| 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 | G | 40.8 | Very low | 47.8 | Very low | 142 Ų | 142 | 107 Ų | 107 | 100% | 1.464 | 83% | 0.826 | S | S | * | * | 0 | 122.3 | 0 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 2 | G | 44.4 | Very low | 48.2 | Very low | 83 Ų | 83 | 111.3 Ų | 111.3 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | trans | -173.4 | 90.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 3 | A | 44 | Very low | 48.5 | Very low | 105 Ų | 105 | 108.3 Ų | 108.3 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | trans | -99.7 | 123.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 4 | G | 53.7 | Low | 48.6 | Very low | 74 Ų | 74 | 115.1 Ų | 115.1 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | trans | 71.2 | 162.5 | 149.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 5 | P | 51.2 | Low | 48.5 | Very low | 104 Ų | 104 | 118.7 Ų | 118.7 | 68% | 0.675 | 81% | 0.814 | S | S | * | * | cis | -124.3 | 114.9 | 2.9 | 32.5 | -13.1 | 0 | 0 | 0 | 113.9 | S7 | P5-S7 VanDerWaalsContact C-N 3.3Å; P5-S7 PolarHBondContact O-N 3.17Å; P5-S7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | S | 54.8 | Low | 48.6 | Very low | 135 Ų | 135 | 118.7 Ų | 118.7 | 94% | 0.944 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 82.5 | 153 | -58.2 | 0 | 0 | 0 | 0 | 108.6 | ||
| 7 | S | 49.8 | Very low | 48.6 | Very low | 82 Ų | 82 | 117.4 Ų | 117.4 | 57% | 0.573 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -158.7 | -8.6 | 172.6 | 54.9 | 0 | 0 | 0 | 0 | 115.6 | P5 G9 | P5-S7 VanDerWaalsContact C-N 3.3Å; P5-S7 PolarHBondContact O-N 3.17Å; P5-S7 VanDerWaalsContact O-N 3.15Å; S7-G9 VanDerWaalsContact C-N 3.35Å; S7-G9 PolarHBondContact O-N 3.07Å |
| 8 | A | 46.1 | Very low | 48.8 | Very low | 87 Ų | 87 | 118.1 Ų | 118.1 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -16.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 9 | G | 45.8 | Very low | 48.8 | Very low | 62 Ų | 62 | 118.3 Ų | 118.3 | 64% | 0.639 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -18.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | S7 L11 | S7-G9 VanDerWaalsContact C-N 3.35Å; S7-G9 PolarHBondContact O-N 3.07Å; G9-L11 VanDerWaalsContact C-N 3.32Å; G9-L11 PolarHBondContact O-N 2.9Å |
| 10 | L | 47.8 | Very low | 48.8 | Very low | 163 Ų | 163 | 115.1 Ų | 115.1 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -5.6 | -170.8 | -148.2 | 99 | 0 | 0 | 0 | 113.7 | ||
| 11 | L | 47.7 | Very low | 49 | Very low | 140 Ų | 140 | 117.7 Ų | 117.7 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | -2.6 | -179.3 | -69.9 | 173.2 | 0 | 0 | 0 | 114.1 | G9 G13 R14 | G9-L11 VanDerWaalsContact C-N 3.32Å; G9-L11 PolarHBondContact O-N 2.9Å; L11-G13 PolarHBondContact O-N 2.67Å; L11-R14 PolarHBondContact O-N 3.27Å |
| 12 | I | 52.8 | Low | 49.3 | Very low | 158 Ų | 158 | 118.1 Ų | 118.1 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 21.3 | 166.1 | -38.3 | -178.7 | 0 | 0 | 0 | 110.5 | ||
| 13 | G | 51.9 | Low | 49.9 | Very low | 73 Ų | 73 | 118.6 Ų | 118.6 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -1.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L11 | L11-G13 PolarHBondContact O-N 2.67Š|
| 14 | R | 49 | Very low | 50.5 | Low | 203 Ų | 203 | 119.4 Ų | 119.4 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | trans | -153.7 | 74.4 | -172.7 | -165.6 | 176 | 97.3 | 143.2 | 3.1 | 113 | L11 | L11-R14 PolarHBondContact O-N 3.27Š| ||
| 15 | E | 48.1 | Very low | 50.6 | Low | 169 Ų | 169 | 119.9 Ų | 119.9 | 79% | 0.79 | 72% | 0.722 | S | S | * | * | trans | -141.3 | 91 | 148.6 | -64.1 | -57 | 149 | 0 | 0 | 106.6 | S17 | E15-S17 PolarHBondContact O-N 3.38Š| ||
| 16 | T | 50.4 | Low | 51.4 | Low | 119 Ų | 119 | 117.9 Ų | 117.9 | 73% | 0.73 | 71% | 0.709 | S | S | * | * | trans | -49.9 | 86.5 | 155.4 | 41.7 | 0 | 0 | 0 | 0 | 108.2 | V18 | T16-V18 PolarHBondContact O-N 3.18Š| ||
| 17 | S | 47.6 | Very low | 52.1 | Low | 97 Ų | 97 | 117.2 Ų | 117.2 | 68% | 0.678 | 70% | 0.699 | S | S | * | * | trans | -71.9 | 67.8 | 166.9 | -165.9 | 0 | 0 | 0 | 0 | 108 | E15 | E15-S17 PolarHBondContact O-N 3.38Š| ||
| 18 | V | 53.4 | Low | 53.1 | Low | 129 Ų | 129 | 118 Ų | 118 | 78% | 0.782 | 69% | 0.69 | S | S | * | * | trans | -88.7 | 3.4 | 173.2 | 174.1 | 0 | 0 | 0 | 0 | 109.6 | T16 | T16-V18 PolarHBondContact O-N 3.18Š| ||
| 19 | S | 48.6 | Very low | 54.5 | Low | 122 Ų | 122 | 114.7 Ų | 114.7 | 85% | 0.853 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -145.5 | 62.3 | -176.5 | -154.2 | 0 | 0 | 0 | 0 | 112 | ||
| 20 | A | 48.4 | Very low | 56 | Low | 54 Ų | 54 | 118.7 Ų | 118.7 | 45% | 0.446 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -147.9 | 98.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||
| 21 | H | 52.4 | Low | 57.5 | Low | 170 Ų | 170 | 113.1 Ų | 113.1 | 79% | 0.787 | 64% | 0.635 | S | S | * | * | trans | 70.1 | 90.3 | 172.2 | -38.4 | -75.3 | 0 | 0 | 0 | 112.5 | P23 | H21-P23 VanDerWaalsContact C-N 3.29Å; H21-P23 WeakPolarHBondContact O-CD 3.18Å | ||
| 22 | L | 47.7 | Very low | 59.1 | Low | 151 Ų | 151 | 107.6 Ų | 107.6 | 79% | 0.791 | 61% | 0.609 | S | S | * | * | trans | -52.7 | 110.5 | 142.7 | -81.5 | 90.1 | 0 | 0 | 0 | 104.1 | L25 | L22-L25 HydrophobicContact CD2-CD1 4.33Š| ||
| 23 | P | 57.2 | Low | 60.5 | Low | 93 Ų | 93 | 104.5 Ų | 104.5 | 60% | 0.604 | 60% | 0.597 | S | S | * | * | trans | -54 | 137 | 173 | 24.2 | -31.6 | 0 | 0 | 0 | 105.2 | H21 L25 | H21-P23 VanDerWaalsContact C-N 3.29Å; H21-P23 WeakPolarHBondContact O-CD 3.18Å; P23-L25 WeakPolarHBondContact O-CA 3.25Å; P23-L25 PolarHBondContact O-N 3.31Å | ||
| 24 | P | 55.8 | Low | 62 | Low | 123 Ų | 123 | 108.4 Ų | 108.4 | 80% | 0.799 | 59% | 0.594 | S | S | * | * | trans | -46.5 | 112.4 | 178.1 | 19.7 | -31.3 | 0 | 0 | 0 | 105.9 | ||||
| 25 | L | 55.6 | Low | 63.7 | Low | 84 Ų | 84 | 102 Ų | 102 | 44% | 0.44 | 57% | 0.574 | S | S | . | * | trans | -49 | 125 | -167.1 | -93.6 | 100.8 | 0 | 0 | 0 | 105.8 | L22 P23 V27 A29 W30 | L22-L25 HydrophobicContact CD2-CD1 4.33Å; P23-L25 WeakPolarHBondContact O-CA 3.25Å; P23-L25 PolarHBondContact O-N 3.31Å; L25-V27 PolarHBondContact O-N 2.96Å; L25-A29 HydrophobicContact CB-CB 4.25Å; L25-A29 HydrophobicContact CD2-CB 3.94Å; L25-W30 PolarHBondContact O-NE1 3.22Å | ||
| 26 | P | 68.1 | Low | 65.4 | Low | 61 Ų | 61 | 97.7 Ų | 97.7 | 40% | 0.396 | 56% | 0.559 | S | S | . | * | trans | -51.4 | 141.1 | -170.6 | 18.8 | -31 | 0 | 0 | 0 | 107.7 | W28 A29 | P26-W28 CarbonylContact O-C 3.56Å; P26-W28 PolarHBondContact O-N 3.22Å; P26-A29 HydrophobicContact CG-CB 4.14Å; P26-A29 WeakPolarHBondContact O-CA 2.98Å; P26-A29 WeakPolarHBondContact O-CB 3.44Å; P26-A29 PolarHBondContact O-N 2.84Å | ||
| 27 | V | 70.2 | Confident | 67 | Low | 122 Ų | 122 | 95.5 Ų | 95.5 | 74% | 0.739 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -48.4 | -30.5 | -177 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | L25 W30 A31 | L25-V27 PolarHBondContact O-N 2.96Å; V27-W30 PolarHBondContact O-N 3.44Å; V27-A31 WeakPolarHBondContact O-CB 3.4Å; V27-A31 PolarHBondContact O-N 3.43Å |
| 28 | W | 70.9 | Confident | 68.8 | Low | 99 Ų | 99 | 99.8 Ų | 99.8 | 38% | 0.375 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -57.8 | -39.7 | 170.6 | -58.4 | 114.5 | 0 | 0 | 0 | 116.3 | P26 A31 S32 F66 S70 | P26-W28 CarbonylContact O-C 3.56Å; P26-W28 PolarHBondContact O-N 3.22Å; W28-A31 PolarHBondContact O-N 2.73Å; W28-S32 WeakPolarHBondContact O-CB 3.26Å; W28-S32 PolarHBondContact O-N 3.43Å; W28-F66 HydrophobicContact CE3-CE1 4.5Å; W28-F66 AromaticContact CH2-CE1 3.99Å; W28-F66 HydrophobicContact CH2-CE1 3.99Å; W28-F66 HydrophobicContact CH2-CE2 4.25Å; W28-F66 AromaticContact CH2-CZ 3.57Å; W28-F66 HydrophobicContact CH2-CZ 3.57Å; W28-F66 HydrophobicContact CZ3-CD1 4.24Å; W28-F66 AromaticContact CZ3-CE1 3.42Å; W28-F66 HydrophobicContact CZ3-CE1 3.42Å; W28-F66 VanDerWaalsContact CZ3-CE1 3.42Å; W28-F66 HydrophobicContact CZ3-CE2 4.44Å; W28-F66 AromaticContact CZ3-CZ 3.53Å; W28-F66 HydrophobicContact CZ3-CZ 3.53Å; W28-S70 VanDerWaalsContact CE2-CB 3.48Å; W28-S70 VanDerWaalsContact CE3-OG 3.3Å; W28-S70 WeakPolarHBondContact CH2-OG 3.3Å; W28-S70 VanDerWaalsContact CZ2-OG 3.23Å; W28-S70 WeakPolarHBondContact CZ2-OG 3.4Å; W28-S70 WeakPolarHBondContact CZ3-OG 3.13Å |
| 29 | A | 74.3 | Confident | 70.2 | Confident | 17 Ų | 17 | 95.8 Ų | 95.8 | 14% | 0.14 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L25 P26 S32 V33 | L25-A29 HydrophobicContact CB-CB 4.25Å; L25-A29 HydrophobicContact CD2-CB 3.94Å; P26-A29 HydrophobicContact CG-CB 4.14Å; P26-A29 WeakPolarHBondContact O-CA 2.98Å; P26-A29 WeakPolarHBondContact O-CB 3.44Å; P26-A29 PolarHBondContact O-N 2.84Å; A29-S32 WeakPolarHBondContact O-CB 3.5Å; A29-S32 PolarHBondContact O-N 3.47Å; A29-V33 WeakPolarHBondContact O-CG2 3.5Å; A29-V33 PolarHBondContact O-N 3.18Å |
| 30 | W | 78.9 | Confident | 71.9 | Confident | 145 Ų | 145 | 96.3 Ų | 96.3 | 55% | 0.549 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 173.8 | -67.2 | 101.3 | 0 | 0 | 0 | 112.1 | L25 V27 S32 V33 F34 | L25-W30 PolarHBondContact O-NE1 3.22Å; V27-W30 PolarHBondContact O-N 3.44Å; W30-S32 VanDerWaalsContact C-N 3.3Å; W30-S32 PolarHBondContact O-N 2.8Å; W30-V33 PolarHBondContact O-N 2.89Å; W30-V33 VanDerWaalsContact O-N 3.14Å; W30-F34 PolarHBondContact O-N 2.84Å; W30-F34 VanDerWaalsContact O-N 3.13Å |
| 31 | A | 79.1 | Confident | 73.8 | Confident | 46 Ų | 46 | 99.2 Ų | 99.2 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58 | -43.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V27 W28 V33 F34 L35 | V27-A31 WeakPolarHBondContact O-CB 3.4Å; V27-A31 PolarHBondContact O-N 3.43Å; W28-A31 PolarHBondContact O-N 2.73Å; A31-V33 PolarHBondContact O-N 3.33Å; A31-F34 PolarHBondContact O-N 3.35Å; A31-L35 WeakPolarHBondContact O-CB 2.97Å; A31-L35 PolarHBondContact O-N 3.31Å |
| 32 | S | 79.9 | Confident | 75.3 | Confident | 25 Ų | 25 | 96.6 Ų | 96.6 | 18% | 0.175 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 175.2 | -173.8 | 0 | 0 | 0 | 0 | 112.8 | W28 A29 W30 F34 L35 V36 | W28-S32 WeakPolarHBondContact O-CB 3.26Å; W28-S32 PolarHBondContact O-N 3.43Å; A29-S32 WeakPolarHBondContact O-CB 3.5Å; A29-S32 PolarHBondContact O-N 3.47Å; W30-S32 VanDerWaalsContact C-N 3.3Å; W30-S32 PolarHBondContact O-N 2.8Å; S32-F34 VanDerWaalsContact C-N 3.27Å; S32-F34 PolarHBondContact O-N 3.28Å; S32-L35 PolarHBondContact O-N 3.38Å; S32-V36 WeakPolarHBondContact O-CB 3.29Å; S32-V36 WeakPolarHBondContact O-CG2 3.5Å; S32-V36 PolarHBondContact O-N 2.91Å |
| 33 | V | 83.6 | Confident | 76.8 | Confident | 93 Ų | 93 | 91.6 Ų | 91.6 | 56% | 0.564 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.3 | -35.6 | 179 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | A29 W30 A31 P37 | A29-V33 WeakPolarHBondContact O-CG2 3.5Å; A29-V33 PolarHBondContact O-N 3.18Å; W30-V33 PolarHBondContact O-N 2.89Å; W30-V33 VanDerWaalsContact O-N 3.14Å; A31-V33 PolarHBondContact O-N 3.33Å; V33-P37 WeakPolarHBondContact O-CD 3.3Å; V33-P37 VanDerWaalsContact O-CG 3.3Å; V33-P37 WeakPolarHBondContact O-CG 3.39Å |
| 34 | F | 83.9 | Confident | 78 | Confident | 155 Ų | 155 | 93.8 Ų | 93.8 | 68% | 0.68 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -80.3 | -33.4 | 172.9 | -87.9 | -83 | 0 | 0 | 0 | 113.3 | W30 A31 S32 P37 | W30-F34 PolarHBondContact O-N 2.84Å; W30-F34 VanDerWaalsContact O-N 3.13Å; A31-F34 PolarHBondContact O-N 3.35Å; S32-F34 VanDerWaalsContact C-N 3.27Å; S32-F34 PolarHBondContact O-N 3.28Å; F34-P37 WeakPolarHBondContact O-CD 2.97Å; F34-P37 WeakPolarHBondContact O-CG 3.48Å |
| 35 | L | 83.9 | Confident | 79.4 | Confident | 68 Ų | 68 | 92.8 Ų | 92.8 | 36% | 0.356 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -75.9 | -38.7 | -175.2 | -165 | 69.2 | 0 | 0 | 0 | 112.5 | A31 S32 Y38 L39 V63 L67 | A31-L35 WeakPolarHBondContact O-CB 2.97Å; A31-L35 PolarHBondContact O-N 3.31Å; S32-L35 PolarHBondContact O-N 3.38Å; L35-Y38 WeakPolarHBondContact O-CB 3.26Å; L35-Y38 PolarHBondContact O-N 2.82Å; L35-L39 VanDerWaalsContact O-CB 3.26Å; L35-L39 WeakPolarHBondContact O-CB 3.16Å; L35-L39 PolarHBondContact O-N 2.96Å; L35-V63 HydrophobicContact CD2-CG1 3.33Å; L35-V63 HydrophobicContact CG-CG1 4.29Å; L35-L67 HydrophobicContact CD2-CD1 4.04Å; L35-L67 HydrophobicContact CD2-CD2 4.43Å; L35-L67 HydrophobicContact CD2-CG 4.43Å |
| 36 | V | 82.6 | Confident | 80.3 | Confident | 79 Ų | 79 | 91.5 Ų | 91.5 | 48% | 0.479 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -56.5 | -52.3 | 178.7 | 167.7 | 0 | 0 | 0 | 0 | 113.1 | S32 Y38 L39 Q40 | S32-V36 WeakPolarHBondContact O-CB 3.29Å; S32-V36 WeakPolarHBondContact O-CG2 3.5Å; S32-V36 PolarHBondContact O-N 2.91Å; V36-Y38 VanDerWaalsContact C-N 3.27Å; V36-Y38 PolarHBondContact O-N 3.2Å; V36-L39 PolarHBondContact O-N 3.37Å; V36-Q40 WeakPolarHBondContact O-CB 2.93Å; V36-Q40 PolarHBondContact O-N 2.93Å |
| 37 | P | 85.5 | Confident | 80.7 | Confident | 73 Ų | 73 | 92.1 Ų | 92.1 | 47% | 0.474 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.7 | -33.4 | 178.5 | 24.4 | -33.4 | 0 | 0 | 0 | 112 | V33 F34 Q40 L41 | V33-P37 WeakPolarHBondContact O-CD 3.3Å; V33-P37 VanDerWaalsContact O-CG 3.3Å; V33-P37 WeakPolarHBondContact O-CG 3.39Å; F34-P37 WeakPolarHBondContact O-CD 2.97Å; F34-P37 WeakPolarHBondContact O-CG 3.48Å; P37-Q40 PolarHBondContact O-N 3.11Å; P37-L41 PolarHBondContact O-N 3.36Å |
| 38 | Y | 84.9 | Confident | 80.8 | Confident | 187 Ų | 187 | 90.5 Ų | 90.5 | 73% | 0.733 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.8 | -43.2 | 175.3 | -134.4 | -86.5 | 0 | 0 | 0 | 111.9 | L35 V36 L41 F42 | L35-Y38 WeakPolarHBondContact O-CB 3.26Å; L35-Y38 PolarHBondContact O-N 2.82Å; V36-Y38 VanDerWaalsContact C-N 3.27Å; V36-Y38 PolarHBondContact O-N 3.2Å; Y38-L41 PolarHBondContact O-N 3.39Å; Y38-F42 WeakPolarHBondContact O-CB 3.38Å; Y38-F42 PolarHBondContact O-N 2.69Å |
| 39 | L | 82.7 | Confident | 81 | Confident | 44 Ų | 44 | 91.3 Ų | 91.3 | 23% | 0.23 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 176 | -165.1 | 63.8 | 0 | 0 | 0 | 110 | L35 V36 L41 F42 L43 V60 | L35-L39 VanDerWaalsContact O-CB 3.26Å; L35-L39 WeakPolarHBondContact O-CB 3.16Å; L35-L39 PolarHBondContact O-N 2.96Å; V36-L39 PolarHBondContact O-N 3.37Å; L39-L41 VanDerWaalsContact C-N 3.34Å; L39-L41 PolarHBondContact O-N 3.04Å; L39-F42 PolarHBondContact O-N 3.11Å; L39-L43 HydrophobicContact CB-CD1 4.49Å; L39-L43 HydrophobicContact CD1-CD1 3.96Å; L39-L43 HydrophobicContact CG-CD1 3.61Å; L39-L43 WeakPolarHBondContact O-CD1 3.4Å; L39-L43 PolarHBondContact O-N 3.42Å; L39-V60 HydrophobicContact CD1-CG2 4.14Å; L39-V60 HydrophobicContact CD2-CG1 4.18Å; L39-V60 HydrophobicContact CD2-CG2 4.34Å; L39-V60 HydrophobicContact CG-CG2 4.43Å |
| 40 | Q | 84.7 | Confident | 80.4 | Confident | 133 Ų | 133 | 98 Ų | 98 | 62% | 0.621 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.4 | -44.6 | 174.8 | -167.5 | 73.9 | 37.1 | 0 | 0 | 111.6 | V36 P37 L43 F44 | V36-Q40 WeakPolarHBondContact O-CB 2.93Å; V36-Q40 PolarHBondContact O-N 2.93Å; P37-Q40 PolarHBondContact O-N 3.11Å; Q40-L43 PolarHBondContact O-N 3.23Å; Q40-F44 VanDerWaalsContact O-CB 3.26Å; Q40-F44 WeakPolarHBondContact O-CB 3.4Å; Q40-F44 PolarHBondContact O-N 3.43Å |
| 41 | L | 88.4 | Confident | 79.9 | Confident | 116 Ų | 116 | 95.5 Ų | 95.5 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63 | -44 | 176.3 | -136.7 | 92.3 | 0 | 0 | 0 | 110.9 | P37 Y38 L39 F44 L45 | P37-L41 PolarHBondContact O-N 3.36Å; Y38-L41 PolarHBondContact O-N 3.39Å; L39-L41 VanDerWaalsContact C-N 3.34Å; L39-L41 PolarHBondContact O-N 3.04Å; L41-F44 WeakPolarHBondContact O-CB 3.44Å; L41-F44 PolarHBondContact O-N 3.4Å; L41-L45 HydrophobicContact CD2-CD1 4.13Å; L41-L45 HydrophobicContact CG-CD1 4.09Å; L41-L45 WeakPolarHBondContact O-CD1 3.2Å; L41-L45 PolarHBondContact O-N 2.8Å |
| 42 | F | 83.2 | Confident | 79.2 | Confident | 114 Ų | 114 | 96.9 Ų | 96.9 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 178.4 | -169.8 | -93 | 0 | 0 | 0 | 111.5 | Y38 L39 F44 L45 F46 | Y38-F42 WeakPolarHBondContact O-CB 3.38Å; Y38-F42 PolarHBondContact O-N 2.69Å; L39-F42 PolarHBondContact O-N 3.11Å; F42-F44 VanDerWaalsContact C-N 3.29Å; F42-F44 PolarHBondContact O-N 2.99Å; F42-L45 PolarHBondContact O-N 2.86Å; F42-F46 HydrophobicContact CE1-CD2 4.31Å; F42-F46 WeakPolarHBondContact O-CB 3.32Å; F42-F46 PolarHBondContact O-N 2.91Å |
| 43 | L | 79.1 | Confident | 78.6 | Confident | 47 Ų | 47 | 100.6 Ų | 100.6 | 25% | 0.246 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -61.3 | -38.7 | 173.7 | -88.2 | 93.7 | 0 | 0 | 0 | 111.4 | L39 Q40 F46 S47 V56 V60 | L39-L43 HydrophobicContact CB-CD1 4.49Å; L39-L43 HydrophobicContact CD1-CD1 3.96Å; L39-L43 HydrophobicContact CG-CD1 3.61Å; L39-L43 WeakPolarHBondContact O-CD1 3.4Å; L39-L43 PolarHBondContact O-N 3.42Å; Q40-L43 PolarHBondContact O-N 3.23Å; L43-F46 PolarHBondContact O-N 3.36Å; L43-S47 VanDerWaalsContact O-CB 3.25Å; L43-S47 WeakPolarHBondContact O-CB 3.3Å; L43-S47 PolarHBondContact O-N 3.15Å; L43-S47 PolarHBondContact O-OG 3.45Å; L43-V56 HydrophobicContact CD1-CG1 4.43Å; L43-V56 HydrophobicContact CD2-CG1 3.43Å; L43-V56 VanDerWaalsContact CD2-CG1 3.43Å; L43-V56 HydrophobicContact CG-CG1 3.69Å; L43-V60 HydrophobicContact CD1-CG2 3.88Å |
| 44 | F | 83.1 | Confident | 78.1 | Confident | 138 Ų | 138 | 105 Ų | 105 | 61% | 0.605 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65 | -52.4 | 177.8 | -178.5 | -100.2 | 0 | 0 | 0 | 111.1 | Q40 L41 F42 F46 S47 C48 | Q40-F44 VanDerWaalsContact O-CB 3.26Å; Q40-F44 WeakPolarHBondContact O-CB 3.4Å; Q40-F44 PolarHBondContact O-N 3.43Å; L41-F44 WeakPolarHBondContact O-CB 3.44Å; L41-F44 PolarHBondContact O-N 3.4Å; F42-F44 VanDerWaalsContact C-N 3.29Å; F42-F44 PolarHBondContact O-N 2.99Å; F44-F46 PolarHBondContact O-N 3.48Å; F44-S47 PolarHBondContact O-N 2.76Å; F44-C48 WeakPolarHBondContact O-CB 3.34Å; F44-C48 PolarHBondContact O-N 2.94Å; F44-C48 PolarHBondContact O-SG 3.26Å |
| 45 | L | 83.9 | Confident | 77.6 | Confident | 103 Ų | 103 | 99.2 Ų | 99.2 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57 | -41.7 | 174.7 | -89.5 | 92.9 | 0 | 0 | 0 | 111.5 | L41 F42 C48 T49 | L41-L45 HydrophobicContact CD2-CD1 4.13Å; L41-L45 HydrophobicContact CG-CD1 4.09Å; L41-L45 WeakPolarHBondContact O-CD1 3.2Å; L41-L45 PolarHBondContact O-N 2.8Å; F42-L45 PolarHBondContact O-N 2.86Å; L45-C48 WeakPolarHBondContact O-CB 3.49Å; L45-C48 PolarHBondContact O-N 3.38Å; L45-T49 PolarHBondContact O-N 2.88Å; L45-T49 VanDerWaalsContact O-N 3.11Å; L45-T49 PolarHBondContact O-OG1 2.95Å |
| 46 | F | 74.9 | Confident | 77.2 | Confident | 56 Ų | 56 | 97 Ų | 97 | 25% | 0.246 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -69.9 | -43.4 | 180 | -155.6 | -87.7 | 0 | 0 | 0 | 111.4 | F42 L43 F44 C48 T49 R50 A55 V56 | F42-F46 HydrophobicContact CE1-CD2 4.31Å; F42-F46 WeakPolarHBondContact O-CB 3.32Å; F42-F46 PolarHBondContact O-N 2.91Å; L43-F46 PolarHBondContact O-N 3.36Å; F44-F46 PolarHBondContact O-N 3.48Å; F46-C48 PolarHBondContact O-N 2.82Å; F46-T49 CarbonylContact O-C 3.57Å; F46-T49 PolarHBondContact O-N 3.04Å; F46-T49 PolarHBondContact O-OG1 2.79Å; F46-R50 HydrophobicContact CD1-CB 4.07Å; F46-R50 HydrophobicContact CE1-CB 3.7Å; F46-R50 HydrophobicContact CZ-CB 4.15Å; F46-R50 CarbonylContact O-C 3.28Å; F46-R50 VanDerWaalsContact O-C 3.28Å; F46-R50 WeakPolarHBondContact O-CA 3.47Å; F46-R50 PolarHBondContact O-N 3.19Å; F46-A55 HydrophobicContact CE1-CB 4.35Å; F46-A55 HydrophobicContact CZ-CB 4.49Å; F46-V56 HydrophobicContact CB-CG2 4.34Å; F46-V56 HydrophobicContact CD1-CG2 3.46Å; F46-V56 VanDerWaalsContact CD1-CG2 3.46Å; F46-V56 HydrophobicContact CE1-CG2 4.01Å; F46-V56 HydrophobicContact CG-CG2 4.08Å |
| 47 | S | 76 | Confident | 77.1 | Confident | 75 Ų | 75 | 95 Ų | 95 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.3 | -32.8 | 172.9 | -75.6 | 0 | 0 | 0 | 0 | 112.3 | L43 F44 T49 | L43-S47 VanDerWaalsContact O-CB 3.25Å; L43-S47 WeakPolarHBondContact O-CB 3.3Å; L43-S47 PolarHBondContact O-N 3.15Å; L43-S47 PolarHBondContact O-OG 3.45Å; F44-S47 PolarHBondContact O-N 2.76Å; S47-T49 VanDerWaalsContact C-N 3.31Å |
| 48 | C | 72.6 | Confident | 76.9 | Confident | 88 Ų | 88 | 99.4 Ų | 99.4 | 60% | 0.595 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.9 | -22.4 | 173.7 | -69.9 | 0 | 0 | 0 | 0 | 113.5 | F44 L45 F46 | F44-C48 WeakPolarHBondContact O-CB 3.34Å; F44-C48 PolarHBondContact O-N 2.94Å; F44-C48 PolarHBondContact O-SG 3.26Å; L45-C48 WeakPolarHBondContact O-CB 3.49Å; L45-C48 PolarHBondContact O-N 3.38Å; F46-C48 PolarHBondContact O-N 2.82Å |
| 49 | T | 76.1 | Confident | 76.4 | Confident | 115 Ų | 115 | 94.2 Ų | 94.2 | 71% | 0.706 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -113.8 | -23.6 | -176.7 | 41.3 | 0 | 0 | 0 | 0 | 114.8 | L45 F46 S47 | L45-T49 PolarHBondContact O-N 2.88Å; L45-T49 VanDerWaalsContact O-N 3.11Å; L45-T49 PolarHBondContact O-OG1 2.95Å; F46-T49 CarbonylContact O-C 3.57Å; F46-T49 PolarHBondContact O-N 3.04Å; F46-T49 PolarHBondContact O-OG1 2.79Å; S47-T49 VanDerWaalsContact C-N 3.31Å |
| 50 | R | 61.3 | Low | 76.3 | Confident | 159 Ų | 159 | 93.6 Ų | 93.6 | 60% | 0.6 | 50% | 0.499 | S | S | * | . | trans | -152.1 | 106.6 | 177.2 | -93.3 | -139.8 | -171.9 | -176.6 | 5.3 | 109 | F46 D52 | F46-R50 HydrophobicContact CD1-CB 4.07Å; F46-R50 HydrophobicContact CE1-CB 3.7Å; F46-R50 HydrophobicContact CZ-CB 4.15Å; F46-R50 CarbonylContact O-C 3.28Å; F46-R50 VanDerWaalsContact O-C 3.28Å; F46-R50 WeakPolarHBondContact O-CA 3.47Å; F46-R50 PolarHBondContact O-N 3.19Å; R50-D52 PolarHBondContact O-N 3.43Å | ||
| 51 | A | 68.8 | Low | 76.3 | Confident | 92 Ų | 92 | 92 Ų | 92 | 76% | 0.76 | 49% | 0.494 | S | S | * | . | trans | -76.1 | 38.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P53 | A51-P53 WeakPolarHBondContact O-CD 3.26Š| ||
| 52 | D | 64.8 | Low | 76 | Confident | 75 Ų | 75 | 90 Ų | 90 | 40% | 0.401 | 49% | 0.488 | S | S | . | . | trans | -103.5 | 95.7 | 179.4 | -152.9 | -50.8 | 0 | 0 | 0 | 111.1 | R50 R54 A55 | R50-D52 PolarHBondContact O-N 3.43Å; D52-R54 PolarHBondContact O-N 3.34Å; D52-R54 WeakPolarHBondContact OD1-CB 3.41Å; D52-R54 PolarHBondContact OD1-N 2.8Å; D52-A55 PolarHBondContact O-N 3.13Å | ||
| 53 | P | 67.1 | Low | 76 | Confident | 103 Ų | 103 | 86.6 Ų | 86.6 | 67% | 0.669 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.5 | -19 | -174.5 | 27.9 | -35.8 | 0 | 0 | 0 | 112.9 | A51 G57 | A51-P53 WeakPolarHBondContact O-CD 3.26Å; P53-G57 PolarHBondContact O-N 2.91Å; P53-G57 VanDerWaalsContact O-N 3.07Å |
| 54 | R | 71.8 | Confident | 76 | Confident | 185 Ų | 185 | 87.2 Ų | 87.2 | 70% | 0.698 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -69.3 | -44.4 | 179 | -68.2 | -91.7 | -170.1 | -162.4 | 0.7 | 110.8 | D52 G57 Y58 | D52-R54 PolarHBondContact O-N 3.34Å; D52-R54 WeakPolarHBondContact OD1-CB 3.41Å; D52-R54 PolarHBondContact OD1-N 2.8Å; R54-G57 PolarHBondContact O-N 3.44Å; R54-Y58 HydrophobicContact CB-CE2 4.39Å; R54-Y58 WeakPolarHBondContact O-CD2 3.06Å; R54-Y58 PolarHBondContact O-N 3.37Å |
| 55 | A | 74.5 | Confident | 76.1 | Confident | 34 Ų | 34 | 84.9 Ų | 84.9 | 28% | 0.281 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F46 D52 Y58 C59 | F46-A55 HydrophobicContact CE1-CB 4.35Å; F46-A55 HydrophobicContact CZ-CB 4.49Å; D52-A55 PolarHBondContact O-N 3.13Å; A55-Y58 PolarHBondContact O-N 3.49Å; A55-C59 PolarHBondContact O-N 2.95Å |
| 56 | V | 74.5 | Confident | 76.1 | Confident | 21 Ų | 21 | 85.7 Ų | 85.7 | 13% | 0.127 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -60.6 | -45 | 173.3 | 157.4 | 0 | 0 | 0 | 0 | 111.1 | L43 F46 Y58 C59 V60 | L43-V56 HydrophobicContact CD1-CG1 4.43Å; L43-V56 HydrophobicContact CD2-CG1 3.43Å; L43-V56 VanDerWaalsContact CD2-CG1 3.43Å; L43-V56 HydrophobicContact CG-CG1 3.69Å; F46-V56 HydrophobicContact CB-CG2 4.34Å; F46-V56 HydrophobicContact CD1-CG2 3.46Å; F46-V56 VanDerWaalsContact CD1-CG2 3.46Å; F46-V56 HydrophobicContact CE1-CG2 4.01Å; F46-V56 HydrophobicContact CG-CG2 4.08Å; V56-Y58 VanDerWaalsContact C-N 3.32Å; V56-Y58 PolarHBondContact O-N 2.86Å; V56-C59 PolarHBondContact O-N 3.4Å; V56-C59 VanDerWaalsContact O-N 3.11Å; V56-V60 HydrophobicContact CG1-CG2 4.09Å; V56-V60 VanDerWaalsContact O-CG2 3.26Å; V56-V60 WeakPolarHBondContact O-CG2 3.38Å; V56-V60 PolarHBondContact O-N 3.37Å |
| 57 | G | 80.4 | Confident | 76.1 | Confident | 38 Ų | 38 | 84.5 Ų | 84.5 | 39% | 0.392 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -56.5 | -44.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P53 R54 C59 V60 L61 | P53-G57 PolarHBondContact O-N 2.91Å; P53-G57 VanDerWaalsContact O-N 3.07Å; R54-G57 PolarHBondContact O-N 3.44Å; G57-C59 VanDerWaalsContact C-N 3.33Å; G57-C59 PolarHBondContact O-N 2.92Å; G57-V60 PolarHBondContact O-N 3.27Å; G57-L61 VanDerWaalsContact O-CB 3.3Å; G57-L61 WeakPolarHBondContact O-CB 3.42Å; G57-L61 PolarHBondContact O-N 2.9Å |
| 58 | Y | 81.9 | Confident | 76.3 | Confident | 164 Ų | 164 | 85 Ų | 85 | 64% | 0.643 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.8 | -31.4 | 177.3 | -65 | -59.4 | 0 | 0 | 0 | 113.6 | R54 A55 V56 P62 | R54-Y58 HydrophobicContact CB-CE2 4.39Å; R54-Y58 WeakPolarHBondContact O-CD2 3.06Å; R54-Y58 PolarHBondContact O-N 3.37Å; A55-Y58 PolarHBondContact O-N 3.49Å; V56-Y58 VanDerWaalsContact C-N 3.32Å; V56-Y58 PolarHBondContact O-N 2.86Å; Y58-P62 WeakPolarHBondContact O-CD 3.29Å |
| 59 | C | 74.6 | Confident | 76.4 | Confident | 79 Ų | 79 | 83.4 Ų | 83.4 | 53% | 0.534 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -77.6 | -34.5 | 175.7 | -76.8 | 0 | 0 | 0 | 0 | 113.1 | A55 V56 G57 P62 | A55-C59 PolarHBondContact O-N 2.95Å; V56-C59 PolarHBondContact O-N 3.4Å; V56-C59 VanDerWaalsContact O-N 3.11Å; G57-C59 VanDerWaalsContact C-N 3.33Å; G57-C59 PolarHBondContact O-N 2.92Å; C59-P62 WeakPolarHBondContact O-CD 3.34Å; C59-P62 VanDerWaalsContact O-CG 3.31Å; C59-P62 WeakPolarHBondContact O-CG 3.22Å |
| 60 | V | 80.8 | Confident | 76.3 | Confident | 30 Ų | 30 | 78.1 Ų | 78.1 | 18% | 0.182 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -76.4 | -35.1 | -179.9 | 173 | 0 | 0 | 0 | 0 | 111.3 | L39 L43 V56 G57 V63 C64 | L39-V60 HydrophobicContact CD1-CG2 4.14Å; L39-V60 HydrophobicContact CD2-CG1 4.18Å; L39-V60 HydrophobicContact CD2-CG2 4.34Å; L39-V60 HydrophobicContact CG-CG2 4.43Å; L43-V60 HydrophobicContact CD1-CG2 3.88Å; V56-V60 HydrophobicContact CG1-CG2 4.09Å; V56-V60 VanDerWaalsContact O-CG2 3.26Å; V56-V60 WeakPolarHBondContact O-CG2 3.38Å; V56-V60 PolarHBondContact O-N 3.37Å; G57-V60 PolarHBondContact O-N 3.27Å; V60-V63 PolarHBondContact O-N 3.5Å; V60-C64 WeakPolarHBondContact CG1-SG 3.31Å; V60-C64 PolarHBondContact O-N 3.46Å; V60-C64 PolarHBondContact O-SG 2.77Å; V60-C64 VanDerWaalsContact O-SG 3.38Å |
| 61 | L | 84.6 | Confident | 76.7 | Confident | 99 Ų | 99 | 78.4 Ų | 78.4 | 52% | 0.518 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -52.6 | -50.8 | -179.1 | -168.2 | 69.4 | 0 | 0 | 0 | 114.7 | G57 V63 C64 I65 | G57-L61 VanDerWaalsContact O-CB 3.3Å; G57-L61 WeakPolarHBondContact O-CB 3.42Å; G57-L61 PolarHBondContact O-N 2.9Å; L61-V63 VanDerWaalsContact C-N 3.3Å; L61-V63 PolarHBondContact O-N 3.31Å; L61-C64 PolarHBondContact O-N 3.38Å; L61-I65 HydrophobicContact CD1-CD1 4.37Å; L61-I65 HydrophobicContact CG-CD1 4.02Å; L61-I65 WeakPolarHBondContact O-CB 3.44Å; L61-I65 VanDerWaalsContact O-CG1 3.29Å; L61-I65 WeakPolarHBondContact O-CG1 3.33Å; L61-I65 PolarHBondContact O-N 2.71Å |
| 62 | P | 81.8 | Confident | 76.8 | Confident | 74 Ų | 74 | 82.7 Ų | 82.7 | 48% | 0.481 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.4 | -36.5 | 179.8 | 24.1 | -34.7 | 0 | 0 | 0 | 112.3 | Y58 C59 I65 F66 | Y58-P62 WeakPolarHBondContact O-CD 3.29Å; C59-P62 WeakPolarHBondContact O-CD 3.34Å; C59-P62 VanDerWaalsContact O-CG 3.31Å; C59-P62 WeakPolarHBondContact O-CG 3.22Å; P62-I65 PolarHBondContact O-N 3.14Å; P62-F66 WeakPolarHBondContact O-CB 3.39Å; P62-F66 PolarHBondContact O-N 3.39Å |
| 63 | V | 82.5 | Confident | 76.8 | Confident | 43 Ų | 43 | 85.3 Ų | 85.3 | 26% | 0.261 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.7 | -44.9 | 177.6 | -179.7 | 0 | 0 | 0 | 0 | 110.8 | L35 V60 L61 I65 F66 L67 | L35-V63 HydrophobicContact CD2-CG1 3.33Å; L35-V63 HydrophobicContact CG-CG1 4.29Å; V60-V63 PolarHBondContact O-N 3.5Å; L61-V63 VanDerWaalsContact C-N 3.3Å; L61-V63 PolarHBondContact O-N 3.31Å; V63-I65 PolarHBondContact O-N 3Å; V63-F66 PolarHBondContact O-N 3.28Å; V63-L67 HydrophobicContact CG1-CD1 4.33Å; V63-L67 WeakPolarHBondContact O-CB 3.36Å; V63-L67 WeakPolarHBondContact O-CG 3.48Å; V63-L67 PolarHBondContact O-N 2.9Å |
| 64 | C | 79.7 | Confident | 76.5 | Confident | 61 Ų | 61 | 81.9 Ų | 81.9 | 41% | 0.412 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 175.6 | -70.6 | 0 | 0 | 0 | 0 | 112.2 | V60 L61 L67 L68 | V60-C64 WeakPolarHBondContact CG1-SG 3.31Å; V60-C64 PolarHBondContact O-N 3.46Å; V60-C64 PolarHBondContact O-SG 2.77Å; V60-C64 VanDerWaalsContact O-SG 3.38Å; L61-C64 PolarHBondContact O-N 3.38Å; C64-L67 PolarHBondContact O-N 3.13Å; C64-L68 VanDerWaalsContact O-CB 3.22Å; C64-L68 WeakPolarHBondContact O-CB 3.49Å; C64-L68 PolarHBondContact O-N 2.83Å |
| 65 | I | 84.9 | Confident | 75.7 | Confident | 88 Ų | 88 | 79 Ų | 79 | 45% | 0.451 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 176.2 | -70.6 | 174.8 | 0 | 0 | 0 | 110.2 | L61 P62 V63 L67 L68 C69 | L61-I65 HydrophobicContact CD1-CD1 4.37Å; L61-I65 HydrophobicContact CG-CD1 4.02Å; L61-I65 WeakPolarHBondContact O-CB 3.44Å; L61-I65 VanDerWaalsContact O-CG1 3.29Å; L61-I65 WeakPolarHBondContact O-CG1 3.33Å; L61-I65 PolarHBondContact O-N 2.71Å; P62-I65 PolarHBondContact O-N 3.14Å; V63-I65 PolarHBondContact O-N 3Å; I65-L67 PolarHBondContact O-N 3.31Å; I65-L68 PolarHBondContact O-N 3.42Å; I65-L68 VanDerWaalsContact O-N 3.13Å; I65-C69 WeakPolarHBondContact O-CB 3.45Å; I65-C69 PolarHBondContact O-N 3.25Å; I65-C69 PolarHBondContact O-SG 3.49Å |
| 66 | F | 83.7 | Confident | 74.8 | Confident | 120 Ų | 120 | 86.3 Ų | 86.3 | 53% | 0.526 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -57.3 | -48.5 | 176.9 | -179.5 | -109.6 | 0 | 0 | 0 | 111.5 | W28 P62 V63 L68 C69 S70 | W28-F66 HydrophobicContact CE3-CE1 4.5Å; W28-F66 AromaticContact CH2-CE1 3.99Å; W28-F66 HydrophobicContact CH2-CE1 3.99Å; W28-F66 HydrophobicContact CH2-CE2 4.25Å; W28-F66 AromaticContact CH2-CZ 3.57Å; W28-F66 HydrophobicContact CH2-CZ 3.57Å; W28-F66 HydrophobicContact CZ3-CD1 4.24Å; W28-F66 AromaticContact CZ3-CE1 3.42Å; W28-F66 HydrophobicContact CZ3-CE1 3.42Å; W28-F66 VanDerWaalsContact CZ3-CE1 3.42Å; W28-F66 HydrophobicContact CZ3-CE2 4.44Å; W28-F66 AromaticContact CZ3-CZ 3.53Å; W28-F66 HydrophobicContact CZ3-CZ 3.53Å; P62-F66 WeakPolarHBondContact O-CB 3.39Å; P62-F66 PolarHBondContact O-N 3.39Å; V63-F66 PolarHBondContact O-N 3.28Å; F66-L68 VanDerWaalsContact C-N 3.33Å; F66-L68 PolarHBondContact O-N 3.35Å; F66-C69 PolarHBondContact O-N 2.75Å; F66-S70 WeakPolarHBondContact O-CB 3.33Å; F66-S70 PolarHBondContact O-N 3.35Å; F66-S70 PolarHBondContact O-OG 3.45Å |
| 67 | L | 76.9 | Confident | 73.7 | Confident | 32 Ų | 32 | 90.9 Ų | 90.9 | 17% | 0.168 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -62 | -37.8 | 175.3 | -70.8 | 175.9 | 0 | 0 | 0 | 113 | L35 V63 C64 I65 R71 | L35-L67 HydrophobicContact CD2-CD1 4.04Å; L35-L67 HydrophobicContact CD2-CD2 4.43Å; L35-L67 HydrophobicContact CD2-CG 4.43Å; V63-L67 HydrophobicContact CG1-CD1 4.33Å; V63-L67 WeakPolarHBondContact O-CB 3.36Å; V63-L67 WeakPolarHBondContact O-CG 3.48Å; V63-L67 PolarHBondContact O-N 2.9Å; C64-L67 PolarHBondContact O-N 3.13Å; I65-L67 PolarHBondContact O-N 3.31Å; L67-R71 VanDerWaalsContact O-CB 3.32Å; L67-R71 WeakPolarHBondContact O-CB 2.99Å; L67-R71 VanDerWaalsContact O-CG 3.3Å; L67-R71 WeakPolarHBondContact O-CG 2.95Å; L67-R71 PolarHBondContact O-N 3.25Å |
| 68 | L | 78.2 | Confident | 72.1 | Confident | 85 Ų | 85 | 93.2 Ų | 93.2 | 45% | 0.445 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.5 | -40.9 | 178.9 | -173.4 | 66.2 | 0 | 0 | 0 | 111.7 | C64 I65 F66 R71 R72 | C64-L68 VanDerWaalsContact O-CB 3.22Å; C64-L68 WeakPolarHBondContact O-CB 3.49Å; C64-L68 PolarHBondContact O-N 2.83Å; I65-L68 PolarHBondContact O-N 3.42Å; I65-L68 VanDerWaalsContact O-N 3.13Å; F66-L68 VanDerWaalsContact C-N 3.33Å; F66-L68 PolarHBondContact O-N 3.35Å; L68-R71 PolarHBondContact O-N 3.2Å; L68-R72 VanDerWaalsContact O-CG 3.29Å; L68-R72 WeakPolarHBondContact O-CG 3.03Å; L68-R72 PolarHBondContact O-N 2.93Å |
| 69 | C | 75.6 | Confident | 70.7 | Confident | 54 Ų | 54 | 92.3 Ų | 92.3 | 37% | 0.365 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -50.3 | 173.3 | -68.8 | 0 | 0 | 0 | 0 | 110.3 | I65 F66 R71 R72 D73 | I65-C69 WeakPolarHBondContact O-CB 3.45Å; I65-C69 PolarHBondContact O-N 3.25Å; I65-C69 PolarHBondContact O-SG 3.49Å; F66-C69 PolarHBondContact O-N 2.75Å; C69-R71 PolarHBondContact O-N 3.37Å; C69-R72 WeakPolarHBondContact O-CA 3.35Å; C69-R72 WeakPolarHBondContact O-CB 3.37Å; C69-R72 PolarHBondContact O-N 3Å; C69-D73 PolarHBondContact O-N 2.91Å |
| 70 | S | 74.1 | Confident | 69.5 | Low | 5 Ų | 5 | 97.1 Ų | 97.1 | 4% | 0.035 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -60.3 | -30.7 | 176.1 | -64.8 | 0 | 0 | 0 | 0 | 114.4 | W28 F66 A74 | W28-S70 VanDerWaalsContact CE2-CB 3.48Å; W28-S70 VanDerWaalsContact CE3-OG 3.3Å; W28-S70 WeakPolarHBondContact CH2-OG 3.3Å; W28-S70 VanDerWaalsContact CZ2-OG 3.23Å; W28-S70 WeakPolarHBondContact CZ2-OG 3.4Å; W28-S70 WeakPolarHBondContact CZ3-OG 3.13Å; F66-S70 WeakPolarHBondContact O-CB 3.33Å; F66-S70 PolarHBondContact O-N 3.35Å; F66-S70 PolarHBondContact O-OG 3.45Å; S70-A74 PolarHBondContact O-N 2.77Å |
| 71 | R | 69.8 | Low | 68.1 | Low | 164 Ų | 164 | 107.2 Ų | 107.2 | 62% | 0.619 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -74.7 | -25.4 | 171.9 | -84.4 | 176.6 | 165.6 | -92.4 | 2.8 | 113.4 | L67 L68 C69 A74 | L67-R71 VanDerWaalsContact O-CB 3.32Å; L67-R71 WeakPolarHBondContact O-CB 2.99Å; L67-R71 VanDerWaalsContact O-CG 3.3Å; L67-R71 WeakPolarHBondContact O-CG 2.95Å; L67-R71 PolarHBondContact O-N 3.25Å; L68-R71 PolarHBondContact O-N 3.2Å; C69-R71 PolarHBondContact O-N 3.37Å; R71-A74 WeakPolarHBondContact O-CB 3.23Å |
| 72 | R | 70.4 | Confident | 66.4 | Low | 182 Ų | 182 | 107.1 Ų | 107.1 | 69% | 0.687 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -81.2 | -32.8 | 175.7 | -74.8 | 169.6 | 170.1 | 173.6 | -3 | 111.9 | L68 C69 A74 | L68-R72 VanDerWaalsContact O-CG 3.29Å; L68-R72 WeakPolarHBondContact O-CG 3.03Å; L68-R72 PolarHBondContact O-N 2.93Å; C69-R72 WeakPolarHBondContact O-CA 3.35Å; C69-R72 WeakPolarHBondContact O-CB 3.37Å; C69-R72 PolarHBondContact O-N 3Å; R72-A74 PolarHBondContact O-N 3.28Å |
| 73 | D | 64.3 | Low | 64.8 | Low | 131 Ų | 131 | 107.2 Ų | 107.2 | 70% | 0.701 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -70.9 | -17.7 | 171 | -64.9 | -44 | 0 | 0 | 0 | 112.3 | C69 P75 | C69-D73 PolarHBondContact O-N 2.91Å; D73-P75 WeakPolarHBondContact O-CD 3.44Å |
| 74 | A | 61.7 | Low | 63.2 | Low | 31 Ų | 31 | 113 Ų | 113 | 26% | 0.256 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -67.1 | 120.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108 | S70 R71 R72 K76 | S70-A74 PolarHBondContact O-N 2.77Å; R71-A74 WeakPolarHBondContact O-CB 3.23Å; R72-A74 PolarHBondContact O-N 3.28Å; A74-K76 VanDerWaalsContact C-N 3.35Å; A74-K76 PolarHBondContact O-N 3.32Å |
| 75 | P | 56 | Low | 61.6 | Low | 124 Ų | 124 | 118.7 Ų | 118.7 | 81% | 0.805 | 63% | 0.632 | S | S | * | * | trans | -60.6 | 99.7 | -179.7 | 23.6 | -32.3 | 0 | 0 | 0 | 108.6 | D73 P77 | D73-P75 WeakPolarHBondContact O-CD 3.44Å; P75-P77 WeakPolarHBondContact O-CD 3.42Å | ||
| 76 | K | 54.8 | Low | 59.9 | Low | 187 Ų | 187 | 126 Ų | 126 | 81% | 0.813 | 67% | 0.669 | S | S | * | * | trans | -62.6 | 120.9 | 168.9 | -172.9 | 167.1 | -178 | 167.1 | 0 | 105.2 | A74 A78 | A74-K76 VanDerWaalsContact C-N 3.35Å; A74-K76 PolarHBondContact O-N 3.32Å; K76-A78 PolarHBondContact O-N 2.86Å | ||
| 77 | P | 50.4 | Low | 58.7 | Low | 117 Ų | 117 | 126.3 Ų | 126.3 | 76% | 0.76 | 68% | 0.676 | S | S | * | * | trans | -55.7 | 113.7 | 170.7 | 22.3 | -30.2 | 0 | 0 | 0 | 106.2 | P75 N79 | P75-P77 WeakPolarHBondContact O-CD 3.42Å; P77-N79 VanDerWaalsContact C-N 3.28Å; P77-N79 PolarHBondContact O-N 2.85Å | ||
| 78 | A | 48.6 | Very low | 57.8 | Low | 88 Ų | 88 | 131.2 Ų | 131.2 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | trans | -66.9 | 88.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | K76 H80 | K76-A78 PolarHBondContact O-N 2.86Å; A78-H80 HydrophobicContact CB-CB 4.44Å; A78-H80 PolarHBondContact O-N 3.47Å | ||
| 79 | N | 51.3 | Low | 56.6 | Low | 145 Ų | 145 | 133.8 Ų | 133.8 | 78% | 0.775 | 72% | 0.717 | S | S | * | * | trans | -77.6 | 60.2 | 159.8 | -163 | -35.8 | 0 | 0 | 0 | 108.7 | P77 | P77-N79 VanDerWaalsContact C-N 3.28Å; P77-N79 PolarHBondContact O-N 2.85Å | ||
| 80 | H | 49.3 | Very low | 55.5 | Low | 179 Ų | 179 | 138.5 Ų | 138.5 | 83% | 0.829 | 74% | 0.738 | S | S | * | * | trans | -104.3 | 43.4 | 179.6 | -126.8 | -67.4 | 0 | 0 | 0 | 110.4 | A78 | A78-H80 HydrophobicContact CB-CB 4.44Å; A78-H80 PolarHBondContact O-N 3.47Å | ||
| 81 | R | 51.8 | Low | 54.3 | Low | 243 Ų | 243 | 146.8 Ų | 146.8 | 92% | 0.917 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -137.8 | 36.9 | -179.4 | -101.1 | -126.4 | -171.4 | -163.5 | 3.5 | 114.5 | ||
| 82 | A | 48.4 | Very low | 53.3 | Low | 97 Ų | 97 | 145.7 Ų | 145.7 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -147.3 | 36.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 83 | G | 48.3 | Very low | 52.1 | Low | 76 Ų | 76 | 143.1 Ų | 143.1 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -145.2 | 10.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 84 | L | 48.2 | Very low | 51.2 | Low | 163 Ų | 163 | 144 Ų | 144 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -147 | 71.2 | 179.6 | -163.8 | 75.4 | 0 | 0 | 0 | 111.3 | ||||
| 85 | L | 48 | Very low | 50.3 | Low | 182 Ų | 182 | 153.4 Ų | 153.4 | 95% | 0.953 | 85% | 0.854 | S | S | * | * | trans | -141.5 | 82.1 | 152.8 | -76.7 | 177.4 | 0 | 0 | 0 | 106.2 | ||||
| 86 | I | 48.3 | Very low | 49.8 | Very low | 240 Ų | 240 | 156.1 Ų | 156.1 | 100% | 1.231 | 86% | 0.858 | S | S | * | * | trans | -100.3 | 0 | 150.4 | -64.9 | 171.5 | 0 | 0 | 0 | 105.1 |
Retrieved 86 of 86 residues in 174.4 ms
(Link to these results)