| 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 | 38.3 | Very low | 46 | Very low | 244 Ų | 244 | 115 Ų | 115 | 100% | 1.202 | 76% | 0.76 | S | S | * | * | 0 | 111.1 | 0 | -152.9 | 71.7 | 167.8 | 0 | 0 | 106.4 | |||||
| 2 | G | 42.6 | Very low | 46.1 | Very low | 65 Ų | 65 | 117 Ų | 117 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | trans | -68.8 | 149.1 | -159.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A4 | G2-A4 PolarHBondContact O-N 2.72Š| ||
| 3 | P | 43.2 | Very low | 46.2 | Very low | 146 Ų | 146 | 124.5 Ų | 124.5 | 95% | 0.948 | 76% | 0.762 | S | S | * | * | trans | -73.9 | 95 | 173.1 | 30.2 | -31.4 | 0 | 0 | 0 | 108.9 | ||||
| 4 | A | 45.5 | Very low | 46.4 | Very low | 93 Ų | 93 | 121.6 Ų | 121.6 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -103.2 | 133.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | G2 | G2-A4 PolarHBondContact O-N 2.72Š| ||
| 5 | D | 41.5 | Very low | 46.7 | Very low | 145 Ų | 145 | 121 Ų | 121 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | trans | 91.3 | 77.3 | 166.7 | -128.5 | -89.6 | 0 | 0 | 0 | 118.2 | ||||
| 6 | A | 42.4 | Very low | 46.8 | Very low | 88 Ų | 88 | 115.8 Ų | 115.8 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | -93.7 | 154.7 | 139.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 7 | P | 46.1 | Very low | 47 | Very low | 99 Ų | 99 | 115.6 Ų | 115.6 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | cis | -144.4 | 80.5 | -8.9 | 35.6 | -11.5 | 0 | 0 | 0 | 112.5 | ||||
| 8 | S | 55.1 | Low | 47 | Very low | 88 Ų | 88 | 114.2 Ų | 114.2 | 62% | 0.615 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -88.2 | -22.3 | -177 | -60.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 9 | A | 53.4 | Low | 47.2 | Very low | 80 Ų | 80 | 111.3 Ų | 111.3 | 66% | 0.661 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -80.7 | -28 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 10 | L | 48.9 | Very low | 47.4 | Very low | 146 Ų | 146 | 110.5 Ų | 110.5 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -84 | -31 | -177.3 | -74.7 | 176.8 | 0 | 0 | 0 | 113.2 | L12 A14 | L10-L12 PolarHBondContact O-N 3.45Å; L10-A14 PolarHBondContact O-N 2.83Å |
| 11 | A | 49.6 | Very low | 47.6 | Very low | 71 Ų | 71 | 108.6 Ų | 108.6 | 59% | 0.587 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -68.5 | -34.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R13 A14 | A11-R13 PolarHBondContact O-N 3.47Å; A11-A14 PolarHBondContact O-N 3.37Å |
| 12 | L | 46.6 | Very low | 48.4 | Very low | 139 Ų | 139 | 102 Ų | 102 | 73% | 0.728 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -78.8 | -15.7 | -178 | -114.1 | 118.5 | 0 | 0 | 0 | 114.4 | L10 V15 | L10-L12 PolarHBondContact O-N 3.45Å; L12-V15 WeakPolarHBondContact O-CG1 3.35Å |
| 13 | R | 48 | Very low | 48.8 | Very low | 215 Ų | 215 | 100.5 Ų | 100.5 | 81% | 0.811 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -87.9 | -16.4 | 171.4 | -66.6 | -104.5 | -166.5 | 168.2 | 4.3 | 112.2 | A11 | A11-R13 PolarHBondContact O-N 3.47Å |
| 14 | A | 48.6 | Very low | 49.6 | Very low | 83 Ų | 83 | 95.1 Ų | 95.1 | 69% | 0.686 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -81.8 | -17.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | L10 A11 G16 | L10-A14 PolarHBondContact O-N 2.83Å; A11-A14 PolarHBondContact O-N 3.37Å; A14-G16 PolarHBondContact O-N 3.41Å |
| 15 | V | 51.5 | Low | 50.4 | Low | 113 Ų | 113 | 96.3 Ų | 96.3 | 69% | 0.685 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -75.5 | 75.4 | 161.3 | 68.6 | 0 | 0 | 0 | 0 | 108 | L12 | L12-V15 WeakPolarHBondContact O-CG1 3.35Š|
| 16 | G | 48.4 | Very low | 51.4 | Low | 37 Ų | 37 | 94.6 Ų | 94.6 | 38% | 0.381 | 61% | 0.611 | S | S | . | * | trans | -47.3 | 137.2 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113 | A14 A18 | A14-G16 PolarHBondContact O-N 3.41Å; G16-A18 PolarHBondContact O-N 3.33Å | ||
| 17 | P | 49.2 | Very low | 52.4 | Low | 113 Ų | 113 | 90.7 Ų | 90.7 | 73% | 0.734 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -60.9 | 1.5 | 151.7 | -8.3 | 22.3 | 0 | 0 | 0 | 112 | A19 A20 | P17-A19 PolarHBondContact O-N 3.09Å; P17-A19 VanDerWaalsContact O-N 3.11Å; P17-A20 VanDerWaalsContact O-CB 3.25Å; P17-A20 WeakPolarHBondContact O-CB 3.35Å; P17-A20 PolarHBondContact O-N 2.71Å |
| 18 | A | 47.4 | Very low | 53.5 | Low | 91 Ų | 91 | 94 Ų | 94 | 75% | 0.752 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -63.8 | -9.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G16 A20 | G16-A18 PolarHBondContact O-N 3.33Å; A18-A20 VanDerWaalsContact C-N 3.27Å |
| 19 | A | 51.2 | Low | 54.2 | Low | 58 Ų | 58 | 91.5 Ų | 91.5 | 48% | 0.479 | 57% | 0.571 | S | S | . | * | G | 310 helix | trans | -89 | 16.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | P17 T21 | P17-A19 PolarHBondContact O-N 3.09Å; P17-A19 VanDerWaalsContact O-N 3.11Å; A19-T21 PolarHBondContact O-N 3.37Å |
| 20 | A | 50.5 | Low | 55 | Low | 95 Ų | 95 | 90 Ų | 90 | 79% | 0.785 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 9.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P17 A18 | P17-A20 VanDerWaalsContact O-CB 3.25Å; P17-A20 WeakPolarHBondContact O-CB 3.35Å; P17-A20 PolarHBondContact O-N 2.71Å; A18-A20 VanDerWaalsContact C-N 3.27Å |
| 21 | T | 52 | Low | 56.1 | Low | 71 Ų | 71 | 84.1 Ų | 84.1 | 44% | 0.436 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 152.4 | 158.5 | -162.7 | 0 | 0 | 0 | 0 | 109.3 | A19 Y23 G24 | A19-T21 PolarHBondContact O-N 3.37Å; T21-Y23 HydrophobicContact CG2-CG 4.47Å; T21-Y23 CarbonylContact O-C 3.18Å; T21-Y23 PolarHBondContact O-N 3.22Å; T21-G24 PolarHBondContact O-N 3Å |
| 22 | P | 54.7 | Low | 57.4 | Low | 105 Ų | 105 | 90.3 Ų | 90.3 | 68% | 0.682 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -45.1 | -17.6 | 174.7 | 15.6 | -34.2 | 0 | 0 | 0 | 114.7 | G24 V25 F26 | P22-G24 PolarHBondContact O-N 3.48Å; P22-V25 PolarHBondContact O-N 2.82Å; P22-F26 VanDerWaalsContact O-CB 3.23Å; P22-F26 WeakPolarHBondContact O-CB 3.49Å; P22-F26 PolarHBondContact O-N 3.24Å |
| 23 | Y | 51.9 | Low | 58.9 | Low | 34 Ų | 34 | 88.2 Ų | 88.2 | 13% | 0.133 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -57.1 | -37.9 | 167.7 | -166.3 | -113.3 | 0 | 0 | 0 | 114.8 | T21 V25 F26 C27 F66 S67 G68 | T21-Y23 HydrophobicContact CG2-CG 4.47Å; T21-Y23 CarbonylContact O-C 3.18Å; T21-Y23 PolarHBondContact O-N 3.22Å; Y23-V25 VanDerWaalsContact C-N 3.34Å; Y23-V25 PolarHBondContact O-N 3.36Å; Y23-F26 HydrophobicContact CD2-CD1 4.44Å; Y23-F26 PolarHBondContact O-N 3.37Å; Y23-C27 WeakPolarHBondContact CE1-SG 3.34Å; Y23-C27 WeakPolarHBondContact CE2-SG 3.14Å; Y23-C27 WeakPolarHBondContact O-CA 3.38Å; Y23-C27 WeakPolarHBondContact O-CB 3.44Å; Y23-C27 PolarHBondContact O-N 3.4Å; Y23-C27 PolarHBondContact OH-SG 3.36Å; Y23-F66 AromaticContact CD2-CD1 3.26Å; Y23-F66 HydrophobicContact CD2-CD1 3.26Å; Y23-F66 AromaticContact CD2-CE1 3.12Å; Y23-F66 HydrophobicContact CD2-CE1 3.12Å; Y23-F66 HydrophobicContact CD2-CG 4.45Å; Y23-F66 HydrophobicContact CD2-CZ 4.26Å; Y23-F66 HydrophobicContact CE2-CB 4.36Å; Y23-F66 AromaticContact CE2-CD1 2.99Å; Y23-F66 HydrophobicContact CE2-CD1 2.99Å; Y23-F66 AromaticContact CE2-CE1 3.45Å; Y23-F66 HydrophobicContact CE2-CE1 3.45Å; Y23-F66 VanDerWaalsContact CE2-CE1 3.45Å; Y23-F66 AromaticContact CE2-CG 3.94Å; Y23-F66 HydrophobicContact CE2-CG 3.94Å; Y23-F66 WeakPolarHBondContact CE2-O 3.34Å; Y23-F66 HydrophobicContact CG-CD1 4.29Å; Y23-F66 HydrophobicContact CG-CE1 4.05Å; Y23-F66 AromaticContact CZ-CD1 3.88Å; Y23-F66 PolarHBondContact OH-O 3.4Å; Y23-S67 VanDerWaalsContact OH-C 3.28Å; Y23-S67 PolarHBondContact OH-O 2.71Å; Y23-G68 WeakPolarHBondContact OH-CA 3.45Å; Y23-G68 PolarHBondContact OH-N 3.16Å; Y23-G68 VanDerWaalsContact OH-N 3.16Å |
| 24 | G | 58.6 | Low | 60.1 | Low | 34 Ų | 34 | 78.6 Ų | 78.6 | 35% | 0.351 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | T21 P22 K28 | T21-G24 PolarHBondContact O-N 3Å; P22-G24 PolarHBondContact O-N 3.48Å; G24-K28 VanDerWaalsContact O-CB 3.29Å; G24-K28 WeakPolarHBondContact O-CB 3.22Å; G24-K28 PolarHBondContact O-N 2.93Å |
| 25 | V | 62.8 | Low | 61.4 | Low | 117 Ų | 117 | 77 Ų | 77 | 71% | 0.709 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -70 | -44 | 175.6 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | P22 Y23 K28 G29 | P22-V25 PolarHBondContact O-N 2.82Å; Y23-V25 VanDerWaalsContact C-N 3.34Å; Y23-V25 PolarHBondContact O-N 3.36Å; V25-K28 PolarHBondContact O-N 3.29Å; V25-G29 PolarHBondContact O-N 2.86Å |
| 26 | F | 61.6 | Low | 62.8 | Low | 109 Ų | 109 | 74.1 Ų | 74.1 | 48% | 0.478 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 177.1 | -172.8 | -104.4 | 0 | 0 | 0 | 111.5 | P22 Y23 K28 G29 L30 | P22-F26 VanDerWaalsContact O-CB 3.23Å; P22-F26 WeakPolarHBondContact O-CB 3.49Å; P22-F26 PolarHBondContact O-N 3.24Å; Y23-F26 HydrophobicContact CD2-CD1 4.44Å; Y23-F26 PolarHBondContact O-N 3.37Å; F26-K28 PolarHBondContact O-N 2.88Å; F26-G29 PolarHBondContact O-N 2.86Å; F26-L30 HydrophobicContact CD1-CD1 3.79Å; F26-L30 HydrophobicContact CD1-CG 3.97Å; F26-L30 HydrophobicContact CE1-CD1 3.15Å; F26-L30 HydrophobicContact CE1-CD2 4.38Å; F26-L30 HydrophobicContact CE1-CG 3.63Å; F26-L30 HydrophobicContact CE2-CD2 4.45Å; F26-L30 HydrophobicContact CE2-CG 4.32Å; F26-L30 HydrophobicContact CG-CG 4.48Å; F26-L30 HydrophobicContact CZ-CD1 3.61Å; F26-L30 HydrophobicContact CZ-CD2 4.07Å; F26-L30 HydrophobicContact CZ-CG 3.81Å; F26-L30 WeakPolarHBondContact O-CB 3.46Å; F26-L30 WeakPolarHBondContact O-CG 3.24Å; F26-L30 PolarHBondContact O-N 2.84Å |
| 27 | C | 65.3 | Low | 64.1 | Low | 7 Ų | 7 | 76.4 Ų | 76.4 | 5% | 0.047 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 171.8 | -89.4 | 0 | 0 | 0 | 0 | 111.8 | Y23 G29 S31 | Y23-C27 WeakPolarHBondContact CE1-SG 3.34Å; Y23-C27 WeakPolarHBondContact CE2-SG 3.14Å; Y23-C27 WeakPolarHBondContact O-CA 3.38Å; Y23-C27 WeakPolarHBondContact O-CB 3.44Å; Y23-C27 PolarHBondContact O-N 3.4Å; Y23-C27 PolarHBondContact OH-SG 3.36Å; C27-G29 VanDerWaalsContact C-N 3.28Å; C27-G29 PolarHBondContact O-N 2.92Å; C27-S31 WeakPolarHBondContact O-CA 3.05Å; C27-S31 WeakPolarHBondContact O-CB 3.23Å; C27-S31 PolarHBondContact O-N 2.64Å; C27-S31 PolarHBondContact O-OG 3.47Å |
| 28 | K | 68.7 | Low | 65.3 | Low | 167 Ų | 167 | 71 Ų | 71 | 73% | 0.726 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.2 | -38.9 | 177.9 | -154 | 175.8 | -172.4 | 84 | 0 | 111 | G24 V25 F26 R32 | G24-K28 VanDerWaalsContact O-CB 3.29Å; G24-K28 WeakPolarHBondContact O-CB 3.22Å; G24-K28 PolarHBondContact O-N 2.93Å; V25-K28 PolarHBondContact O-N 3.29Å; F26-K28 PolarHBondContact O-N 2.88Å; K28-R32 WeakPolarHBondContact O-CB 3.14Å; K28-R32 PolarHBondContact O-N 2.95Å |
| 29 | G | 70.3 | Confident | 66.9 | Low | 37 Ų | 37 | 70.6 Ų | 70.6 | 38% | 0.381 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.6 | -55.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V25 F26 C27 S31 R32 T33 | V25-G29 PolarHBondContact O-N 2.86Å; F26-G29 PolarHBondContact O-N 2.86Å; C27-G29 VanDerWaalsContact C-N 3.28Å; C27-G29 PolarHBondContact O-N 2.92Å; G29-S31 PolarHBondContact O-N 3.37Å; G29-R32 WeakPolarHBondContact O-CB 3.23Å; G29-R32 PolarHBondContact O-N 3.42Å; G29-R32 VanDerWaalsContact O-N 3.15Å; G29-T33 PolarHBondContact O-N 3.37Å; G29-T33 PolarHBondContact O-OG1 3.34Å |
| 30 | L | 69.6 | Low | 68 | Low | 47 Ų | 47 | 73.2 Ų | 73.2 | 25% | 0.246 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -57.2 | -54.2 | 177.2 | -76.1 | -160.8 | 0 | 0 | 0 | 110.2 | F26 R32 T33 L34 L63 | F26-L30 HydrophobicContact CD1-CD1 3.79Å; F26-L30 HydrophobicContact CD1-CG 3.97Å; F26-L30 HydrophobicContact CE1-CD1 3.15Å; F26-L30 HydrophobicContact CE1-CD2 4.38Å; F26-L30 HydrophobicContact CE1-CG 3.63Å; F26-L30 HydrophobicContact CE2-CD2 4.45Å; F26-L30 HydrophobicContact CE2-CG 4.32Å; F26-L30 HydrophobicContact CG-CG 4.48Å; F26-L30 HydrophobicContact CZ-CD1 3.61Å; F26-L30 HydrophobicContact CZ-CD2 4.07Å; F26-L30 HydrophobicContact CZ-CG 3.81Å; F26-L30 WeakPolarHBondContact O-CB 3.46Å; F26-L30 WeakPolarHBondContact O-CG 3.24Å; F26-L30 PolarHBondContact O-N 2.84Å; L30-R32 PolarHBondContact O-N 2.97Å; L30-R32 VanDerWaalsContact O-N 3.07Å; L30-T33 CarbonylContact O-C 3.57Å; L30-T33 WeakPolarHBondContact O-CA 3.36Å; L30-T33 PolarHBondContact O-N 3.5Å; L30-L34 HydrophobicContact CB-CD1 4.48Å; L30-L34 WeakPolarHBondContact O-CB 3.3Å; L30-L34 WeakPolarHBondContact O-CG 2.9Å; L30-L34 PolarHBondContact O-N 3.25Å; L30-L63 HydrophobicContact CD1-CD1 4.41Å; L30-L63 HydrophobicContact CD1-CD2 4.09Å; L30-L63 HydrophobicContact CD1-CG 4.44Å |
| 31 | S | 71.6 | Confident | 69.2 | Low | 23 Ų | 23 | 68.8 Ų | 68.8 | 16% | 0.161 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -51.1 | -40.6 | 178.6 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | C27 G29 L34 L35 C71 | C27-S31 WeakPolarHBondContact O-CA 3.05Å; C27-S31 WeakPolarHBondContact O-CB 3.23Å; C27-S31 PolarHBondContact O-N 2.64Å; C27-S31 PolarHBondContact O-OG 3.47Å; G29-S31 PolarHBondContact O-N 3.37Å; S31-L34 PolarHBondContact O-N 3.43Å; S31-L35 VanDerWaalsContact O-CB 3.28Å; S31-L35 WeakPolarHBondContact O-CB 3.4Å; S31-L35 PolarHBondContact O-N 2.75Å; S31-C71 WeakPolarHBondContact OG-CB 3.48Å |
| 32 | R | 77.3 | Confident | 70 | Confident | 202 Ų | 202 | 66.8 Ų | 66.8 | 76% | 0.762 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -66.2 | -45.5 | 176.8 | -169.7 | 178.6 | -174 | -175.1 | 1.8 | 112.5 | K28 G29 L30 L35 A36 | K28-R32 WeakPolarHBondContact O-CB 3.14Å; K28-R32 PolarHBondContact O-N 2.95Å; G29-R32 WeakPolarHBondContact O-CB 3.23Å; G29-R32 PolarHBondContact O-N 3.42Å; G29-R32 VanDerWaalsContact O-N 3.15Å; L30-R32 PolarHBondContact O-N 2.97Å; L30-R32 VanDerWaalsContact O-N 3.07Å; R32-L35 PolarHBondContact O-N 2.93Å; R32-A36 WeakPolarHBondContact O-CB 3.31Å; R32-A36 PolarHBondContact O-N 3.49Å |
| 33 | T | 77.9 | Confident | 70.9 | Confident | 95 Ų | 95 | 68.1 Ų | 68.1 | 58% | 0.583 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 175.6 | -56 | 0 | 0 | 0 | 0 | 111.9 | G29 L30 A36 F37 | G29-T33 PolarHBondContact O-N 3.37Å; G29-T33 PolarHBondContact O-OG1 3.34Å; L30-T33 CarbonylContact O-C 3.57Å; L30-T33 WeakPolarHBondContact O-CA 3.36Å; L30-T33 PolarHBondContact O-N 3.5Å; T33-A36 PolarHBondContact O-N 3.42Å; T33-F37 WeakPolarHBondContact O-CB 3.21Å; T33-F37 PolarHBondContact O-N 2.87Å |
| 34 | L | 73.3 | Confident | 71.9 | Confident | 12 Ų | 12 | 70.4 Ų | 70.4 | 6% | 0.063 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.6 | -41.4 | 177.7 | -59.3 | 179.7 | 0 | 0 | 0 | 111.3 | L30 S31 A36 F37 F38 L59 L63 V72 | L30-L34 HydrophobicContact CB-CD1 4.48Å; L30-L34 WeakPolarHBondContact O-CB 3.3Å; L30-L34 WeakPolarHBondContact O-CG 2.9Å; L30-L34 PolarHBondContact O-N 3.25Å; S31-L34 PolarHBondContact O-N 3.43Å; L34-A36 VanDerWaalsContact C-N 3.34Å; L34-F37 PolarHBondContact O-N 3.42Å; L34-F38 HydrophobicContact CB-CD2 4.44Å; L34-F38 HydrophobicContact CB-CE2 4.45Å; L34-F38 WeakPolarHBondContact O-CB 3.36Å; L34-F38 WeakPolarHBondContact O-CD2 3.31Å; L34-F38 WeakPolarHBondContact O-CG 3.26Å; L34-F38 PolarHBondContact O-N 3.47Å; L34-L59 HydrophobicContact CD2-CB 4.34Å; L34-L59 HydrophobicContact CD2-CD1 3.35Å; L34-L59 HydrophobicContact CD2-CD2 3.14Å; L34-L59 HydrophobicContact CD2-CG 3.69Å; L34-L59 HydrophobicContact CG-CD1 4.34Å; L34-L59 HydrophobicContact CG-CD2 4.47Å; L34-L63 HydrophobicContact CD1-CD1 4.22Å; L34-V72 HydrophobicContact CD1-CG2 3.92Å |
| 35 | L | 75.4 | Confident | 72.2 | Confident | 51 Ų | 51 | 73.5 Ų | 73.5 | 27% | 0.267 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 174 | -121.3 | 141.4 | 0 | 0 | 0 | 111 | S31 R32 F38 E39 A75 L79 | S31-L35 VanDerWaalsContact O-CB 3.28Å; S31-L35 WeakPolarHBondContact O-CB 3.4Å; S31-L35 PolarHBondContact O-N 2.75Å; R32-L35 PolarHBondContact O-N 2.93Å; L35-F38 PolarHBondContact O-N 2.83Å; L35-E39 WeakPolarHBondContact O-CB 3.42Å; L35-E39 PolarHBondContact O-N 3.14Å; L35-A75 HydrophobicContact CD1-CB 3.95Å; L35-A75 HydrophobicContact CG-CB 4.23Å; L35-L79 HydrophobicContact CD2-CD1 3.63Å; L35-L79 HydrophobicContact CG-CD1 4.26Å |
| 36 | A | 81.2 | Confident | 72.4 | Confident | 51 Ų | 51 | 74.1 Ų | 74.1 | 42% | 0.421 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R32 T33 L34 E39 L40 | R32-A36 WeakPolarHBondContact O-CB 3.31Å; R32-A36 PolarHBondContact O-N 3.49Å; T33-A36 PolarHBondContact O-N 3.42Å; L34-A36 VanDerWaalsContact C-N 3.34Å; A36-E39 PolarHBondContact O-N 2.79Å; A36-L40 WeakPolarHBondContact O-CB 3.46Å; A36-L40 WeakPolarHBondContact O-CG 3.42Å; A36-L40 PolarHBondContact O-N 2.94Å |
| 37 | F | 76.3 | Confident | 72.9 | Confident | 85 Ų | 85 | 74.9 Ų | 74.9 | 37% | 0.373 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.9 | -38.9 | 175.2 | -167.3 | -92.6 | 0 | 0 | 0 | 111.8 | T33 L34 L40 A41 F51 | T33-F37 WeakPolarHBondContact O-CB 3.21Å; T33-F37 PolarHBondContact O-N 2.87Å; L34-F37 PolarHBondContact O-N 3.42Å; F37-L40 PolarHBondContact O-N 3.3Å; F37-A41 WeakPolarHBondContact O-CB 3.1Å; F37-A41 PolarHBondContact O-N 3.06Å; F37-F51 HydrophobicContact CE1-CD1 4.26Å; F37-F51 AromaticContact CE1-CE1 3.73Å; F37-F51 HydrophobicContact CE1-CE1 3.73Å; F37-F51 HydrophobicContact CE1-CZ 4.47Å; F37-F51 HydrophobicContact CE2-CE1 4.01Å; F37-F51 HydrophobicContact CE2-CZ 4.42Å; F37-F51 HydrophobicContact CZ-CD1 4.17Å; F37-F51 AromaticContact CZ-CE1 3.22Å; F37-F51 HydrophobicContact CZ-CE1 3.22Å; F37-F51 AromaticContact CZ-CZ 3.67Å; F37-F51 HydrophobicContact CZ-CZ 3.67Å |
| 38 | F | 74.8 | Confident | 73.3 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -69.5 | -39.7 | 175.2 | -80.6 | -51.5 | 0 | 0 | 0 | 112.4 | L34 L35 L40 A41 W42 Y52 L59 V72 L79 | L34-F38 HydrophobicContact CB-CD2 4.44Å; L34-F38 HydrophobicContact CB-CE2 4.45Å; L34-F38 WeakPolarHBondContact O-CB 3.36Å; L34-F38 WeakPolarHBondContact O-CD2 3.31Å; L34-F38 WeakPolarHBondContact O-CG 3.26Å; L34-F38 PolarHBondContact O-N 3.47Å; L35-F38 PolarHBondContact O-N 2.83Å; F38-L40 VanDerWaalsContact C-N 3.34Å; F38-A41 CarbonylContact O-C 3.57Å; F38-A41 PolarHBondContact O-N 2.74Å; F38-W42 VanDerWaalsContact O-CA 3.31Å; F38-W42 WeakPolarHBondContact O-CA 3.43Å; F38-W42 WeakPolarHBondContact O-CB 3.41Å; F38-W42 PolarHBondContact O-N 3.27Å; F38-Y52 HydrophobicContact CB-CE2 4.13Å; F38-Y52 AromaticContact CD1-CD2 3.54Å; F38-Y52 HydrophobicContact CD1-CD2 3.54Å; F38-Y52 AromaticContact CD1-CE2 3.21Å; F38-Y52 HydrophobicContact CD1-CE2 3.21Å; F38-Y52 HydrophobicContact CD1-CG 4.45Å; F38-Y52 AromaticContact CD1-CZ 3.9Å; F38-Y52 HydrophobicContact CE1-CD2 4.16Å; F38-Y52 AromaticContact CE1-CE2 3.83Å; F38-Y52 HydrophobicContact CE1-CE2 3.83Å; F38-Y52 AromaticContact CG-CE2 3.96Å; F38-Y52 HydrophobicContact CG-CE2 3.96Å; F38-L59 HydrophobicContact CE2-CD1 4.32Å; F38-L59 HydrophobicContact CZ-CD1 4.13Å; F38-V72 HydrophobicContact CE2-CG1 4.34Å; F38-V72 HydrophobicContact CZ-CG1 4.48Å; F38-L79 HydrophobicContact CB-CD1 4Å; F38-L79 HydrophobicContact CB-CD2 4.13Å |
| 39 | E | 79.1 | Confident | 73.3 | Confident | 83 Ų | 83 | 75.2 Ų | 75.2 | 39% | 0.388 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.3 | -46.5 | 171.9 | -90.9 | -66.3 | 121.4 | 0 | 0 | 110.8 | L35 A36 W42 Q43 L79 | L35-E39 WeakPolarHBondContact O-CB 3.42Å; L35-E39 PolarHBondContact O-N 3.14Å; A36-E39 PolarHBondContact O-N 2.79Å; E39-W42 WeakPolarHBondContact O-CB 3.15Å; E39-W42 PolarHBondContact O-N 3.49Å; E39-Q43 PolarHBondContact O-N 2.75Å; E39-L79 HydrophobicContact CG-CD1 4.25Å |
| 40 | L | 76.3 | Confident | 73.6 | Confident | 112 Ų | 112 | 82.2 Ų | 82.2 | 59% | 0.586 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.1 | -48 | 175 | -76.9 | 166.2 | 0 | 0 | 0 | 111.6 | A36 F37 F38 W42 Q43 L44 | A36-L40 WeakPolarHBondContact O-CB 3.46Å; A36-L40 WeakPolarHBondContact O-CG 3.42Å; A36-L40 PolarHBondContact O-N 2.94Å; F37-L40 PolarHBondContact O-N 3.3Å; F38-L40 VanDerWaalsContact C-N 3.34Å; L40-W42 PolarHBondContact O-N 2.74Å; L40-Q43 PolarHBondContact O-N 3.31Å; L40-L44 WeakPolarHBondContact O-CB 3.14Å; L40-L44 PolarHBondContact O-N 3.29Å |
| 41 | A | 74.3 | Confident | 73.9 | Confident | 3 Ų | 3 | 85 Ų | 85 | 3% | 0.025 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68.6 | -22.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F37 F38 L44 R45 F51 Y52 | F37-A41 WeakPolarHBondContact O-CB 3.1Å; F37-A41 PolarHBondContact O-N 3.06Å; F38-A41 CarbonylContact O-C 3.57Å; F38-A41 PolarHBondContact O-N 2.74Å; A41-L44 CarbonylContact O-C 3.47Å; A41-R45 WeakPolarHBondContact O-CA 3.09Å; A41-R45 VanDerWaalsContact O-CB 3.3Å; A41-R45 WeakPolarHBondContact O-CB 3.49Å; A41-R45 PolarHBondContact O-N 3.43Å; A41-F51 HydrophobicContact CB-CD1 4.18Å; A41-Y52 HydrophobicContact CB-CD2 4.22Å |
| 42 | W | 69.1 | Low | 74.1 | Confident | 28 Ų | 28 | 85.1 Ų | 85.1 | 11% | 0.106 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -76.9 | -47.8 | 176 | 172.8 | -92.4 | 0 | 0 | 0 | 110.4 | F38 E39 L40 L44 R45 M46 L79 L83 | F38-W42 VanDerWaalsContact O-CA 3.31Å; F38-W42 WeakPolarHBondContact O-CA 3.43Å; F38-W42 WeakPolarHBondContact O-CB 3.41Å; F38-W42 PolarHBondContact O-N 3.27Å; E39-W42 WeakPolarHBondContact O-CB 3.15Å; E39-W42 PolarHBondContact O-N 3.49Å; L40-W42 PolarHBondContact O-N 2.74Å; W42-L44 PolarHBondContact O-N 3.06Å; W42-R45 VanDerWaalsContact CH2-NH1 3.33Å; W42-R45 WeakPolarHBondContact O-CB 3.39Å; W42-R45 PolarHBondContact O-N 3.27Å; W42-M46 HydrophobicContact CH2-CE 4.41Å; W42-M46 HydrophobicContact CZ2-CE 3.66Å; W42-L79 HydrophobicContact CB-CD2 3.67Å; W42-L79 HydrophobicContact CD2-CD2 4.1Å; W42-L79 HydrophobicContact CE3-CD2 4.03Å; W42-L79 HydrophobicContact CG-CD2 3.89Å; W42-L83 HydrophobicContact CD2-CD1 4.22Å; W42-L83 HydrophobicContact CH2-CD1 3.93Å; W42-L83 HydrophobicContact CH2-CD2 3.06Å; W42-L83 HydrophobicContact CH2-CG 4.06Å; W42-L83 HydrophobicContact CZ2-CD1 3.08Å; W42-L83 HydrophobicContact CZ2-CD2 3.14Å; W42-L83 HydrophobicContact CZ2-CG 3.66Å; W42-L83 HydrophobicContact CZ3-CD2 3.97Å; W42-L83 VanDerWaalsContact NE1-CD1 3.25Å |
| 43 | Q | 74.7 | Confident | 74.1 | Confident | 133 Ų | 133 | 79.7 Ų | 79.7 | 62% | 0.621 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -56.2 | -41.7 | 167.2 | -75.5 | -178.7 | -15.3 | 0 | 0 | 110.5 | E39 L40 R45 | E39-Q43 PolarHBondContact O-N 2.75Å; L40-Q43 PolarHBondContact O-N 3.31Å; Q43-R45 VanDerWaalsContact C-N 3.33Å; Q43-R45 PolarHBondContact O-N 2.88Å |
| 44 | L | 72.4 | Confident | 74.2 | Confident | 82 Ų | 82 | 77.3 Ų | 77.3 | 43% | 0.429 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -71.1 | -25.1 | 175.4 | -142.1 | 77.9 | 0 | 0 | 0 | 112.7 | L40 A41 W42 M46 N47 F48 | L40-L44 WeakPolarHBondContact O-CB 3.14Å; L40-L44 PolarHBondContact O-N 3.29Å; A41-L44 CarbonylContact O-C 3.47Å; W42-L44 PolarHBondContact O-N 3.06Å; L44-M46 PolarHBondContact O-N 3.13Å; L44-N47 CarbonylContact O-C 3.55Å; L44-N47 WeakPolarHBondContact O-CA 3.33Å; L44-N47 WeakPolarHBondContact O-CB 3.44Å; L44-N47 PolarHBondContact O-N 2.85Å; L44-F48 PolarHBondContact O-N 3.44Å |
| 45 | R | 65.4 | Low | 74.4 | Confident | 99 Ų | 99 | 77.1 Ų | 77.1 | 37% | 0.374 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.3 | -33.4 | -177.2 | -177.4 | -178.7 | -168.8 | -136.8 | -1.3 | 111.4 | A41 W42 Q43 N47 P49 | A41-R45 WeakPolarHBondContact O-CA 3.09Å; A41-R45 VanDerWaalsContact O-CB 3.3Å; A41-R45 WeakPolarHBondContact O-CB 3.49Å; A41-R45 PolarHBondContact O-N 3.43Å; W42-R45 VanDerWaalsContact CH2-NH1 3.33Å; W42-R45 WeakPolarHBondContact O-CB 3.39Å; W42-R45 PolarHBondContact O-N 3.27Å; Q43-R45 VanDerWaalsContact C-N 3.33Å; Q43-R45 PolarHBondContact O-N 2.88Å; R45-N47 PolarHBondContact O-N 3.4Å; R45-P49 HydrophobicContact CG-CB 3.8Å; R45-P49 WeakPolarHBondContact O-CD 3.25Å |
| 46 | M | 65.6 | Low | 74.3 | Confident | 131 Ų | 131 | 76 Ų | 76 | 65% | 0.645 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -21.7 | 173.8 | -64.1 | -59.9 | 166.5 | 0 | 0 | 112.3 | W42 L44 | W42-M46 HydrophobicContact CH2-CE 4.41Å; W42-M46 HydrophobicContact CZ2-CE 3.66Å; L44-M46 PolarHBondContact O-N 3.13Å |
| 47 | N | 73.3 | Confident | 74.3 | Confident | 125 Ų | 125 | 77.3 Ų | 77.3 | 67% | 0.668 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | -46.4 | 171.8 | -94.5 | -96.4 | 0 | 0 | 0 | 113.2 | L44 R45 | L44-N47 CarbonylContact O-C 3.55Å; L44-N47 WeakPolarHBondContact O-CA 3.33Å; L44-N47 WeakPolarHBondContact O-CB 3.44Å; L44-N47 PolarHBondContact O-N 2.85Å; R45-N47 PolarHBondContact O-N 3.4Å |
| 48 | F | 72.4 | Confident | 74.5 | Confident | 129 Ų | 129 | 77.7 Ų | 77.7 | 57% | 0.566 | 38% | 0.384 | S | S | * | . | trans | -140.8 | 85.3 | -172.4 | -67.6 | -74.5 | 0 | 0 | 0 | 112 | L44 Y50 F51 | L44-F48 PolarHBondContact O-N 3.44Å; F48-Y50 PolarHBondContact O-N 3.02Å; F48-Y50 VanDerWaalsContact O-N 3.09Å; F48-F51 PolarHBondContact O-N 3.4Å | ||
| 49 | P | 68.6 | Low | 74.3 | Confident | 51 Ų | 51 | 79 Ų | 79 | 33% | 0.331 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.9 | -18.7 | -175.5 | 26.1 | -35.4 | 0 | 0 | 0 | 114.7 | R45 F51 Y52 I53 | R45-P49 HydrophobicContact CG-CB 3.8Å; R45-P49 WeakPolarHBondContact O-CD 3.25Å; P49-F51 VanDerWaalsContact C-N 3.32Å; P49-F51 PolarHBondContact O-N 2.9Å; P49-Y52 PolarHBondContact O-N 3.49Å; P49-I53 PolarHBondContact O-N 2.77Å |
| 50 | Y | 77.9 | Confident | 74.1 | Confident | 185 Ų | 185 | 77.4 Ų | 77.4 | 73% | 0.725 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.7 | -36.1 | 179.4 | -65.6 | -76.6 | 0 | 0 | 0 | 113.1 | F48 Y52 I53 A54 | F48-Y50 PolarHBondContact O-N 3.02Å; F48-Y50 VanDerWaalsContact O-N 3.09Å; Y50-Y52 VanDerWaalsContact C-N 3.35Å; Y50-Y52 PolarHBondContact O-N 3.33Å; Y50-I53 PolarHBondContact O-N 3.37Å; Y50-A54 WeakPolarHBondContact O-CB 3.28Å; Y50-A54 PolarHBondContact O-N 3.27Å |
| 51 | F | 74.9 | Confident | 74 | Confident | 106 Ų | 106 | 77.2 Ų | 77.2 | 47% | 0.465 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -69.2 | -36 | -176.5 | -160.2 | -102 | 0 | 0 | 0 | 111.9 | F37 A41 F48 P49 G55 | F37-F51 HydrophobicContact CE1-CD1 4.26Å; F37-F51 AromaticContact CE1-CE1 3.73Å; F37-F51 HydrophobicContact CE1-CE1 3.73Å; F37-F51 HydrophobicContact CE1-CZ 4.47Å; F37-F51 HydrophobicContact CE2-CE1 4.01Å; F37-F51 HydrophobicContact CE2-CZ 4.42Å; F37-F51 HydrophobicContact CZ-CD1 4.17Å; F37-F51 AromaticContact CZ-CE1 3.22Å; F37-F51 HydrophobicContact CZ-CE1 3.22Å; F37-F51 AromaticContact CZ-CZ 3.67Å; F37-F51 HydrophobicContact CZ-CZ 3.67Å; A41-F51 HydrophobicContact CB-CD1 4.18Å; F48-F51 PolarHBondContact O-N 3.4Å; P49-F51 VanDerWaalsContact C-N 3.32Å; P49-F51 PolarHBondContact O-N 2.9Å; F51-G55 PolarHBondContact O-N 2.89Å |
| 52 | Y | 75.7 | Confident | 73.9 | Confident | 25 Ų | 25 | 86.1 Ų | 86.1 | 10% | 0.098 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 173.8 | 176.7 | -90.1 | 0 | 0 | 0 | 111.8 | F38 A41 P49 Y50 G55 S56 S76 L79 | F38-Y52 HydrophobicContact CB-CE2 4.13Å; F38-Y52 AromaticContact CD1-CD2 3.54Å; F38-Y52 HydrophobicContact CD1-CD2 3.54Å; F38-Y52 AromaticContact CD1-CE2 3.21Å; F38-Y52 HydrophobicContact CD1-CE2 3.21Å; F38-Y52 HydrophobicContact CD1-CG 4.45Å; F38-Y52 AromaticContact CD1-CZ 3.9Å; F38-Y52 HydrophobicContact CE1-CD2 4.16Å; F38-Y52 AromaticContact CE1-CE2 3.83Å; F38-Y52 HydrophobicContact CE1-CE2 3.83Å; F38-Y52 AromaticContact CG-CE2 3.96Å; F38-Y52 HydrophobicContact CG-CE2 3.96Å; A41-Y52 HydrophobicContact CB-CD2 4.22Å; P49-Y52 PolarHBondContact O-N 3.49Å; Y50-Y52 VanDerWaalsContact C-N 3.35Å; Y50-Y52 PolarHBondContact O-N 3.33Å; Y52-G55 PolarHBondContact O-N 3.01Å; Y52-S56 PolarHBondContact O-N 3.2Å; Y52-S56 PolarHBondContact O-OG 2.85Å; Y52-S76 PolarHBondContact OH-OG 2.68Å; Y52-S76 VanDerWaalsContact OH-OG 3.06Å; Y52-L79 HydrophobicContact CE2-CD2 4.15Å |
| 53 | I | 76.9 | Confident | 73.6 | Confident | 88 Ų | 88 | 85.3 Ų | 85.3 | 45% | 0.451 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.9 | -45.7 | -179.6 | -60.8 | 168.6 | 0 | 0 | 0 | 110.2 | P49 Y50 G55 S56 V57 | P49-I53 PolarHBondContact O-N 2.77Å; Y50-I53 PolarHBondContact O-N 3.37Å; I53-G55 VanDerWaalsContact C-N 3.3Å; I53-G55 PolarHBondContact O-N 2.75Å; I53-S56 PolarHBondContact O-N 3.33Å; I53-S56 PolarHBondContact O-OG 3.35Å; I53-V57 HydrophobicContact CG2-CG2 4.33Å; I53-V57 WeakPolarHBondContact O-CB 3.2Å; I53-V57 VanDerWaalsContact O-CG2 3.23Å; I53-V57 WeakPolarHBondContact O-CG2 3.01Å; I53-V57 PolarHBondContact O-N 2.73Å |
| 54 | A | 80.9 | Confident | 73 | Confident | 45 Ų | 45 | 84.5 Ų | 84.5 | 37% | 0.372 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y50 V57 I58 | Y50-A54 WeakPolarHBondContact O-CB 3.28Å; Y50-A54 PolarHBondContact O-N 3.27Å; A54-V57 PolarHBondContact O-N 2.82Å; A54-I58 WeakPolarHBondContact O-CB 3.42Å; A54-I58 WeakPolarHBondContact O-CD1 3.48Å; A54-I58 WeakPolarHBondContact O-CG1 3.36Å; A54-I58 PolarHBondContact O-N 2.94Å |
| 55 | G | 76.9 | Confident | 72.3 | Confident | 7 Ų | 7 | 84.4 Ų | 84.4 | 7% | 0.072 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -56.2 | -54.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F51 Y52 I53 V57 I58 L59 | F51-G55 PolarHBondContact O-N 2.89Å; Y52-G55 PolarHBondContact O-N 3.01Å; I53-G55 VanDerWaalsContact C-N 3.3Å; I53-G55 PolarHBondContact O-N 2.75Å; G55-V57 VanDerWaalsContact C-N 3.32Å; G55-V57 PolarHBondContact O-N 2.7Å; G55-I58 PolarHBondContact O-N 3.07Å; G55-L59 VanDerWaalsContact O-CB 3.23Å; G55-L59 WeakPolarHBondContact O-CB 3.48Å; G55-L59 VanDerWaalsContact O-CD1 3.24Å; G55-L59 WeakPolarHBondContact O-CD1 3.2Å; G55-L59 WeakPolarHBondContact O-CG 3.37Å; G55-L59 PolarHBondContact O-N 2.97Å |
| 56 | S | 73.9 | Confident | 71.6 | Confident | 29 Ų | 29 | 85.7 Ų | 85.7 | 20% | 0.203 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.1 | -38.4 | -179.6 | 66.5 | 0 | 0 | 0 | 0 | 113 | Y52 I53 N60 | Y52-S56 PolarHBondContact O-N 3.2Å; Y52-S56 PolarHBondContact O-OG 2.85Å; I53-S56 PolarHBondContact O-N 3.33Å; I53-S56 PolarHBondContact O-OG 3.35Å; S56-N60 WeakPolarHBondContact O-CB 3.4Å; S56-N60 PolarHBondContact O-N 3.32Å |
| 57 | V | 81.5 | Confident | 71 | Confident | 78 Ų | 78 | 84.2 Ų | 84.2 | 47% | 0.473 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.9 | -50.3 | 177.4 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | I53 A54 G55 L59 N60 I61 | I53-V57 HydrophobicContact CG2-CG2 4.33Å; I53-V57 WeakPolarHBondContact O-CB 3.2Å; I53-V57 VanDerWaalsContact O-CG2 3.23Å; I53-V57 WeakPolarHBondContact O-CG2 3.01Å; I53-V57 PolarHBondContact O-N 2.73Å; A54-V57 PolarHBondContact O-N 2.82Å; G55-V57 VanDerWaalsContact C-N 3.32Å; G55-V57 PolarHBondContact O-N 2.7Å; V57-L59 VanDerWaalsContact C-N 3.25Å; V57-L59 PolarHBondContact O-N 3.5Å; V57-N60 WeakPolarHBondContact O-CB 3.44Å; V57-N60 PolarHBondContact O-N 2.95Å; V57-N60 VanDerWaalsContact O-N 3.14Å; V57-I61 HydrophobicContact CG1-CG1 4.29Å; V57-I61 VanDerWaalsContact O-CG1 3.26Å; V57-I61 WeakPolarHBondContact O-CG1 3.32Å; V57-I61 PolarHBondContact O-N 2.88Å |
| 58 | I | 79.6 | Confident | 70.2 | Confident | 92 Ų | 92 | 78.3 Ų | 78.3 | 47% | 0.472 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 179.6 | -67.4 | 162.7 | 0 | 0 | 0 | 110.5 | A54 G55 I61 R62 | A54-I58 WeakPolarHBondContact O-CB 3.42Å; A54-I58 WeakPolarHBondContact O-CD1 3.48Å; A54-I58 WeakPolarHBondContact O-CG1 3.36Å; A54-I58 PolarHBondContact O-N 2.94Å; G55-I58 PolarHBondContact O-N 3.07Å; I58-I61 PolarHBondContact O-N 3Å; I58-R62 WeakPolarHBondContact O-CB 3.25Å; I58-R62 VanDerWaalsContact O-CG 3.31Å; I58-R62 WeakPolarHBondContact O-CG 3.17Å; I58-R62 PolarHBondContact O-N 3.36Å |
| 59 | L | 71.9 | Confident | 69.6 | Low | 27 Ų | 27 | 75.1 Ų | 75.1 | 14% | 0.141 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -69.8 | -39.6 | 178 | -66 | 166.5 | 0 | 0 | 0 | 111.5 | L34 F38 G55 V57 R62 L63 | L34-L59 HydrophobicContact CD2-CB 4.34Å; L34-L59 HydrophobicContact CD2-CD1 3.35Å; L34-L59 HydrophobicContact CD2-CD2 3.14Å; L34-L59 HydrophobicContact CD2-CG 3.69Å; L34-L59 HydrophobicContact CG-CD1 4.34Å; L34-L59 HydrophobicContact CG-CD2 4.47Å; F38-L59 HydrophobicContact CE2-CD1 4.32Å; F38-L59 HydrophobicContact CZ-CD1 4.13Å; G55-L59 VanDerWaalsContact O-CB 3.23Å; G55-L59 WeakPolarHBondContact O-CB 3.48Å; G55-L59 VanDerWaalsContact O-CD1 3.24Å; G55-L59 WeakPolarHBondContact O-CD1 3.2Å; G55-L59 WeakPolarHBondContact O-CG 3.37Å; G55-L59 PolarHBondContact O-N 2.97Å; V57-L59 VanDerWaalsContact C-N 3.25Å; V57-L59 PolarHBondContact O-N 3.5Å; L59-R62 PolarHBondContact O-N 2.91Å; L59-L63 WeakPolarHBondContact O-CB 3.37Å; L59-L63 WeakPolarHBondContact O-CD1 3.28Å; L59-L63 PolarHBondContact O-N 3.49Å |
| 60 | N | 73.1 | Confident | 69.3 | Low | 51 Ų | 51 | 77.3 Ų | 77.3 | 27% | 0.273 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.8 | -49.2 | 172.9 | -170.8 | -96.1 | 0 | 0 | 0 | 110.5 | S56 V57 R62 L63 Q64 N69 | S56-N60 WeakPolarHBondContact O-CB 3.4Å; S56-N60 PolarHBondContact O-N 3.32Å; V57-N60 WeakPolarHBondContact O-CB 3.44Å; V57-N60 PolarHBondContact O-N 2.95Å; V57-N60 VanDerWaalsContact O-N 3.14Å; N60-R62 PolarHBondContact O-N 3.21Å; N60-L63 CarbonylContact O-C 3.44Å; N60-L63 PolarHBondContact O-N 3.47Å; N60-Q64 WeakPolarHBondContact O-CA 3.48Å; N60-Q64 WeakPolarHBondContact O-CB 3.42Å; N60-Q64 PolarHBondContact O-N 3.33Å; N60-Q64 PolarHBondContact OD1-NE2 2.99Å; N60-N69 PolarHBondContact ND2-OD1 2.86Å |
| 61 | I | 75.5 | Confident | 68.8 | Low | 108 Ų | 108 | 70.3 Ų | 70.3 | 55% | 0.554 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.4 | -43.8 | 178.9 | -63 | -60.3 | 0 | 0 | 0 | 111.6 | V57 I58 L63 | V57-I61 HydrophobicContact CG1-CG1 4.29Å; V57-I61 VanDerWaalsContact O-CG1 3.26Å; V57-I61 WeakPolarHBondContact O-CG1 3.32Å; V57-I61 PolarHBondContact O-N 2.88Å; I58-I61 PolarHBondContact O-N 3Å; I61-L63 PolarHBondContact O-N 3.39Å |
| 62 | R | 71.4 | Confident | 68.4 | Low | 190 Ų | 190 | 65.6 Ų | 65.6 | 72% | 0.717 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.4 | -37.5 | 178.1 | -74.9 | -179.3 | -178.1 | -82 | 1.2 | 112.8 | I58 L59 N60 | I58-R62 WeakPolarHBondContact O-CB 3.25Å; I58-R62 VanDerWaalsContact O-CG 3.31Å; I58-R62 WeakPolarHBondContact O-CG 3.17Å; I58-R62 PolarHBondContact O-N 3.36Å; L59-R62 PolarHBondContact O-N 2.91Å; N60-R62 PolarHBondContact O-N 3.21Å |
| 63 | L | 62.8 | Low | 68 | Low | 11 Ų | 11 | 71.5 Ų | 71.5 | 6% | 0.058 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -92.5 | -10.7 | -179.1 | -78.3 | 95.5 | 0 | 0 | 0 | 114.2 | L30 L34 L59 N60 I61 G65 F66 S67 G68 V72 | L30-L63 HydrophobicContact CD1-CD1 4.41Å; L30-L63 HydrophobicContact CD1-CD2 4.09Å; L30-L63 HydrophobicContact CD1-CG 4.44Å; L34-L63 HydrophobicContact CD1-CD1 4.22Å; L59-L63 WeakPolarHBondContact O-CB 3.37Å; L59-L63 WeakPolarHBondContact O-CD1 3.28Å; L59-L63 PolarHBondContact O-N 3.49Å; N60-L63 CarbonylContact O-C 3.44Å; N60-L63 PolarHBondContact O-N 3.47Å; I61-L63 PolarHBondContact O-N 3.39Å; L63-G65 VanDerWaalsContact C-N 3.27Å; L63-G65 PolarHBondContact O-N 3.15Å; L63-F66 CarbonylContact O-C 3.49Å; L63-F66 WeakPolarHBondContact O-CA 3.5Å; L63-F66 PolarHBondContact O-N 3.18Å; L63-S67 PolarHBondContact O-N 2.91Å; L63-G68 PolarHBondContact O-N 3.48Å; L63-V72 HydrophobicContact CB-CG2 4.27Å; L63-V72 HydrophobicContact CD1-CG2 4.18Å; L63-V72 HydrophobicContact CD2-CG2 3.92Å; L63-V72 HydrophobicContact CG-CG2 4.34Å |
| 64 | Q | 62.2 | Low | 67.7 | Low | 115 Ų | 115 | 73 Ų | 73 | 54% | 0.537 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.4 | -38.2 | 179.2 | -167.1 | 173.6 | 88 | 0 | 0 | 111.2 | N60 F66 | N60-Q64 WeakPolarHBondContact O-CA 3.48Å; N60-Q64 WeakPolarHBondContact O-CB 3.42Å; N60-Q64 PolarHBondContact O-N 3.33Å; N60-Q64 PolarHBondContact OD1-NE2 2.99Å; Q64-F66 PolarHBondContact O-N 2.82Å |
| 65 | G | 57.3 | Low | 67 | Low | 81 Ų | 81 | 71.1 Ų | 71.1 | 84% | 0.835 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -12.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L63 | L63-G65 VanDerWaalsContact C-N 3.27Å; L63-G65 PolarHBondContact O-N 3.15Å |
| 66 | F | 51 | Low | 66.6 | Low | 125 Ų | 125 | 72.2 Ų | 72.2 | 55% | 0.548 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.9 | 51.3 | -172.5 | -139.6 | -58.7 | 0 | 0 | 0 | 109.6 | Y23 L63 Q64 G68 | Y23-F66 AromaticContact CD2-CD1 3.26Å; Y23-F66 HydrophobicContact CD2-CD1 3.26Å; Y23-F66 AromaticContact CD2-CE1 3.12Å; Y23-F66 HydrophobicContact CD2-CE1 3.12Å; Y23-F66 HydrophobicContact CD2-CG 4.45Å; Y23-F66 HydrophobicContact CD2-CZ 4.26Å; Y23-F66 HydrophobicContact CE2-CB 4.36Å; Y23-F66 AromaticContact CE2-CD1 2.99Å; Y23-F66 HydrophobicContact CE2-CD1 2.99Å; Y23-F66 AromaticContact CE2-CE1 3.45Å; Y23-F66 HydrophobicContact CE2-CE1 3.45Å; Y23-F66 VanDerWaalsContact CE2-CE1 3.45Å; Y23-F66 AromaticContact CE2-CG 3.94Å; Y23-F66 HydrophobicContact CE2-CG 3.94Å; Y23-F66 WeakPolarHBondContact CE2-O 3.34Å; Y23-F66 HydrophobicContact CG-CD1 4.29Å; Y23-F66 HydrophobicContact CG-CE1 4.05Å; Y23-F66 AromaticContact CZ-CD1 3.88Å; Y23-F66 PolarHBondContact OH-O 3.4Å; L63-F66 CarbonylContact O-C 3.49Å; L63-F66 WeakPolarHBondContact O-CA 3.5Å; L63-F66 PolarHBondContact O-N 3.18Å; Q64-F66 PolarHBondContact O-N 2.82Å; F66-G68 WeakPolarHBondContact O-CA 3.42Å; F66-G68 PolarHBondContact O-N 2.49Å |
| 67 | S | 52.8 | Low | 66.2 | Low | 101 Ų | 101 | 72.5 Ų | 72.5 | 71% | 0.706 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.8 | 29.6 | 166.5 | -154.6 | 0 | 0 | 0 | 0 | 116.5 | Y23 L63 | Y23-S67 VanDerWaalsContact OH-C 3.28Å; Y23-S67 PolarHBondContact OH-O 2.71Å; L63-S67 PolarHBondContact O-N 2.91Å |
| 68 | G | 58 | Low | 65.5 | Low | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 40% | 0.399 | C | S | . | . | trans | -109.7 | -0.5 | -164.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y23 L63 F66 C70 C71 V72 | Y23-G68 WeakPolarHBondContact OH-CA 3.45Å; Y23-G68 PolarHBondContact OH-N 3.16Å; Y23-G68 VanDerWaalsContact OH-N 3.16Å; L63-G68 PolarHBondContact O-N 3.48Å; F66-G68 WeakPolarHBondContact O-CA 3.42Å; F66-G68 PolarHBondContact O-N 2.49Å; G68-C70 PolarHBondContact O-N 3.15Å; G68-C71 PolarHBondContact O-N 3.3Å; G68-V72 PolarHBondContact O-N 2.9Å | ||
| 69 | N | 59.8 | Low | 64.7 | Low | 62 Ų | 62 | 71.6 Ų | 71.6 | 33% | 0.332 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -52.3 | -38.3 | 174.7 | -67.6 | -55.2 | 0 | 0 | 0 | 110.8 | N60 C71 F73 | N60-N69 PolarHBondContact ND2-OD1 2.86Å; N69-C71 VanDerWaalsContact C-N 3.32Å; N69-C71 PolarHBondContact O-N 3.17Å; N69-F73 WeakPolarHBondContact O-CA 2.9Å; N69-F73 WeakPolarHBondContact O-CB 2.92Å; N69-F73 PolarHBondContact O-N 3.38Å |
| 70 | C | 62.5 | Low | 64.3 | Low | 98 Ų | 98 | 77 Ų | 77 | 66% | 0.662 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.1 | -43.3 | 176.6 | -156.3 | 0 | 0 | 0 | 0 | 111.4 | G68 Q74 | G68-C70 PolarHBondContact O-N 3.15Å; C70-Q74 WeakPolarHBondContact O-CA 3.5Å; C70-Q74 WeakPolarHBondContact O-CB 3.49Å; C70-Q74 PolarHBondContact O-N 3.18Å |
| 71 | C | 65.7 | Low | 64 | Low | 38 Ų | 38 | 81.1 Ų | 81.1 | 26% | 0.257 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -74.9 | -43.4 | -179.5 | -68.3 | 0 | 0 | 0 | 0 | 113.8 | S31 G68 N69 A75 | S31-C71 WeakPolarHBondContact OG-CB 3.48Å; G68-C71 PolarHBondContact O-N 3.3Å; N69-C71 VanDerWaalsContact C-N 3.32Å; N69-C71 PolarHBondContact O-N 3.17Å; C71-A75 VanDerWaalsContact O-CB 3.24Å; C71-A75 WeakPolarHBondContact O-CB 3.2Å; C71-A75 PolarHBondContact O-N 2.92Å |
| 72 | V | 67.9 | Low | 63.2 | Low | 6 Ų | 6 | 80.3 Ų | 80.3 | 4% | 0.036 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -68.9 | -43.6 | 179.7 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | L34 F38 L63 G68 A75 S76 | L34-V72 HydrophobicContact CD1-CG2 3.92Å; F38-V72 HydrophobicContact CE2-CG1 4.34Å; F38-V72 HydrophobicContact CZ-CG1 4.48Å; L63-V72 HydrophobicContact CB-CG2 4.27Å; L63-V72 HydrophobicContact CD1-CG2 4.18Å; L63-V72 HydrophobicContact CD2-CG2 3.92Å; L63-V72 HydrophobicContact CG-CG2 4.34Å; G68-V72 PolarHBondContact O-N 2.9Å; V72-A75 PolarHBondContact O-N 2.86Å; V72-S76 WeakPolarHBondContact O-CB 3.44Å; V72-S76 PolarHBondContact O-N 3.37Å |
| 73 | F | 65.8 | Low | 62.5 | Low | 150 Ų | 150 | 73 Ų | 73 | 66% | 0.658 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -66.9 | -44.6 | 176.5 | -159.5 | -97 | 0 | 0 | 0 | 110.4 | N69 A75 S76 S77 | N69-F73 WeakPolarHBondContact O-CA 2.9Å; N69-F73 WeakPolarHBondContact O-CB 2.92Å; N69-F73 PolarHBondContact O-N 3.38Å; F73-A75 VanDerWaalsContact C-N 3.3Å; F73-A75 PolarHBondContact O-N 3.49Å; F73-S76 PolarHBondContact O-N 2.84Å; F73-S77 WeakPolarHBondContact O-CB 3.24Å; F73-S77 PolarHBondContact O-N 3.28Å; F73-S77 PolarHBondContact O-OG 3.5Å |
| 74 | Q | 70.8 | Confident | 62 | Low | 120 Ų | 120 | 77.7 Ų | 77.7 | 56% | 0.561 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -58.5 | -40.6 | 173.9 | -174.7 | 74.3 | 25.7 | 0 | 0 | 112.1 | C70 R78 | C70-Q74 WeakPolarHBondContact O-CA 3.5Å; C70-Q74 WeakPolarHBondContact O-CB 3.49Å; C70-Q74 PolarHBondContact O-N 3.18Å; Q74-R78 VanDerWaalsContact O-CB 3.32Å; Q74-R78 WeakPolarHBondContact O-CB 3.03Å; Q74-R78 PolarHBondContact O-N 3.37Å |
| 75 | A | 67.6 | Low | 61.3 | Low | 5 Ų | 5 | 76.4 Ų | 76.4 | 4% | 0.041 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -65.8 | -45 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L35 C71 V72 F73 R78 L79 | L35-A75 HydrophobicContact CD1-CB 3.95Å; L35-A75 HydrophobicContact CG-CB 4.23Å; C71-A75 VanDerWaalsContact O-CB 3.24Å; C71-A75 WeakPolarHBondContact O-CB 3.2Å; C71-A75 PolarHBondContact O-N 2.92Å; V72-A75 PolarHBondContact O-N 2.86Å; F73-A75 VanDerWaalsContact C-N 3.3Å; F73-A75 PolarHBondContact O-N 3.49Å; A75-R78 PolarHBondContact O-N 2.9Å; A75-L79 PolarHBondContact O-N 2.6Å |
| 76 | S | 67.3 | Low | 61.1 | Low | 29 Ų | 29 | 76.6 Ų | 76.6 | 20% | 0.203 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 177 | -172 | 0 | 0 | 0 | 0 | 111.9 | Y52 V72 F73 R78 L79 M80 | Y52-S76 PolarHBondContact OH-OG 2.68Å; Y52-S76 VanDerWaalsContact OH-OG 3.06Å; V72-S76 WeakPolarHBondContact O-CB 3.44Å; V72-S76 PolarHBondContact O-N 3.37Å; F73-S76 PolarHBondContact O-N 2.84Å; S76-R78 VanDerWaalsContact C-N 3.35Å; S76-L79 PolarHBondContact O-N 3.44Å; S76-M80 PolarHBondContact O-N 2.89Å |
| 77 | S | 66.8 | Low | 61.3 | Low | 35 Ų | 35 | 79.9 Ų | 79.9 | 25% | 0.245 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 174.5 | -59.8 | 0 | 0 | 0 | 0 | 110.8 | F73 L79 M80 I81 | F73-S77 WeakPolarHBondContact O-CB 3.24Å; F73-S77 PolarHBondContact O-N 3.28Å; F73-S77 PolarHBondContact O-OG 3.5Å; S77-L79 VanDerWaalsContact C-N 3.34Å; S77-L79 PolarHBondContact O-N 2.73Å; S77-M80 PolarHBondContact O-N 2.88Å; S77-I81 WeakPolarHBondContact O-CB 3.23Å; S77-I81 VanDerWaalsContact O-CD1 3.25Å; S77-I81 WeakPolarHBondContact O-CD1 3.45Å; S77-I81 WeakPolarHBondContact O-CG1 3.11Å; S77-I81 PolarHBondContact O-N 3.11Å |
| 78 | R | 66.1 | Low | 61.2 | Low | 145 Ų | 145 | 82.7 Ų | 82.7 | 55% | 0.547 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 174.7 | -110.7 | -178.7 | 144 | -101.4 | -2.8 | 112.2 | Q74 A75 S76 M80 I81 S82 | Q74-R78 VanDerWaalsContact O-CB 3.32Å; Q74-R78 WeakPolarHBondContact O-CB 3.03Å; Q74-R78 PolarHBondContact O-N 3.37Å; A75-R78 PolarHBondContact O-N 2.9Å; S76-R78 VanDerWaalsContact C-N 3.35Å; R78-M80 VanDerWaalsContact C-N 3.31Å; R78-I81 PolarHBondContact O-N 3.01Å; R78-S82 WeakPolarHBondContact O-CB 3.32Å; R78-S82 PolarHBondContact O-N 3.46Å |
| 79 | L | 63.5 | Low | 60.8 | Low | 6 Ų | 6 | 96.3 Ų | 96.3 | 3% | 0.031 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 175.2 | -128.9 | 97.2 | 0 | 0 | 0 | 110.5 | L35 F38 E39 W42 Y52 A75 S76 S77 I81 S82 L83 | L35-L79 HydrophobicContact CD2-CD1 3.63Å; L35-L79 HydrophobicContact CG-CD1 4.26Å; F38-L79 HydrophobicContact CB-CD1 4Å; F38-L79 HydrophobicContact CB-CD2 4.13Å; E39-L79 HydrophobicContact CG-CD1 4.25Å; W42-L79 HydrophobicContact CB-CD2 3.67Å; W42-L79 HydrophobicContact CD2-CD2 4.1Å; W42-L79 HydrophobicContact CE3-CD2 4.03Å; W42-L79 HydrophobicContact CG-CD2 3.89Å; Y52-L79 HydrophobicContact CE2-CD2 4.15Å; A75-L79 PolarHBondContact O-N 2.6Å; S76-L79 PolarHBondContact O-N 3.44Å; S77-L79 VanDerWaalsContact C-N 3.34Å; S77-L79 PolarHBondContact O-N 2.73Å; L79-I81 VanDerWaalsContact C-N 3.31Å; L79-I81 PolarHBondContact O-N 2.84Å; L79-S82 PolarHBondContact O-N 3.04Å; L79-L83 VanDerWaalsContact O-CB 3.25Å; L79-L83 WeakPolarHBondContact O-CB 3.29Å; L79-L83 PolarHBondContact O-N 2.81Å |
| 80 | M | 62.4 | Low | 60.9 | Low | 141 Ų | 141 | 98.1 Ų | 98.1 | 70% | 0.695 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.4 | -29.8 | 179.8 | -136.9 | 170.3 | -173.4 | 0 | 0 | 113.3 | S76 S77 R78 | S76-M80 PolarHBondContact O-N 2.89Å; S77-M80 PolarHBondContact O-N 2.88Å; R78-M80 VanDerWaalsContact C-N 3.31Å |
| 81 | I | 66 | Low | 60.8 | Low | 138 Ų | 138 | 98.1 Ų | 98.1 | 71% | 0.708 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -85 | -38.9 | 177.2 | -63.2 | 155.5 | 0 | 0 | 0 | 111.8 | S77 R78 L79 L83 | S77-I81 WeakPolarHBondContact O-CB 3.23Å; S77-I81 VanDerWaalsContact O-CD1 3.25Å; S77-I81 WeakPolarHBondContact O-CD1 3.45Å; S77-I81 WeakPolarHBondContact O-CG1 3.11Å; S77-I81 PolarHBondContact O-N 3.11Å; R78-I81 PolarHBondContact O-N 3.01Å; L79-I81 VanDerWaalsContact C-N 3.31Å; L79-I81 PolarHBondContact O-N 2.84Å; I81-L83 PolarHBondContact O-N 3.48Å |
| 82 | S | 60.4 | Low | 60.5 | Low | 90 Ų | 90 | 101.4 Ų | 101.4 | 63% | 0.629 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.2 | -20.5 | 173.1 | -94.7 | 0 | 0 | 0 | 0 | 111.9 | R78 L79 P84 | R78-S82 WeakPolarHBondContact O-CB 3.32Å; R78-S82 PolarHBondContact O-N 3.46Å; L79-S82 PolarHBondContact O-N 3.04Å; S82-P84 WeakPolarHBondContact O-CD 3.25Å |
| 83 | L | 56.4 | Low | 60.1 | Low | 36 Ų | 36 | 107 Ų | 107 | 19% | 0.188 | 54% | 0.542 | C | S | . | . | S | Bend | trans | -72 | 115.3 | 170.9 | -162.8 | 76.2 | 0 | 0 | 0 | 109.6 | W42 L79 I81 S85 P86 | W42-L83 HydrophobicContact CD2-CD1 4.22Å; W42-L83 HydrophobicContact CH2-CD1 3.93Å; W42-L83 HydrophobicContact CH2-CD2 3.06Å; W42-L83 HydrophobicContact CH2-CG 4.06Å; W42-L83 HydrophobicContact CZ2-CD1 3.08Å; W42-L83 HydrophobicContact CZ2-CD2 3.14Å; W42-L83 HydrophobicContact CZ2-CG 3.66Å; W42-L83 HydrophobicContact CZ3-CD2 3.97Å; W42-L83 VanDerWaalsContact NE1-CD1 3.25Å; L79-L83 VanDerWaalsContact O-CB 3.25Å; L79-L83 WeakPolarHBondContact O-CB 3.29Å; L79-L83 PolarHBondContact O-N 2.81Å; I81-L83 PolarHBondContact O-N 3.48Å; L83-S85 PolarHBondContact O-N 3.31Å; L83-P86 HydrophobicContact CD2-CG 4.24Å |
| 84 | P | 51.8 | Low | 59.7 | Low | 111 Ų | 111 | 104.3 Ų | 104.3 | 72% | 0.721 | 54% | 0.535 | S | S | * | . | trans | -58.6 | 119.1 | 163.4 | 25.5 | -30.3 | 0 | 0 | 0 | 106.5 | S82 P86 | S82-P84 WeakPolarHBondContact O-CD 3.25Å; P84-P86 VanDerWaalsContact O-CD 3.28Å; P84-P86 WeakPolarHBondContact O-CD 3.46Å | ||
| 85 | S | 48.1 | Very low | 59 | Low | 88 Ų | 88 | 103.3 Ų | 103.3 | 62% | 0.615 | 53% | 0.533 | S | S | * | . | trans | -41.2 | 115.6 | 179.9 | -71.7 | 0 | 0 | 0 | 0 | 109.8 | L83 F87 D88 | L83-S85 PolarHBondContact O-N 3.31Å; S85-F87 PolarHBondContact O-N 3.47Å; S85-D88 PolarHBondContact O-N 3.06Å; S85-D88 VanDerWaalsContact O-N 3.13Å | ||
| 86 | P | 53.1 | Low | 58.3 | Low | 84 Ų | 84 | 110.3 Ų | 110.3 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.5 | 14.2 | 176.1 | 27.1 | -33.1 | 0 | 0 | 0 | 112.9 | L83 P84 | L83-P86 HydrophobicContact CD2-CG 4.24Å; P84-P86 VanDerWaalsContact O-CD 3.28Å; P84-P86 WeakPolarHBondContact O-CD 3.46Å |
| 87 | F | 53.9 | Low | 57.7 | Low | 195 Ų | 195 | 116.5 Ų | 116.5 | 86% | 0.855 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 5.1 | 171.9 | -73.2 | -73.8 | 0 | 0 | 0 | 113 | S85 Y89 | S85-F87 PolarHBondContact O-N 3.47Å; F87-Y89 VanDerWaalsContact C-N 3.25Å; F87-Y89 PolarHBondContact O-N 3.49Å |
| 88 | D | 51.1 | Low | 56.9 | Low | 159 Ų | 159 | 123.3 Ų | 123.3 | 85% | 0.85 | 63% | 0.626 | S | S | * | * | trans | -94 | 57.7 | 163.8 | -151.1 | -103.7 | 0 | 0 | 0 | 109.6 | S85 | S85-D88 PolarHBondContact O-N 3.06Å; S85-D88 VanDerWaalsContact O-N 3.13Å | ||
| 89 | Y | 49.9 | Very low | 56.1 | Low | 287 Ų | 287 | 121.4 Ų | 121.4 | 100% | 1.125 | 63% | 0.633 | S | S | * | * | trans | -140.3 | 0 | 162.4 | -165.7 | -89.2 | 0 | 0 | 0 | 109.4 | F87 | F87-Y89 VanDerWaalsContact C-N 3.25Å; F87-Y89 PolarHBondContact O-N 3.49Å |
Retrieved 89 of 89 residues in 53.3 ms
(Link to these results)