-N 2.79Å; M49-F52 PolarHBondContact O-N 3.25Å; M49-L53 PolarHBondContact O-N 3.23Å |
| 50 | F | 90.2 | Very high | 87.7 | Confident | 54 Ų | 54 | 65.5 Ų | 65.5 | 24% | 0.237 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.6 | -35.5 | 176.3 | -166.8 | -97.9 | 0 | 0 | 0 | 112.3 | S33 T36 A37 M46 G47 F48 L53 A54 Y92 | S33-F50 WeakPolarHBondContact O-CE1 3.45Å; T36-F50 HydrophobicContact CG2-CE1 4.3Å; T36-F50 HydrophobicContact CG2-CZ 3.82Å; A37-F50 HydrophobicContact CB-CD1 3.84Å; A37-F50 HydrophobicContact CB-CE1 4.36Å; A37-F50 HydrophobicContact CB-CG 4.4Å; M46-F50 PolarHBondContact O-N 3.25Å; M46-F50 VanDerWaalsContact O-N 3.13Å; G47-F50 PolarHBondContact O-N 3.25Å; F48-F50 VanDerWaalsContact C-N 3.27Å; F48-F50 PolarHBondContact O-N 3.04Å; F50-L53 PolarHBondContact O-N 2.79Å; F50-A54 WeakPolarHBondContact O-CB 3.31Å; F50-A54 PolarHBondContact O-N 3.35Å; F50-Y92 HydrophobicContact CD1-CE2 4.31Å |
| 51 | Y | 89 | Confident | 87.5 | Confident | 12 Ų | 12 | 63.3 Ų | 63.3 | 5% | 0.047 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.7 | -49.1 | 173.4 | 178.4 | -106 | 0 | 0 | 0 | 112.4 | G47 F48 M49 L53 A54 H55 V85 L89 Y92 | G47-Y51 PolarHBondContact O-N 3.19Å; F48-Y51 WeakPolarHBondContact O-CB 3.33Å; F48-Y51 PolarHBondContact O-N 2.66Å; F48-Y51 VanDerWaalsContact O-N 3.15Å; M49-Y51 VanDerWaalsContact C-N 3.28Å; M49-Y51 PolarHBondContact O-N 2.79Å; Y51-L53 VanDerWaalsContact C-N 3.26Å; Y51-L53 PolarHBondContact O-N 2.87Å; Y51-A54 PolarHBondContact O-N 3.49Å; Y51-H55 WeakPolarHBondContact O-CB 3.44Å; Y51-H55 PolarHBondContact O-N 2.63Å; Y51-V85 PolarHBondContact OH-O 3.45Å; Y51-L89 HydrophobicContact CD1-CD1 3.7Å; Y51-L89 HydrophobicContact CD2-CD1 4.19Å; Y51-L89 HydrophobicContact CE1-CB 4.42Å; Y51-L89 HydrophobicContact CE1-CD1 3.67Å; Y51-L89 HydrophobicContact CE2-CD1 4.17Å; Y51-L89 HydrophobicContact CG-CD1 3.96Å; Y51-L89 PolarHBondContact OH-N 2.89Å; Y51-Y92 AromaticContact CD2-CD1 3.79Å; Y51-Y92 HydrophobicContact CD2-CD1 3.79Å; Y51-Y92 AromaticContact CD2-CD2 3.77Å; Y51-Y92 HydrophobicContact CD2-CD2 3.77Å; Y51-Y92 HydrophobicContact CD2-CE1 4.31Å; Y51-Y92 HydrophobicContact CD2-CE2 4.28Å; Y51-Y92 AromaticContact CD2-CG 3.49Å; Y51-Y92 HydrophobicContact CD2-CG 3.49Å; Y51-Y92 VanDerWaalsContact CD2-CG 3.49Å; Y51-Y92 HydrophobicContact CE2-CG 4.16Å; Y51-Y92 HydrophobicContact CG-CD1 4.19Å; Y51-Y92 HydrophobicContact CG-CE1 4.39Å; Y51-Y92 HydrophobicContact CG-CG 4.33Å |
| 52 | F | 88.7 | Confident | 87.1 | Confident | 146 Ų | 146 | 63.7 Ų | 63.7 | 64% | 0.64 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61 | -37.7 | 177.6 | -72.4 | -73 | 0 | 0 | 0 | 112 | F48 M49 G56 | F48-F52 WeakPolarHBondContact O-CD2 3.06Å; F48-F52 PolarHBondContact O-N 2.9Å; M49-F52 PolarHBondContact O-N 3.25Å; F52-G56 PolarHBondContact O-N 3.11Å |
| 53 | L | 90.6 | Very high | 86.6 | Confident | 122 Ų | 122 | 66.4 Ų | 66.4 | 64% | 0.639 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -65.6 | -45 | 176.2 | -169.8 | 63.3 | 0 | 0 | 0 | 111.6 | M49 F50 Y51 G56 F57 | M49-L53 PolarHBondContact O-N 3.23Å; F50-L53 PolarHBondContact O-N 2.79Å; Y51-L53 VanDerWaalsContact C-N 3.26Å; Y51-L53 PolarHBondContact O-N 2.87Å; L53-G56 PolarHBondContact O-N 3.32Å; L53-F57 WeakPolarHBondContact O-CB 3.23Å; L53-F57 PolarHBondContact O-N 2.87Å |
| 54 | A | 88.9 | Confident | 86.2 | Confident | 13 Ų | 13 | 68.9 Ų | 68.9 | 11% | 0.107 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F50 Y51 F57 L58 | F50-A54 WeakPolarHBondContact O-CB 3.31Å; F50-A54 PolarHBondContact O-N 3.35Å; Y51-A54 PolarHBondContact O-N 3.49Å; A54-F57 PolarHBondContact O-N 3.05Å; A54-L58 PolarHBondContact O-N 2.96Å |
| 55 | H | 86.5 | Confident | 85.7 | Confident | 28 Ų | 28 | 75.7 Ų | 75.7 | 13% | 0.13 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 175.9 | -177 | -90.4 | 0 | 0 | 0 | 111.5 | R26 Y51 L58 S59 T81 V85 E88 | R26-H55 PolarHBondContact NH1-NE2 2.97Å; Y51-H55 WeakPolarHBondContact O-CB 3.44Å; Y51-H55 PolarHBondContact O-N 2.63Å; H55-L58 PolarHBondContact O-N 3.05Å; H55-S59 WeakPolarHBondContact O-CB 3.43Å; H55-S59 PolarHBondContact O-N 3.15Å; H55-T81 PolarHBondContact CE1-O 3.32Å; H55-T81 VanDerWaalsContact CE1-O 3.23Å; H55-V85 WeakPolarHBondContact CE1-CG1 3.39Å; H55-V85 WeakPolarHBondContact NE2-CG1 3.46Å; H55-E88 IonicContact CD2-OE2 3.76Å |
| 56 | G | 86.4 | Confident | 84.7 | Confident | 38 Ų | 38 | 70.7 Ų | 70.7 | 39% | 0.392 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F52 L53 S59 L60 | F52-G56 PolarHBondContact O-N 3.11Å; L53-G56 PolarHBondContact O-N 3.32Å; G56-S59 WeakPolarHBondContact O-CB 3.39Å; G56-S59 PolarHBondContact O-N 3.31Å; G56-L60 WeakPolarHBondContact O-CB 3.44Å; G56-L60 PolarHBondContact O-N 3.39Å |
| 57 | F | 88.3 | Confident | 83.4 | Confident | 124 Ų | 124 | 67 Ų | 67 | 54% | 0.544 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 176 | -179.1 | -107.5 | 0 | 0 | 0 | 111.9 | L53 A54 L60 L61 | L53-F57 WeakPolarHBondContact O-CB 3.23Å; L53-F57 PolarHBondContact O-N 2.87Å; A54-F57 PolarHBondContact O-N 3.05Å; F57-L60 WeakPolarHBondContact O-CB 3.19Å; F57-L60 PolarHBondContact O-N 3.42Å; F57-L61 HydrophobicContact CD1-CD1 3.91Å; F57-L61 HydrophobicContact CD1-CG 4.37Å; F57-L61 HydrophobicContact CE1-CD1 3.4Å; F57-L61 VanDerWaalsContact CE1-CD1 3.4Å; F57-L61 HydrophobicContact CE1-CG 4.02Å; F57-L61 HydrophobicContact CE2-CG 4.46Å; F57-L61 HydrophobicContact CZ-CD1 3.83Å; F57-L61 HydrophobicContact CZ-CD2 4.16Å; F57-L61 HydrophobicContact CZ-CG 4.06Å; F57-L61 WeakPolarHBondContact O-CG 3.31Å; F57-L61 PolarHBondContact O-N 3.27Å |
| 58 | L | 85.5 | Confident | 81.7 | Confident | 7 Ų | 7 | 77.4 Ų | 77.4 | 4% | 0.037 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.8 | -45 | 174.5 | 177.2 | 52.8 | 0 | 0 | 0 | 112.1 | R26 I29 A54 H55 L60 L61 L62 | R26-L58 VanDerWaalsContact CA-CD2 3.45Å; R26-L58 HydrophobicContact CB-CD2 3.79Å; R26-L58 HydrophobicContact CG-CD2 3.36Å; R26-L58 HydrophobicContact CG-CG 4.39Å; I29-L58 HydrophobicContact CB-CD2 4.29Å; I29-L58 HydrophobicContact CD1-CB 4.04Å; I29-L58 HydrophobicContact CD1-CD1 3.36Å; I29-L58 HydrophobicContact CD1-CD2 3.82Å; I29-L58 HydrophobicContact CD1-CG 3.93Å; I29-L58 HydrophobicContact CG2-CD2 4.49Å; A54-L58 PolarHBondContact O-N 2.96Å; H55-L58 PolarHBondContact O-N 3.05Å; L58-L60 PolarHBondContact O-N 3.39Å; L58-L61 PolarHBondContact O-N 3.25Å; L58-L61 VanDerWaalsContact O-N 3.17Å; L58-L62 HydrophobicContact CD1-CD1 4.15Å; L58-L62 HydrophobicContact CD1-CD2 4.48Å; L58-L62 HydrophobicContact CD1-CG 3.96Å; L58-L62 HydrophobicContact CG-CD1 4.14Å; L58-L62 HydrophobicContact CG-CG 4.41Å; L58-L62 WeakPolarHBondContact O-CB 3.4Å; L58-L62 WeakPolarHBondContact O-CG 3.02Å; L58-L62 PolarHBondContact O-N 2.99Å |
| 59 | S | 82.9 | Confident | 80.1 | Confident | 36 Ų | 36 | 76.3 Ų | 76.3 | 25% | 0.252 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57 | -40.8 | 175.6 | -171.9 | 0 | 0 | 0 | 0 | 111.3 | H55 G56 L62 L63 | H55-S59 WeakPolarHBondContact O-CB 3.43Å; H55-S59 PolarHBondContact O-N 3.15Å; G56-S59 WeakPolarHBondContact O-CB 3.39Å; G56-S59 PolarHBondContact O-N 3.31Å; S59-L62 PolarHBondContact O-N 3.34Å; S59-L63 WeakPolarHBondContact O-CB 3.46Å; S59-L63 PolarHBondContact O-N 3.46Å |
| 60 | L | 85.2 | Confident | 78.1 | Confident | 86 Ų | 86 | 74.5 Ų | 74.5 | 45% | 0.45 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.7 | -44.6 | 175.4 | -170.3 | 157.3 | 0 | 0 | 0 | 112 | G56 F57 L58 L62 L63 Q64 | G56-L60 WeakPolarHBondContact O-CB 3.44Å; G56-L60 PolarHBondContact O-N 3.39Å; F57-L60 WeakPolarHBondContact O-CB 3.19Å; F57-L60 PolarHBondContact O-N 3.42Å; L58-L60 PolarHBondContact O-N 3.39Å; L60-L62 VanDerWaalsContact C-N 3.34Å; L60-L62 PolarHBondContact O-N 3.13Å; L60-L63 CarbonylContact O-C 3.56Å; L60-L63 WeakPolarHBondContact O-CA 3.26Å; L60-L63 VanDerWaalsContact O-CB 3.28Å; L60-L63 WeakPolarHBondContact O-CB 3.45Å; L60-L63 PolarHBondContact O-N 3.27Å; L60-L63 VanDerWaalsContact O-N 3.07Å; L60-Q64 HydrophobicContact CD2-CG 4.03Å; L60-Q64 WeakPolarHBondContact O-CG 3.28Å; L60-Q64 PolarHBondContact O-N 3.27Å |
| 61 | L | 84.3 | Confident | 76.2 | Confident | 66 Ų | 66 | 78.8 Ų | 78.8 | 35% | 0.346 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 176 | -72.5 | -179.6 | 0 | 0 | 0 | 112 | F57 L58 L63 Q64 K65 | F57-L61 HydrophobicContact CD1-CD1 3.91Å; F57-L61 HydrophobicContact CD1-CG 4.37Å; F57-L61 HydrophobicContact CE1-CD1 3.4Å; F57-L61 VanDerWaalsContact CE1-CD1 3.4Å; F57-L61 HydrophobicContact CE1-CG 4.02Å; F57-L61 HydrophobicContact CE2-CG 4.46Å; F57-L61 HydrophobicContact CZ-CD1 3.83Å; F57-L61 HydrophobicContact CZ-CD2 4.16Å; F57-L61 HydrophobicContact CZ-CG 4.06Å; F57-L61 WeakPolarHBondContact O-CG 3.31Å; F57-L61 PolarHBondContact O-N 3.27Å; L58-L61 PolarHBondContact O-N 3.25Å; L58-L61 VanDerWaalsContact O-N 3.17Å; L61-L63 VanDerWaalsContact C-N 3.28Å; L61-L63 PolarHBondContact O-N 3.37Å; L61-Q64 PolarHBondContact O-N 2.85Å; L61-K65 VanDerWaalsContact O-CB 3.29Å; L61-K65 WeakPolarHBondContact O-CB 3.41Å; L61-K65 PolarHBondContact O-N 3.48Å |
| 62 | L | 79.7 | Confident | 74.3 | Confident | 24 Ų | 24 | 83.3 Ų | 83.3 | 13% | 0.126 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.6 | -37.7 | 172.6 | -68.1 | 175.5 | 0 | 0 | 0 | 110.7 | I22 L58 S59 L60 K65 A66 L80 | I22-L62 HydrophobicContact CG1-CD2 4.01Å; I22-L62 HydrophobicContact CG2-CD1 3.73Å; I22-L62 HydrophobicContact CG2-CD2 4.35Å; L58-L62 HydrophobicContact CD1-CD1 4.15Å; L58-L62 HydrophobicContact CD1-CD2 4.48Å; L58-L62 HydrophobicContact CD1-CG 3.96Å; L58-L62 HydrophobicContact CG-CD1 4.14Å; L58-L62 HydrophobicContact CG-CG 4.41Å; L58-L62 WeakPolarHBondContact O-CB 3.4Å; L58-L62 WeakPolarHBondContact O-CG 3.02Å; L58-L62 PolarHBondContact O-N 2.99Å; S59-L62 PolarHBondContact O-N 3.34Å; L60-L62 VanDerWaalsContact C-N 3.34Å; L60-L62 PolarHBondContact O-N 3.13Å; L62-K65 PolarHBondContact O-N 3.49Å; L62-A66 VanDerWaalsContact O-CB 3.22Å; L62-A66 WeakPolarHBondContact O-CB 3.33Å; L62-A66 PolarHBondContact O-N 3.39Å; L62-L80 HydrophobicContact CD1-CD1 4.43Å |
| 63 | L | 77.3 | Confident | 72.5 | Confident | 104 Ų | 104 | 82 Ų | 82 | 55% | 0.545 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 174.2 | -161.2 | 80.9 | 0 | 0 | 0 | 112.3 | S59 L60 L61 G67 W70 | S59-L63 WeakPolarHBondContact O-CB 3.46Å; S59-L63 PolarHBondContact O-N 3.46Å; L60-L63 CarbonylContact O-C 3.56Å; L60-L63 WeakPolarHBondContact O-CA 3.26Å; L60-L63 VanDerWaalsContact O-CB 3.28Å; L60-L63 WeakPolarHBondContact O-CB 3.45Å; L60-L63 PolarHBondContact O-N 3.27Å; L60-L63 VanDerWaalsContact O-N 3.07Å; L61-L63 VanDerWaalsContact C-N 3.28Å; L61-L63 PolarHBondContact O-N 3.37Å; L63-G67 PolarHBondContact O-N 3.25Å; L63-W70 VanDerWaalsContact CA-CH2 3.5Å; L63-W70 VanDerWaalsContact CA-CZ2 3.44Å; L63-W70 HydrophobicContact CB-CH2 4.27Å; L63-W70 HydrophobicContact CB-CZ2 4.06Å; L63-W70 HydrophobicContact CD1-CH2 3.51Å; L63-W70 HydrophobicContact CD1-CZ2 3.14Å; L63-W70 HydrophobicContact CG-CH2 4.17Å; L63-W70 HydrophobicContact CG-CZ2 3.59Å; L63-W70 WeakPolarHBondContact O-CZ2 3.29Å |
| 64 | Q | 78 | Confident | 70.5 | Confident | 133 Ų | 133 | 78.4 Ų | 78.4 | 62% | 0.621 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -66.7 | -43.9 | 176.3 | -70.9 | 179 | -31.5 | 0 | 0 | 111.6 | L60 L61 G67 | L60-Q64 HydrophobicContact CD2-CG 4.03Å; L60-Q64 WeakPolarHBondContact O-CG 3.28Å; L60-Q64 PolarHBondContact O-N 3.27Å; L61-Q64 PolarHBondContact O-N 2.85Å; Q64-G67 PolarHBondContact O-N 2.95Å |
| 65 | K | 74 | Confident | 68.7 | Low | 186 Ų | 186 | 84.2 Ų | 84.2 | 81% | 0.809 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -72.4 | -35.6 | -175.3 | -172.5 | 155.8 | -177.6 | 171.8 | 0 | 113.7 | L61 L62 G67 | L61-K65 VanDerWaalsContact O-CB 3.29Å; L61-K65 WeakPolarHBondContact O-CB 3.41Å; L61-K65 PolarHBondContact O-N 3.48Å; L62-K65 PolarHBondContact O-N 3.49Å; K65-G67 PolarHBondContact O-N 3.08Å |
| 66 | A | 66.9 | Low | 66.9 | Low | 19 Ų | 19 | 89 Ų | 89 | 16% | 0.157 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -71.2 | -19.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L62 W70 | L62-A66 VanDerWaalsContact O-CB 3.22Å; L62-A66 WeakPolarHBondContact O-CB 3.33Å; L62-A66 PolarHBondContact O-N 3.39Å; A66-W70 HydrophobicContact CB-CD2 4.17Å; A66-W70 HydrophobicContact CB-CE3 3.71Å; A66-W70 HydrophobicContact CB-CH2 3.23Å; A66-W70 HydrophobicContact CB-CZ2 3.68Å; A66-W70 HydrophobicContact CB-CZ3 3.23Å |
| 67 | G | 61.7 | Low | 65 | Low | 26 Ų | 26 | 96.8 Ų | 96.8 | 27% | 0.268 | 46% | 0.462 | S | S | . | . | trans | 65.6 | 178.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L63 Q64 K65 S69 W70 | L63-G67 PolarHBondContact O-N 3.25Å; Q64-G67 PolarHBondContact O-N 2.95Å; K65-G67 PolarHBondContact O-N 3.08Å; G67-S69 PolarHBondContact O-N 2.92Å; G67-W70 PolarHBondContact O-N 3.24Å; G67-W70 PolarHBondContact O-NE1 3.41Å | ||
| 68 | K | 53.1 | Low | 63.1 | Low | 217 Ų | 217 | 94.2 Ų | 94.2 | 94% | 0.943 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -14.2 | -176.1 | -144.9 | 176.2 | -173.8 | 179.3 | 0 | 114 | W70 | K68-W70 VanDerWaalsContact C-N 3.33Å; K68-W70 PolarHBondContact O-N 2.91Å |
| 69 | S | 53.6 | Low | 61.6 | Low | 57 Ų | 57 | 96.5 Ų | 96.5 | 40% | 0.399 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 33.4 | -179.3 | 47.4 | 0 | 0 | 0 | 0 | 114.1 | G67 N71 K72 Y73 | G67-S69 PolarHBondContact O-N 2.92Å; S69-N71 PolarHBondContact O-N 2.87Å; S69-N71 VanDerWaalsContact O-N 3.1Å; S69-K72 PolarHBondContact O-N 3.26Å; S69-Y73 WeakPolarHBondContact O-CD2 3.24Å; S69-Y73 WeakPolarHBondContact OG-CE2 3.45Å |
| 70 | W | 50.2 | Low | 60.3 | Low | 67 Ų | 67 | 95.4 Ų | 95.4 | 25% | 0.254 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -44 | -40.4 | 176.1 | -70.7 | 103.6 | 0 | 0 | 0 | 115.5 | L63 A66 G67 K68 K72 L80 | L63-W70 VanDerWaalsContact CA-CH2 3.5Å; L63-W70 VanDerWaalsContact CA-CZ2 3.44Å; L63-W70 HydrophobicContact CB-CH2 4.27Å; L63-W70 HydrophobicContact CB-CZ2 4.06Å; L63-W70 HydrophobicContact CD1-CH2 3.51Å; L63-W70 HydrophobicContact CD1-CZ2 3.14Å; L63-W70 HydrophobicContact CG-CH2 4.17Å; L63-W70 HydrophobicContact CG-CZ2 3.59Å; L63-W70 WeakPolarHBondContact O-CZ2 3.29Å; A66-W70 HydrophobicContact CB-CD2 4.17Å; A66-W70 HydrophobicContact CB-CE3 3.71Å; A66-W70 HydrophobicContact CB-CH2 3.23Å; A66-W70 HydrophobicContact CB-CZ2 3.68Å; A66-W70 HydrophobicContact CB-CZ3 3.23Å; G67-W70 PolarHBondContact O-N 3.24Å; G67-W70 PolarHBondContact O-NE1 3.41Å; K68-W70 VanDerWaalsContact C-N 3.33Å; K68-W70 PolarHBondContact O-N 2.91Å; W70-K72 PolarHBondContact O-N 3.48Å; W70-L80 HydrophobicContact CH2-CD2 4.22Å; W70-L80 HydrophobicContact CZ3-CD2 3.68Å |
| 71 | N | 50.4 | Low | 58.9 | Low | 143 Ų | 143 | 93.4 Ų | 93.4 | 77% | 0.765 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -66.1 | -19.3 | -176.4 | -159.4 | -86.9 | 0 | 0 | 0 | 112.4 | Y10 S69 | Y10-N71 PolarHBondContact OH-O 2.93Å; S69-N71 PolarHBondContact O-N 2.87Å; S69-N71 VanDerWaalsContact O-N 3.1Å |
| 72 | K | 48.3 | Very low | 57.4 | Low | 108 Ų | 108 | 98.3 Ų | 98.3 | 47% | 0.47 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -97.2 | -12.9 | -173.3 | -158.3 | 179.6 | -179.8 | -177.5 | 0 | 114.8 | I8 Y10 S69 W70 | I8-K72 HydrophobicContact CG2-CG 3.73Å; Y10-K72 WeakPolarHBondContact CE1-O 3.49Å; Y10-K72 WeakPolarHBondContact OH-CA 3.46Å; S69-K72 PolarHBondContact O-N 3.26Å; W70-K72 PolarHBondContact O-N 3.48Å |
| 73 | Y | 51 | Low | 56.5 | Low | 117 Ų | 117 | 99.9 Ų | 99.9 | 46% | 0.459 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | -22.3 | -169.7 | -67.1 | -73.4 | 0 | 0 | 0 | 115.6 | S69 | S69-Y73 WeakPolarHBondContact O-CD2 3.24Å; S69-Y73 WeakPolarHBondContact OG-CE2 3.45Å |
| 74 | F | 47.7 | Very low | 56.1 | Low | 48 Ų | 48 | 95.6 Ų | 95.6 | 21% | 0.211 | 48% | 0.476 | C | S | . | . | trans | -138.1 | 123.4 | -177 | -74.7 | -79.7 | 0 | 0 | 0 | 112.7 | N18 I22 Q76 L80 | N18-F74 HydrophobicContact CB-CE1 4.15Å; N18-F74 HydrophobicContact CB-CZ 3.88Å; I22-F74 HydrophobicContact CD1-CE1 3.52Å; I22-F74 HydrophobicContact CD1-CE2 4.21Å; I22-F74 HydrophobicContact CD1-CZ 3.24Å; F74-Q76 VanDerWaalsContact C-N 3.26Å; F74-Q76 PolarHBondContact O-N 3.26Å; F74-L80 HydrophobicContact CE1-CD1 4.37Å; F74-L80 HydrophobicContact CZ-CD1 4.46Å | ||
| 75 | I | 52.2 | Low | 55.7 | Low | 135 Ų | 135 | 90.8 Ų | 90.8 | 69% | 0.692 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -66 | -25.4 | 178.6 | -68.9 | 158.3 | 0 | 0 | 0 | 111.9 | ||
| 76 | Q | 48.7 | Very low | 55.8 | Low | 128 Ų | 128 | 90 Ų | 90 | 60% | 0.598 | 45% | 0.453 | S | S | * | . | trans | -147.2 | 109.5 | -174 | -157.7 | 150.7 | -44.8 | 0 | 0 | 113.4 | F74 S78 C79 | F74-Q76 VanDerWaalsContact C-N 3.26Å; F74-Q76 PolarHBondContact O-N 3.26Å; Q76-S78 PolarHBondContact O-N 3.25Å; Q76-C79 PolarHBondContact O-N 2.93Å | ||
| 77 | R | 47.1 | Very low | 56.5 | Low | 202 Ų | 202 | 91.8 Ų | 91.8 | 76% | 0.762 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -55.3 | -36.5 | 174.2 | -65.2 | -167.9 | -172.5 | -159.8 | 4.5 | 112.9 | C79 L80 T81 | R77-C79 PolarHBondContact O-N 3.14Å; R77-L80 PolarHBondContact O-N 3.3Å; R77-T81 PolarHBondContact O-N 3.31Å; R77-T81 PolarHBondContact O-OG1 2.63Å |
| 78 | S | 48.2 | Very low | 57.7 | Low | 70 Ų | 70 | 90.8 Ų | 90.8 | 49% | 0.49 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.5 | -34.6 | -171.5 | -163.1 | 0 | 0 | 0 | 0 | 113.3 | Q76 L80 Y82 | Q76-S78 PolarHBondContact O-N 3.25Å; S78-L80 VanDerWaalsContact C-N 3.34Å; S78-Y82 PolarHBondContact O-N 2.89Å |
| 79 | C | 53.9 | Low | 59.4 | Low | 54 Ų | 54 | 82.1 Ų | 82.1 | 37% | 0.365 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69.8 | -36.4 | 176.4 | -166.2 | 0 | 0 | 0 | 0 | 110.8 | Q76 R77 G83 | Q76-C79 PolarHBondContact O-N 2.93Å; R77-C79 PolarHBondContact O-N 3.14Å; C79-G83 WeakPolarHBondContact O-CA 3.29Å; C79-G83 PolarHBondContact O-N 3.46Å; C79-G83 VanDerWaalsContact O-N 3.11Å |
| 80 | L | 55.3 | Low | 61.1 | Low | 13 Ų | 13 | 84 Ų | 84 | 7% | 0.068 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -69.7 | -32 | 179.4 | -164.7 | 75.1 | 0 | 0 | 0 | 113.5 | I22 R26 L62 W70 F74 R77 S78 | I22-L80 HydrophobicContact CD1-CD1 3.25Å; I22-L80 HydrophobicContact CG1-CD1 4.13Å; I22-L80 HydrophobicContact CG2-CD1 3.91Å; R26-L80 PolarHBondContact NH2-O 3.46Å; L62-L80 HydrophobicContact CD1-CD1 4.43Å; W70-L80 HydrophobicContact CH2-CD2 4.22Å; W70-L80 HydrophobicContact CZ3-CD2 3.68Å; F74-L80 HydrophobicContact CE1-CD1 4.37Å; F74-L80 HydrophobicContact CZ-CD1 4.46Å; R77-L80 PolarHBondContact O-N 3.3Å; S78-L80 VanDerWaalsContact C-N 3.34Å |
| 81 | T | 55.1 | Low | 63.2 | Low | 44 Ų | 44 | 82.5 Ų | 82.5 | 27% | 0.27 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -95.3 | -41.5 | -176.7 | 53 | 0 | 0 | 0 | 0 | 112.9 | R26 H55 R77 | R26-T81 PolarHBondContact NH2-O 3.5Å; H55-T81 PolarHBondContact CE1-O 3.32Å; H55-T81 VanDerWaalsContact CE1-O 3.23Å; R77-T81 PolarHBondContact O-N 3.31Å; R77-T81 PolarHBondContact O-OG1 2.63Å |
| 82 | Y | 53.3 | Low | 65.2 | Low | 170 Ų | 170 | 75.7 Ų | 75.7 | 67% | 0.667 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -119.4 | -7.9 | -171.1 | -59.6 | -74.3 | 0 | 0 | 0 | 114.3 | S78 G84 | S78-Y82 PolarHBondContact O-N 2.89Å; Y82-G84 PolarHBondContact O-N 3.2Å |
| 83 | G | 61.4 | Low | 67.3 | Low | 57 Ų | 57 | 73.3 Ų | 73.3 | 59% | 0.588 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -4.2 | -165.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | C79 | C79-G83 WeakPolarHBondContact O-CA 3.29Å; C79-G83 PolarHBondContact O-N 3.46Å; C79-G83 VanDerWaalsContact O-N 3.11Å |
| 84 | G | 67.7 | Low | 69.3 | Low | 14 Ų | 14 | 72.4 Ų | 72.4 | 14% | 0.144 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -148 | 4.9 | -173 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y82 F86 G87 E88 | Y82-G84 PolarHBondContact O-N 3.2Å; G84-F86 PolarHBondContact O-N 3.44Å; G84-F86 VanDerWaalsContact O-N 3.11Å; G84-G87 PolarHBondContact O-N 3.09Å; G84-E88 PolarHBondContact O-N 3.06Å |
| 85 | V | 69.8 | Low | 71.5 | Confident | 32 Ų | 32 | 73.5 Ų | 73.5 | 19% | 0.194 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -56.6 | -35 | -173.6 | -74.7 | 0 | 0 | 0 | 0 | 113.3 | Y51 H55 L89 | Y51-V85 PolarHBondContact OH-O 3.45Å; H55-V85 WeakPolarHBondContact CE1-CG1 3.39Å; H55-V85 WeakPolarHBondContact NE2-CG1 3.46Å; V85-L89 VanDerWaalsContact O-CB 3.29Å; V85-L89 WeakPolarHBondContact O-CB 3.28Å; V85-L89 PolarHBondContact O-N 2.83Å |
| 86 | F | 76 | Confident | 73.5 | Confident | 169 Ų | 169 | 68 Ų | 68 | 74% | 0.741 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -79.6 | -31.4 | 178 | -71.7 | -77.1 | 0 | 0 | 0 | 112.9 | G84 | G84-F86 PolarHBondContact O-N 3.44Å; G84-F86 VanDerWaalsContact O-N 3.11Å |
| 87 | G | 81 | Confident | 75.5 | Confident | 57 Ų | 57 | 65.6 Ų | 65.6 | 59% | 0.588 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -68.1 | -43.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G84 | G84-G87 PolarHBondContact O-N 3.09Å |
| 88 | E | 87.2 | Confident | 77.7 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.019 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -73.3 | -29.5 | 178.3 | -70.5 | 149.2 | -148.9 | 0 | 0 | 113.2 | R26 I27 A30 H55 G84 T90 T91 Y92 | R26-E88 HydrophobicContact CB-CG 3.95Å; R26-E88 WeakPolarHBondContact CB-OE1 3.33Å; R26-E88 WeakPolarHBondContact CD-OE1 3.32Å; R26-E88 WeakPolarHBondContact CG-OE1 3.33Å; R26-E88 IonicContact CZ-OE1 3.8Å; R26-E88 IonicContact NE-OE1 3.91Å; R26-E88 IonicContact NH1-OE1 2.89Å; R26-E88 PolarHBondContact NH1-OE1 3.47Å; R26-E88 IonicContact NH1-OE2 3.24Å; R26-E88 PolarHBondContact NH1-OE2 2.85Å; I27-E88 HydrophobicContact CG1-CG 4.41Å; A30-E88 HydrophobicContact CB-CB 3.99Å; H55-E88 IonicContact CD2-OE2 3.76Å; G84-E88 PolarHBondContact O-N 3.06Å; E88-T90 VanDerWaalsContact C-N 3.26Å; E88-T90 PolarHBondContact O-N 3.46Å; E88-T91 WeakPolarHBondContact O-CB 3.26Å; E88-T91 PolarHBondContact O-N 3.47Å; E88-T91 VanDerWaalsContact O-N 3.14Å; E88-Y92 PolarHBondContact O-N 3.32Å |
| 89 | L | 89.4 | Confident | 79.8 | Confident | 36 Ų | 36 | 59.7 Ų | 59.7 | 19% | 0.188 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.2 | -39.9 | -179.9 | -177.7 | 69.8 | 0 | 0 | 0 | 111.6 | Y51 V85 T91 Y92 I93 | Y51-L89 HydrophobicContact CD1-CD1 3.7Å; Y51-L89 HydrophobicContact CD2-CD1 4.19Å; Y51-L89 HydrophobicContact CE1-CB 4.42Å; Y51-L89 HydrophobicContact CE1-CD1 3.67Å; Y51-L89 HydrophobicContact CE2-CD1 4.17Å; Y51-L89 HydrophobicContact CG-CD1 3.96Å; Y51-L89 PolarHBondContact OH-N 2.89Å; V85-L89 VanDerWaalsContact O-CB 3.29Å; V85-L89 WeakPolarHBondContact O-CB 3.28Å; V85-L89 PolarHBondContact O-N 2.83Å; L89-T91 PolarHBondContact O-N 3.07Å; L89-Y92 WeakPolarHBondContact O-CB 3.37Å; L89-Y92 PolarHBondContact O-N 3.4Å; L89-I93 HydrophobicContact CD1-CD1 4.08Å; L89-I93 HydrophobicContact CD1-CG1 4.26Å; L89-I93 HydrophobicContact CD2-CD1 4.22Å; L89-I93 HydrophobicContact CG-CD1 3.74Å; L89-I93 HydrophobicContact CG-CG1 4.28Å; L89-I93 VanDerWaalsContact O-CG1 3.3Å; L89-I93 WeakPolarHBondContact O-CG1 3.11Å; L89-I93 PolarHBondContact O-N 3.42Å |
| 90 | T | 90.3 | Very high | 81.6 | Confident | 96 Ų | 96 | 60.8 Ų | 60.8 | 59% | 0.589 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.8 | -46.5 | 177.2 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | E88 Y92 I93 L94 | E88-T90 VanDerWaalsContact C-N 3.26Å; E88-T90 PolarHBondContact O-N 3.46Å; T90-Y92 VanDerWaalsContact C-N 3.33Å; T90-Y92 PolarHBondContact O-N 2.96Å; T90-I93 PolarHBondContact O-N 2.99Å; T90-L94 VanDerWaalsContact O-CB 3.29Å; T90-L94 WeakPolarHBondContact O-CB 3.16Å; T90-L94 PolarHBondContact O-N 3.42Å |
| 91 | T | 92.4 | Very high | 83.2 | Confident | 36 Ų | 36 | 61 Ų | 61 | 22% | 0.221 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 176 | -55.6 | 0 | 0 | 0 | 0 | 110.9 | I27 A31 E88 L89 L94 F95 | I27-T91 HydrophobicContact CG2-CG2 4.33Å; A31-T91 HydrophobicContact CB-CG2 4.21Å; E88-T91 WeakPolarHBondContact O-CB 3.26Å; E88-T91 PolarHBondContact O-N 3.47Å; E88-T91 VanDerWaalsContact O-N 3.14Å; L89-T91 PolarHBondContact O-N 3.07Å; T91-L94 PolarHBondContact O-N 3.29Å; T91-F95 HydrophobicContact CG2-CD2 3.78Å; T91-F95 HydrophobicContact CG2-CE2 3.76Å; T91-F95 VanDerWaalsContact O-CD2 3.28Å; T91-F95 WeakPolarHBondContact O-CD2 3.16Å; T91-F95 PolarHBondContact O-N 3.23Å; T91-F95 VanDerWaalsContact O-N 3.07Å |
| 92 | Y | 93.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.3 | -53.1 | 175.9 | 173.6 | -94.7 | 0 | 0 | 0 | 112.4 | A30 S33 G34 A37 G47 F50 Y51 E88 L89 T90 L94 F95 W96 | A30-Y92 WeakPolarHBondContact O-CD2 3.41Å; S33-Y92 WeakPolarHBondContact OG-CD2 3.47Å; G34-Y92 VanDerWaalsContact CA-CD2 3.47Å; G34-Y92 VanDerWaalsContact CA-CE2 3.48Å; G34-Y92 VanDerWaalsContact N-CD2 3.35Å; A37-Y92 HydrophobicContact CB-CE2 4.33Å; A37-Y92 VanDerWaalsContact CB-OH 3.24Å; A37-Y92 WeakPolarHBondContact CB-OH 3.45Å; G47-Y92 PolarHBondContact O-OH 3.36Å; F50-Y92 HydrophobicContact CD1-CE2 4.31Å; Y51-Y92 AromaticContact CD2-CD1 3.79Å; Y51-Y92 HydrophobicContact CD2-CD1 3.79Å; Y51-Y92 AromaticContact CD2-CD2 3.77Å; Y51-Y92 HydrophobicContact CD2-CD2 3.77Å; Y51-Y92 HydrophobicContact CD2-CE1 4.31Å; Y51-Y92 HydrophobicContact CD2-CE2 4.28Å; Y51-Y92 AromaticContact CD2-CG 3.49Å; Y51-Y92 HydrophobicContact CD2-CG 3.49Å; Y51-Y92 VanDerWaalsContact CD2-CG 3.49Å; Y51-Y92 HydrophobicContact CE2-CG 4.16Å; Y51-Y92 HydrophobicContact CG-CD1 4.19Å; Y51-Y92 HydrophobicContact CG-CE1 4.39Å; Y51-Y92 HydrophobicContact CG-CG 4.33Å; E88-Y92 PolarHBondContact O-N 3.32Å; L89-Y92 WeakPolarHBondContact O-CB 3.37Å; L89-Y92 PolarHBondContact O-N 3.4Å; T90-Y92 VanDerWaalsContact C-N 3.33Å; T90-Y92 PolarHBondContact O-N 2.96Å; Y92-L94 VanDerWaalsContact C-N 3.27Å; Y92-L94 PolarHBondContact O-N 3.38Å; Y92-F95 PolarHBondContact O-N 2.93Å; Y92-W96 HydrophobicContact CD1-CE3 4.48Å; Y92-W96 HydrophobicContact CE1-CB 4.35Å; Y92-W96 HydrophobicContact CE1-CD2 4.26Å; Y92-W96 AromaticContact CE1-CE3 3.9Å; Y92-W96 HydrophobicContact CE1-CE3 3.9Å; Y92-W96 HydrophobicContact CE1-CG 4.46Å; Y92-W96 WeakPolarHBondContact O-CB 3.3Å; Y92-W96 PolarHBondContact O-N 2.86Å |
| 93 | I | 92.6 | Very high | 86.7 | Confident | 57 Ų | 57 | 58.6 Ų | 58.6 | 29% | 0.292 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.5 | -39.1 | -178.8 | -66.6 | 170.1 | 0 | 0 | 0 | 110.5 | F48 L89 T90 W96 T97 | F48-I93 HydrophobicContact CE1-CD1 4.27Å; L89-I93 HydrophobicContact CD1-CD1 4.08Å; L89-I93 HydrophobicContact CD1-CG1 4.26Å; L89-I93 HydrophobicContact CD2-CD1 4.22Å; L89-I93 HydrophobicContact CG-CD1 3.74Å; L89-I93 HydrophobicContact CG-CG1 4.28Å; L89-I93 VanDerWaalsContact O-CG1 3.3Å; L89-I93 WeakPolarHBondContact O-CG1 3.11Å; L89-I93 PolarHBondContact O-N 3.42Å; T90-I93 PolarHBondContact O-N 2.99Å; I93-W96 HydrophobicContact CG1-CE3 4.41Å; I93-W96 PolarHBondContact O-N 3.2Å; I93-T97 HydrophobicContact CG2-CG2 4.18Å; I93-T97 WeakPolarHBondContact O-CB 3.49Å; I93-T97 WeakPolarHBondContact O-CG2 3.29Å; I93-T97 PolarHBondContact O-N 3.28Å; I93-T97 PolarHBondContact O-OG1 3.49Å |
| 94 | L | 92.7 | Very high | 87.7 | Confident | 99 Ų | 99 | 60.4 Ų | 60.4 | 52% | 0.518 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.7 | -55.2 | 177.3 | -173.6 | 157.1 | 0 | 0 | 0 | 110.7 | T90 T91 Y92 W96 T97 F98 | T90-L94 VanDerWaalsContact O-CB 3.29Å; T90-L94 WeakPolarHBondContact O-CB 3.16Å; T90-L94 PolarHBondContact O-N 3.42Å; T91-L94 PolarHBondContact O-N 3.29Å; Y92-L94 VanDerWaalsContact C-N 3.27Å; Y92-L94 PolarHBondContact O-N 3.38Å; L94-W96 VanDerWaalsContact C-N 3.35Å; L94-W96 PolarHBondContact O-N 3.43Å; L94-T97 PolarHBondContact O-OG1 2.75Å; L94-F98 WeakPolarHBondContact O-CB 3.44Å; L94-F98 PolarHBondContact O-N 2.96Å |
| 95 | F | 94.3 | Very high | 88.3 | Confident | 71 Ų | 71 | 64.7 Ų | 64.7 | 31% | 0.311 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.7 | -36.6 | 179.6 | -79.9 | -73.8 | 0 | 0 | 0 | 112.7 | A31 T91 Y92 I99 | A31-F95 HydrophobicContact CB-CD2 3.58Å; A31-F95 HydrophobicContact CB-CE2 3.57Å; A31-F95 HydrophobicContact CB-CG 4.27Å; A31-F95 HydrophobicContact CB-CZ 4.24Å; T91-F95 HydrophobicContact CG2-CD2 3.78Å; T91-F95 HydrophobicContact CG2-CE2 3.76Å; T91-F95 VanDerWaalsContact O-CD2 3.28Å; T91-F95 WeakPolarHBondContact O-CD2 3.16Å; T91-F95 PolarHBondContact O-N 3.23Å; T91-F95 VanDerWaalsContact O-N 3.07Å; Y92-F95 PolarHBondContact O-N 2.93Å; F95-I99 WeakPolarHBondContact O-CB 3.15Å; F95-I99 VanDerWaalsContact O-CG1 3.26Å; F95-I99 WeakPolarHBondContact O-CG1 3.32Å; F95-I99 PolarHBondContact O-N 2.77Å |
| 96 | W | 93 | Very high | 88.3 | Confident | 20 Ų | 20 | 74.4 Ų | 74.4 | 8% | 0.076 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.2 | -55.6 | 177.2 | 171.1 | 33.1 | 0 | 0 | 0 | 112 | G34 A37 G38 L42 F48 Y92 I93 L94 Y100 | G34-W96 VanDerWaalsContact O-CA 3.28Å; G34-W96 WeakPolarHBondContact O-CA 3.47Å; A37-W96 HydrophobicContact CB-CG 4.32Å; G38-W96 WeakPolarHBondContact CA-O 3.17Å; L42-W96 WeakPolarHBondContact O-CZ2 3.44Å; L42-W96 PolarHBondContact O-NE1 3.42Å; F48-W96 HydrophobicContact CD2-CH2 4.29Å; F48-W96 HydrophobicContact CD2-CZ3 4.36Å; F48-W96 HydrophobicContact CE2-CH2 4.2Å; F48-W96 HydrophobicContact CE2-CZ3 4.07Å; F48-W96 HydrophobicContact CZ-CZ3 4.27Å; Y92-W96 HydrophobicContact CD1-CE3 4.48Å; Y92-W96 HydrophobicContact CE1-CB 4.35Å; Y92-W96 HydrophobicContact CE1-CD2 4.26Å; Y92-W96 AromaticContact CE1-CE3 3.9Å; Y92-W96 HydrophobicContact CE1-CE3 3.9Å; Y92-W96 HydrophobicContact CE1-CG 4.46Å; Y92-W96 WeakPolarHBondContact O-CB 3.3Å; Y92-W96 PolarHBondContact O-N 2.86Å; I93-W96 HydrophobicContact CG1-CE3 4.41Å; I93-W96 PolarHBondContact O-N 3.2Å; L94-W96 VanDerWaalsContact C-N 3.35Å; L94-W96 PolarHBondContact O-N 3.43Å; W96-Y100 WeakPolarHBondContact O-CB 3.4Å; W96-Y100 PolarHBondContact O-N 3.43Å |
| 97 | T | 91.6 | Very high | 88.9 | Confident | 77 Ų | 77 | 69.7 Ų | 69.7 | 47% | 0.472 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70.2 | -36.8 | -178.1 | 55.9 | 0 | 0 | 0 | 0 | 112.1 | I93 L94 G101 | I93-T97 HydrophobicContact CG2-CG2 4.18Å; I93-T97 WeakPolarHBondContact O-CB 3.49Å; I93-T97 WeakPolarHBondContact O-CG2 3.29Å; I93-T97 PolarHBondContact O-N 3.28Å; I93-T97 PolarHBondContact O-OG1 3.49Å; L94-T97 PolarHBondContact O-OG1 2.75Å; T97-G101 PolarHBondContact O-N 3.38Å |
| 98 | F | 92.4 | Very high | 89.3 | Confident | 128 Ų | 128 | 70.3 Ų | 70.3 | 56% | 0.561 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.4 | -51.9 | 176.1 | 178.7 | -103.6 | 0 | 0 | 0 | 112 | L94 G101 M102 | L94-F98 WeakPolarHBondContact O-CB 3.44Å; L94-F98 PolarHBondContact O-N 2.96Å; F98-G101 PolarHBondContact O-N 2.99Å; F98-M102 PolarHBondContact O-N 3.15Å |
| 99 | I | 93.5 | Very high | 89.4 | Confident | 20 Ų | 20 | 74 Ų | 74 | 10% | 0.103 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -72.5 | -35.3 | -179.1 | -62 | -64.3 | 0 | 0 | 0 | 111.5 | C35 I39 F95 G101 M102 V103 | C35-I99 HydrophobicContact CB-CG1 4.4Å; I39-I99 HydrophobicContact CG1-CG2 3.68Å; F95-I99 WeakPolarHBondContact O-CB 3.15Å; F95-I99 VanDerWaalsContact O-CG1 3.26Å; F95-I99 WeakPolarHBondContact O-CG1 3.32Å; F95-I99 PolarHBondContact O-N 2.77Å; I99-G101 VanDerWaalsContact C-N 3.32Å; I99-G101 PolarHBondContact O-N 3.42Å; I99-M102 HydrophobicContact CD1-CE 3.68Å; I99-M102 PolarHBondContact O-N 3.01Å; I99-M102 VanDerWaalsContact O-N 3.15Å; I99-V103 HydrophobicContact CG2-CG2 4.16Å; I99-V103 WeakPolarHBondContact O-CG2 3.49Å; I99-V103 PolarHBondContact O-N 3.37Å |
| 100 | Y | 90.6 | Very high | 89.4 | Confident | 76 Ų | 76 | 76.2 Ų | 76.2 | 30% | 0.298 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.3 | -48 | 171.8 | -178.2 | -88.1 | 0 | 0 | 0 | 111.1 | G41 T43 W96 M102 V103 H104 | G41-Y100 WeakPolarHBondContact O-CE2 3.41Å; T43-Y100 HydrophobicContact CG2-CD2 4.23Å; T43-Y100 HydrophobicContact CG2-CE1 4.29Å; T43-Y100 HydrophobicContact CG2-CE2 3.36Å; T43-Y100 VanDerWaalsContact CG2-CZ 3.4Å; T43-Y100 VanDerWaalsContact CG2-OH 3.3Å; T43-Y100 WeakPolarHBondContact CG2-OH 3.04Å; W96-Y100 WeakPolarHBondContact O-CB 3.4Å; W96-Y100 PolarHBondContact O-N 3.43Å; Y100-M102 VanDerWaalsContact C-N 3.3Å; Y100-M102 PolarHBondContact O-N 3.47Å; Y100-V103 PolarHBondContact O-N 2.92Å; Y100-H104 AromaticContact CD2-CD2 3.75Å; Y100-H104 HydrophobicContact CE1-CB 4.23Å; Y100-H104 HydrophobicContact CE2-CB 4.29Å; Y100-H104 AromaticContact CE2-CD2 3.82Å; Y100-H104 AromaticContact CE2-CG 3.95Å; Y100-H104 WeakPolarHBondContact O-CB 3.49Å; Y100-H104 PolarHBondContact O-N 2.97Å |
| 101 | G | 90.3 | Very high | 89.4 | Confident | 17 Ų | 17 | 75 Ų | 75 | 18% | 0.175 | 37% | 0.369 | C | S | . | . | I | π-helix | trans | -57 | -44.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T97 F98 I99 V103 V105 Y106 | T97-G101 PolarHBondContact O-N 3.38Å; F98-G101 PolarHBondContact O-N 2.99Å; I99-G101 VanDerWaalsContact C-N 3.32Å; I99-G101 PolarHBondContact O-N 3.42Å; G101-V103 PolarHBondContact O-N 2.93Å; G101-V105 WeakPolarHBondContact O-CB 3.18Å; G101-V105 PolarHBondContact O-N 3.46Å; G101-V105 VanDerWaalsContact O-N 3.14Å; G101-Y106 VanDerWaalsContact O-CD2 3.28Å; G101-Y106 WeakPolarHBondContact O-CD2 3.28Å; G101-Y106 PolarHBondContact O-N 3.14Å |
| 102 | M | 90.1 | Very high | 89.2 | Confident | 97 Ų | 97 | 77.6 Ų | 77.6 | 48% | 0.478 | 38% | 0.379 | S | S | . | . | I | π-helix | trans | -65.3 | -33.9 | -178.8 | -167.8 | 178.1 | 70.5 | 0 | 0 | 114.9 | F98 I99 Y100 | F98-M102 PolarHBondContact O-N 3.15Å; I99-M102 HydrophobicContact CD1-CE 3.68Å; I99-M102 PolarHBondContact O-N 3.01Å; I99-M102 VanDerWaalsContact O-N 3.15Å; Y100-M102 VanDerWaalsContact C-N 3.3Å; Y100-M102 PolarHBondContact O-N 3.47Å |
| 103 | V | 90.6 | Very high | 88.9 | Confident | 67 Ų | 67 | 83.1 Ų | 83.1 | 41% | 0.406 | 41% | 0.406 | S | S | . | . | I | π-helix | trans | -99.7 | -31.3 | -172.7 | 176.3 | 0 | 0 | 0 | 0 | 113.1 | I99 Y100 G101 | I99-V103 HydrophobicContact CG2-CG2 4.16Å; I99-V103 WeakPolarHBondContact O-CG2 3.49Å; I99-V103 PolarHBondContact O-N 3.37Å; Y100-V103 PolarHBondContact O-N 2.92Å; G101-V103 PolarHBondContact O-N 2.93Å |
| 104 | H | 82.1 | Confident | 88.6 | Confident | 95 Ų | 95 | 85.2 Ų | 85.2 | 44% | 0.44 | 42% | 0.415 | S | S | . | . | I | π-helix | trans | -105.2 | -20.5 | -174.8 | -67.6 | -88.1 | 0 | 0 | 0 | 113.4 | I39 G41 Y100 | I39-H104 PolarHBondContact O-NE2 3.31Å; G41-H104 WeakPolarHBondContact CA-NE2 3.3Å; G41-H104 PolarHBondContact N-NE2 3.35Å; Y100-H104 AromaticContact CD2-CD2 3.75Å; Y100-H104 HydrophobicContact CE1-CB 4.23Å; Y100-H104 HydrophobicContact CE2-CB 4.29Å; Y100-H104 AromaticContact CE2-CD2 3.82Å; Y100-H104 AromaticContact CE2-CG 3.95Å; Y100-H104 WeakPolarHBondContact O-CB 3.49Å; Y100-H104 PolarHBondContact O-N 2.97Å |
| 105 | V | 81 | Confident | 88.2 | Confident | 104 Ų | 104 | 84 Ų | 84 | 63% | 0.63 | 41% | 0.406 | S | S | * | . | I | π-helix | trans | -100 | -33.4 | 177.8 | -175.3 | 0 | 0 | 0 | 0 | 112 | G101 | G101-V105 WeakPolarHBondContact O-CB 3.18Å; G101-V105 PolarHBondContact O-N 3.46Å; G101-V105 VanDerWaalsContact O-N 3.14Å |
| 106 | Y | 69.3 | Low | 87.7 | Confident | 236 Ų | 236 | 85.2 Ų | 85.2 | 93% | 0.925 | 42% | 0.415 | S | S | * | . | trans | -108.2 | 0 | 176.4 | -58.7 | -78.9 | 0 | 0 | 0 | 110.6 | G101 | G101-Y106 VanDerWaalsContact O-CD2 3.28Å; G101-Y106 WeakPolarHBondContact O-CD2 3.28Å; G101-Y106 PolarHBondContact O-N 3.14Å |
Retrieved 106 of 106 residues in 231.6 ms
(Link to these results)