| 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 | 40.6 | Very low | 50.6 | Low | 245 Ų | 245 | 108.6 Ų | 108.6 | 100% | 1.207 | 72% | 0.718 | S | S | * | * | 0 | 94.3 | 0 | -157 | 79.2 | 151.5 | 0 | 0 | 107 | |||||
| 2 | G | 47.3 | Very low | 50.3 | Low | 72 Ų | 72 | 110.3 Ų | 110.3 | 74% | 0.742 | 71% | 0.714 | S | S | * | * | trans | -81.3 | -172.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 3 | P | 50.4 | Low | 50.1 | Low | 122 Ų | 122 | 118.2 Ų | 118.2 | 79% | 0.792 | 72% | 0.721 | S | S | * | * | cis | -124.7 | 143.8 | 5 | 34.7 | -17.4 | 0 | 0 | 0 | 113.3 | ||||
| 4 | A | 51.8 | Low | 50 | Low | 114 Ų | 114 | 115.4 Ų | 115.4 | 94% | 0.942 | 72% | 0.716 | S | S | * | * | trans | -108.4 | 65.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 5 | D | 53.3 | Low | 50.1 | Low | 142 Ų | 142 | 115.7 Ų | 115.7 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | trans | -137.6 | 79.4 | -179.1 | -149.5 | -53.6 | 0 | 0 | 0 | 109.3 | ||||
| 6 | A | 56.2 | Low | 50.2 | Low | 59 Ų | 59 | 110.9 Ų | 110.9 | 49% | 0.488 | 70% | 0.697 | S | S | . | * | trans | -164.8 | 52.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | S8 A9 | A6-S8 PolarHBondContact O-N 2.93Å; A6-A9 HydrophobicContact CB-CB 4.17Å | ||
| 7 | P | 52.1 | Low | 50.1 | Low | 104 Ų | 104 | 110.3 Ų | 110.3 | 68% | 0.675 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -63.8 | -23.3 | 158.3 | 28.7 | -31.9 | 0 | 0 | 0 | 111.6 | A11 | P7-A11 PolarHBondContact O-N 3.38Å |
| 8 | S | 53.9 | Low | 50 | Low | 87 Ų | 87 | 110.2 Ų | 110.2 | 61% | 0.608 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -68.2 | -32.5 | 179.6 | -71.3 | 0 | 0 | 0 | 0 | 114.7 | A6 L12 | A6-S8 PolarHBondContact O-N 2.93Å; S8-L12 PolarHBondContact O-N 3.37Å |
| 9 | A | 51.1 | Low | 50.1 | Low | 57 Ų | 57 | 109.1 Ų | 109.1 | 47% | 0.471 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -74.9 | -32.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A6 R13 | A6-A9 HydrophobicContact CB-CB 4.17Å; A9-R13 VanDerWaalsContact O-CG 3.23Å; A9-R13 WeakPolarHBondContact O-CG 3.46Å; A9-R13 PolarHBondContact O-N 3.02Å |
| 10 | L | 48.7 | Very low | 50.3 | Low | 128 Ų | 128 | 105.3 Ų | 105.3 | 67% | 0.67 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -79.8 | -35.6 | 179.3 | -156.2 | 153 | 0 | 0 | 0 | 111.2 | L12 R13 A14 | L10-L12 VanDerWaalsContact C-N 3.3Å; L10-L12 PolarHBondContact O-N 3.25Å; L10-R13 CarbonylContact O-C 3.58Å; L10-R13 PolarHBondContact O-N 3.44Å; L10-A14 WeakPolarHBondContact O-CB 3.46Å; L10-A14 PolarHBondContact O-N 3.29Å |
| 11 | A | 51.1 | Low | 50.7 | Low | 65 Ų | 65 | 106 Ų | 106 | 54% | 0.537 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -62.7 | -35 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P7 R13 V15 | P7-A11 PolarHBondContact O-N 3.38Å; A11-R13 VanDerWaalsContact C-N 3.3Å; A11-R13 PolarHBondContact O-N 2.75Å; A11-V15 PolarHBondContact O-N 3.14Å |
| 12 | L | 47.7 | Very low | 51.7 | Low | 129 Ų | 129 | 98.9 Ų | 98.9 | 68% | 0.675 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -73.9 | -15.6 | 172.4 | -98.7 | 143.5 | 0 | 0 | 0 | 114.2 | S8 L10 | S8-L12 PolarHBondContact O-N 3.37Å; L10-L12 VanDerWaalsContact C-N 3.3Å; L10-L12 PolarHBondContact O-N 3.25Å |
| 13 | R | 47.8 | Very low | 52.1 | Low | 213 Ų | 213 | 99.2 Ų | 99.2 | 80% | 0.804 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -99.1 | -26.4 | 176.4 | -72 | -81.7 | 152.2 | 175.6 | -6.6 | 112.6 | A9 L10 A11 V15 G16 | A9-R13 VanDerWaalsContact O-CG 3.23Å; A9-R13 WeakPolarHBondContact O-CG 3.46Å; A9-R13 PolarHBondContact O-N 3.02Å; L10-R13 CarbonylContact O-C 3.58Å; L10-R13 PolarHBondContact O-N 3.44Å; A11-R13 VanDerWaalsContact C-N 3.3Å; A11-R13 PolarHBondContact O-N 2.75Å; R13-V15 VanDerWaalsContact C-N 3.26Å; R13-G16 PolarHBondContact O-N 2.98Å |
| 14 | A | 47.8 | Very low | 52.8 | Low | 79 Ų | 79 | 94.8 Ų | 94.8 | 65% | 0.653 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.4 | -16.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L10 G16 | L10-A14 WeakPolarHBondContact O-CB 3.46Å; L10-A14 PolarHBondContact O-N 3.29Å; A14-G16 PolarHBondContact O-N 2.81Å |
| 15 | V | 52.1 | Low | 53.5 | Low | 119 Ų | 119 | 94.4 Ų | 94.4 | 72% | 0.721 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -78.8 | 42.5 | 162.5 | 91.8 | 0 | 0 | 0 | 0 | 110.6 | A11 R13 | A11-V15 PolarHBondContact O-N 3.14Å; R13-V15 VanDerWaalsContact C-N 3.26Å |
| 16 | G | 51.6 | Low | 54.3 | Low | 39 Ų | 39 | 93.1 Ų | 93.1 | 40% | 0.402 | 59% | 0.59 | S | S | . | * | trans | -79.5 | 152.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R13 A14 A18 | R13-G16 PolarHBondContact O-N 2.98Å; A14-G16 PolarHBondContact O-N 2.81Å; G16-A18 VanDerWaalsContact C-N 3.32Å; G16-A18 PolarHBondContact O-N 3.39Å | ||
| 17 | P | 49.1 | Very low | 55.1 | Low | 101 Ų | 101 | 91.8 Ų | 91.8 | 66% | 0.656 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -84.3 | 40.2 | -139 | 36.4 | -39.3 | 0 | 0 | 0 | 115.4 | A19 A20 | P17-A19 VanDerWaalsContact C-N 3.28Å; P17-A19 PolarHBondContact O-N 3.32Å; P17-A20 HydrophobicContact CB-CB 3.63Å; P17-A20 PolarHBondContact O-N 2.89Å; P17-A20 VanDerWaalsContact O-N 3.16Å |
| 18 | A | 46.8 | Very low | 56.1 | Low | 108 Ų | 108 | 94.8 Ų | 94.8 | 89% | 0.893 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -22.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G16 | G16-A18 VanDerWaalsContact C-N 3.32Å; G16-A18 PolarHBondContact O-N 3.39Å |
| 19 | A | 52.2 | Low | 57.4 | Low | 90 Ų | 90 | 92.3 Ų | 92.3 | 74% | 0.744 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | 5.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113 | P17 | P17-A19 VanDerWaalsContact C-N 3.28Å; P17-A19 PolarHBondContact O-N 3.32Å |
| 20 | A | 54.4 | Low | 58.7 | Low | 33 Ų | 33 | 91.7 Ų | 91.7 | 27% | 0.273 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -101.6 | 12.9 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115 | P17 G24 | P17-A20 HydrophobicContact CB-CB 3.63Å; P17-A20 PolarHBondContact O-N 2.89Å; P17-A20 VanDerWaalsContact O-N 3.16Å; A20-G24 PolarHBondContact O-N 3.36Å; A20-G24 VanDerWaalsContact O-N 3.16Å |
| 21 | T | 58.4 | Low | 60 | Low | 120 Ų | 120 | 88.3 Ų | 88.3 | 74% | 0.736 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.5 | -47.8 | 176.1 | -90.6 | 0 | 0 | 0 | 0 | 112.8 | V25 | T21-V25 VanDerWaalsContact O-CG2 3.26Å; T21-V25 WeakPolarHBondContact O-CG2 3.16Å |
| 22 | P | 61.3 | Low | 61.5 | Low | 96 Ų | 96 | 95 Ų | 95 | 62% | 0.623 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -93.1 | -34.8 | 174.7 | 32.2 | -29.3 | 0 | 0 | 0 | 112.2 | F26 | P22-F26 WeakPolarHBondContact O-CB 3.4Å; P22-F26 PolarHBondContact O-N 3.01Å |
| 23 | Y | 55.3 | Low | 63.1 | Low | 78 Ų | 78 | 93.3 Ų | 93.3 | 31% | 0.306 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -73.9 | -42.2 | -173.3 | 179.9 | -103.7 | 0 | 0 | 0 | 112.8 | F26 C27 L63 | Y23-F26 PolarHBondContact O-N 3.23Å; Y23-C27 WeakPolarHBondContact O-CB 3.22Å; Y23-C27 PolarHBondContact O-N 2.8Å; Y23-C27 PolarHBondContact OH-SG 3.47Å; Y23-L63 HydrophobicContact CE1-CD2 4.26Å; Y23-L63 HydrophobicContact CE2-CD1 3.3Å; Y23-L63 HydrophobicContact CE2-CD2 4.03Å; Y23-L63 HydrophobicContact CE2-CG 3.49Å; Y23-L63 VanDerWaalsContact CE2-CG 3.49Å; Y23-L63 VanDerWaalsContact CZ-CD2 3.46Å; Y23-L63 VanDerWaalsContact CZ-CG 3.5Å; Y23-L63 WeakPolarHBondContact OH-CD1 3.26Å; Y23-L63 WeakPolarHBondContact OH-CD2 3.31Å; Y23-L63 VanDerWaalsContact OH-CG 3.27Å; Y23-L63 WeakPolarHBondContact OH-CG 3.24Å |
| 24 | G | 66.1 | Low | 64.6 | Low | 30 Ų | 30 | 85.4 Ų | 85.4 | 31% | 0.309 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A20 K28 | A20-G24 PolarHBondContact O-N 3.36Å; A20-G24 VanDerWaalsContact O-N 3.16Å; G24-K28 WeakPolarHBondContact O-CB 3.42Å; G24-K28 PolarHBondContact O-N 3.48Å |
| 25 | V | 67.6 | Low | 66 | Low | 106 Ų | 106 | 87 Ų | 87 | 64% | 0.642 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.4 | -42.7 | 177.1 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | T21 G29 | T21-V25 VanDerWaalsContact O-CG2 3.26Å; T21-V25 WeakPolarHBondContact O-CG2 3.16Å; V25-G29 PolarHBondContact O-N 3.01Å |
| 26 | F | 69.4 | Low | 67.5 | Low | 115 Ų | 115 | 83.9 Ų | 83.9 | 50% | 0.504 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.9 | -49 | 174.9 | -179.5 | -116.2 | 0 | 0 | 0 | 111.9 | P22 Y23 K28 G29 L30 L59 | P22-F26 WeakPolarHBondContact O-CB 3.4Å; P22-F26 PolarHBondContact O-N 3.01Å; Y23-F26 PolarHBondContact O-N 3.23Å; F26-K28 VanDerWaalsContact C-N 3.35Å; F26-K28 PolarHBondContact O-N 3.45Å; F26-G29 PolarHBondContact O-N 2.91Å; F26-L30 HydrophobicContact CD1-CD1 3.52Å; F26-L30 HydrophobicContact CD1-CG 4.31Å; F26-L30 HydrophobicContact CD2-CD1 4.02Å; F26-L30 HydrophobicContact CD2-CG 4Å; F26-L30 HydrophobicContact CE1-CD1 3.12Å; F26-L30 HydrophobicContact CE1-CG 4.13Å; F26-L30 HydrophobicContact CE2-CD1 3.66Å; F26-L30 HydrophobicContact CE2-CD2 3.98Å; F26-L30 HydrophobicContact CE2-CG 3.78Å; F26-L30 HydrophobicContact CG-CD1 3.97Å; F26-L30 HydrophobicContact CG-CG 4.28Å; F26-L30 HydrophobicContact CZ-CD1 3.22Å; F26-L30 HydrophobicContact CZ-CD2 4.12Å; F26-L30 HydrophobicContact CZ-CG 3.87Å; F26-L30 VanDerWaalsContact O-CB 3.28Å; F26-L30 WeakPolarHBondContact O-CB 3.26Å; F26-L30 VanDerWaalsContact O-CG 3.26Å; F26-L30 WeakPolarHBondContact O-CG 3.26Å; F26-L30 PolarHBondContact O-N 3.29Å; F26-L59 HydrophobicContact CE1-CD1 3.84Å |
| 27 | C | 72.2 | Confident | 68.6 | Low | 30 Ų | 30 | 87.6 Ų | 87.6 | 20% | 0.203 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -63.2 | -42.6 | -179.3 | -154.7 | 0 | 0 | 0 | 0 | 110.9 | Y23 L30 S31 | Y23-C27 WeakPolarHBondContact O-CB 3.22Å; Y23-C27 PolarHBondContact O-N 2.8Å; Y23-C27 PolarHBondContact OH-SG 3.47Å; C27-L30 PolarHBondContact O-N 2.83Å; C27-S31 WeakPolarHBondContact O-CB 3.35Å; C27-S31 PolarHBondContact O-N 3.4Å; C27-S31 PolarHBondContact O-OG 3.17Å |
| 28 | K | 74.2 | Confident | 69.5 | Low | 168 Ų | 168 | 84.1 Ų | 84.1 | 73% | 0.73 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.2 | -40.2 | 175.2 | -166.8 | 175.3 | -179.7 | 75.6 | 0 | 112.6 | G24 F26 R32 | G24-K28 WeakPolarHBondContact O-CB 3.42Å; G24-K28 PolarHBondContact O-N 3.48Å; F26-K28 VanDerWaalsContact C-N 3.35Å; F26-K28 PolarHBondContact O-N 3.45Å; K28-R32 WeakPolarHBondContact O-CB 3.31Å; K28-R32 PolarHBondContact O-N 3.36Å |
| 29 | G | 81.4 | Confident | 70.8 | Confident | 34 Ų | 34 | 84.1 Ų | 84.1 | 35% | 0.351 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.2 | -46.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V25 F26 R32 T33 | V25-G29 PolarHBondContact O-N 3.01Å; F26-G29 PolarHBondContact O-N 2.91Å; G29-R32 WeakPolarHBondContact O-CB 3.17Å; G29-R32 PolarHBondContact O-N 3.2Å; G29-T33 PolarHBondContact O-N 3.23Å; G29-T33 PolarHBondContact O-OG1 3.33Å; G29-T33 VanDerWaalsContact O-OG1 3.1Å |
| 30 | L | 77.6 | Confident | 71.8 | Confident | 45 Ų | 45 | 85.6 Ų | 85.6 | 24% | 0.236 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 177 | -76 | 178.2 | 0 | 0 | 0 | 112.9 | F26 C27 R32 T33 L34 L59 | F26-L30 HydrophobicContact CD1-CD1 3.52Å; F26-L30 HydrophobicContact CD1-CG 4.31Å; F26-L30 HydrophobicContact CD2-CD1 4.02Å; F26-L30 HydrophobicContact CD2-CG 4Å; F26-L30 HydrophobicContact CE1-CD1 3.12Å; F26-L30 HydrophobicContact CE1-CG 4.13Å; F26-L30 HydrophobicContact CE2-CD1 3.66Å; F26-L30 HydrophobicContact CE2-CD2 3.98Å; F26-L30 HydrophobicContact CE2-CG 3.78Å; F26-L30 HydrophobicContact CG-CD1 3.97Å; F26-L30 HydrophobicContact CG-CG 4.28Å; F26-L30 HydrophobicContact CZ-CD1 3.22Å; F26-L30 HydrophobicContact CZ-CD2 4.12Å; F26-L30 HydrophobicContact CZ-CG 3.87Å; F26-L30 VanDerWaalsContact O-CB 3.28Å; F26-L30 WeakPolarHBondContact O-CB 3.26Å; F26-L30 VanDerWaalsContact O-CG 3.26Å; F26-L30 WeakPolarHBondContact O-CG 3.26Å; F26-L30 PolarHBondContact O-N 3.29Å; C27-L30 PolarHBondContact O-N 2.83Å; L30-R32 PolarHBondContact O-N 2.93Å; L30-T33 PolarHBondContact O-N 3.25Å; L30-L34 VanDerWaalsContact O-CB 3.26Å; L30-L34 WeakPolarHBondContact O-CB 2.86Å; L30-L34 VanDerWaalsContact O-CG 3.27Å; L30-L34 WeakPolarHBondContact O-CG 2.77Å; L30-L34 PolarHBondContact O-N 2.9Å; L30-L59 HydrophobicContact CD1-CD1 3.2Å; L30-L59 HydrophobicContact CD1-CD2 4.14Å; L30-L59 HydrophobicContact CD1-CG 4.32Å |
| 31 | S | 76.3 | Confident | 72.6 | Confident | 57 Ų | 57 | 85.1 Ų | 85.1 | 40% | 0.399 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.3 | -41.9 | 175 | -60.9 | 0 | 0 | 0 | 0 | 110.4 | C27 L35 | C27-S31 WeakPolarHBondContact O-CB 3.35Å; C27-S31 PolarHBondContact O-N 3.4Å; C27-S31 PolarHBondContact O-OG 3.17Å; S31-L35 VanDerWaalsContact O-CB 3.26Å; S31-L35 WeakPolarHBondContact O-CB 2.99Å; S31-L35 VanDerWaalsContact O-CD1 3.31Å; S31-L35 WeakPolarHBondContact O-CD1 3.41Å; S31-L35 VanDerWaalsContact O-CG 3.26Å; S31-L35 WeakPolarHBondContact O-CG 3.46Å; S31-L35 PolarHBondContact O-N 3.5Å |
| 32 | R | 82.5 | Confident | 72.7 | Confident | 204 Ų | 204 | 86 Ų | 86 | 77% | 0.77 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.4 | -45 | 177.5 | -160.7 | -172.8 | -140.4 | -135 | 4.9 | 112.2 | K28 G29 L30 A36 | K28-R32 WeakPolarHBondContact O-CB 3.31Å; K28-R32 PolarHBondContact O-N 3.36Å; G29-R32 WeakPolarHBondContact O-CB 3.17Å; G29-R32 PolarHBondContact O-N 3.2Å; L30-R32 PolarHBondContact O-N 2.93Å; R32-A36 WeakPolarHBondContact O-CB 3.27Å; R32-A36 PolarHBondContact O-N 2.9Å |
| 33 | T | 82 | Confident | 73.1 | Confident | 94 Ų | 94 | 88.9 Ų | 88.9 | 58% | 0.577 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -66.6 | -43.5 | 177.7 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | G29 L30 A36 F37 | G29-T33 PolarHBondContact O-N 3.23Å; G29-T33 PolarHBondContact O-OG1 3.33Å; G29-T33 VanDerWaalsContact O-OG1 3.1Å; L30-T33 PolarHBondContact O-N 3.25Å; T33-A36 PolarHBondContact O-N 2.92Å; T33-F37 WeakPolarHBondContact O-CB 3.2Å; T33-F37 PolarHBondContact O-N 2.85Å |
| 34 | L | 78.3 | Confident | 74.1 | Confident | 47 Ų | 47 | 91.7 Ų | 91.7 | 25% | 0.246 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -61.5 | -48.2 | 176.7 | -75.6 | 166.3 | 0 | 0 | 0 | 110.5 | L30 A36 F37 F38 F51 | L30-L34 VanDerWaalsContact O-CB 3.26Å; L30-L34 WeakPolarHBondContact O-CB 2.86Å; L30-L34 VanDerWaalsContact O-CG 3.27Å; L30-L34 WeakPolarHBondContact O-CG 2.77Å; L30-L34 PolarHBondContact O-N 2.9Å; L34-A36 PolarHBondContact O-N 3.45Å; L34-F37 PolarHBondContact O-N 3.28Å; L34-F38 WeakPolarHBondContact O-CB 3.4Å; L34-F38 PolarHBondContact O-N 3.21Å; L34-F51 HydrophobicContact CD2-CE1 4.29Å |
| 35 | L | 78.1 | Confident | 73.9 | Confident | 114 Ų | 114 | 101.3 Ų | 101.3 | 60% | 0.597 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.2 | -43.4 | 176 | -80.3 | 159.2 | 0 | 0 | 0 | 112.4 | S31 F38 E39 | S31-L35 VanDerWaalsContact O-CB 3.26Å; S31-L35 WeakPolarHBondContact O-CB 2.99Å; S31-L35 VanDerWaalsContact O-CD1 3.31Å; S31-L35 WeakPolarHBondContact O-CD1 3.41Å; S31-L35 VanDerWaalsContact O-CG 3.26Å; S31-L35 WeakPolarHBondContact O-CG 3.46Å; S31-L35 PolarHBondContact O-N 3.5Å; L35-F38 WeakPolarHBondContact O-CB 3.25Å; L35-F38 PolarHBondContact O-N 2.85Å; L35-E39 PolarHBondContact O-N 2.77Å |
| 36 | A | 82.2 | Confident | 73.7 | Confident | 53 Ų | 53 | 103.2 Ų | 103.2 | 44% | 0.438 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.5 | -44.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R32 T33 L34 F38 E39 L40 | R32-A36 WeakPolarHBondContact O-CB 3.27Å; R32-A36 PolarHBondContact O-N 2.9Å; T33-A36 PolarHBondContact O-N 2.92Å; L34-A36 PolarHBondContact O-N 3.45Å; A36-F38 PolarHBondContact O-N 3.48Å; A36-E39 PolarHBondContact O-N 3Å; A36-L40 WeakPolarHBondContact O-CD1 3.26Å; A36-L40 PolarHBondContact O-N 3.49Å |
| 37 | F | 74.3 | Confident | 73.3 | Confident | 116 Ų | 116 | 104.8 Ų | 104.8 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.8 | -32.6 | 175.8 | -152.9 | -95.7 | 0 | 0 | 0 | 111.6 | T33 L34 L40 A41 F51 | T33-F37 WeakPolarHBondContact O-CB 3.2Å; T33-F37 PolarHBondContact O-N 2.85Å; L34-F37 PolarHBondContact O-N 3.28Å; F37-L40 PolarHBondContact O-N 3.1Å; F37-A41 WeakPolarHBondContact O-CB 3.35Å; F37-A41 PolarHBondContact O-N 3.43Å; F37-F51 HydrophobicContact CD1-CD1 4.22Å; F37-F51 AromaticContact CD1-CE1 3.56Å; F37-F51 HydrophobicContact CD1-CE1 3.56Å; F37-F51 AromaticContact CD1-CZ 3.83Å; F37-F51 HydrophobicContact CD1-CZ 3.83Å; F37-F51 HydrophobicContact CE1-CE1 4.02Å; F37-F51 HydrophobicContact CE1-CE2 4.36Å; F37-F51 AromaticContact CE1-CZ 3.79Å; F37-F51 HydrophobicContact CE1-CZ 3.79Å; F37-F51 HydrophobicContact CG-CE1 4.44Å |
| 38 | F | 69.3 | Low | 72.6 | Confident | 29 Ų | 29 | 106.9 Ų | 106.9 | 13% | 0.127 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -70.1 | -45.1 | 177 | -155.1 | -115.2 | 0 | 0 | 0 | 112.7 | L34 L35 A36 L40 A41 W42 F48 | L34-F38 WeakPolarHBondContact O-CB 3.4Å; L34-F38 PolarHBondContact O-N 3.21Å; L35-F38 WeakPolarHBondContact O-CB 3.25Å; L35-F38 PolarHBondContact O-N 2.85Å; A36-F38 PolarHBondContact O-N 3.48Å; F38-L40 VanDerWaalsContact C-N 3.29Å; F38-L40 PolarHBondContact O-N 2.89Å; F38-A41 CarbonylContact O-C 3.6Å; F38-A41 PolarHBondContact O-N 2.77Å; F38-W42 WeakPolarHBondContact O-CB 3.23Å; F38-W42 PolarHBondContact O-N 3.45Å; F38-F48 AromaticContact CD1-CD2 3.63Å; F38-F48 HydrophobicContact CD1-CD2 3.63Å; F38-F48 HydrophobicContact CD1-CE1 4.3Å; F38-F48 AromaticContact CD1-CE2 3.17Å; F38-F48 HydrophobicContact CD1-CE2 3.17Å; F38-F48 HydrophobicContact CD1-CG 4.4Å; F38-F48 AromaticContact CD1-CZ 3.59Å; F38-F48 HydrophobicContact CD1-CZ 3.59Å; F38-F48 AromaticContact CE1-CD1 3.61Å; F38-F48 HydrophobicContact CE1-CD1 3.61Å; F38-F48 AromaticContact CE1-CD2 3.19Å; F38-F48 HydrophobicContact CE1-CD2 3.19Å; F38-F48 AromaticContact CE1-CE1 3.44Å; F38-F48 HydrophobicContact CE1-CE1 3.44Å; F38-F48 VanDerWaalsContact CE1-CE1 3.44Å; F38-F48 AromaticContact CE1-CE2 3.03Å; F38-F48 HydrophobicContact CE1-CE2 3.03Å; F38-F48 AromaticContact CE1-CG 3.52Å; F38-F48 HydrophobicContact CE1-CG 3.52Å; F38-F48 AromaticContact CE1-CZ 3.19Å; F38-F48 HydrophobicContact CE1-CZ 3.19Å; F38-F48 HydrophobicContact CE2-CD2 4.23Å; F38-F48 HydrophobicContact CE2-CG 4.48Å; F38-F48 WeakPolarHBondContact CE2-O 3.15Å; F38-F48 HydrophobicContact CG-CD2 4.32Å; F38-F48 HydrophobicContact CG-CE2 4.15Å; F38-F48 HydrophobicContact CZ-CB 4.32Å; F38-F48 AromaticContact CZ-CD1 3.85Å; F38-F48 HydrophobicContact CZ-CD1 3.85Å; F38-F48 AromaticContact CZ-CD2 3.53Å; F38-F48 HydrophobicContact CZ-CD2 3.53Å; F38-F48 HydrophobicContact CZ-CE1 4.16Å; F38-F48 AromaticContact CZ-CE2 3.89Å; F38-F48 HydrophobicContact CZ-CE2 3.89Å; F38-F48 AromaticContact CZ-CG 3.56Å; F38-F48 HydrophobicContact CZ-CG 3.56Å; F38-F48 HydrophobicContact CZ-CZ 4.21Å; F38-F48 WeakPolarHBondContact CZ-O 3.45Å |
| 39 | E | 73.8 | Confident | 72.1 | Confident | 108 Ų | 108 | 102.6 Ų | 102.6 | 51% | 0.505 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.3 | -40.6 | 172 | -82.9 | -68.3 | 122.9 | 0 | 0 | 111.3 | L35 A36 Q43 | L35-E39 PolarHBondContact O-N 2.77Å; A36-E39 PolarHBondContact O-N 3Å; E39-Q43 WeakPolarHBondContact O-CG 3.26Å; E39-Q43 PolarHBondContact O-N 3.39Å |
| 40 | L | 73.8 | Confident | 71.3 | Confident | 121 Ų | 121 | 110.4 Ų | 110.4 | 63% | 0.634 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.2 | -43.6 | 173 | -94.7 | 73.9 | 0 | 0 | 0 | 112.2 | A36 F37 F38 W42 Q43 L44 | A36-L40 WeakPolarHBondContact O-CD1 3.26Å; A36-L40 PolarHBondContact O-N 3.49Å; F37-L40 PolarHBondContact O-N 3.1Å; F38-L40 VanDerWaalsContact C-N 3.29Å; F38-L40 PolarHBondContact O-N 2.89Å; L40-W42 VanDerWaalsContact C-N 3.33Å; L40-Q43 WeakPolarHBondContact O-CB 3.15Å; L40-Q43 PolarHBondContact O-N 3.23Å; L40-L44 WeakPolarHBondContact O-CB 3.25Å; L40-L44 PolarHBondContact O-N 2.96Å |
| 41 | A | 70.6 | Confident | 71 | Confident | 22 Ų | 22 | 113.3 Ų | 113.3 | 18% | 0.182 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -70.8 | -29 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F37 F38 L44 R45 M46 | F37-A41 WeakPolarHBondContact O-CB 3.35Å; F37-A41 PolarHBondContact O-N 3.43Å; F38-A41 CarbonylContact O-C 3.6Å; F38-A41 PolarHBondContact O-N 2.77Å; A41-L44 CarbonylContact O-C 3.39Å; A41-L44 PolarHBondContact O-N 3.47Å; A41-R45 PolarHBondContact O-N 3.48Å; A41-M46 PolarHBondContact O-N 3.09Å |
| 42 | W | 61.2 | Low | 70.8 | Confident | 138 Ų | 138 | 116.9 Ų | 116.9 | 52% | 0.523 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.2 | -46 | 171.4 | 176.3 | -107.1 | 0 | 0 | 0 | 111.3 | F38 L40 L44 R45 F48 | F38-W42 WeakPolarHBondContact O-CB 3.23Å; F38-W42 PolarHBondContact O-N 3.45Å; L40-W42 VanDerWaalsContact C-N 3.33Å; W42-L44 PolarHBondContact O-N 3Å; W42-R45 PolarHBondContact O-N 3.38Å; W42-R45 VanDerWaalsContact O-N 3.14Å; W42-F48 HydrophobicContact CB-CD2 3.84Å; W42-F48 HydrophobicContact CB-CE2 3.59Å; W42-F48 AromaticContact CD2-CD2 3.65Å; W42-F48 HydrophobicContact CD2-CD2 3.65Å; W42-F48 AromaticContact CD2-CE2 3.43Å; W42-F48 HydrophobicContact CD2-CE2 3.43Å; W42-F48 VanDerWaalsContact CD2-CE2 3.43Å; W42-F48 HydrophobicContact CD2-CG 4.35Å; W42-F48 HydrophobicContact CD2-CZ 4.01Å; W42-F48 HydrophobicContact CE3-CB 3.74Å; W42-F48 AromaticContact CE3-CD1 3.93Å; W42-F48 HydrophobicContact CE3-CD1 3.93Å; W42-F48 AromaticContact CE3-CD2 2.96Å; W42-F48 HydrophobicContact CE3-CD2 2.96Å; W42-F48 HydrophobicContact CE3-CE1 4.16Å; W42-F48 AromaticContact CE3-CE2 3.23Å; W42-F48 HydrophobicContact CE3-CE2 3.23Å; W42-F48 AromaticContact CE3-CG 3.32Å; W42-F48 HydrophobicContact CE3-CG 3.32Å; W42-F48 AromaticContact CE3-CZ 3.82Å; W42-F48 HydrophobicContact CE3-CZ 3.82Å; W42-F48 HydrophobicContact CG-CD2 4.06Å; W42-F48 AromaticContact CG-CE2 3.65Å; W42-F48 HydrophobicContact CG-CE2 3.65Å; W42-F48 HydrophobicContact CG-CZ 4.46Å; W42-F48 HydrophobicContact CH2-CD1 4.43Å; W42-F48 HydrophobicContact CH2-CE1 4.42Å; W42-F48 HydrophobicContact CZ3-CB 3.69Å; W42-F48 AromaticContact CZ3-CD1 3.64Å; W42-F48 HydrophobicContact CZ3-CD1 3.64Å; W42-F48 AromaticContact CZ3-CD2 3.6Å; W42-F48 HydrophobicContact CZ3-CD2 3.6Å; W42-F48 AromaticContact CZ3-CE1 3.96Å; W42-F48 HydrophobicContact CZ3-CE1 3.96Å; W42-F48 AromaticContact CZ3-CE2 3.89Å; W42-F48 HydrophobicContact CZ3-CE2 3.89Å; W42-F48 AromaticContact CZ3-CG 3.42Å; W42-F48 HydrophobicContact CZ3-CG 3.42Å; W42-F48 VanDerWaalsContact CZ3-CG 3.42Å; W42-F48 HydrophobicContact CZ3-CZ 4.05Å |
| 43 | Q | 69.1 | Low | 70.4 | Confident | 158 Ų | 158 | 111.8 Ų | 111.8 | 74% | 0.738 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.7 | -35.8 | 168.1 | -76 | -68.6 | -48.1 | 0 | 0 | 111.7 | E39 L40 R45 | E39-Q43 WeakPolarHBondContact O-CG 3.26Å; E39-Q43 PolarHBondContact O-N 3.39Å; L40-Q43 WeakPolarHBondContact O-CB 3.15Å; L40-Q43 PolarHBondContact O-N 3.23Å; Q43-R45 VanDerWaalsContact C-N 3.3Å; Q43-R45 PolarHBondContact O-N 2.83Å |
| 44 | L | 75.3 | Confident | 70.2 | Confident | 136 Ų | 136 | 109.6 Ų | 109.6 | 71% | 0.712 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -2.8 | 178.6 | -161.1 | 60.7 | 0 | 0 | 0 | 114.3 | L40 A41 W42 | L40-L44 WeakPolarHBondContact O-CB 3.25Å; L40-L44 PolarHBondContact O-N 2.96Å; A41-L44 CarbonylContact O-C 3.39Å; A41-L44 PolarHBondContact O-N 3.47Å; W42-L44 PolarHBondContact O-N 3Å |
| 45 | R | 62.8 | Low | 70.1 | Confident | 232 Ų | 232 | 108.2 Ų | 108.2 | 88% | 0.875 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 47.4 | 172.7 | -152.9 | 167.6 | -173.5 | 140.6 | -1.8 | 114.4 | A41 W42 Q43 | A41-R45 PolarHBondContact O-N 3.48Å; W42-R45 PolarHBondContact O-N 3.38Å; W42-R45 VanDerWaalsContact O-N 3.14Å; Q43-R45 VanDerWaalsContact C-N 3.3Å; Q43-R45 PolarHBondContact O-N 2.83Å |
| 46 | M | 63.2 | Low | 69.9 | Low | 147 Ų | 147 | 105.3 Ų | 105.3 | 72% | 0.724 | 51% | 0.514 | S | S | * | . | trans | -104.3 | 122.2 | 161.1 | -84.6 | 175.1 | 171.4 | 0 | 0 | 110 | A41 F48 | A41-M46 PolarHBondContact O-N 3.09Å; M46-F48 PolarHBondContact O-N 3.5Å | ||
| 47 | N | 61.5 | Low | 69.9 | Low | 148 Ų | 148 | 106.3 Ų | 106.3 | 79% | 0.791 | 52% | 0.515 | S | S | * | . | trans | -30.8 | 92.2 | 179 | -86 | -78.4 | 0 | 0 | 0 | 113.9 | P49 Y50 | N47-P49 VanDerWaalsContact C-N 3.34Å; N47-P49 WeakPolarHBondContact O-CD 3.28Å; N47-Y50 PolarHBondContact O-N 3.39Å | ||
| 48 | F | 57.2 | Low | 70.2 | Confident | 74 Ų | 74 | 105.9 Ų | 105.9 | 33% | 0.325 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -29.2 | -41.9 | -171.4 | -155.3 | -133 | 0 | 0 | 0 | 117.2 | F38 W42 M46 Y50 | F38-F48 AromaticContact CD1-CD2 3.63Å; F38-F48 HydrophobicContact CD1-CD2 3.63Å; F38-F48 HydrophobicContact CD1-CE1 4.3Å; F38-F48 AromaticContact CD1-CE2 3.17Å; F38-F48 HydrophobicContact CD1-CE2 3.17Å; F38-F48 HydrophobicContact CD1-CG 4.4Å; F38-F48 AromaticContact CD1-CZ 3.59Å; F38-F48 HydrophobicContact CD1-CZ 3.59Å; F38-F48 AromaticContact CE1-CD1 3.61Å; F38-F48 HydrophobicContact CE1-CD1 3.61Å; F38-F48 AromaticContact CE1-CD2 3.19Å; F38-F48 HydrophobicContact CE1-CD2 3.19Å; F38-F48 AromaticContact CE1-CE1 3.44Å; F38-F48 HydrophobicContact CE1-CE1 3.44Å; F38-F48 VanDerWaalsContact CE1-CE1 3.44Å; F38-F48 AromaticContact CE1-CE2 3.03Å; F38-F48 HydrophobicContact CE1-CE2 3.03Å; F38-F48 AromaticContact CE1-CG 3.52Å; F38-F48 HydrophobicContact CE1-CG 3.52Å; F38-F48 AromaticContact CE1-CZ 3.19Å; F38-F48 HydrophobicContact CE1-CZ 3.19Å; F38-F48 HydrophobicContact CE2-CD2 4.23Å; F38-F48 HydrophobicContact CE2-CG 4.48Å; F38-F48 WeakPolarHBondContact CE2-O 3.15Å; F38-F48 HydrophobicContact CG-CD2 4.32Å; F38-F48 HydrophobicContact CG-CE2 4.15Å; F38-F48 HydrophobicContact CZ-CB 4.32Å; F38-F48 AromaticContact CZ-CD1 3.85Å; F38-F48 HydrophobicContact CZ-CD1 3.85Å; F38-F48 AromaticContact CZ-CD2 3.53Å; F38-F48 HydrophobicContact CZ-CD2 3.53Å; F38-F48 HydrophobicContact CZ-CE1 4.16Å; F38-F48 AromaticContact CZ-CE2 3.89Å; F38-F48 HydrophobicContact CZ-CE2 3.89Å; F38-F48 AromaticContact CZ-CG 3.56Å; F38-F48 HydrophobicContact CZ-CG 3.56Å; F38-F48 HydrophobicContact CZ-CZ 4.21Å; F38-F48 WeakPolarHBondContact CZ-O 3.45Å; W42-F48 HydrophobicContact CB-CD2 3.84Å; W42-F48 HydrophobicContact CB-CE2 3.59Å; W42-F48 AromaticContact CD2-CD2 3.65Å; W42-F48 HydrophobicContact CD2-CD2 3.65Å; W42-F48 AromaticContact CD2-CE2 3.43Å; W42-F48 HydrophobicContact CD2-CE2 3.43Å; W42-F48 VanDerWaalsContact CD2-CE2 3.43Å; W42-F48 HydrophobicContact CD2-CG 4.35Å; W42-F48 HydrophobicContact CD2-CZ 4.01Å; W42-F48 HydrophobicContact CE3-CB 3.74Å; W42-F48 AromaticContact CE3-CD1 3.93Å; W42-F48 HydrophobicContact CE3-CD1 3.93Å; W42-F48 AromaticContact CE3-CD2 2.96Å; W42-F48 HydrophobicContact CE3-CD2 2.96Å; W42-F48 HydrophobicContact CE3-CE1 4.16Å; W42-F48 AromaticContact CE3-CE2 3.23Å; W42-F48 HydrophobicContact CE3-CE2 3.23Å; W42-F48 AromaticContact CE3-CG 3.32Å; W42-F48 HydrophobicContact CE3-CG 3.32Å; W42-F48 AromaticContact CE3-CZ 3.82Å; W42-F48 HydrophobicContact CE3-CZ 3.82Å; W42-F48 HydrophobicContact CG-CD2 4.06Å; W42-F48 AromaticContact CG-CE2 3.65Å; W42-F48 HydrophobicContact CG-CE2 3.65Å; W42-F48 HydrophobicContact CG-CZ 4.46Å; W42-F48 HydrophobicContact CH2-CD1 4.43Å; W42-F48 HydrophobicContact CH2-CE1 4.42Å; W42-F48 HydrophobicContact CZ3-CB 3.69Å; W42-F48 AromaticContact CZ3-CD1 3.64Å; W42-F48 HydrophobicContact CZ3-CD1 3.64Å; W42-F48 AromaticContact CZ3-CD2 3.6Å; W42-F48 HydrophobicContact CZ3-CD2 3.6Å; W42-F48 AromaticContact CZ3-CE1 3.96Å; W42-F48 HydrophobicContact CZ3-CE1 3.96Å; W42-F48 AromaticContact CZ3-CE2 3.89Å; W42-F48 HydrophobicContact CZ3-CE2 3.89Å; W42-F48 AromaticContact CZ3-CG 3.42Å; W42-F48 HydrophobicContact CZ3-CG 3.42Å; W42-F48 VanDerWaalsContact CZ3-CG 3.42Å; W42-F48 HydrophobicContact CZ3-CZ 4.05Å; M46-F48 PolarHBondContact O-N 3.5Å; F48-Y50 PolarHBondContact O-N 2.85Å |
| 49 | P | 63 | Low | 70.4 | Confident | 78 Ų | 78 | 106.1 Ų | 106.1 | 51% | 0.506 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -75 | -27.8 | -168.8 | -17.1 | 31.5 | 0 | 0 | 0 | 116.2 | N47 I53 | N47-P49 VanDerWaalsContact C-N 3.34Å; N47-P49 WeakPolarHBondContact O-CD 3.28Å; P49-I53 VanDerWaalsContact O-CG1 3.25Å; P49-I53 WeakPolarHBondContact O-CG1 3.4Å; P49-I53 PolarHBondContact O-N 2.9Å |
| 50 | Y | 66.2 | Low | 70.5 | Confident | 197 Ų | 197 | 105.4 Ų | 105.4 | 77% | 0.773 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.7 | -40.1 | -161.4 | -112.7 | -89.5 | 0 | 0 | 0 | 114.2 | N47 F48 I53 A54 | N47-Y50 PolarHBondContact O-N 3.39Å; F48-Y50 PolarHBondContact O-N 2.85Å; Y50-I53 PolarHBondContact O-N 3.05Å; Y50-A54 WeakPolarHBondContact O-CB 3.43Å; Y50-A54 PolarHBondContact O-N 3.48Å |
| 51 | F | 70.4 | Confident | 70.6 | Confident | 106 Ų | 106 | 104.2 Ų | 104.2 | 47% | 0.465 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.3 | -35.5 | -178.3 | -165.9 | -97.6 | 0 | 0 | 0 | 112 | L34 F37 A54 G55 | L34-F51 HydrophobicContact CD2-CE1 4.29Å; F37-F51 HydrophobicContact CD1-CD1 4.22Å; F37-F51 AromaticContact CD1-CE1 3.56Å; F37-F51 HydrophobicContact CD1-CE1 3.56Å; F37-F51 AromaticContact CD1-CZ 3.83Å; F37-F51 HydrophobicContact CD1-CZ 3.83Å; F37-F51 HydrophobicContact CE1-CE1 4.02Å; F37-F51 HydrophobicContact CE1-CE2 4.36Å; F37-F51 AromaticContact CE1-CZ 3.79Å; F37-F51 HydrophobicContact CE1-CZ 3.79Å; F37-F51 HydrophobicContact CG-CE1 4.44Å; F51-A54 PolarHBondContact O-N 3.38Å; F51-G55 PolarHBondContact O-N 3.39Å |
| 52 | Y | 71.9 | Confident | 70.7 | Confident | 132 Ų | 132 | 110.4 Ų | 110.4 | 52% | 0.518 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.8 | -46.3 | 174.7 | 174.1 | -98 | 0 | 0 | 0 | 111.5 | A54 G55 S56 | Y52-A54 VanDerWaalsContact C-N 3.34Å; Y52-A54 PolarHBondContact O-N 3.41Å; Y52-G55 PolarHBondContact O-N 3.34Å; Y52-S56 VanDerWaalsContact O-CB 3.25Å; Y52-S56 WeakPolarHBondContact O-CB 3.27Å; Y52-S56 PolarHBondContact O-N 2.81Å |
| 53 | I | 73.8 | Confident | 71 | Confident | 98 Ų | 98 | 105.8 Ų | 105.8 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 176.7 | -63.4 | -69.6 | 0 | 0 | 0 | 110.2 | P49 Y50 S56 V57 | P49-I53 VanDerWaalsContact O-CG1 3.25Å; P49-I53 WeakPolarHBondContact O-CG1 3.4Å; P49-I53 PolarHBondContact O-N 2.9Å; Y50-I53 PolarHBondContact O-N 3.05Å; I53-S56 PolarHBondContact O-N 2.88Å; I53-V57 HydrophobicContact CG2-CG2 4.29Å; I53-V57 WeakPolarHBondContact O-CB 3.26Å; I53-V57 WeakPolarHBondContact O-CG2 3.15Å; I53-V57 PolarHBondContact O-N 3.36Å |
| 54 | A | 77.9 | Confident | 71 | Confident | 48 Ų | 48 | 104 Ų | 104 | 40% | 0.397 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -48.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y50 F51 Y52 S56 V57 I58 | Y50-A54 WeakPolarHBondContact O-CB 3.43Å; Y50-A54 PolarHBondContact O-N 3.48Å; F51-A54 PolarHBondContact O-N 3.38Å; Y52-A54 VanDerWaalsContact C-N 3.34Å; Y52-A54 PolarHBondContact O-N 3.41Å; A54-S56 PolarHBondContact O-N 3.25Å; A54-V57 PolarHBondContact O-N 2.98Å; A54-I58 WeakPolarHBondContact O-CD1 3.2Å; A54-I58 VanDerWaalsContact O-CG1 3.27Å; A54-I58 WeakPolarHBondContact O-CG1 3.14Å; A54-I58 PolarHBondContact O-N 3.47Å; A54-I58 VanDerWaalsContact O-N 3.09Å |
| 55 | G | 76.6 | Confident | 70.6 | Confident | 17 Ų | 17 | 102.8 Ų | 102.8 | 18% | 0.175 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F51 Y52 I58 L59 | F51-G55 PolarHBondContact O-N 3.39Å; Y52-G55 PolarHBondContact O-N 3.34Å; G55-I58 PolarHBondContact O-N 3.16Å; G55-L59 WeakPolarHBondContact O-CB 2.87Å; G55-L59 PolarHBondContact O-N 3.16Å |
| 56 | S | 74.3 | Confident | 70.6 | Confident | 53 Ų | 53 | 96 Ų | 96 | 37% | 0.371 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 178 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | Y52 I53 A54 N60 | Y52-S56 VanDerWaalsContact O-CB 3.25Å; Y52-S56 WeakPolarHBondContact O-CB 3.27Å; Y52-S56 PolarHBondContact O-N 2.81Å; I53-S56 PolarHBondContact O-N 2.88Å; A54-S56 PolarHBondContact O-N 3.25Å; S56-N60 WeakPolarHBondContact O-CB 3.44Å; S56-N60 PolarHBondContact O-N 3Å |
| 57 | V | 81.6 | Confident | 70.5 | Confident | 75 Ų | 75 | 95.6 Ų | 95.6 | 46% | 0.455 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.2 | -44.4 | 177.2 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | I53 A54 L59 N60 I61 | I53-V57 HydrophobicContact CG2-CG2 4.29Å; I53-V57 WeakPolarHBondContact O-CB 3.26Å; I53-V57 WeakPolarHBondContact O-CG2 3.15Å; I53-V57 PolarHBondContact O-N 3.36Å; A54-V57 PolarHBondContact O-N 2.98Å; V57-L59 VanDerWaalsContact C-N 3.32Å; V57-L59 PolarHBondContact O-N 2.87Å; V57-N60 PolarHBondContact O-N 3.44Å; V57-I61 HydrophobicContact CG1-CD1 3.84Å; V57-I61 HydrophobicContact CG1-CG1 4.46Å; V57-I61 VanDerWaalsContact O-CG1 3.26Å; V57-I61 WeakPolarHBondContact O-CG1 3.14Å; V57-I61 PolarHBondContact O-N 3.48Å |
| 58 | I | 80.1 | Confident | 70.6 | Confident | 107 Ų | 107 | 95.3 Ų | 95.3 | 55% | 0.549 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 176.9 | -66.4 | 161.9 | 0 | 0 | 0 | 110.2 | A54 G55 I61 R62 | A54-I58 WeakPolarHBondContact O-CD1 3.2Å; A54-I58 VanDerWaalsContact O-CG1 3.27Å; A54-I58 WeakPolarHBondContact O-CG1 3.14Å; A54-I58 PolarHBondContact O-N 3.47Å; A54-I58 VanDerWaalsContact O-N 3.09Å; G55-I58 PolarHBondContact O-N 3.16Å; I58-I61 PolarHBondContact O-N 3.25Å; I58-R62 WeakPolarHBondContact O-CG 3.27Å; I58-R62 PolarHBondContact O-N 3.37Å; I58-R62 VanDerWaalsContact O-N 3.13Å |
| 59 | L | 74.6 | Confident | 70.5 | Confident | 34 Ų | 34 | 96.3 Ų | 96.3 | 18% | 0.178 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -65.2 | -43 | 177.6 | -155.8 | 72.1 | 0 | 0 | 0 | 111.6 | F26 L30 G55 V57 I61 R62 L63 | F26-L59 HydrophobicContact CE1-CD1 3.84Å; L30-L59 HydrophobicContact CD1-CD1 3.2Å; L30-L59 HydrophobicContact CD1-CD2 4.14Å; L30-L59 HydrophobicContact CD1-CG 4.32Å; G55-L59 WeakPolarHBondContact O-CB 2.87Å; G55-L59 PolarHBondContact O-N 3.16Å; V57-L59 VanDerWaalsContact C-N 3.32Å; V57-L59 PolarHBondContact O-N 2.87Å; L59-I61 VanDerWaalsContact C-N 3.33Å; L59-I61 PolarHBondContact O-N 3.13Å; L59-R62 PolarHBondContact O-N 3.41Å; L59-R62 VanDerWaalsContact O-N 3.13Å; L59-L63 HydrophobicContact CG-CD1 4Å; L59-L63 WeakPolarHBondContact O-CD1 3.38Å; L59-L63 PolarHBondContact O-N 3.43Å |
| 60 | N | 75.4 | Confident | 70.1 | Confident | 92 Ų | 92 | 97.1 Ų | 97.1 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 177.7 | -170.3 | -78.5 | 0 | 0 | 0 | 111.7 | S56 V57 R62 L63 Q64 | S56-N60 WeakPolarHBondContact O-CB 3.44Å; S56-N60 PolarHBondContact O-N 3Å; V57-N60 PolarHBondContact O-N 3.44Å; N60-R62 PolarHBondContact O-N 2.92Å; N60-L63 PolarHBondContact O-N 3.13Å; N60-Q64 VanDerWaalsContact O-CB 3.24Å; N60-Q64 WeakPolarHBondContact O-CB 3.17Å; N60-Q64 PolarHBondContact O-N 2.86Å |
| 61 | I | 76.6 | Confident | 69.6 | Low | 96 Ų | 96 | 90.5 Ų | 90.5 | 49% | 0.492 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 175.4 | -65.5 | 163.5 | 0 | 0 | 0 | 110.9 | V57 I58 L59 Q64 E65 | V57-I61 HydrophobicContact CG1-CD1 3.84Å; V57-I61 HydrophobicContact CG1-CG1 4.46Å; V57-I61 VanDerWaalsContact O-CG1 3.26Å; V57-I61 WeakPolarHBondContact O-CG1 3.14Å; V57-I61 PolarHBondContact O-N 3.48Å; I58-I61 PolarHBondContact O-N 3.25Å; L59-I61 VanDerWaalsContact C-N 3.33Å; L59-I61 PolarHBondContact O-N 3.13Å; I61-Q64 PolarHBondContact O-N 2.87Å; I61-E65 WeakPolarHBondContact O-CB 3.25Å; I61-E65 PolarHBondContact O-N 2.95Å |
| 62 | R | 72.6 | Confident | 69 | Low | 153 Ų | 153 | 88.3 Ų | 88.3 | 58% | 0.577 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -71 | -32.4 | 179 | -61.9 | -60.3 | -88.4 | -89.9 | 3 | 113.3 | I58 L59 N60 I66 | I58-R62 WeakPolarHBondContact O-CG 3.27Å; I58-R62 PolarHBondContact O-N 3.37Å; I58-R62 VanDerWaalsContact O-N 3.13Å; L59-R62 PolarHBondContact O-N 3.41Å; L59-R62 VanDerWaalsContact O-N 3.13Å; N60-R62 PolarHBondContact O-N 2.92Å; R62-I66 VanDerWaalsContact O-CD1 3.31Å; R62-I66 WeakPolarHBondContact O-CD1 3.29Å; R62-I66 VanDerWaalsContact O-CG1 3.25Å; R62-I66 WeakPolarHBondContact O-CG1 3.32Å; R62-I66 PolarHBondContact O-N 2.9Å |
| 63 | L | 66.4 | Low | 68.2 | Low | 40 Ų | 40 | 88 Ų | 88 | 21% | 0.209 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -67 | -45.1 | 167.7 | -95.5 | 76.5 | 0 | 0 | 0 | 111.7 | Y23 L59 N60 E65 I66 H67 | Y23-L63 HydrophobicContact CE1-CD2 4.26Å; Y23-L63 HydrophobicContact CE2-CD1 3.3Å; Y23-L63 HydrophobicContact CE2-CD2 4.03Å; Y23-L63 HydrophobicContact CE2-CG 3.49Å; Y23-L63 VanDerWaalsContact CE2-CG 3.49Å; Y23-L63 VanDerWaalsContact CZ-CD2 3.46Å; Y23-L63 VanDerWaalsContact CZ-CG 3.5Å; Y23-L63 WeakPolarHBondContact OH-CD1 3.26Å; Y23-L63 WeakPolarHBondContact OH-CD2 3.31Å; Y23-L63 VanDerWaalsContact OH-CG 3.27Å; Y23-L63 WeakPolarHBondContact OH-CG 3.24Å; L59-L63 HydrophobicContact CG-CD1 4Å; L59-L63 WeakPolarHBondContact O-CD1 3.38Å; L59-L63 PolarHBondContact O-N 3.43Å; N60-L63 PolarHBondContact O-N 3.13Å; L63-E65 VanDerWaalsContact C-N 3.28Å; L63-E65 PolarHBondContact O-N 3.16Å; L63-I66 PolarHBondContact O-N 2.88Å; L63-I66 VanDerWaalsContact O-N 3.16Å; L63-H67 PolarHBondContact O-N 3.34Å |
| 64 | Q | 69.2 | Low | 66.9 | Low | 121 Ų | 121 | 95 Ų | 95 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.9 | -40.3 | -174.8 | -174.8 | 176.4 | 94.7 | 0 | 0 | 110.3 | N60 I61 H67 L68 | N60-Q64 VanDerWaalsContact O-CB 3.24Å; N60-Q64 WeakPolarHBondContact O-CB 3.17Å; N60-Q64 PolarHBondContact O-N 2.86Å; I61-Q64 PolarHBondContact O-N 2.87Å; Q64-H67 PolarHBondContact O-N 3.46Å; Q64-L68 VanDerWaalsContact O-CB 3.32Å; Q64-L68 WeakPolarHBondContact O-CB 3.34Å; Q64-L68 PolarHBondContact O-N 3.43Å |
| 65 | E | 66.4 | Low | 65.3 | Low | 111 Ų | 111 | 103.6 Ų | 103.6 | 52% | 0.519 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.3 | -46.1 | 172.1 | -172.7 | -127.9 | 133.8 | 0 | 0 | 112 | I61 L63 H67 L68 T69 | I61-E65 WeakPolarHBondContact O-CB 3.25Å; I61-E65 PolarHBondContact O-N 2.95Å; L63-E65 VanDerWaalsContact C-N 3.28Å; L63-E65 PolarHBondContact O-N 3.16Å; E65-H67 PolarHBondContact O-N 3.28Å; E65-L68 PolarHBondContact O-N 3.36Å; E65-T69 WeakPolarHBondContact O-CB 3.32Å; E65-T69 VanDerWaalsContact O-CG2 3.32Å; E65-T69 WeakPolarHBondContact O-CG2 3.49Å; E65-T69 PolarHBondContact O-N 2.86Å |
| 66 | I | 62.8 | Low | 64.8 | Low | 90 Ų | 90 | 107.9 Ų | 107.9 | 46% | 0.462 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.9 | -39.7 | 177.9 | -67.2 | 164.6 | 0 | 0 | 0 | 111.7 | R62 L63 T69 S70 | R62-I66 VanDerWaalsContact O-CD1 3.31Å; R62-I66 WeakPolarHBondContact O-CD1 3.29Å; R62-I66 VanDerWaalsContact O-CG1 3.25Å; R62-I66 WeakPolarHBondContact O-CG1 3.32Å; R62-I66 PolarHBondContact O-N 2.9Å; L63-I66 PolarHBondContact O-N 2.88Å; L63-I66 VanDerWaalsContact O-N 3.16Å; I66-T69 VanDerWaalsContact O-CG2 3.29Å; I66-T69 WeakPolarHBondContact O-CG2 3.17Å; I66-S70 WeakPolarHBondContact O-CB 3.46Å; I66-S70 PolarHBondContact O-N 3.28Å |
| 67 | H | 61.3 | Low | 64.3 | Low | 137 Ų | 137 | 110.8 Ų | 110.8 | 63% | 0.634 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71.6 | -35.8 | 176.2 | -78 | 179 | 0 | 0 | 0 | 112.5 | L63 Q64 E65 G71 | L63-H67 PolarHBondContact O-N 3.34Å; Q64-H67 PolarHBondContact O-N 3.46Å; E65-H67 PolarHBondContact O-N 3.28Å; H67-G71 PolarHBondContact O-N 3.42Å; H67-G71 VanDerWaalsContact O-N 3.11Å |
| 68 | L | 63.7 | Low | 63.3 | Low | 143 Ų | 143 | 112.8 Ų | 112.8 | 75% | 0.749 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.1 | -38.7 | 176.6 | -148.1 | 83.5 | 0 | 0 | 0 | 111.3 | Q64 E65 G71 | Q64-L68 VanDerWaalsContact O-CB 3.32Å; Q64-L68 WeakPolarHBondContact O-CB 3.34Å; Q64-L68 PolarHBondContact O-N 3.43Å; E65-L68 PolarHBondContact O-N 3.36Å; L68-G71 PolarHBondContact O-N 3.48Å |
| 69 | T | 55.7 | Low | 62.3 | Low | 94 Ų | 94 | 113.1 Ų | 113.1 | 58% | 0.577 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -75.2 | -31.4 | 175.7 | -166.8 | 0 | 0 | 0 | 0 | 112.5 | E65 I66 G71 G72 | E65-T69 WeakPolarHBondContact O-CB 3.32Å; E65-T69 VanDerWaalsContact O-CG2 3.32Å; E65-T69 WeakPolarHBondContact O-CG2 3.49Å; E65-T69 PolarHBondContact O-N 2.86Å; I66-T69 VanDerWaalsContact O-CG2 3.29Å; I66-T69 WeakPolarHBondContact O-CG2 3.17Å; T69-G71 VanDerWaalsContact C-N 3.28Å; T69-G71 PolarHBondContact O-N 3.11Å; T69-G72 PolarHBondContact O-N 3.34Å |
| 70 | S | 54.7 | Low | 61.5 | Low | 95 Ų | 95 | 118.1 Ų | 118.1 | 66% | 0.664 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -75.9 | -12.6 | 173.9 | -171 | 0 | 0 | 0 | 0 | 113.9 | I66 G72 | I66-S70 WeakPolarHBondContact O-CB 3.46Å; I66-S70 PolarHBondContact O-N 3.28Å; S70-G72 VanDerWaalsContact C-N 3.34Å |
| 71 | G | 55.5 | Low | 60.6 | Low | 58 Ų | 58 | 119.8 Ų | 119.8 | 60% | 0.598 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -7.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114 | H67 L68 T69 T73 | H67-G71 PolarHBondContact O-N 3.42Å; H67-G71 VanDerWaalsContact O-N 3.11Å; L68-G71 PolarHBondContact O-N 3.48Å; T69-G71 VanDerWaalsContact C-N 3.28Å; T69-G71 PolarHBondContact O-N 3.11Å; G71-T73 PolarHBondContact O-N 3.23Å |
| 72 | G | 57.4 | Low | 59.5 | Low | 61 Ų | 61 | 121.5 Ų | 121.5 | 63% | 0.629 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -90.2 | 35.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | T69 S70 | T69-G72 PolarHBondContact O-N 3.34Å; S70-G72 VanDerWaalsContact C-N 3.34Å |
| 73 | T | 54.8 | Low | 58.5 | Low | 125 Ų | 125 | 119.1 Ų | 119.1 | 77% | 0.767 | 66% | 0.655 | S | S | * | * | trans | -149.7 | 66.3 | 168.9 | -38.5 | 0 | 0 | 0 | 0 | 110.9 | G71 | G71-T73 PolarHBondContact O-N 3.23Š| ||
| 74 | R | 47.8 | Very low | 57.8 | Low | 246 Ų | 246 | 125.7 Ų | 125.7 | 93% | 0.928 | 69% | 0.692 | S | S | * | * | trans | -129.2 | 78.8 | 158.2 | -61.4 | -175.6 | 95 | 130.9 | 0.8 | 107.2 | ||||
| 75 | N | 44.5 | Very low | 56.8 | Low | 227 Ų | 227 | 126.1 Ų | 126.1 | 100% | 1.214 | 70% | 0.704 | S | S | * | * | trans | -69.9 | 0 | 158.7 | 172.8 | 84.4 | 0 | 0 | 0 | 109.3 |
Retrieved 75 of 75 residues in 185.3 ms
(Link to these results)