| 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 | 39.1 | Very low | 60.4 | Low | 226 Ų | 226 | 137.2 Ų | 137.2 | 100% | 1.113 | 74% | 0.737 | S | S | * | * | 0 | 108.1 | 0 | 51.4 | -169.8 | -89.2 | 0 | 0 | 107.9 | S3 | M1-S3 PolarHBondContact O-N 3.39Š| |||
| 2 | V | 63.3 | Low | 61.7 | Low | 135 Ų | 135 | 133.8 Ų | 133.8 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | trans | -78.1 | 113.4 | 177.9 | 171.5 | 0 | 0 | 0 | 0 | 107.4 | L4 | V2-L4 PolarHBondContact O-N 3.13Å; V2-L4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | S | 53 | Low | 63 | Low | 100 Ų | 100 | 131.5 Ų | 131.5 | 70% | 0.699 | 70% | 0.695 | S | S | * | * | trans | -68.9 | 104 | 173.7 | -80.4 | 0 | 0 | 0 | 0 | 109.6 | M1 K5 | M1-S3 PolarHBondContact O-N 3.39Å; S3-K5 PolarHBondContact O-N 2.89Å | ||
| 4 | L | 58.8 | Low | 64.5 | Low | 160 Ų | 160 | 131.8 Ų | 131.8 | 84% | 0.838 | 69% | 0.687 | S | S | * | * | trans | -74 | 52.1 | 169.4 | -66.6 | 167.8 | 0 | 0 | 0 | 111 | V2 Q6 | V2-L4 PolarHBondContact O-N 3.13Å; V2-L4 VanDerWaalsContact O-N 3.13Å; L4-Q6 PolarHBondContact O-N 3.44Å | ||
| 5 | K | 58.4 | Low | 65.9 | Low | 192 Ų | 192 | 125.3 Ų | 125.3 | 84% | 0.835 | 67% | 0.665 | S | S | * | * | trans | -96.2 | 44.5 | 168.4 | -123.6 | -168.3 | 176.9 | 173.4 | 0 | 110.4 | S3 E7 | S3-K5 PolarHBondContact O-N 2.89Å; K5-E7 PolarHBondContact O-N 2.84Å | ||
| 6 | Q | 59.5 | Low | 67 | Low | 155 Ų | 155 | 121.6 Ų | 121.6 | 72% | 0.724 | 66% | 0.657 | S | S | * | * | trans | -67.9 | 105.5 | 169.7 | -169.4 | 158.9 | -31.9 | 0 | 0 | 106.3 | L4 V8 | L4-Q6 PolarHBondContact O-N 3.44Å; Q6-V8 PolarHBondContact O-N 3.03Å | ||
| 7 | E | 61.2 | Low | 68 | Low | 181 Ų | 181 | 119.2 Ų | 119.2 | 85% | 0.846 | 65% | 0.648 | S | S | * | * | trans | -59.1 | 96.7 | 165.6 | -62.9 | -169.8 | 140.3 | 0 | 0 | 105.9 | K5 N9 | K5-E7 PolarHBondContact O-N 2.84Å; E7-N9 VanDerWaalsContact C-N 3.32Å; E7-N9 PolarHBondContact O-N 2.84Å | ||
| 8 | V | 61.9 | Low | 69.1 | Low | 78 Ų | 78 | 116.6 Ų | 116.6 | 47% | 0.473 | 63% | 0.632 | S | S | . | * | trans | -61.1 | 103 | 177 | -167.9 | 0 | 0 | 0 | 0 | 105.2 | Q6 D12 Y13 | Q6-V8 PolarHBondContact O-N 3.03Å; V8-D12 HydrophobicContact CG1-CB 4.1Å; V8-Y13 HydrophobicContact CG1-CE2 4.19Å | ||
| 9 | N | 67.1 | Low | 70.1 | Confident | 110 Ų | 110 | 115.8 Ų | 115.8 | 59% | 0.588 | 63% | 0.631 | S | S | * | * | trans | -65.2 | 144.1 | -175.1 | -169.7 | 5.3 | 0 | 0 | 0 | 107.3 | E7 A11 D12 | E7-N9 VanDerWaalsContact C-N 3.32Å; E7-N9 PolarHBondContact O-N 2.84Å; N9-A11 HydrophobicContact CB-CB 4.41Å; N9-A11 PolarHBondContact O-N 3.34Å; N9-D12 PolarHBondContact O-N 3.29Å | ||
| 10 | V | 69 | Low | 70.8 | Confident | 114 Ų | 114 | 113 Ų | 113 | 69% | 0.691 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -54.5 | -24.2 | 180 | -174.9 | 0 | 0 | 0 | 0 | 111.5 | D12 Y13 F14 | V10-D12 VanDerWaalsContact C-N 3.31Å; V10-D12 PolarHBondContact O-N 3.18Å; V10-Y13 PolarHBondContact O-N 3.2Å; V10-F14 PolarHBondContact O-N 3.25Å |
| 11 | A | 72.6 | Confident | 71.6 | Confident | 58 Ų | 58 | 110.5 Ų | 110.5 | 48% | 0.479 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -56 | -35.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | N9 Y13 F14 G15 | N9-A11 HydrophobicContact CB-CB 4.41Å; N9-A11 PolarHBondContact O-N 3.34Å; A11-Y13 VanDerWaalsContact C-N 3.32Å; A11-Y13 PolarHBondContact O-N 3.31Å; A11-F14 WeakPolarHBondContact O-CB 3.2Å; A11-F14 PolarHBondContact O-N 3.44Å; A11-F14 VanDerWaalsContact O-N 3.14Å; A11-G15 PolarHBondContact O-N 3.36Å |
| 12 | D | 76.3 | Confident | 74 | Confident | 97 Ų | 97 | 104.2 Ų | 104.2 | 52% | 0.519 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.9 | -35.5 | -178.8 | -70.7 | -34.9 | 0 | 0 | 0 | 111.2 | V8 N9 V10 F14 G15 | V8-D12 HydrophobicContact CG1-CB 4.1Å; N9-D12 PolarHBondContact O-N 3.29Å; V10-D12 VanDerWaalsContact C-N 3.31Å; V10-D12 PolarHBondContact O-N 3.18Å; D12-F14 VanDerWaalsContact C-N 3.3Å; D12-F14 PolarHBondContact O-N 3.29Å; D12-G15 PolarHBondContact O-N 2.91Å |
| 13 | Y | 78.6 | Confident | 75.2 | Confident | 104 Ų | 104 | 103.7 Ų | 103.7 | 41% | 0.408 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.1 | -32.8 | 173.4 | -62.1 | -65.6 | 0 | 0 | 0 | 112.2 | V8 V10 A11 G15 A16 V17 I77 | V8-Y13 HydrophobicContact CG1-CE2 4.19Å; V10-Y13 PolarHBondContact O-N 3.2Å; A11-Y13 VanDerWaalsContact C-N 3.32Å; A11-Y13 PolarHBondContact O-N 3.31Å; Y13-G15 VanDerWaalsContact C-N 3.29Å; Y13-G15 PolarHBondContact O-N 3.25Å; Y13-A16 PolarHBondContact O-N 2.91Å; Y13-V17 WeakPolarHBondContact O-CG2 3.42Å; Y13-V17 PolarHBondContact O-N 3.18Å; Y13-I77 HydrophobicContact CD1-CD1 3.71Å; Y13-I77 HydrophobicContact CD1-CG1 3.97Å; Y13-I77 HydrophobicContact CE1-CD1 3.29Å; Y13-I77 HydrophobicContact CE1-CG1 3.44Å; Y13-I77 VanDerWaalsContact CE1-CG1 3.44Å |
| 14 | F | 84.8 | Confident | 76.6 | Confident | 135 Ų | 135 | 101 Ų | 101 | 59% | 0.592 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.1 | -38.3 | 178.4 | -166.7 | -111.4 | 0 | 0 | 0 | 111.6 | V10 A11 D12 A16 V17 I18 | V10-F14 PolarHBondContact O-N 3.25Å; A11-F14 WeakPolarHBondContact O-CB 3.2Å; A11-F14 PolarHBondContact O-N 3.44Å; A11-F14 VanDerWaalsContact O-N 3.14Å; D12-F14 VanDerWaalsContact C-N 3.3Å; D12-F14 PolarHBondContact O-N 3.29Å; F14-A16 PolarHBondContact O-N 2.82Å; F14-V17 PolarHBondContact O-N 3.1Å; F14-I18 HydrophobicContact CD1-CD1 3.38Å; F14-I18 HydrophobicContact CD1-CG1 4.13Å; F14-I18 HydrophobicContact CE1-CD1 3.3Å; F14-I18 HydrophobicContact CE1-CG1 3.96Å; F14-I18 HydrophobicContact CG-CD1 4.25Å; F14-I18 HydrophobicContact CZ-CD1 4.09Å; F14-I18 HydrophobicContact CZ-CG1 4.27Å; F14-I18 VanDerWaalsContact O-CG1 3.3Å; F14-I18 WeakPolarHBondContact O-CG1 3.13Å; F14-I18 PolarHBondContact O-N 2.9Å |
| 15 | G | 84.9 | Confident | 78 | Confident | 34 Ų | 34 | 97.4 Ų | 97.4 | 35% | 0.351 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.5 | -48.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A11 D12 Y13 V17 I18 V19 | A11-G15 PolarHBondContact O-N 3.36Å; D12-G15 PolarHBondContact O-N 2.91Å; Y13-G15 VanDerWaalsContact C-N 3.29Å; Y13-G15 PolarHBondContact O-N 3.25Å; G15-V17 VanDerWaalsContact C-N 3.33Å; G15-V17 PolarHBondContact O-N 2.95Å; G15-I18 PolarHBondContact O-N 3.38Å; G15-V19 WeakPolarHBondContact O-CG2 3.07Å; G15-V19 PolarHBondContact O-N 3.44Å; G15-V19 VanDerWaalsContact O-N 3.1Å |
| 16 | A | 83.1 | Confident | 79.4 | Confident | 66 Ų | 66 | 92.7 Ų | 92.7 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y13 F14 F20 | Y13-A16 PolarHBondContact O-N 2.91Å; F14-A16 PolarHBondContact O-N 2.82Å; A16-F20 WeakPolarHBondContact O-CB 3.45Å; A16-F20 PolarHBondContact O-N 3.43Å |
| 17 | V | 84.3 | Confident | 80.7 | Confident | 81 Ų | 81 | 89 Ų | 89 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 177.6 | 174.1 | 0 | 0 | 0 | 0 | 111.8 | Y13 F14 G15 F20 C21 | Y13-V17 WeakPolarHBondContact O-CG2 3.42Å; Y13-V17 PolarHBondContact O-N 3.18Å; F14-V17 PolarHBondContact O-N 3.1Å; G15-V17 VanDerWaalsContact C-N 3.33Å; G15-V17 PolarHBondContact O-N 2.95Å; V17-F20 WeakPolarHBondContact O-CB 3.35Å; V17-F20 PolarHBondContact O-N 3.27Å; V17-C21 PolarHBondContact O-N 3.5Å; V17-C21 PolarHBondContact O-SG 3.41Å |
| 18 | I | 87 | Confident | 81.8 | Confident | 72 Ų | 72 | 85.1 Ų | 85.1 | 37% | 0.369 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.3 | -50.8 | 177.6 | -69 | 161.4 | 0 | 0 | 0 | 110.9 | F14 G15 F20 C21 L22 | F14-I18 HydrophobicContact CD1-CD1 3.38Å; F14-I18 HydrophobicContact CD1-CG1 4.13Å; F14-I18 HydrophobicContact CE1-CD1 3.3Å; F14-I18 HydrophobicContact CE1-CG1 3.96Å; F14-I18 HydrophobicContact CG-CD1 4.25Å; F14-I18 HydrophobicContact CZ-CD1 4.09Å; F14-I18 HydrophobicContact CZ-CG1 4.27Å; F14-I18 VanDerWaalsContact O-CG1 3.3Å; F14-I18 WeakPolarHBondContact O-CG1 3.13Å; F14-I18 PolarHBondContact O-N 2.9Å; G15-I18 PolarHBondContact O-N 3.38Å; I18-F20 PolarHBondContact O-N 3.05Å; I18-C21 PolarHBondContact O-N 3.26Å; I18-C21 VanDerWaalsContact O-N 3.15Å; I18-L22 HydrophobicContact CG2-CD1 3.86Å; I18-L22 HydrophobicContact CG2-CG 4.27Å; I18-L22 WeakPolarHBondContact O-CG 3.42Å; I18-L22 PolarHBondContact O-N 3.27Å |
| 19 | V | 89.1 | Confident | 83 | Confident | 102 Ų | 102 | 85 Ų | 85 | 62% | 0.618 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.1 | -40.7 | -179.7 | 174.9 | 0 | 0 | 0 | 0 | 110.3 | G15 L22 F23 | G15-V19 WeakPolarHBondContact O-CG2 3.07Å; G15-V19 PolarHBondContact O-N 3.44Å; G15-V19 VanDerWaalsContact O-N 3.1Å; V19-L22 PolarHBondContact O-N 3.41Å; V19-F23 PolarHBondContact O-N 2.93Å |
| 20 | F | 84.6 | Confident | 83.9 | Confident | 59 Ų | 59 | 84 Ų | 84 | 26% | 0.259 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.5 | -54.5 | 173.9 | -178.1 | -104.3 | 0 | 0 | 0 | 111.7 | A16 V17 I18 L22 F23 F24 Q66 L69 | A16-F20 WeakPolarHBondContact O-CB 3.45Å; A16-F20 PolarHBondContact O-N 3.43Å; V17-F20 WeakPolarHBondContact O-CB 3.35Å; V17-F20 PolarHBondContact O-N 3.27Å; I18-F20 PolarHBondContact O-N 3.05Å; F20-L22 VanDerWaalsContact C-N 3.31Å; F20-L22 PolarHBondContact O-N 3.01Å; F20-F23 WeakPolarHBondContact O-CB 3.43Å; F20-F23 PolarHBondContact O-N 3.45Å; F20-F24 HydrophobicContact CD1-CD2 4.47Å; F20-F24 HydrophobicContact CD1-CE2 4.37Å; F20-F24 HydrophobicContact CD2-CD2 4.4Å; F20-F24 AromaticContact CD2-CE2 3.81Å; F20-F24 HydrophobicContact CD2-CE2 3.81Å; F20-F24 HydrophobicContact CE1-CD2 4.18Å; F20-F24 AromaticContact CE1-CE2 3.84Å; F20-F24 HydrophobicContact CE1-CE2 3.84Å; F20-F24 HydrophobicContact CE2-CD2 4.09Å; F20-F24 AromaticContact CE2-CE2 3.17Å; F20-F24 HydrophobicContact CE2-CE2 3.17Å; F20-F24 AromaticContact CE2-CZ 3.86Å; F20-F24 HydrophobicContact CE2-CZ 3.86Å; F20-F24 HydrophobicContact CG-CE2 4.36Å; F20-F24 AromaticContact CZ-CD2 3.97Å; F20-F24 HydrophobicContact CZ-CD2 3.97Å; F20-F24 AromaticContact CZ-CE2 3.18Å; F20-F24 HydrophobicContact CZ-CE2 3.18Å; F20-F24 AromaticContact CZ-CZ 3.66Å; F20-F24 HydrophobicContact CZ-CZ 3.66Å; F20-F24 VanDerWaalsContact O-CD2 3.29Å; F20-F24 WeakPolarHBondContact O-CD2 3.3Å; F20-F24 PolarHBondContact O-N 3.11Å; F20-Q66 VanDerWaalsContact CZ-OE1 3.32Å; F20-L69 HydrophobicContact CD2-CD2 4.41Å; F20-L69 HydrophobicContact CE2-CD2 3.22Å; F20-L69 HydrophobicContact CE2-CG 3.76Å; F20-L69 HydrophobicContact CZ-CB 4.27Å; F20-L69 HydrophobicContact CZ-CD2 3.55Å; F20-L69 HydrophobicContact CZ-CG 3.83Å |
| 21 | C | 87.2 | Confident | 84.6 | Confident | 61 Ų | 61 | 79.8 Ų | 79.8 | 41% | 0.412 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -56.5 | -43.1 | 177.1 | -72.4 | 0 | 0 | 0 | 0 | 112.8 | V17 I18 F23 F24 V25 | V17-C21 PolarHBondContact O-N 3.5Å; V17-C21 PolarHBondContact O-SG 3.41Å; I18-C21 PolarHBondContact O-N 3.26Å; I18-C21 VanDerWaalsContact O-N 3.15Å; C21-F23 VanDerWaalsContact C-N 3.34Å; C21-F23 PolarHBondContact O-N 3.14Å; C21-F24 PolarHBondContact O-N 3.3Å; C21-V25 WeakPolarHBondContact O-CG2 3.34Å; C21-V25 PolarHBondContact O-N 2.94Å; C21-V25 VanDerWaalsContact O-N 3.08Å |
| 22 | L | 90 | Very high | 84.9 | Confident | 95 Ų | 95 | 80.4 Ų | 80.4 | 50% | 0.497 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 178.7 | -73.4 | 172.3 | 0 | 0 | 0 | 112.2 | I18 V19 F20 F24 V25 I26 | I18-L22 HydrophobicContact CG2-CD1 3.86Å; I18-L22 HydrophobicContact CG2-CG 4.27Å; I18-L22 WeakPolarHBondContact O-CG 3.42Å; I18-L22 PolarHBondContact O-N 3.27Å; V19-L22 PolarHBondContact O-N 3.41Å; F20-L22 VanDerWaalsContact C-N 3.31Å; F20-L22 PolarHBondContact O-N 3.01Å; L22-F24 VanDerWaalsContact C-N 3.34Å; L22-F24 PolarHBondContact O-N 3.38Å; L22-V25 PolarHBondContact O-N 3.35Å; L22-I26 VanDerWaalsContact O-CG1 3.27Å; L22-I26 WeakPolarHBondContact O-CG1 3.14Å; L22-I26 PolarHBondContact O-N 2.91Å |
| 23 | F | 88.1 | Confident | 85.3 | Confident | 124 Ų | 124 | 79.6 Ų | 79.6 | 54% | 0.544 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.5 | -45.2 | 177.1 | -178.7 | -98.4 | 0 | 0 | 0 | 111.9 | V19 F20 C21 V25 I26 I27 | V19-F23 PolarHBondContact O-N 2.93Å; F20-F23 WeakPolarHBondContact O-CB 3.43Å; F20-F23 PolarHBondContact O-N 3.45Å; C21-F23 VanDerWaalsContact C-N 3.34Å; C21-F23 PolarHBondContact O-N 3.14Å; F23-V25 PolarHBondContact O-N 3.36Å; F23-I26 PolarHBondContact O-N 3.26Å; F23-I27 HydrophobicContact CD1-CG1 4.42Å; F23-I27 HydrophobicContact CE1-CG1 4.06Å; F23-I27 HydrophobicContact CE2-CD1 4.49Å; F23-I27 HydrophobicContact CE2-CG1 4.31Å; F23-I27 HydrophobicContact CZ-CD1 4.32Å; F23-I27 HydrophobicContact CZ-CG1 4Å; F23-I27 VanDerWaalsContact O-CG1 3.31Å; F23-I27 WeakPolarHBondContact O-CG1 3.31Å; F23-I27 PolarHBondContact O-N 3.42Å; F23-I27 VanDerWaalsContact O-N 3.09Å |
| 24 | F | 82.7 | Confident | 85.4 | Confident | 43 Ų | 43 | 77.4 Ų | 77.4 | 19% | 0.189 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 178.1 | -78.7 | -95.6 | 0 | 0 | 0 | 112.3 | F20 C21 L22 F28 R65 L69 | F20-F24 HydrophobicContact CD1-CD2 4.47Å; F20-F24 HydrophobicContact CD1-CE2 4.37Å; F20-F24 HydrophobicContact CD2-CD2 4.4Å; F20-F24 AromaticContact CD2-CE2 3.81Å; F20-F24 HydrophobicContact CD2-CE2 3.81Å; F20-F24 HydrophobicContact CE1-CD2 4.18Å; F20-F24 AromaticContact CE1-CE2 3.84Å; F20-F24 HydrophobicContact CE1-CE2 3.84Å; F20-F24 HydrophobicContact CE2-CD2 4.09Å; F20-F24 AromaticContact CE2-CE2 3.17Å; F20-F24 HydrophobicContact CE2-CE2 3.17Å; F20-F24 AromaticContact CE2-CZ 3.86Å; F20-F24 HydrophobicContact CE2-CZ 3.86Å; F20-F24 HydrophobicContact CG-CE2 4.36Å; F20-F24 AromaticContact CZ-CD2 3.97Å; F20-F24 HydrophobicContact CZ-CD2 3.97Å; F20-F24 AromaticContact CZ-CE2 3.18Å; F20-F24 HydrophobicContact CZ-CE2 3.18Å; F20-F24 AromaticContact CZ-CZ 3.66Å; F20-F24 HydrophobicContact CZ-CZ 3.66Å; F20-F24 VanDerWaalsContact O-CD2 3.29Å; F20-F24 WeakPolarHBondContact O-CD2 3.3Å; F20-F24 PolarHBondContact O-N 3.11Å; C21-F24 PolarHBondContact O-N 3.3Å; L22-F24 VanDerWaalsContact C-N 3.34Å; L22-F24 PolarHBondContact O-N 3.38Å; F24-F28 WeakPolarHBondContact O-CB 3.2Å; F24-F28 PolarHBondContact O-N 3.04Å; F24-R65 HydrophobicContact CE1-CG 4.2Å; F24-R65 HydrophobicContact CZ-CG 4.23Å; F24-L69 HydrophobicContact CZ-CD2 4.41Å |
| 25 | V | 86.5 | Confident | 85.1 | Confident | 84 Ų | 84 | 73.2 Ų | 73.2 | 51% | 0.509 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.6 | -46.4 | 177.7 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | C21 L22 F23 I27 F28 V29 | C21-V25 WeakPolarHBondContact O-CG2 3.34Å; C21-V25 PolarHBondContact O-N 2.94Å; C21-V25 VanDerWaalsContact O-N 3.08Å; L22-V25 PolarHBondContact O-N 3.35Å; F23-V25 PolarHBondContact O-N 3.36Å; V25-I27 PolarHBondContact O-N 3.17Å; V25-F28 PolarHBondContact O-N 3.49Å; V25-V29 HydrophobicContact CG1-CG2 4.29Å; V25-V29 VanDerWaalsContact O-CG2 3.31Å; V25-V29 WeakPolarHBondContact O-CG2 3.33Å; V25-V29 PolarHBondContact O-N 3.43Å |
| 26 | I | 89.8 | Confident | 84.7 | Confident | 94 Ų | 94 | 76.5 Ų | 76.5 | 48% | 0.482 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.6 | -48.4 | 179.5 | -68.1 | 164.3 | 0 | 0 | 0 | 110.6 | L22 F23 F28 V29 I30 | L22-I26 VanDerWaalsContact O-CG1 3.27Å; L22-I26 WeakPolarHBondContact O-CG1 3.14Å; L22-I26 PolarHBondContact O-N 2.91Å; F23-I26 PolarHBondContact O-N 3.26Å; I26-F28 VanDerWaalsContact C-N 3.29Å; I26-F28 PolarHBondContact O-N 2.83Å; I26-V29 PolarHBondContact O-N 3.19Å; I26-I30 HydrophobicContact CG2-CD1 3.68Å; I26-I30 HydrophobicContact CG2-CG1 4.39Å; I26-I30 VanDerWaalsContact O-CG1 3.28Å; I26-I30 WeakPolarHBondContact O-CG1 3.25Å; I26-I30 PolarHBondContact O-N 3.28Å |
| 27 | I | 86.1 | Confident | 84.3 | Confident | 78 Ų | 78 | 83 Ų | 83 | 40% | 0.4 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.8 | -38.7 | 178.3 | -65.5 | -61.6 | 0 | 0 | 0 | 111.4 | F23 V25 S31 | F23-I27 HydrophobicContact CD1-CG1 4.42Å; F23-I27 HydrophobicContact CE1-CG1 4.06Å; F23-I27 HydrophobicContact CE2-CD1 4.49Å; F23-I27 HydrophobicContact CE2-CG1 4.31Å; F23-I27 HydrophobicContact CZ-CD1 4.32Å; F23-I27 HydrophobicContact CZ-CG1 4Å; F23-I27 VanDerWaalsContact O-CG1 3.31Å; F23-I27 WeakPolarHBondContact O-CG1 3.31Å; F23-I27 PolarHBondContact O-N 3.42Å; F23-I27 VanDerWaalsContact O-N 3.09Å; V25-I27 PolarHBondContact O-N 3.17Å; I27-S31 WeakPolarHBondContact O-CB 3.43Å; I27-S31 PolarHBondContact O-N 2.95Å |
| 28 | F | 83.6 | Confident | 83.6 | Confident | 98 Ų | 98 | 86.7 Ų | 86.7 | 43% | 0.43 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.7 | -47.6 | 176.1 | 178.2 | -120.4 | 0 | 0 | 0 | 112.1 | F24 V25 I26 I30 S31 V32 F58 | F24-F28 WeakPolarHBondContact O-CB 3.2Å; F24-F28 PolarHBondContact O-N 3.04Å; V25-F28 PolarHBondContact O-N 3.49Å; I26-F28 VanDerWaalsContact C-N 3.29Å; I26-F28 PolarHBondContact O-N 2.83Å; F28-I30 PolarHBondContact O-N 3.32Å; F28-S31 PolarHBondContact O-N 2.93Å; F28-V32 HydrophobicContact CD2-CG2 3.98Å; F28-V32 HydrophobicContact CE1-CG2 4.34Å; F28-V32 HydrophobicContact CE2-CG2 3.68Å; F28-V32 HydrophobicContact CZ-CG2 3.88Å; F28-V32 WeakPolarHBondContact O-CG2 3.48Å; F28-V32 PolarHBondContact O-N 2.89Å; F28-F58 HydrophobicContact CB-CE1 3.96Å; F28-F58 HydrophobicContact CB-CZ 3.96Å; F28-F58 AromaticContact CD2-CD1 3.53Å; F28-F58 HydrophobicContact CD2-CD1 3.53Å; F28-F58 AromaticContact CD2-CE1 3.1Å; F28-F58 HydrophobicContact CD2-CE1 3.1Å; F28-F58 HydrophobicContact CD2-CG 4.45Å; F28-F58 AromaticContact CD2-CZ 3.69Å; F28-F58 HydrophobicContact CD2-CZ 3.69Å; F28-F58 AromaticContact CE2-CD1 3.79Å; F28-F58 HydrophobicContact CE2-CD1 3.79Å; F28-F58 AromaticContact CE2-CE1 3.85Å; F28-F58 HydrophobicContact CE2-CE1 3.85Å; F28-F58 AromaticContact CG-CE1 3.91Å; F28-F58 HydrophobicContact CG-CE1 3.91Å; F28-F58 HydrophobicContact CG-CZ 4.31Å |
| 29 | V | 86.6 | Confident | 82.5 | Confident | 77 Ų | 77 | 86 Ų | 86 | 47% | 0.467 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.9 | -48.8 | 178.3 | 172.7 | 0 | 0 | 0 | 0 | 110.2 | V25 I26 S31 V32 T33 | V25-V29 HydrophobicContact CG1-CG2 4.29Å; V25-V29 VanDerWaalsContact O-CG2 3.31Å; V25-V29 WeakPolarHBondContact O-CG2 3.33Å; V25-V29 PolarHBondContact O-N 3.43Å; I26-V29 PolarHBondContact O-N 3.19Å; V29-S31 VanDerWaalsContact C-N 3.33Å; V29-S31 PolarHBondContact O-N 3.31Å; V29-V32 PolarHBondContact O-N 2.9Å; V29-T33 WeakPolarHBondContact O-CB 3.29Å; V29-T33 PolarHBondContact O-N 3.4Å; V29-T33 PolarHBondContact O-OG1 3.35Å |
| 30 | I | 87.6 | Confident | 81.3 | Confident | 87 Ų | 87 | 87 Ų | 87 | 45% | 0.446 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.6 | -47.4 | 177 | -66.5 | 168.4 | 0 | 0 | 0 | 110.4 | I26 F28 V32 T33 C34 | I26-I30 HydrophobicContact CG2-CD1 3.68Å; I26-I30 HydrophobicContact CG2-CG1 4.39Å; I26-I30 VanDerWaalsContact O-CG1 3.28Å; I26-I30 WeakPolarHBondContact O-CG1 3.25Å; I26-I30 PolarHBondContact O-N 3.28Å; F28-I30 PolarHBondContact O-N 3.32Å; I30-V32 VanDerWaalsContact C-N 3.33Å; I30-V32 PolarHBondContact O-N 3.34Å; I30-T33 PolarHBondContact O-N 3.31Å; I30-C34 WeakPolarHBondContact O-CB 3.32Å; I30-C34 PolarHBondContact O-N 3.15Å; I30-C34 PolarHBondContact O-SG 3.42Å |
| 31 | S | 82.7 | Confident | 80 | Confident | 27 Ų | 27 | 89.9 Ų | 89.9 | 19% | 0.189 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 179.5 | -173.1 | 0 | 0 | 0 | 0 | 112.1 | I27 F28 V29 V35 | I27-S31 WeakPolarHBondContact O-CB 3.43Å; I27-S31 PolarHBondContact O-N 2.95Å; F28-S31 PolarHBondContact O-N 2.93Å; V29-S31 VanDerWaalsContact C-N 3.33Å; V29-S31 PolarHBondContact O-N 3.31Å; S31-V35 WeakPolarHBondContact O-CB 3.23Å; S31-V35 WeakPolarHBondContact O-CG2 3.27Å; S31-V35 PolarHBondContact O-N 3.46Å |
| 32 | V | 78.7 | Confident | 78.5 | Confident | 71 Ų | 71 | 96 Ų | 96 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.9 | -43.3 | 179 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | F28 V29 I30 V35 L36 | F28-V32 HydrophobicContact CD2-CG2 3.98Å; F28-V32 HydrophobicContact CE1-CG2 4.34Å; F28-V32 HydrophobicContact CE2-CG2 3.68Å; F28-V32 HydrophobicContact CZ-CG2 3.88Å; F28-V32 WeakPolarHBondContact O-CG2 3.48Å; F28-V32 PolarHBondContact O-N 2.89Å; V29-V32 PolarHBondContact O-N 2.9Å; I30-V32 VanDerWaalsContact C-N 3.33Å; I30-V32 PolarHBondContact O-N 3.34Å; V32-V35 PolarHBondContact O-N 2.86Å; V32-L36 WeakPolarHBondContact O-CB 3.16Å; V32-L36 PolarHBondContact O-N 2.93Å |
| 33 | T | 84.9 | Confident | 76.9 | Confident | 79 Ų | 79 | 98.3 Ų | 98.3 | 49% | 0.485 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 177.6 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | V29 I30 L36 W37 | V29-T33 WeakPolarHBondContact O-CB 3.29Å; V29-T33 PolarHBondContact O-N 3.4Å; V29-T33 PolarHBondContact O-OG1 3.35Å; I30-T33 PolarHBondContact O-N 3.31Å; T33-L36 PolarHBondContact O-N 3.09Å; T33-W37 WeakPolarHBondContact O-CB 3.32Å; T33-W37 PolarHBondContact O-N 2.85Å |
| 34 | C | 81.2 | Confident | 75.4 | Confident | 59 Ų | 59 | 98.5 Ų | 98.5 | 40% | 0.399 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -50.4 | 175.4 | -69.7 | 0 | 0 | 0 | 0 | 111.5 | I30 L36 W37 F38 | I30-C34 WeakPolarHBondContact O-CB 3.32Å; I30-C34 PolarHBondContact O-N 3.15Å; I30-C34 PolarHBondContact O-SG 3.42Å; C34-L36 VanDerWaalsContact C-N 3.32Å; C34-L36 PolarHBondContact O-N 3.48Å; C34-W37 PolarHBondContact O-N 2.8Å; C34-F38 WeakPolarHBondContact O-CD2 3.27Å; C34-F38 PolarHBondContact O-N 3.49Å |
| 35 | V | 79.1 | Confident | 74.2 | Confident | 47 Ų | 47 | 105 Ų | 105 | 29% | 0.285 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 179.1 | 171.8 | 0 | 0 | 0 | 0 | 111 | S31 V32 W37 F38 C39 F54 | S31-V35 WeakPolarHBondContact O-CB 3.23Å; S31-V35 WeakPolarHBondContact O-CG2 3.27Å; S31-V35 PolarHBondContact O-N 3.46Å; V32-V35 PolarHBondContact O-N 2.86Å; V35-W37 VanDerWaalsContact C-N 3.34Å; V35-W37 PolarHBondContact O-N 3.38Å; V35-F38 PolarHBondContact O-N 3.44Å; V35-C39 WeakPolarHBondContact O-CB 3.11Å; V35-C39 PolarHBondContact O-N 3.49Å; V35-C39 PolarHBondContact O-SG 2.82Å; V35-C39 VanDerWaalsContact O-SG 3.34Å; V35-F54 HydrophobicContact CG2-CD1 4.09Å; V35-F54 HydrophobicContact CG2-CE1 3.6Å; V35-F54 HydrophobicContact CG2-CZ 3.97Å |
| 36 | L | 75.1 | Confident | 72.8 | Confident | 103 Ų | 103 | 103.5 Ų | 103.5 | 54% | 0.539 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 177.9 | -173.4 | 62.2 | 0 | 0 | 0 | 111.5 | V32 T33 C34 I40 | V32-L36 WeakPolarHBondContact O-CB 3.16Å; V32-L36 PolarHBondContact O-N 2.93Å; T33-L36 PolarHBondContact O-N 3.09Å; C34-L36 VanDerWaalsContact C-N 3.32Å; C34-L36 PolarHBondContact O-N 3.48Å; L36-I40 HydrophobicContact CD1-CD1 3.96Å; L36-I40 HydrophobicContact CD1-CG1 4.34Å; L36-I40 HydrophobicContact CG-CD1 3.88Å; L36-I40 WeakPolarHBondContact O-CB 3.29Å; L36-I40 WeakPolarHBondContact O-CD1 3.31Å; L36-I40 WeakPolarHBondContact O-CG1 3.23Å; L36-I40 PolarHBondContact O-N 3.25Å; L36-I40 VanDerWaalsContact O-N 3.11Å |
| 37 | W | 76.3 | Confident | 71.2 | Confident | 202 Ų | 202 | 103.8 Ų | 103.8 | 77% | 0.765 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.4 | -46.5 | 177.1 | -166.3 | -83.2 | 0 | 0 | 0 | 112 | T33 C34 V35 I40 | T33-W37 WeakPolarHBondContact O-CB 3.32Å; T33-W37 PolarHBondContact O-N 2.85Å; C34-W37 PolarHBondContact O-N 2.8Å; V35-W37 VanDerWaalsContact C-N 3.34Å; V35-W37 PolarHBondContact O-N 3.38Å; W37-I40 PolarHBondContact O-N 3.42Å |
| 38 | F | 68.5 | Low | 69.8 | Low | 159 Ų | 159 | 104.8 Ų | 104.8 | 70% | 0.697 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -69.6 | -35.5 | 177.4 | -75.8 | -69 | 0 | 0 | 0 | 112.8 | C34 V35 I40 | C34-F38 WeakPolarHBondContact O-CD2 3.27Å; C34-F38 PolarHBondContact O-N 3.49Å; V35-F38 PolarHBondContact O-N 3.44Å; F38-I40 VanDerWaalsContact C-N 3.33Å; F38-I40 PolarHBondContact O-N 2.92Å |
| 39 | C | 64.5 | Low | 68.6 | Low | 58 Ų | 58 | 105.8 Ų | 105.8 | 39% | 0.392 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -76.4 | -13.9 | 178.5 | -76.8 | 0 | 0 | 0 | 0 | 114.5 | V35 D41 | V35-C39 WeakPolarHBondContact O-CB 3.11Å; V35-C39 PolarHBondContact O-N 3.49Å; V35-C39 PolarHBondContact O-SG 2.82Å; V35-C39 VanDerWaalsContact O-SG 3.34Å; C39-D41 VanDerWaalsContact C-N 3.32Å |
| 40 | I | 63.4 | Low | 67.5 | Low | 122 Ų | 122 | 106.4 Ų | 106.4 | 63% | 0.626 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -12.6 | 177.2 | -80.9 | 171.2 | 0 | 0 | 0 | 111.7 | L36 W37 F38 K42 | L36-I40 HydrophobicContact CD1-CD1 3.96Å; L36-I40 HydrophobicContact CD1-CG1 4.34Å; L36-I40 HydrophobicContact CG-CD1 3.88Å; L36-I40 WeakPolarHBondContact O-CB 3.29Å; L36-I40 WeakPolarHBondContact O-CD1 3.31Å; L36-I40 WeakPolarHBondContact O-CG1 3.23Å; L36-I40 PolarHBondContact O-N 3.25Å; L36-I40 VanDerWaalsContact O-N 3.11Å; W37-I40 PolarHBondContact O-N 3.42Å; F38-I40 VanDerWaalsContact C-N 3.33Å; F38-I40 PolarHBondContact O-N 2.92Å; I40-K42 PolarHBondContact O-N 2.95Å |
| 41 | D | 57.2 | Low | 66.4 | Low | 119 Ų | 119 | 107.3 Ų | 107.3 | 64% | 0.636 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -75.4 | 90.8 | 177.8 | -154.1 | 61 | 0 | 0 | 0 | 112.1 | C39 N43 | C39-D41 VanDerWaalsContact C-N 3.32Å; D41-N43 VanDerWaalsContact C-N 3.34Å; D41-N43 PolarHBondContact O-N 3.08Å |
| 42 | K | 56 | Low | 65.7 | Low | 189 Ų | 189 | 109.4 Ų | 109.4 | 82% | 0.822 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 38.1 | -12.7 | 149.2 | -81.7 | 178.2 | 163.4 | 162.8 | 0 | 124.8 | I40 | I40-K42 PolarHBondContact O-N 2.95Š|
| 43 | N | 56.1 | Low | 65.2 | Low | 144 Ų | 144 | 113.2 Ų | 113.2 | 77% | 0.77 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.4 | -2.6 | -171.1 | -85.1 | -21.2 | 0 | 0 | 0 | 118.9 | D41 E45 | D41-N43 VanDerWaalsContact C-N 3.34Å; D41-N43 PolarHBondContact O-N 3.08Å; N43-E45 PolarHBondContact O-N 3.44Å |
| 44 | D | 56.9 | Low | 64.4 | Low | 129 Ų | 129 | 114.1 Ų | 114.1 | 69% | 0.69 | 58% | 0.576 | S | S | * | * | trans | -101.5 | 102 | -167.9 | -64.9 | -38.7 | 0 | 0 | 0 | 114.8 | A46 | D44-A46 HydrophobicContact CB-CB 4.37Å; D44-A46 PolarHBondContact O-N 2.79Å | ||
| 45 | E | 57.5 | Low | 63.9 | Low | 180 Ų | 180 | 116.5 Ų | 116.5 | 84% | 0.841 | 58% | 0.583 | S | S | * | * | trans | -68.3 | 23.8 | 161.7 | -57.6 | -164.4 | 146.1 | 0 | 0 | 113.3 | N43 T47 | N43-E45 PolarHBondContact O-N 3.44Å; E45-T47 PolarHBondContact O-N 3.42Å; E45-T47 PolarHBondContact O-OG1 2.68Å; E45-T47 VanDerWaalsContact O-OG1 3.1Å | ||
| 46 | A | 57.2 | Low | 63.5 | Low | 52 Ų | 52 | 118.8 Ų | 118.8 | 43% | 0.43 | 59% | 0.593 | S | S | . | * | trans | -73.8 | 71.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | D44 V48 | D44-A46 HydrophobicContact CB-CB 4.37Å; D44-A46 PolarHBondContact O-N 2.79Å; A46-V48 PolarHBondContact O-N 2.76Å | ||
| 47 | T | 55.2 | Low | 63.3 | Low | 99 Ų | 99 | 118.5 Ų | 118.5 | 61% | 0.607 | 59% | 0.592 | S | S | * | * | trans | -80.9 | 113.7 | -159.2 | 33.9 | 0 | 0 | 0 | 0 | 112 | E45 I49 | E45-T47 PolarHBondContact O-N 3.42Å; E45-T47 PolarHBondContact O-OG1 2.68Å; E45-T47 VanDerWaalsContact O-OG1 3.1Å; T47-I49 PolarHBondContact O-N 3.12Å | ||
| 48 | V | 58.6 | Low | 63 | Low | 99 Ų | 99 | 111.1 Ų | 111.1 | 60% | 0.6 | 57% | 0.565 | S | S | * | * | S | Bend | trans | 64.4 | -44.9 | 161.3 | -166 | 0 | 0 | 0 | 0 | 116.6 | A46 K51 V52 | A46-V48 PolarHBondContact O-N 2.76Å; V48-K51 PolarHBondContact O-N 2.72Å; V48-V52 HydrophobicContact CG1-CG2 4.3Å; V48-V52 VanDerWaalsContact O-CG2 3.28Å; V48-V52 WeakPolarHBondContact O-CG2 3.35Å; V48-V52 PolarHBondContact O-N 2.71Å |
| 49 | I | 57.6 | Low | 63.1 | Low | 119 Ų | 119 | 109.5 Ų | 109.5 | 61% | 0.61 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.2 | -43.2 | -175.9 | -60.1 | 176.4 | 0 | 0 | 0 | 110.7 | T47 K51 V52 R53 | T47-I49 PolarHBondContact O-N 3.12Å; I49-K51 PolarHBondContact O-N 2.97Å; I49-V52 PolarHBondContact O-N 3.23Å; I49-R53 HydrophobicContact CG2-CG 4.16Å; I49-R53 VanDerWaalsContact O-CB 3.32Å; I49-R53 WeakPolarHBondContact O-CB 3.14Å; I49-R53 VanDerWaalsContact O-CG 3.25Å; I49-R53 WeakPolarHBondContact O-CG 3.18Å; I49-R53 PolarHBondContact O-N 2.78Å |
| 50 | D | 64.1 | Low | 63.3 | Low | 91 Ų | 91 | 112.7 Ų | 112.7 | 49% | 0.487 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.2 | -34.7 | 178.8 | -71.2 | -55.3 | 0 | 0 | 0 | 112.4 | R53 F54 | D50-R53 PolarHBondContact O-N 3.35Å; D50-F54 VanDerWaalsContact O-CB 3.24Å; D50-F54 WeakPolarHBondContact O-CB 3.37Å; D50-F54 PolarHBondContact O-N 3.22Å |
| 51 | K | 64.4 | Low | 63.4 | Low | 106 Ų | 106 | 111 Ų | 111 | 46% | 0.461 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.4 | -45.6 | 172.5 | -69.5 | 176.5 | 180 | 170.3 | 0 | 111.1 | V48 I49 F54 I55 | V48-K51 PolarHBondContact O-N 2.72Å; I49-K51 PolarHBondContact O-N 2.97Å; K51-F54 PolarHBondContact O-N 3.04Å; K51-I55 WeakPolarHBondContact O-CD1 3.32Å; K51-I55 VanDerWaalsContact O-CG1 3.24Å; K51-I55 WeakPolarHBondContact O-CG1 3.4Å; K51-I55 PolarHBondContact O-N 3.39Å |
| 52 | V | 67.2 | Low | 63.8 | Low | 71 Ų | 71 | 106.6 Ų | 106.6 | 43% | 0.43 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69 | -40.4 | 178.2 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | V48 I49 I55 L56 | V48-V52 HydrophobicContact CG1-CG2 4.3Å; V48-V52 VanDerWaalsContact O-CG2 3.28Å; V48-V52 WeakPolarHBondContact O-CG2 3.35Å; V48-V52 PolarHBondContact O-N 2.71Å; I49-V52 PolarHBondContact O-N 3.23Å; V52-I55 PolarHBondContact O-N 2.87Å; V52-L56 HydrophobicContact CG1-CD1 3.75Å; V52-L56 HydrophobicContact CG1-CG 4.34Å; V52-L56 VanDerWaalsContact O-CB 3.29Å; V52-L56 WeakPolarHBondContact O-CB 3.24Å; V52-L56 VanDerWaalsContact O-CG 3.31Å; V52-L56 WeakPolarHBondContact O-CG 3.24Å; V52-L56 PolarHBondContact O-N 3.31Å |
| 53 | R | 69.4 | Low | 64.3 | Low | 150 Ų | 150 | 104 Ų | 104 | 57% | 0.566 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.2 | -40.7 | 174.7 | -74.7 | -176.2 | 83.8 | -156 | 6.8 | 111.2 | I49 D50 L56 L57 | I49-R53 HydrophobicContact CG2-CG 4.16Å; I49-R53 VanDerWaalsContact O-CB 3.32Å; I49-R53 WeakPolarHBondContact O-CB 3.14Å; I49-R53 VanDerWaalsContact O-CG 3.25Å; I49-R53 WeakPolarHBondContact O-CG 3.18Å; I49-R53 PolarHBondContact O-N 2.78Å; D50-R53 PolarHBondContact O-N 3.35Å; R53-L56 PolarHBondContact O-N 3.39Å; R53-L57 WeakPolarHBondContact O-CB 3.28Å; R53-L57 WeakPolarHBondContact O-CG 3.41Å; R53-L57 PolarHBondContact O-N 2.92Å |
| 54 | F | 67.5 | Low | 64.3 | Low | 99 Ų | 99 | 103.4 Ų | 103.4 | 43% | 0.434 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.7 | -42.9 | 177.7 | -165.6 | -91.2 | 0 | 0 | 0 | 111.5 | V35 D50 K51 L57 F58 | V35-F54 HydrophobicContact CG2-CD1 4.09Å; V35-F54 HydrophobicContact CG2-CE1 3.6Å; V35-F54 HydrophobicContact CG2-CZ 3.97Å; D50-F54 VanDerWaalsContact O-CB 3.24Å; D50-F54 WeakPolarHBondContact O-CB 3.37Å; D50-F54 PolarHBondContact O-N 3.22Å; K51-F54 PolarHBondContact O-N 3.04Å; F54-L57 PolarHBondContact O-N 3.25Å; F54-F58 WeakPolarHBondContact O-CB 3.32Å; F54-F58 PolarHBondContact O-N 2.84Å |
| 55 | I | 70 | Confident | 64.6 | Low | 108 Ų | 108 | 105.2 Ų | 105.2 | 55% | 0.554 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.1 | -44.8 | 174.6 | -67.8 | 163.5 | 0 | 0 | 0 | 110.8 | K51 V52 F58 F59 | K51-I55 WeakPolarHBondContact O-CD1 3.32Å; K51-I55 VanDerWaalsContact O-CG1 3.24Å; K51-I55 WeakPolarHBondContact O-CG1 3.4Å; K51-I55 PolarHBondContact O-N 3.39Å; V52-I55 PolarHBondContact O-N 2.87Å; I55-F58 PolarHBondContact O-N 3.29Å; I55-F59 WeakPolarHBondContact O-CB 3.22Å; I55-F59 PolarHBondContact O-N 3.38Å |
| 56 | L | 70.9 | Confident | 64.7 | Low | 96 Ų | 96 | 99.9 Ų | 99.9 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.6 | -41.1 | 177.9 | -78.1 | 169.1 | 0 | 0 | 0 | 112.1 | V52 R53 F59 M60 | V52-L56 HydrophobicContact CG1-CD1 3.75Å; V52-L56 HydrophobicContact CG1-CG 4.34Å; V52-L56 VanDerWaalsContact O-CB 3.29Å; V52-L56 WeakPolarHBondContact O-CB 3.24Å; V52-L56 VanDerWaalsContact O-CG 3.31Å; V52-L56 WeakPolarHBondContact O-CG 3.24Å; V52-L56 PolarHBondContact O-N 3.31Å; R53-L56 PolarHBondContact O-N 3.39Å; L56-F59 CarbonylContact O-C 3.58Å; L56-F59 PolarHBondContact O-N 3.22Å; L56-M60 VanDerWaalsContact O-CB 3.24Å; L56-M60 WeakPolarHBondContact O-CB 3.45Å; L56-M60 VanDerWaalsContact O-CG 3.24Å; L56-M60 WeakPolarHBondContact O-CG 3.31Å; L56-M60 PolarHBondContact O-N 3Å |
| 57 | L | 70.2 | Confident | 64.8 | Low | 97 Ų | 97 | 99.8 Ų | 99.8 | 51% | 0.508 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.3 | -39.6 | 176.3 | -74.6 | 170.5 | 0 | 0 | 0 | 110.9 | R53 F54 M60 T61 | R53-L57 WeakPolarHBondContact O-CB 3.28Å; R53-L57 WeakPolarHBondContact O-CG 3.41Å; R53-L57 PolarHBondContact O-N 2.92Å; F54-L57 PolarHBondContact O-N 3.25Å; L57-M60 PolarHBondContact O-N 2.92Å; L57-T61 VanDerWaalsContact O-CB 3.27Å; L57-T61 WeakPolarHBondContact O-CB 3.35Å; L57-T61 VanDerWaalsContact O-CG2 3.25Å; L57-T61 WeakPolarHBondContact O-CG2 3.19Å; L57-T61 PolarHBondContact O-N 3.49Å; L57-T61 PolarHBondContact O-OG1 3Å |
| 58 | F | 71.1 | Confident | 65.2 | Low | 46 Ų | 46 | 102.1 Ų | 102.1 | 20% | 0.202 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 172.8 | -171 | -82.3 | 0 | 0 | 0 | 110.7 | F28 F54 I55 T61 S62 | F28-F58 HydrophobicContact CB-CE1 3.96Å; F28-F58 HydrophobicContact CB-CZ 3.96Å; F28-F58 AromaticContact CD2-CD1 3.53Å; F28-F58 HydrophobicContact CD2-CD1 3.53Å; F28-F58 AromaticContact CD2-CE1 3.1Å; F28-F58 HydrophobicContact CD2-CE1 3.1Å; F28-F58 HydrophobicContact CD2-CG 4.45Å; F28-F58 AromaticContact CD2-CZ 3.69Å; F28-F58 HydrophobicContact CD2-CZ 3.69Å; F28-F58 AromaticContact CE2-CD1 3.79Å; F28-F58 HydrophobicContact CE2-CD1 3.79Å; F28-F58 AromaticContact CE2-CE1 3.85Å; F28-F58 HydrophobicContact CE2-CE1 3.85Å; F28-F58 AromaticContact CG-CE1 3.91Å; F28-F58 HydrophobicContact CG-CE1 3.91Å; F28-F58 HydrophobicContact CG-CZ 4.31Å; F54-F58 WeakPolarHBondContact O-CB 3.32Å; F54-F58 PolarHBondContact O-N 2.84Å; I55-F58 PolarHBondContact O-N 3.29Å; F58-T61 WeakPolarHBondContact CA-OG1 3.24Å; F58-T61 PolarHBondContact O-OG1 3.42Å; F58-T61 VanDerWaalsContact O-OG1 3.12Å; F58-S62 VanDerWaalsContact O-CB 3.22Å; F58-S62 WeakPolarHBondContact O-CB 3.47Å; F58-S62 PolarHBondContact O-N 3.44Å; F58-S62 PolarHBondContact O-OG 2.88Å |
| 59 | F | 71 | Confident | 65.4 | Low | 125 Ų | 125 | 100.8 Ų | 100.8 | 55% | 0.548 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.4 | -38.8 | 176.2 | -168.4 | -101.6 | 0 | 0 | 0 | 112.3 | I55 L56 S62 K63 | I55-F59 WeakPolarHBondContact O-CB 3.22Å; I55-F59 PolarHBondContact O-N 3.38Å; L56-F59 CarbonylContact O-C 3.58Å; L56-F59 PolarHBondContact O-N 3.22Å; F59-S62 WeakPolarHBondContact CA-OG 3.21Å; F59-S62 PolarHBondContact O-OG 2.83Å; F59-K63 HydrophobicContact CD1-CG 4.45Å; F59-K63 HydrophobicContact CE1-CG 4.12Å; F59-K63 HydrophobicContact CZ-CG 4.45Å; F59-K63 VanDerWaalsContact O-CB 3.23Å; F59-K63 WeakPolarHBondContact O-CB 3.2Å; F59-K63 PolarHBondContact O-N 2.75Å |
| 60 | M | 67.1 | Low | 65.6 | Low | 126 Ų | 126 | 98.8 Ų | 98.8 | 62% | 0.621 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -71.6 | -42.5 | 176 | -77.2 | -163.2 | 129.2 | 0 | 0 | 111.9 | L56 L57 K63 M64 | L56-M60 VanDerWaalsContact O-CB 3.24Å; L56-M60 WeakPolarHBondContact O-CB 3.45Å; L56-M60 VanDerWaalsContact O-CG 3.24Å; L56-M60 WeakPolarHBondContact O-CG 3.31Å; L56-M60 PolarHBondContact O-N 3Å; L57-M60 PolarHBondContact O-N 2.92Å; M60-K63 PolarHBondContact O-N 3.41Å; M60-M64 VanDerWaalsContact O-CB 3.29Å; M60-M64 WeakPolarHBondContact O-CB 3.25Å; M60-M64 WeakPolarHBondContact O-CG 3.32Å; M60-M64 PolarHBondContact O-N 2.83Å |
| 61 | T | 66.6 | Low | 65.5 | Low | 85 Ų | 85 | 99.7 Ų | 99.7 | 52% | 0.521 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.6 | -37.5 | 176.9 | 50.6 | 0 | 0 | 0 | 0 | 111.7 | L57 F58 R65 | L57-T61 VanDerWaalsContact O-CB 3.27Å; L57-T61 WeakPolarHBondContact O-CB 3.35Å; L57-T61 VanDerWaalsContact O-CG2 3.25Å; L57-T61 WeakPolarHBondContact O-CG2 3.19Å; L57-T61 PolarHBondContact O-N 3.49Å; L57-T61 PolarHBondContact O-OG1 3Å; F58-T61 WeakPolarHBondContact CA-OG1 3.24Å; F58-T61 PolarHBondContact O-OG1 3.42Å; F58-T61 VanDerWaalsContact O-OG1 3.12Å; T61-R65 VanDerWaalsContact O-CB 3.23Å; T61-R65 WeakPolarHBondContact O-CB 3.31Å; T61-R65 PolarHBondContact O-N 3.43Å |
| 62 | S | 64.1 | Low | 65.4 | Low | 28 Ų | 28 | 100 Ų | 100 | 20% | 0.196 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -67.7 | -42.3 | 171.4 | 59.1 | 0 | 0 | 0 | 0 | 111.8 | F58 F59 M64 R65 Q66 | F58-S62 VanDerWaalsContact O-CB 3.22Å; F58-S62 WeakPolarHBondContact O-CB 3.47Å; F58-S62 PolarHBondContact O-N 3.44Å; F58-S62 PolarHBondContact O-OG 2.88Å; F59-S62 WeakPolarHBondContact CA-OG 3.21Å; F59-S62 PolarHBondContact O-OG 2.83Å; S62-M64 PolarHBondContact O-N 3.43Å; S62-R65 PolarHBondContact O-N 3.44Å; S62-Q66 VanDerWaalsContact O-CB 3.32Å; S62-Q66 WeakPolarHBondContact O-CB 3.29Å; S62-Q66 WeakPolarHBondContact O-CG 3.18Å; S62-Q66 PolarHBondContact O-N 2.82Å |
| 63 | K | 66.8 | Low | 65 | Low | 135 Ų | 135 | 100.3 Ų | 100.3 | 59% | 0.587 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.4 | -45 | 171.8 | -97 | -100 | -177.8 | 165.7 | 0 | 112.9 | F59 M60 R65 Q66 S67 | F59-K63 HydrophobicContact CD1-CG 4.45Å; F59-K63 HydrophobicContact CE1-CG 4.12Å; F59-K63 HydrophobicContact CZ-CG 4.45Å; F59-K63 VanDerWaalsContact O-CB 3.23Å; F59-K63 WeakPolarHBondContact O-CB 3.2Å; F59-K63 PolarHBondContact O-N 2.75Å; M60-K63 PolarHBondContact O-N 3.41Å; K63-R65 VanDerWaalsContact C-N 3.34Å; K63-Q66 PolarHBondContact O-N 2.83Å; K63-S67 PolarHBondContact O-N 3.39Å; K63-S67 PolarHBondContact O-OG 2.91Å |
| 64 | M | 57.3 | Low | 64.4 | Low | 130 Ų | 130 | 103.9 Ų | 103.9 | 64% | 0.64 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.7 | -32.5 | 179.8 | -70.7 | -73.5 | -79.6 | 0 | 0 | 111.9 | M60 S62 S67 K68 | M60-M64 VanDerWaalsContact O-CB 3.29Å; M60-M64 WeakPolarHBondContact O-CB 3.25Å; M60-M64 WeakPolarHBondContact O-CG 3.32Å; M60-M64 PolarHBondContact O-N 2.83Å; S62-M64 PolarHBondContact O-N 3.43Å; M64-S67 PolarHBondContact O-OG 3.43Å; M64-S67 VanDerWaalsContact O-OG 3.11Å; M64-K68 PolarHBondContact O-N 2.96Å |
| 65 | R | 62.5 | Low | 64.3 | Low | 167 Ų | 167 | 107.7 Ų | 107.7 | 63% | 0.63 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -74.9 | -39.6 | 173.8 | -171.3 | 168.9 | -71.6 | -167.1 | -1.9 | 111.5 | F24 T61 S62 K63 L69 | F24-R65 HydrophobicContact CE1-CG 4.2Å; F24-R65 HydrophobicContact CZ-CG 4.23Å; T61-R65 VanDerWaalsContact O-CB 3.23Å; T61-R65 WeakPolarHBondContact O-CB 3.31Å; T61-R65 PolarHBondContact O-N 3.43Å; S62-R65 PolarHBondContact O-N 3.44Å; K63-R65 VanDerWaalsContact C-N 3.34Å; R65-L69 WeakPolarHBondContact O-CB 3.21Å; R65-L69 PolarHBondContact O-N 3.39Å |
| 66 | Q | 60.5 | Low | 63.8 | Low | 68 Ų | 68 | 109.7 Ų | 109.7 | 32% | 0.318 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 173.4 | -74.3 | -75.2 | 50.7 | 0 | 0 | 111 | F20 S62 K63 L69 T70 | F20-Q66 VanDerWaalsContact CZ-OE1 3.32Å; S62-Q66 VanDerWaalsContact O-CB 3.32Å; S62-Q66 WeakPolarHBondContact O-CB 3.29Å; S62-Q66 WeakPolarHBondContact O-CG 3.18Å; S62-Q66 PolarHBondContact O-N 2.82Å; K63-Q66 PolarHBondContact O-N 2.83Å; Q66-L69 PolarHBondContact O-N 3.48Å; Q66-T70 WeakPolarHBondContact O-CB 3.35Å; Q66-T70 VanDerWaalsContact O-CG2 3.31Å; Q66-T70 WeakPolarHBondContact O-CG2 3.15Å; Q66-T70 PolarHBondContact O-N 3.47Å; Q66-T70 PolarHBondContact O-OG1 3.34Å |
| 67 | S | 59 | Low | 63.2 | Low | 50 Ų | 50 | 111.7 Ų | 111.7 | 35% | 0.35 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.5 | -43.6 | -179 | 65.7 | 0 | 0 | 0 | 0 | 112.8 | K63 M64 L69 T70 I71 | K63-S67 PolarHBondContact O-N 3.39Å; K63-S67 PolarHBondContact O-OG 2.91Å; M64-S67 PolarHBondContact O-OG 3.43Å; M64-S67 VanDerWaalsContact O-OG 3.11Å; S67-L69 VanDerWaalsContact C-N 3.34Å; S67-L69 PolarHBondContact O-N 2.96Å; S67-T70 PolarHBondContact O-OG1 3.23Å; S67-I71 WeakPolarHBondContact O-CB 3.43Å; S67-I71 WeakPolarHBondContact O-CD1 3.28Å; S67-I71 WeakPolarHBondContact O-CG1 3.24Å; S67-I71 PolarHBondContact O-N 3.32Å |
| 68 | K | 62.9 | Low | 62.8 | Low | 149 Ų | 149 | 112.4 Ų | 112.4 | 65% | 0.648 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.4 | -40.7 | 174.7 | -85 | -166.6 | 176.8 | -173.8 | 0 | 111.9 | M64 I71 H72 | M64-K68 PolarHBondContact O-N 2.96Å; K68-I71 PolarHBondContact O-N 3.49Å; K68-H72 PolarHBondContact O-CD2 3.5Å; K68-H72 VanDerWaalsContact O-CD2 3.25Å; K68-H72 PolarHBondContact O-N 2.76Å |
| 69 | L | 62.2 | Low | 62.4 | Low | 70 Ų | 70 | 115.9 Ų | 115.9 | 37% | 0.366 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -78 | -34.4 | -173.8 | -163.7 | 43.1 | 0 | 0 | 0 | 112.6 | F20 F24 R65 Q66 S67 I71 H72 C73 | F20-L69 HydrophobicContact CD2-CD2 4.41Å; F20-L69 HydrophobicContact CE2-CD2 3.22Å; F20-L69 HydrophobicContact CE2-CG 3.76Å; F20-L69 HydrophobicContact CZ-CB 4.27Å; F20-L69 HydrophobicContact CZ-CD2 3.55Å; F20-L69 HydrophobicContact CZ-CG 3.83Å; F24-L69 HydrophobicContact CZ-CD2 4.41Å; R65-L69 WeakPolarHBondContact O-CB 3.21Å; R65-L69 PolarHBondContact O-N 3.39Å; Q66-L69 PolarHBondContact O-N 3.48Å; S67-L69 VanDerWaalsContact C-N 3.34Å; S67-L69 PolarHBondContact O-N 2.96Å; L69-I71 VanDerWaalsContact C-N 3.34Å; L69-H72 PolarHBondContact O-N 3.47Å; L69-C73 WeakPolarHBondContact O-CB 3.22Å; L69-C73 PolarHBondContact O-N 3.11Å |
| 70 | T | 61.6 | Low | 61.9 | Low | 78 Ų | 78 | 115.4 Ų | 115.4 | 48% | 0.479 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.5 | -39.2 | 169.4 | 54.5 | 0 | 0 | 0 | 0 | 111.4 | Q66 S67 C73 W74 | Q66-T70 WeakPolarHBondContact O-CB 3.35Å; Q66-T70 VanDerWaalsContact O-CG2 3.31Å; Q66-T70 WeakPolarHBondContact O-CG2 3.15Å; Q66-T70 PolarHBondContact O-N 3.47Å; Q66-T70 PolarHBondContact O-OG1 3.34Å; S67-T70 PolarHBondContact O-OG1 3.23Å; T70-C73 PolarHBondContact O-N 2.98Å; T70-W74 WeakPolarHBondContact O-CB 3.4Å; T70-W74 PolarHBondContact O-N 3.1Å |
| 71 | I | 62.4 | Low | 61.6 | Low | 110 Ų | 110 | 114.8 Ų | 114.8 | 56% | 0.564 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.8 | -41.7 | 174.7 | -65.6 | 162.7 | 0 | 0 | 0 | 111.6 | S67 K68 L69 K75 | S67-I71 WeakPolarHBondContact O-CB 3.43Å; S67-I71 WeakPolarHBondContact O-CD1 3.28Å; S67-I71 WeakPolarHBondContact O-CG1 3.24Å; S67-I71 PolarHBondContact O-N 3.32Å; K68-I71 PolarHBondContact O-N 3.49Å; L69-I71 VanDerWaalsContact C-N 3.34Å; I71-K75 WeakPolarHBondContact O-CB 3.47Å; I71-K75 PolarHBondContact O-N 2.82Å |
| 72 | H | 62.2 | Low | 61.3 | Low | 113 Ų | 113 | 116.6 Ų | 116.6 | 52% | 0.523 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.3 | -39.3 | 176.6 | -89.9 | -87.6 | 0 | 0 | 0 | 112.4 | K68 L69 K75 L76 | K68-H72 PolarHBondContact O-CD2 3.5Å; K68-H72 VanDerWaalsContact O-CD2 3.25Å; K68-H72 PolarHBondContact O-N 2.76Å; L69-H72 PolarHBondContact O-N 3.47Å; H72-K75 PolarHBondContact O-N 3.45Å; H72-L76 PolarHBondContact O-N 2.77Å |
| 73 | C | 58.7 | Low | 61.1 | Low | 77 Ų | 77 | 122.5 Ų | 122.5 | 52% | 0.52 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.9 | -39.5 | 178.2 | -150.7 | 0 | 0 | 0 | 0 | 111.2 | L69 T70 K75 L76 I77 | L69-C73 WeakPolarHBondContact O-CB 3.22Å; L69-C73 PolarHBondContact O-N 3.11Å; T70-C73 PolarHBondContact O-N 2.98Å; C73-K75 PolarHBondContact O-N 2.7Å; C73-L76 PolarHBondContact O-N 2.92Å; C73-I77 PolarHBondContact O-N 3.47Å |
| 74 | W | 57.1 | Low | 60.7 | Low | 224 Ų | 224 | 121.6 Ų | 121.6 | 85% | 0.848 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68 | -16.3 | 171.7 | -106.3 | 26.7 | 0 | 0 | 0 | 114.7 | T70 | T70-W74 WeakPolarHBondContact O-CB 3.4Å; T70-W74 PolarHBondContact O-N 3.1Å |
| 75 | K | 65.8 | Low | 60.9 | Low | 180 Ų | 180 | 121 Ų | 121 | 78% | 0.783 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -11.4 | 177.3 | -160.1 | 166.3 | -175.8 | -178.9 | 0 | 113 | I71 H72 C73 | I71-K75 WeakPolarHBondContact O-CB 3.47Å; I71-K75 PolarHBondContact O-N 2.82Å; H72-K75 PolarHBondContact O-N 3.45Å; C73-K75 PolarHBondContact O-N 2.7Å |
| 76 | L | 59.7 | Low | 60.8 | Low | 149 Ų | 149 | 117.2 Ų | 117.2 | 78% | 0.78 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | -14.6 | 179.7 | -98.6 | 123.8 | 0 | 0 | 0 | 113.5 | H72 C73 | H72-L76 PolarHBondContact O-N 2.77Å; C73-L76 PolarHBondContact O-N 2.92Å |
| 77 | I | 57.6 | Low | 60.8 | Low | 138 Ų | 138 | 121.6 Ų | 121.6 | 71% | 0.708 | 60% | 0.597 | S | S | * | * | trans | -86 | 0 | 166 | -112.3 | 68.5 | 0 | 0 | 0 | 109.2 | Y13 C73 | Y13-I77 HydrophobicContact CD1-CD1 3.71Å; Y13-I77 HydrophobicContact CD1-CG1 3.97Å; Y13-I77 HydrophobicContact CE1-CD1 3.29Å; Y13-I77 HydrophobicContact CE1-CG1 3.44Å; Y13-I77 VanDerWaalsContact CE1-CG1 3.44Å; C73-I77 PolarHBondContact O-N 3.47Å |
Retrieved 77 of 77 residues in 57.1 ms
(Link to these results)