| 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 | 46.3 | Very low | 56.6 | Low | 230 Ų | 230 | 108.3 Ų | 108.3 | 100% | 1.133 | 62% | 0.619 | S | S | * | * | 0 | 120.8 | 0 | -69.3 | 170.6 | -174.3 | 0 | 0 | 107.5 | |||||
| 2 | N | 59.7 | Low | 56.2 | Low | 105 Ų | 105 | 107.8 Ų | 107.8 | 56% | 0.561 | 63% | 0.628 | S | S | * | * | trans | -86.7 | 119.8 | -171.1 | -148.5 | -20.9 | 0 | 0 | 0 | 109.3 | A4 N5 L6 | N2-A4 PolarHBondContact O-N 3.06Å; N2-A4 VanDerWaalsContact O-N 3.14Å; N2-N5 PolarHBondContact O-N 3.14Å; N2-L6 PolarHBondContact O-N 3.49Å | ||
| 3 | P | 64.3 | Low | 56 | Low | 94 Ų | 94 | 102.3 Ų | 102.3 | 61% | 0.61 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -59.7 | -27.5 | -176 | 22.8 | -34 | 0 | 0 | 0 | 112.7 | N5 L6 L7 | P3-N5 VanDerWaalsContact C-N 3.3Å; P3-N5 PolarHBondContact O-N 3.3Å; P3-L6 PolarHBondContact O-N 3.4Å; P3-L7 WeakPolarHBondContact O-CB 3.23Å; P3-L7 PolarHBondContact O-N 2.96Å |
| 4 | A | 65.7 | Low | 55.9 | Low | 57 Ų | 57 | 99.2 Ų | 99.2 | 47% | 0.471 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.6 | -33.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N2 L7 S8 | N2-A4 PolarHBondContact O-N 3.06Å; N2-A4 VanDerWaalsContact O-N 3.14Å; A4-L7 PolarHBondContact O-N 3.37Å; A4-S8 VanDerWaalsContact O-CB 3.24Å; A4-S8 WeakPolarHBondContact O-CB 3.41Å; A4-S8 PolarHBondContact O-N 3.27Å |
| 5 | N | 57.2 | Low | 55.9 | Low | 113 Ų | 113 | 96.5 Ų | 96.5 | 60% | 0.604 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -76.8 | -31.6 | 178.5 | -69.5 | -3.9 | 0 | 0 | 0 | 111.7 | N2 P3 A9 | N2-N5 PolarHBondContact O-N 3.14Å; P3-N5 VanDerWaalsContact C-N 3.3Å; P3-N5 PolarHBondContact O-N 3.3Å; N5-A9 VanDerWaalsContact O-CB 3.23Å; N5-A9 WeakPolarHBondContact O-CB 3.48Å; N5-A9 PolarHBondContact O-N 2.97Å |
| 6 | L | 57 | Low | 56.3 | Low | 121 Ų | 121 | 94.1 Ų | 94.1 | 63% | 0.634 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.7 | -42.7 | 170.5 | -78.2 | 166.1 | 0 | 0 | 0 | 111.2 | N2 P3 A10 | N2-L6 PolarHBondContact O-N 3.49Å; P3-L6 PolarHBondContact O-N 3.4Å; L6-A10 WeakPolarHBondContact O-CB 3.24Å; L6-A10 PolarHBondContact O-N 3.39Å |
| 7 | L | 58.7 | Low | 57.2 | Low | 134 Ų | 134 | 94.2 Ų | 94.2 | 70% | 0.702 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.4 | -37.4 | 177.1 | -142.9 | 85 | 0 | 0 | 0 | 112.1 | P3 A4 K11 | P3-L7 WeakPolarHBondContact O-CB 3.23Å; P3-L7 PolarHBondContact O-N 2.96Å; A4-L7 PolarHBondContact O-N 3.37Å; L7-K11 VanDerWaalsContact O-CB 3.3Å; L7-K11 WeakPolarHBondContact O-CB 3.37Å; L7-K11 PolarHBondContact O-N 3.1Å; L7-K11 VanDerWaalsContact O-N 3.13Å |
| 8 | S | 56.5 | Low | 58.4 | Low | 75 Ų | 75 | 92.8 Ų | 92.8 | 52% | 0.524 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -76.2 | -37.6 | 179.9 | -153.8 | 0 | 0 | 0 | 0 | 112.6 | A4 A10 K11 S12 | A4-S8 VanDerWaalsContact O-CB 3.24Å; A4-S8 WeakPolarHBondContact O-CB 3.41Å; A4-S8 PolarHBondContact O-N 3.27Å; S8-A10 VanDerWaalsContact C-N 3.35Å; S8-K11 PolarHBondContact O-N 3Å; S8-K11 VanDerWaalsContact O-N 3.09Å; S8-S12 PolarHBondContact O-N 2.69Å; S8-S12 VanDerWaalsContact O-N 3.1Å; S8-S12 PolarHBondContact O-OG 2.94Å |
| 9 | A | 50.7 | Low | 59.5 | Low | 63 Ų | 63 | 94.1 Ų | 94.1 | 52% | 0.521 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.3 | -34.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N5 K11 | N5-A9 VanDerWaalsContact O-CB 3.23Å; N5-A9 WeakPolarHBondContact O-CB 3.48Å; N5-A9 PolarHBondContact O-N 2.97Å; A9-K11 VanDerWaalsContact C-N 3.29Å |
| 10 | A | 53.2 | Low | 60.5 | Low | 48 Ų | 48 | 94 Ų | 94 | 40% | 0.397 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.1 | -33.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L6 S8 T14 T15 | L6-A10 WeakPolarHBondContact O-CB 3.24Å; L6-A10 PolarHBondContact O-N 3.39Å; S8-A10 VanDerWaalsContact C-N 3.35Å; A10-T14 WeakPolarHBondContact O-CB 3.3Å; A10-T14 PolarHBondContact O-N 3.47Å; A10-T14 PolarHBondContact O-OG1 3.06Å; A10-T15 PolarHBondContact O-N 3.31Å |
| 11 | K | 53 | Low | 61.5 | Low | 151 Ų | 151 | 90.6 Ų | 90.6 | 66% | 0.657 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -84.8 | -15.9 | -174.4 | -162 | 166.9 | -175.9 | 175 | 0 | 115.4 | L7 S8 A9 T15 | L7-K11 VanDerWaalsContact O-CB 3.3Å; L7-K11 WeakPolarHBondContact O-CB 3.37Å; L7-K11 PolarHBondContact O-N 3.1Å; L7-K11 VanDerWaalsContact O-N 3.13Å; S8-K11 PolarHBondContact O-N 3Å; S8-K11 VanDerWaalsContact O-N 3.09Å; A9-K11 VanDerWaalsContact C-N 3.29Å; K11-T15 HydrophobicContact CB-CG2 4.44Å; K11-T15 HydrophobicContact CG-CG2 4.21Å; K11-T15 PolarHBondContact O-OG1 3.36Å |
| 12 | S | 52.2 | Low | 63.3 | Low | 103 Ų | 103 | 83 Ų | 83 | 72% | 0.72 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -96.7 | -17.6 | -175.3 | 58.8 | 0 | 0 | 0 | 0 | 115.3 | S8 | S8-S12 PolarHBondContact O-N 2.69Å; S8-S12 VanDerWaalsContact O-N 3.1Å; S8-S12 PolarHBondContact O-OG 2.94Å |
| 13 | G | 53.7 | Low | 64.6 | Low | 36 Ų | 36 | 87.7 Ų | 87.7 | 37% | 0.371 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -136.5 | -15.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | N17 | G13-N17 PolarHBondContact O-ND2 3.24Å |
| 14 | T | 55 | Low | 65.6 | Low | 59 Ų | 59 | 86.9 Ų | 86.9 | 36% | 0.362 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -98.4 | -31.2 | -176.5 | -43.5 | 0 | 0 | 0 | 0 | 112 | A10 N17 I18 | A10-T14 WeakPolarHBondContact O-CB 3.3Å; A10-T14 PolarHBondContact O-N 3.47Å; A10-T14 PolarHBondContact O-OG1 3.06Å; T14-N17 PolarHBondContact O-N 3.01Å; T14-I18 HydrophobicContact CG2-CD1 3.69Å; T14-I18 HydrophobicContact CG2-CG1 4.13Å; T14-I18 VanDerWaalsContact O-CG1 3.26Å; T14-I18 WeakPolarHBondContact O-CG1 3.33Å; T14-I18 PolarHBondContact O-N 3.35Å |
| 15 | T | 55.6 | Low | 66.8 | Low | 58 Ų | 58 | 87.7 Ų | 87.7 | 36% | 0.356 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.2 | -33.9 | -176.1 | 46.8 | 0 | 0 | 0 | 0 | 114.4 | A10 K11 L19 | A10-T15 PolarHBondContact O-N 3.31Å; K11-T15 HydrophobicContact CB-CG2 4.44Å; K11-T15 HydrophobicContact CG-CG2 4.21Å; K11-T15 PolarHBondContact O-OG1 3.36Å; T15-L19 WeakPolarHBondContact O-CB 3.5Å; T15-L19 WeakPolarHBondContact O-CG 3.37Å; T15-L19 PolarHBondContact O-N 2.9Å |
| 16 | S | 61.3 | Low | 68.3 | Low | 59 Ų | 59 | 83.8 Ų | 83.8 | 41% | 0.413 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.4 | -49 | 172.2 | 50 | 0 | 0 | 0 | 0 | 110.1 | I18 L19 D20 | S16-I18 PolarHBondContact O-N 3.1Å; S16-L19 PolarHBondContact O-N 3.49Å; S16-D20 VanDerWaalsContact O-CG 3.24Å; S16-D20 PolarHBondContact O-N 3.37Å; S16-D20 VanDerWaalsContact O-OD2 3.11Å |
| 17 | N | 72.7 | Confident | 69.9 | Low | 95 Ų | 95 | 78.1 Ų | 78.1 | 51% | 0.508 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.2 | -38.2 | -179.6 | -62.6 | -14 | 0 | 0 | 0 | 112.7 | G13 T14 F21 | G13-N17 PolarHBondContact O-ND2 3.24Å; T14-N17 PolarHBondContact O-N 3.01Å; N17-F21 VanDerWaalsContact O-CB 3.28Å; N17-F21 WeakPolarHBondContact O-CB 3.47Å; N17-F21 PolarHBondContact O-N 3.05Å |
| 18 | I | 78.5 | Confident | 71.5 | Confident | 69 Ų | 69 | 75.9 Ų | 75.9 | 35% | 0.354 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.5 | -45.3 | 175.4 | -70 | 166.7 | 0 | 0 | 0 | 110.9 | T14 S16 D20 F21 L22 F86 | T14-I18 HydrophobicContact CG2-CD1 3.69Å; T14-I18 HydrophobicContact CG2-CG1 4.13Å; T14-I18 VanDerWaalsContact O-CG1 3.26Å; T14-I18 WeakPolarHBondContact O-CG1 3.33Å; T14-I18 PolarHBondContact O-N 3.35Å; S16-I18 PolarHBondContact O-N 3.1Å; I18-D20 VanDerWaalsContact C-N 3.32Å; I18-D20 PolarHBondContact O-N 3.09Å; I18-F21 WeakPolarHBondContact O-CB 3.42Å; I18-F21 PolarHBondContact O-N 3.13Å; I18-L22 HydrophobicContact CG2-CD1 3.92Å; I18-L22 HydrophobicContact CG2-CG 4.23Å; I18-L22 WeakPolarHBondContact O-CB 3.33Å; I18-L22 VanDerWaalsContact O-CG 3.27Å; I18-L22 WeakPolarHBondContact O-CG 3.48Å; I18-L22 PolarHBondContact O-N 2.94Å; I18-F86 HydrophobicContact CG1-CE2 4.05Å |
| 19 | L | 79.1 | Confident | 73.3 | Confident | 117 Ų | 117 | 74.4 Ų | 74.4 | 61% | 0.613 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -64.1 | -39.6 | 179.4 | -73.3 | 172 | 0 | 0 | 0 | 111.5 | T15 S16 L22 R23 | T15-L19 WeakPolarHBondContact O-CB 3.5Å; T15-L19 WeakPolarHBondContact O-CG 3.37Å; T15-L19 PolarHBondContact O-N 2.9Å; S16-L19 PolarHBondContact O-N 3.49Å; L19-L22 PolarHBondContact O-N 2.93Å; L19-R23 PolarHBondContact O-N 2.97Å |
| 20 | D | 79.7 | Confident | 75.4 | Confident | 92 Ų | 92 | 71.4 Ų | 71.4 | 49% | 0.492 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 175.7 | -66.6 | -31.7 | 0 | 0 | 0 | 111.5 | S16 I18 R23 K24 | S16-D20 VanDerWaalsContact O-CG 3.24Å; S16-D20 PolarHBondContact O-N 3.37Å; S16-D20 VanDerWaalsContact O-OD2 3.11Å; I18-D20 VanDerWaalsContact C-N 3.32Å; I18-D20 PolarHBondContact O-N 3.09Å; D20-R23 WeakPolarHBondContact O-CB 3.13Å; D20-R23 PolarHBondContact O-N 3.32Å; D20-K24 PolarHBondContact O-N 3.02Å |
| 21 | F | 82 | Confident | 77.3 | Confident | 23 Ų | 23 | 72.2 Ų | 72.2 | 10% | 0.101 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 172.9 | 175.7 | -102.9 | 0 | 0 | 0 | 112.2 | N17 I18 R23 K24 S27 L82 D85 F86 | N17-F21 VanDerWaalsContact O-CB 3.28Å; N17-F21 WeakPolarHBondContact O-CB 3.47Å; N17-F21 PolarHBondContact O-N 3.05Å; I18-F21 WeakPolarHBondContact O-CB 3.42Å; I18-F21 PolarHBondContact O-N 3.13Å; F21-R23 PolarHBondContact O-N 3.29Å; F21-K24 VanDerWaalsContact O-CB 3.32Å; F21-K24 WeakPolarHBondContact O-CB 3.34Å; F21-K24 PolarHBondContact O-N 3.48Å; F21-S27 WeakPolarHBondContact CE1-OG 3.44Å; F21-S27 WeakPolarHBondContact CZ-OG 3.47Å; F21-S27 WeakPolarHBondContact O-CB 3.44Å; F21-L82 HydrophobicContact CE1-CD2 4.14Å; F21-L82 HydrophobicContact CZ-CD2 3.87Å; F21-D85 HydrophobicContact CE2-CB 3.76Å; F21-D85 HydrophobicContact CZ-CB 4.26Å; F21-F86 HydrophobicContact CB-CD2 4.43Å; F21-F86 HydrophobicContact CD1-CD2 4.38Å; F21-F86 HydrophobicContact CD2-CB 4.43Å; F21-F86 HydrophobicContact CD2-CD2 4.37Å; F21-F86 HydrophobicContact CE2-CB 4.13Å; F21-F86 HydrophobicContact CG-CD2 4.14Å; F21-F86 HydrophobicContact CZ-CB 4.28Å |
| 22 | L | 84 | Confident | 79.4 | Confident | 71 Ų | 71 | 67.7 Ų | 67.7 | 37% | 0.372 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65 | -19.5 | 178.3 | -69.2 | 177.5 | 0 | 0 | 0 | 113.1 | I18 L19 I28 L31 | I18-L22 HydrophobicContact CG2-CD1 3.92Å; I18-L22 HydrophobicContact CG2-CG 4.23Å; I18-L22 WeakPolarHBondContact O-CB 3.33Å; I18-L22 VanDerWaalsContact O-CG 3.27Å; I18-L22 WeakPolarHBondContact O-CG 3.48Å; I18-L22 PolarHBondContact O-N 2.94Å; L19-L22 PolarHBondContact O-N 2.93Å; L22-I28 WeakPolarHBondContact O-CG1 3.26Å; L22-L31 HydrophobicContact CD2-CD1 3.41Å; L22-L31 VanDerWaalsContact CD2-CD1 3.41Å |
| 23 | R | 85.7 | Confident | 81.4 | Confident | 204 Ų | 204 | 62.9 Ų | 62.9 | 77% | 0.77 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -80 | -18.5 | 174.8 | -153.9 | 173.9 | -159.6 | 153.7 | 4 | 112.9 | L19 D20 F21 | L19-R23 PolarHBondContact O-N 2.97Å; D20-R23 WeakPolarHBondContact O-CB 3.13Å; D20-R23 PolarHBondContact O-N 3.32Å; F21-R23 PolarHBondContact O-N 3.29Å |
| 24 | K | 86.5 | Confident | 83.4 | Confident | 77 Ų | 77 | 62.3 Ų | 62.3 | 34% | 0.335 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -65.2 | 124.6 | 176.6 | -62.7 | -177.3 | -179 | -177.7 | 0 | 108.4 | D20 F21 V26 S27 I28 D89 | D20-K24 PolarHBondContact O-N 3.02Å; F21-K24 VanDerWaalsContact O-CB 3.32Å; F21-K24 WeakPolarHBondContact O-CB 3.34Å; F21-K24 PolarHBondContact O-N 3.48Å; K24-V26 PolarHBondContact O-N 3.05Å; K24-V26 VanDerWaalsContact O-N 3.16Å; K24-S27 WeakPolarHBondContact O-CB 3.36Å; K24-S27 PolarHBondContact O-N 2.84Å; K24-I28 PolarHBondContact O-N 2.63Å; K24-D89 IonicContact NZ-OD1 3.23Å; K24-D89 IonicContact NZ-OD2 3.95Å; K24-D89 PolarHBondContact NZ-OD2 3.45Å |
| 25 | P | 89.6 | Confident | 85.4 | Confident | 74 Ų | 74 | 65 Ų | 65 | 48% | 0.481 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.7 | -34.6 | -175.2 | 21.8 | -33.1 | 0 | 0 | 0 | 112.6 | I28 L29 F167 | P25-I28 PolarHBondContact O-N 3.08Å; P25-L29 PolarHBondContact O-N 3.47Å; P25-L29 VanDerWaalsContact O-N 3.09Å; P25-F167 HydrophobicContact CB-CZ 4.18Å; P25-F167 HydrophobicContact CG-CE1 4.3Å; P25-F167 HydrophobicContact CG-CZ 4.31Å |
| 26 | V | 89.7 | Confident | 87.3 | Confident | 31 Ų | 31 | 62.6 Ų | 62.6 | 19% | 0.188 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 174.7 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | K24 I28 L29 R30 F167 | K24-V26 PolarHBondContact O-N 3.05Å; K24-V26 VanDerWaalsContact O-N 3.16Å; V26-I28 VanDerWaalsContact C-N 3.29Å; V26-I28 PolarHBondContact O-N 3.42Å; V26-L29 PolarHBondContact O-N 2.9Å; V26-R30 WeakPolarHBondContact O-CG 3.37Å; V26-R30 PolarHBondContact O-N 3.48Å; V26-F167 HydrophobicContact CG2-CB 3.38Å; V26-F167 HydrophobicContact CG2-CD1 4.06Å; V26-F167 HydrophobicContact CG2-CD2 3.96Å; V26-F167 HydrophobicContact CG2-CG 3.55Å |
| 27 | S | 90.4 | Very high | 88.9 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.014 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 177.8 | -176.4 | 0 | 0 | 0 | 0 | 111.4 | F21 K24 R30 L31 | F21-S27 WeakPolarHBondContact CE1-OG 3.44Å; F21-S27 WeakPolarHBondContact CZ-OG 3.47Å; F21-S27 WeakPolarHBondContact O-CB 3.44Å; K24-S27 WeakPolarHBondContact O-CB 3.36Å; K24-S27 PolarHBondContact O-N 2.84Å; S27-R30 PolarHBondContact O-N 2.98Å; S27-L31 WeakPolarHBondContact O-CG 3.31Å; S27-L31 PolarHBondContact O-N 2.92Å |
| 28 | I | 92.6 | Very high | 90 | Very high | 86 Ų | 86 | 58.1 Ų | 58.1 | 44% | 0.441 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.3 | -47.5 | 176.3 | -60.3 | 172.4 | 0 | 0 | 0 | 109.7 | L22 K24 P25 V26 R30 L31 V32 | L22-I28 WeakPolarHBondContact O-CG1 3.26Å; K24-I28 PolarHBondContact O-N 2.63Å; P25-I28 PolarHBondContact O-N 3.08Å; V26-I28 VanDerWaalsContact C-N 3.29Å; V26-I28 PolarHBondContact O-N 3.42Å; I28-R30 VanDerWaalsContact C-N 3.29Å; I28-R30 PolarHBondContact O-N 3.48Å; I28-L31 PolarHBondContact O-N 3.41Å; I28-V32 HydrophobicContact CG2-CG2 4.39Å; I28-V32 VanDerWaalsContact O-CG2 3.31Å; I28-V32 WeakPolarHBondContact O-CG2 3.48Å; I28-V32 PolarHBondContact O-N 3.43Å |
| 29 | L | 94.4 | Very high | 90.8 | Very high | 44 Ų | 44 | 58 Ų | 58 | 23% | 0.23 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.1 | -39.6 | 177.9 | -72.5 | 175.5 | 0 | 0 | 0 | 112.6 | P25 V26 V32 S33 I164 F167 | P25-L29 PolarHBondContact O-N 3.47Å; P25-L29 VanDerWaalsContact O-N 3.09Å; V26-L29 PolarHBondContact O-N 2.9Å; L29-V32 PolarHBondContact O-N 3.27Å; L29-S33 WeakPolarHBondContact O-CB 3.4Å; L29-S33 PolarHBondContact O-N 3.14Å; L29-I164 HydrophobicContact CB-CD1 4.26Å; L29-I164 HydrophobicContact CB-CG1 3.72Å; L29-I164 HydrophobicContact CD1-CG1 4.32Å; L29-F167 HydrophobicContact CD1-CD2 3.69Å; L29-F167 HydrophobicContact CD1-CE2 3.63Å |
| 30 | R | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 175.4 | -70.8 | -167.4 | -172.4 | -69.7 | -3.3 | 113.7 | V26 S27 I28 V32 S33 L34 E78 L82 D85 D104 I164 | V26-R30 WeakPolarHBondContact O-CG 3.37Å; V26-R30 PolarHBondContact O-N 3.48Å; S27-R30 PolarHBondContact O-N 2.98Å; I28-R30 VanDerWaalsContact C-N 3.29Å; I28-R30 PolarHBondContact O-N 3.48Å; R30-V32 VanDerWaalsContact C-N 3.32Å; R30-S33 WeakPolarHBondContact CA-OG 3.38Å; R30-S33 PolarHBondContact O-N 3.05Å; R30-S33 PolarHBondContact O-OG 2.97Å; R30-L34 PolarHBondContact O-N 3.43Å; R30-E78 VanDerWaalsContact CD-OE2 3.3Å; R30-E78 WeakPolarHBondContact CD-OE2 3.38Å; R30-E78 VanDerWaalsContact CG-OE2 3.27Å; R30-E78 WeakPolarHBondContact CG-OE2 3.39Å; R30-E78 IonicContact CZ-OE2 2.84Å; R30-E78 IonicContact NE-OE2 3.2Å; R30-E78 IonicContact NH1-OE1 2.86Å; R30-E78 IonicContact NH1-OE2 3.93Å; R30-E78 PolarHBondContact NH1-OE2 3.29Å; R30-L82 HydrophobicContact CB-CD1 4.43Å; R30-L82 HydrophobicContact CB-CD2 3.67Å; R30-L82 HydrophobicContact CB-CG 3.99Å; R30-L82 HydrophobicContact CG-CD2 4.43Å; R30-D85 IonicContact CZ-OD2 3.91Å; R30-D85 IonicContact NE-OD2 3.87Å; R30-D85 PolarHBondContact NE-OD2 2.92Å; R30-D85 IonicContact NH2-OD2 3.39Å; R30-D85 PolarHBondContact NH2-OD2 3.29Å; R30-D104 IonicContact CZ-OD1 3.01Å; R30-D104 IonicContact NH1-OD1 2.89Å; R30-D104 PolarHBondContact NH1-OD1 3.37Å; R30-D104 IonicContact NH2-OD1 3.4Å; R30-D104 PolarHBondContact NH2-OD1 2.99Å; R30-D104 IonicContact NH2-OD2 2.92Å; R30-D104 PolarHBondContact NH2-OD2 3.28Å; R30-I164 HydrophobicContact CG-CD1 4.33Å |
| 31 | L | 94.3 | Very high | 92.1 | Very high | 65 Ų | 65 | 50.2 Ų | 50.2 | 34% | 0.34 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.6 | -39.6 | 175.4 | -69.5 | 171.7 | 0 | 0 | 0 | 111 | L22 S27 I28 L34 L35 L82 | L22-L31 HydrophobicContact CD2-CD1 3.41Å; L22-L31 VanDerWaalsContact CD2-CD1 3.41Å; S27-L31 WeakPolarHBondContact O-CG 3.31Å; S27-L31 PolarHBondContact O-N 2.92Å; I28-L31 PolarHBondContact O-N 3.41Å; L31-L34 PolarHBondContact O-N 3.31Å; L31-L35 WeakPolarHBondContact O-CG 3.49Å; L31-L35 PolarHBondContact O-N 2.78Å; L31-L35 VanDerWaalsContact O-N 3.14Å; L31-L82 HydrophobicContact CD2-CD1 4.06Å; L31-L82 HydrophobicContact CD2-CD2 4.46Å |
| 32 | V | 95.6 | Very high | 92.7 | Very high | 57 Ų | 57 | 50.2 Ų | 50.2 | 35% | 0.345 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 174.3 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | I28 L29 R30 L34 L35 V36 I160 | I28-V32 HydrophobicContact CG2-CG2 4.39Å; I28-V32 VanDerWaalsContact O-CG2 3.31Å; I28-V32 WeakPolarHBondContact O-CG2 3.48Å; I28-V32 PolarHBondContact O-N 3.43Å; L29-V32 PolarHBondContact O-N 3.27Å; R30-V32 VanDerWaalsContact C-N 3.32Å; V32-L34 VanDerWaalsContact C-N 3.34Å; V32-L34 PolarHBondContact O-N 3.44Å; V32-L35 PolarHBondContact O-N 3.23Å; V32-V36 HydrophobicContact CG1-CG2 4.17Å; V32-V36 WeakPolarHBondContact O-CB 3.46Å; V32-V36 VanDerWaalsContact O-CG2 3.3Å; V32-V36 WeakPolarHBondContact O-CG2 3.42Å; V32-V36 PolarHBondContact O-N 3.25Å; V32-I160 HydrophobicContact CG1-CD1 3.72Å; V32-I160 HydrophobicContact CG1-CG1 4.39Å |
| 33 | S | 95.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.8 | -39.4 | 177.4 | 75.2 | 0 | 0 | 0 | 0 | 111.8 | L29 R30 S37 E78 | L29-S33 WeakPolarHBondContact O-CB 3.4Å; L29-S33 PolarHBondContact O-N 3.14Å; R30-S33 WeakPolarHBondContact CA-OG 3.38Å; R30-S33 PolarHBondContact O-N 3.05Å; R30-S33 PolarHBondContact O-OG 2.97Å; S33-S37 VanDerWaalsContact O-CB 3.26Å; S33-S37 WeakPolarHBondContact O-CB 3.32Å; S33-S37 PolarHBondContact O-N 2.91Å; S33-E78 WeakPolarHBondContact OG-CG 3.45Å; S33-E78 PolarHBondContact OG-OE1 2.86Å |
| 34 | L | 95.6 | Very high | 93.5 | Very high | 25 Ų | 25 | 37.6 Ų | 37.6 | 13% | 0.131 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58 | -51.1 | 171.9 | -82.3 | -178.1 | 0 | 0 | 0 | 111.9 | R30 L31 V32 S37 V38 F75 E78 I79 L82 | R30-L34 PolarHBondContact O-N 3.43Å; L31-L34 PolarHBondContact O-N 3.31Å; V32-L34 VanDerWaalsContact C-N 3.34Å; V32-L34 PolarHBondContact O-N 3.44Å; L34-S37 WeakPolarHBondContact O-CB 3.48Å; L34-S37 PolarHBondContact O-N 3.47Å; L34-V38 WeakPolarHBondContact O-CG2 3.34Å; L34-V38 PolarHBondContact O-N 3.28Å; L34-F75 HydrophobicContact CD2-CD2 3.61Å; L34-F75 HydrophobicContact CD2-CE2 4.12Å; L34-F75 HydrophobicContact CD2-CG 4.29Å; L34-F75 WeakPolarHBondContact CD2-O 3.45Å; L34-E78 HydrophobicContact CD2-CB 3.43Å; L34-E78 VanDerWaalsContact CD2-CB 3.43Å; L34-E78 HydrophobicContact CD2-CG 4.42Å; L34-E78 HydrophobicContact CG-CB 3.79Å; L34-I79 HydrophobicContact CD2-CG1 4.23Å; L34-L82 HydrophobicContact CD1-CD1 3.31Å; L34-L82 HydrophobicContact CG-CD1 4.16Å |
| 35 | L | 96.2 | Very high | 93.7 | Very high | 116 Ų | 116 | 37.2 Ų | 37.2 | 61% | 0.607 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -61.9 | -46.9 | -179.4 | -69.9 | 177.4 | 0 | 0 | 0 | 111.5 | L31 V32 S37 V38 I39 | L31-L35 WeakPolarHBondContact O-CG 3.49Å; L31-L35 PolarHBondContact O-N 2.78Å; L31-L35 VanDerWaalsContact O-N 3.14Å; V32-L35 PolarHBondContact O-N 3.23Å; L35-S37 VanDerWaalsContact C-N 3.3Å; L35-S37 PolarHBondContact O-N 3.46Å; L35-V38 PolarHBondContact O-N 3.02Å; L35-I39 VanDerWaalsContact O-CG1 3.27Å; L35-I39 WeakPolarHBondContact O-CG1 3.28Å; L35-I39 PolarHBondContact O-N 3.48Å |
| 36 | V | 95.3 | Very high | 93.7 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 4% | 0.036 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.2 | -40.6 | 178.6 | 174 | 0 | 0 | 0 | 0 | 110.9 | V32 V38 I39 V40 F153 L156 S157 I160 | V32-V36 HydrophobicContact CG1-CG2 4.17Å; V32-V36 WeakPolarHBondContact O-CB 3.46Å; V32-V36 VanDerWaalsContact O-CG2 3.3Å; V32-V36 WeakPolarHBondContact O-CG2 3.42Å; V32-V36 PolarHBondContact O-N 3.25Å; V36-V38 PolarHBondContact O-N 3.44Å; V36-I39 PolarHBondContact O-N 3.33Å; V36-V40 HydrophobicContact CG1-CG2 4.49Å; V36-V40 WeakPolarHBondContact O-CG2 3.27Å; V36-V40 PolarHBondContact O-N 2.9Å; V36-F153 HydrophobicContact CG1-CB 4.02Å; V36-F153 HydrophobicContact CG1-CD1 4.03Å; V36-F153 HydrophobicContact CG1-CG 4.48Å; V36-F153 WeakPolarHBondContact CG1-O 3.06Å; V36-F153 HydrophobicContact CG2-CD1 4.19Å; V36-L156 HydrophobicContact CG2-CD2 4.18Å; V36-S157 WeakPolarHBondContact CG1-OG 3.48Å; V36-I160 HydrophobicContact CB-CD1 4.34Å; V36-I160 HydrophobicContact CG2-CD1 3.76Å |
| 37 | S | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.2 | -47.5 | 176.1 | -170.9 | 0 | 0 | 0 | 0 | 112 | S33 L34 L35 I39 V40 F41 G71 | S33-S37 VanDerWaalsContact O-CB 3.26Å; S33-S37 WeakPolarHBondContact O-CB 3.32Å; S33-S37 PolarHBondContact O-N 2.91Å; L34-S37 WeakPolarHBondContact O-CB 3.48Å; L34-S37 PolarHBondContact O-N 3.47Å; L35-S37 VanDerWaalsContact C-N 3.3Å; L35-S37 PolarHBondContact O-N 3.46Å; S37-I39 VanDerWaalsContact C-N 3.31Å; S37-I39 PolarHBondContact O-N 3.25Å; S37-V40 PolarHBondContact O-N 2.94Å; S37-F41 WeakPolarHBondContact O-CD1 3.45Å; S37-F41 PolarHBondContact O-N 3.36Å; S37-G71 WeakPolarHBondContact OG-CA 3.5Å; S37-G71 PolarHBondContact OG-O 2.72Å |
| 38 | V | 95.6 | Very high | 93 | Very high | 60 Ų | 60 | 35.9 Ų | 35.9 | 36% | 0.364 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.3 | -42.9 | 175.8 | 174.1 | 0 | 0 | 0 | 0 | 111.9 | L34 L35 V36 F41 G42 F75 | L34-V38 WeakPolarHBondContact O-CG2 3.34Å; L34-V38 PolarHBondContact O-N 3.28Å; L35-V38 PolarHBondContact O-N 3.02Å; V36-V38 PolarHBondContact O-N 3.44Å; V38-F41 HydrophobicContact CB-CE1 4.09Å; V38-F41 HydrophobicContact CB-CZ 4.15Å; V38-F41 HydrophobicContact CG1-CZ 4.23Å; V38-F41 HydrophobicContact CG2-CE1 3.79Å; V38-F41 HydrophobicContact CG2-CZ 3.87Å; V38-G42 WeakPolarHBondContact O-CA 3.35Å; V38-G42 PolarHBondContact O-N 3.48Å; V38-F75 HydrophobicContact CG2-CD2 3.71Å; V38-F75 HydrophobicContact CG2-CE2 3.85Å |
| 39 | I | 95.1 | Very high | 92.7 | Very high | 67 Ų | 67 | 34.7 Ų | 34.7 | 34% | 0.344 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.4 | -44.2 | 178 | -65.4 | 162.8 | 0 | 0 | 0 | 110.8 | L35 V36 S37 S43 F153 | L35-I39 VanDerWaalsContact O-CG1 3.27Å; L35-I39 WeakPolarHBondContact O-CG1 3.28Å; L35-I39 PolarHBondContact O-N 3.48Å; V36-I39 PolarHBondContact O-N 3.33Å; S37-I39 VanDerWaalsContact C-N 3.31Å; S37-I39 PolarHBondContact O-N 3.25Å; I39-S43 WeakPolarHBondContact O-CB 3.25Å; I39-S43 PolarHBondContact O-N 2.76Å; I39-S43 PolarHBondContact O-OG 3.01Å; I39-F153 HydrophobicContact CB-CD2 4.44Å; I39-F153 HydrophobicContact CD1-CD1 4.45Å; I39-F153 HydrophobicContact CD1-CE1 3.96Å; I39-F153 HydrophobicContact CD1-CZ 4.07Å; I39-F153 HydrophobicContact CG2-CD1 4.36Å; I39-F153 HydrophobicContact CG2-CD2 3.37Å; I39-F153 HydrophobicContact CG2-CE1 4.42Å; I39-F153 HydrophobicContact CG2-CE2 3.49Å; I39-F153 VanDerWaalsContact CG2-CE2 3.49Å; I39-F153 HydrophobicContact CG2-CG 3.87Å; I39-F153 HydrophobicContact CG2-CZ 4.02Å |
| 40 | V | 93.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.9 | -56.6 | -179.6 | 178.5 | 0 | 0 | 0 | 0 | 112 | V36 S37 G42 S43 I44 W115 F153 | V36-V40 HydrophobicContact CG1-CG2 4.49Å; V36-V40 WeakPolarHBondContact O-CG2 3.27Å; V36-V40 PolarHBondContact O-N 2.9Å; S37-V40 PolarHBondContact O-N 2.94Å; V40-G42 PolarHBondContact O-N 3.37Å; V40-S43 PolarHBondContact O-N 2.89Å; V40-S43 PolarHBondContact O-OG 3.08Å; V40-I44 HydrophobicContact CG1-CD1 3.77Å; V40-I44 WeakPolarHBondContact O-CG1 3.31Å; V40-I44 PolarHBondContact O-N 2.88Å; V40-I44 VanDerWaalsContact O-N 3.09Å; V40-W115 HydrophobicContact CB-CH2 3.71Å; V40-W115 HydrophobicContact CB-CZ3 4.13Å; V40-W115 HydrophobicContact CG1-CH2 3.65Å; V40-W115 HydrophobicContact CG1-CZ3 3.7Å; V40-W115 HydrophobicContact CG2-CH2 3.85Å; V40-W115 HydrophobicContact CG2-CZ3 4.02Å; V40-F153 HydrophobicContact CG2-CB 3.42Å; V40-F153 VanDerWaalsContact CG2-CB 3.42Å |
| 41 | F | 93.5 | Very high | 91.5 | Very high | 45 Ų | 45 | 40.6 Ų | 40.6 | 20% | 0.197 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.6 | -32.2 | -177.3 | 75.5 | -111.8 | 0 | 0 | 0 | 111.1 | S37 V38 S45 V68 V72 F75 | S37-F41 WeakPolarHBondContact O-CD1 3.45Å; S37-F41 PolarHBondContact O-N 3.36Å; V38-F41 HydrophobicContact CB-CE1 4.09Å; V38-F41 HydrophobicContact CB-CZ 4.15Å; V38-F41 HydrophobicContact CG1-CZ 4.23Å; V38-F41 HydrophobicContact CG2-CE1 3.79Å; V38-F41 HydrophobicContact CG2-CZ 3.87Å; F41-S45 WeakPolarHBondContact O-CB 3.42Å; F41-S45 PolarHBondContact O-N 2.92Å; F41-S45 PolarHBondContact O-OG 2.93Å; F41-V68 HydrophobicContact CB-CG1 4.49Å; F41-V72 HydrophobicContact CB-CG2 4.45Å; F41-V72 HydrophobicContact CD1-CG2 4.47Å; F41-V72 HydrophobicContact CD2-CG2 4.49Å; F41-V72 HydrophobicContact CG-CG2 4.25Å; F41-F75 HydrophobicContact CE1-CB 4.22Å; F41-F75 HydrophobicContact CE1-CG 4.43Å |
| 42 | G | 94.2 | Very high | 90.9 | Very high | 24 Ų | 24 | 44.5 Ų | 44.5 | 25% | 0.247 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.7 | -47.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V38 V40 I44 S45 S46 | V38-G42 WeakPolarHBondContact O-CA 3.35Å; V38-G42 PolarHBondContact O-N 3.48Å; V40-G42 PolarHBondContact O-N 3.37Å; G42-I44 VanDerWaalsContact C-N 3.33Å; G42-I44 PolarHBondContact O-N 3.28Å; G42-S45 PolarHBondContact O-N 2.95Å; G42-S46 VanDerWaalsContact O-CB 3.29Å; G42-S46 WeakPolarHBondContact O-CB 3.12Å; G42-S46 PolarHBondContact O-N 3.19Å; G42-S46 PolarHBondContact O-OG 3.36Å |
| 43 | S | 93.2 | Very high | 90.3 | Very high | 10 Ų | 10 | 44.2 Ų | 44.2 | 7% | 0.07 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 177.1 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | I39 V40 G47 | I39-S43 WeakPolarHBondContact O-CB 3.25Å; I39-S43 PolarHBondContact O-N 2.76Å; I39-S43 PolarHBondContact O-OG 3.01Å; V40-S43 PolarHBondContact O-N 2.89Å; V40-S43 PolarHBondContact O-OG 3.08Å; S43-G47 PolarHBondContact O-N 3.22Å |
| 44 | I | 92.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.4 | -49.3 | 178.2 | -60.9 | 171.8 | 0 | 0 | 0 | 111.1 | V40 G42 S46 C48 C64 P67 V68 L122 A150 | V40-I44 HydrophobicContact CG1-CD1 3.77Å; V40-I44 WeakPolarHBondContact O-CG1 3.31Å; V40-I44 PolarHBondContact O-N 2.88Å; V40-I44 VanDerWaalsContact O-N 3.09Å; G42-I44 VanDerWaalsContact C-N 3.33Å; G42-I44 PolarHBondContact O-N 3.28Å; I44-S46 VanDerWaalsContact C-N 3.34Å; I44-S46 PolarHBondContact O-N 3.05Å; I44-C48 HydrophobicContact CB-CB 4.34Å; I44-C48 HydrophobicContact CG2-CB 3.95Å; I44-C48 WeakPolarHBondContact O-CB 3.31Å; I44-C48 PolarHBondContact O-N 3.47Å; I44-C64 HydrophobicContact CG2-CB 3.78Å; I44-P67 HydrophobicContact CD1-CB 3.62Å; I44-P67 HydrophobicContact CD1-CG 4.25Å; I44-V68 HydrophobicContact CB-CG2 3.66Å; I44-V68 HydrophobicContact CG2-CG2 3.42Å; I44-V68 VanDerWaalsContact CG2-CG2 3.42Å; I44-L122 HydrophobicContact CD1-CD1 4.47Å; I44-A150 HydrophobicContact CD1-CB 4.03Å; I44-A150 HydrophobicContact CG1-CB 3.68Å |
| 45 | S | 91.8 | Very high | 89.5 | Confident | 68 Ų | 68 | 45.3 Ų | 45.3 | 48% | 0.476 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.9 | -35 | -176.6 | -54.9 | 0 | 0 | 0 | 0 | 113 | F41 G42 | F41-S45 WeakPolarHBondContact O-CB 3.42Å; F41-S45 PolarHBondContact O-N 2.92Å; F41-S45 PolarHBondContact O-OG 2.93Å; G42-S45 PolarHBondContact O-N 2.95Å |
| 46 | S | 88.8 | Confident | 89.1 | Confident | 79 Ų | 79 | 39.8 Ų | 39.8 | 55% | 0.552 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -88.7 | -31.6 | -177.7 | 62.3 | 0 | 0 | 0 | 0 | 114 | G42 I44 W142 | G42-S46 VanDerWaalsContact O-CB 3.29Å; G42-S46 WeakPolarHBondContact O-CB 3.12Å; G42-S46 PolarHBondContact O-N 3.19Å; G42-S46 PolarHBondContact O-OG 3.36Å; I44-S46 VanDerWaalsContact C-N 3.34Å; I44-S46 PolarHBondContact O-N 3.05Å; S46-W142 WeakPolarHBondContact O-CH2 3.33Å |
| 47 | G | 81.7 | Confident | 88.6 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -125.7 | -17.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | S43 H49 I56 W142 Q143 | S43-G47 PolarHBondContact O-N 3.22Å; G47-H49 VanDerWaalsContact C-N 3.27Å; G47-H49 PolarHBondContact O-N 3.39Å; G47-I56 WeakPolarHBondContact O-CD1 3.36Å; G47-W142 VanDerWaalsContact CA-CZ3 3.4Å; G47-Q143 VanDerWaalsContact O-CB 3.3Å; G47-Q143 WeakPolarHBondContact O-CB 3.46Å; G47-Q143 WeakPolarHBondContact O-CG 3.34Å; G47-Q143 PolarHBondContact O-NE2 2.92Å |
| 48 | C | 84.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -91.3 | 21.1 | -172.4 | -64.1 | 0 | 0 | 0 | 0 | 114.3 | I44 C55 I56 F57 C64 | I44-C48 HydrophobicContact CB-CB 4.34Å; I44-C48 HydrophobicContact CG2-CB 3.95Å; I44-C48 WeakPolarHBondContact O-CB 3.31Å; I44-C48 PolarHBondContact O-N 3.47Å; C48-C55 WeakPolarHBondContact O-CA 3.4Å; C48-I56 WeakPolarHBondContact O-CG1 3.26Å; C48-I56 PolarHBondContact O-N 3.39Å; C48-F57 HydrophobicContact CB-CD2 4.46Å; C48-F57 HydrophobicContact CB-CE2 4.14Å; C48-C64 PolarHBondContact O-SG 3.27Å; C48-C64 VanDerWaalsContact O-SG 3.37Å |
| 49 | H | 86.3 | Confident | 86.4 | Confident | 61 Ų | 61 | 41.5 Ų | 41.5 | 28% | 0.282 | 25% | 0.245 | S | C | . | . | B | Isolated β-bridge | trans | -122.9 | 133.5 | 175.1 | -67.1 | -88.6 | 0 | 0 | 0 | 111 | G47 G53 I54 Q143 | G47-H49 VanDerWaalsContact C-N 3.27Å; G47-H49 PolarHBondContact O-N 3.39Å; H49-G53 PolarHBondContact ND1-O 3.02Å; H49-I54 CarbonylContact C-O 3.54Å; H49-I54 WeakPolarHBondContact CA-O 3.3Å; H49-Q143 PolarHBondContact O-NE2 3.3Å |
| 50 | T | 83.3 | Confident | 85.7 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 5% | 0.049 | 24% | 0.242 | C | C | . | . | trans | -67.5 | 168.8 | 171.6 | 70.2 | 0 | 0 | 0 | 0 | 110.5 | Q52 G53 I54 I56 W133 H137 V139 | T50-Q52 PolarHBondContact O-N 2.85Å; T50-Q52 PolarHBondContact OG1-N 3.47Å; T50-G53 PolarHBondContact O-N 3.39Å; T50-I54 HydrophobicContact CG2-CB 4.36Å; T50-I54 PolarHBondContact N-O 2.93Å; T50-I54 WeakPolarHBondContact OG1-CB 3.44Å; T50-I54 PolarHBondContact OG1-N 3.29Å; T50-I56 HydrophobicContact CG2-CG1 4.33Å; T50-W133 HydrophobicContact CG2-CH2 4.07Å; T50-H137 HydrophobicContact CG2-CB 3.87Å; T50-V139 HydrophobicContact CG2-CG2 4.2Å | ||
| 51 | H | 79.5 | Confident | 85.1 | Confident | 160 Ų | 160 | 44.1 Ų | 44.1 | 74% | 0.741 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -20.3 | 172.6 | -72.4 | -70.6 | 0 | 0 | 0 | 114 | G53 | H51-G53 VanDerWaalsContact C-N 3.35Š|
| 52 | Q | 80.9 | Confident | 84.6 | Confident | 147 Ų | 147 | 45.9 Ų | 45.9 | 69% | 0.687 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 4.9 | 176.4 | -63.5 | 174.4 | -18.3 | 0 | 0 | 113 | T50 I54 | T50-Q52 PolarHBondContact O-N 2.85Å; T50-Q52 PolarHBondContact OG1-N 3.47Å; Q52-I54 VanDerWaalsContact C-N 3.28Å; Q52-I54 HydrophobicContact CB-CD1 4.14Å; Q52-I54 HydrophobicContact CB-CG1 4.16Å; Q52-I54 PolarHBondContact O-N 2.87Å |
| 53 | G | 83.2 | Confident | 84.3 | Confident | 51 Ų | 51 | 45 Ų | 45 | 53% | 0.526 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 78.3 | 6.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | H49 T50 H51 | H49-G53 PolarHBondContact ND1-O 3.02Å; T50-G53 PolarHBondContact O-N 3.39Å; H51-G53 VanDerWaalsContact C-N 3.35Å |
| 54 | I | 85.4 | Confident | 84.2 | Confident | 47 Ų | 47 | 44.5 Ų | 44.5 | 24% | 0.241 | 27% | 0.272 | C | S | . | . | trans | -79.1 | 132.8 | -177.4 | -56.2 | 172.5 | 0 | 0 | 0 | 109.3 | H49 T50 Q52 I56 T59 W133 | H49-I54 CarbonylContact C-O 3.54Å; H49-I54 WeakPolarHBondContact CA-O 3.3Å; T50-I54 HydrophobicContact CG2-CB 4.36Å; T50-I54 PolarHBondContact N-O 2.93Å; T50-I54 WeakPolarHBondContact OG1-CB 3.44Å; T50-I54 PolarHBondContact OG1-N 3.29Å; Q52-I54 VanDerWaalsContact C-N 3.28Å; Q52-I54 HydrophobicContact CB-CD1 4.14Å; Q52-I54 HydrophobicContact CB-CG1 4.16Å; Q52-I54 PolarHBondContact O-N 2.87Å; I54-I56 PolarHBondContact O-N 3.33Å; I54-T59 HydrophobicContact CG2-CG2 4.06Å; I54-W133 HydrophobicContact CG2-CH2 4.44Å; I54-W133 HydrophobicContact CG2-CZ2 4.03Å | ||
| 55 | C | 89.8 | Confident | 84.2 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.014 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -64.9 | 128.4 | 175.7 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | C48 F57 T59 C64 | C48-C55 WeakPolarHBondContact O-CA 3.4Å; C55-F57 PolarHBondContact O-N 3.11Å; C55-T59 PolarHBondContact O-N 3.43Å; C55-C64 HydrophobicContact CB-CB 3.88Å; C55-C64 WeakPolarHBondContact CB-SG 3.07Å; C55-C64 WeakPolarHBondContact SG-CB 3.32Å; C55-C64 PolarHBondContact SG-N 2.92Å; C55-C64 CovalentContact SG-SG 2.03Å; C55-C64 PolarHBondContact SG-SG 3.5Å |
| 56 | I | 88.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -27.6 | -179.5 | -63.7 | 178.4 | 0 | 0 | 0 | 111.5 | G47 C48 T50 I54 G58 W126 W133 L134 V139 Q143 | G47-I56 WeakPolarHBondContact O-CD1 3.36Å; C48-I56 WeakPolarHBondContact O-CG1 3.26Å; C48-I56 PolarHBondContact O-N 3.39Å; T50-I56 HydrophobicContact CG2-CG1 4.33Å; I54-I56 PolarHBondContact O-N 3.33Å; I56-G58 PolarHBondContact O-N 2.88Å; I56-W126 HydrophobicContact CG2-CZ3 3.78Å; I56-W133 HydrophobicContact CG2-CZ3 4.36Å; I56-L134 HydrophobicContact CG2-CD2 3.9Å; I56-V139 HydrophobicContact CD1-CG1 3.81Å; I56-V139 HydrophobicContact CD1-CG2 4.37Å; I56-V139 HydrophobicContact CG1-CG2 4.38Å; I56-Q143 HydrophobicContact CD1-CB 3.68Å; I56-Q143 HydrophobicContact CD1-CG 4.47Å |
| 57 | F | 84.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 68.4 | 175.6 | -65.2 | -77 | 0 | 0 | 0 | 112.3 | C48 C55 T60 A63 L122 K125 W126 A147 I151 | C48-F57 HydrophobicContact CB-CD2 4.46Å; C48-F57 HydrophobicContact CB-CE2 4.14Å; C55-F57 PolarHBondContact O-N 3.11Å; F57-T60 PolarHBondContact O-OG1 3.38Å; F57-A63 HydrophobicContact CB-CB 3.63Å; F57-L122 HydrophobicContact CD1-CB 4.49Å; F57-L122 HydrophobicContact CD1-CD2 3.89Å; F57-L122 HydrophobicContact CD2-CD2 3.61Å; F57-L122 HydrophobicContact CE1-CB 4.15Å; F57-L122 HydrophobicContact CE1-CD2 3.75Å; F57-L122 HydrophobicContact CE2-CD2 3.48Å; F57-L122 VanDerWaalsContact CE2-CD2 3.48Å; F57-L122 HydrophobicContact CG-CD2 3.81Å; F57-L122 HydrophobicContact CZ-CD2 3.56Å; F57-K125 HydrophobicContact CB-CB 3.73Å; F57-K125 HydrophobicContact CB-CG 4.41Å; F57-K125 HydrophobicContact CD1-CB 4.19Å; F57-K125 HydrophobicContact CG-CB 4.46Å; F57-W126 HydrophobicContact CD1-CB 4.15Å; F57-W126 HydrophobicContact CD1-CE3 4.15Å; F57-W126 HydrophobicContact CE1-CB 4.01Å; F57-W126 HydrophobicContact CE1-CD2 4.37Å; F57-W126 AromaticContact CE1-CE3 3.77Å; F57-W126 HydrophobicContact CE1-CE3 3.77Å; F57-W126 HydrophobicContact CE1-CG 4.5Å; F57-W126 HydrophobicContact CZ-CE3 4.41Å; F57-A147 HydrophobicContact CE1-CB 4.28Å; F57-A147 HydrophobicContact CE2-CB 4.14Å; F57-A147 HydrophobicContact CZ-CB 3.64Å; F57-I151 HydrophobicContact CE1-CD1 4.07Å; F57-I151 HydrophobicContact CE1-CG1 4.08Å; F57-I151 HydrophobicContact CZ-CG1 4.36Å |
| 58 | G | 72.2 | Confident | 85.1 | Confident | 23 Ų | 23 | 46.4 Ų | 46.4 | 24% | 0.237 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 39.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | I56 T60 | I56-G58 PolarHBondContact O-N 2.88Å; G58-T60 PolarHBondContact O-N 3.02Å |
| 59 | T | 71 | Confident | 85.7 | Confident | 80 Ų | 80 | 48.3 Ų | 48.3 | 49% | 0.491 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | -15 | 174.5 | 69.6 | 0 | 0 | 0 | 0 | 117.1 | I54 C55 S61 W133 | I54-T59 HydrophobicContact CG2-CG2 4.06Å; C55-T59 PolarHBondContact O-N 3.43Å; T59-S61 PolarHBondContact O-N 3.07Å; T59-W133 HydrophobicContact CG2-CZ2 3.76Å |
| 60 | T | 80.4 | Confident | 86.1 | Confident | 44 Ų | 44 | 45.8 Ų | 45.8 | 27% | 0.27 | 28% | 0.276 | S | S | . | . | trans | -77.1 | 114.8 | 179.7 | 48.5 | 0 | 0 | 0 | 0 | 110.6 | F57 G58 S62 A63 K125 | F57-T60 PolarHBondContact O-OG1 3.38Å; G58-T60 PolarHBondContact O-N 3.02Å; T60-S62 PolarHBondContact O-N 3.46Å; T60-S62 VanDerWaalsContact O-N 3.11Å; T60-A63 WeakPolarHBondContact O-CB 3.36Å; T60-A63 PolarHBondContact O-N 3.01Å; T60-K125 VanDerWaalsContact OG1-CE 3.29Å; T60-K125 WeakPolarHBondContact OG1-CE 3.37Å; T60-K125 PolarHBondContact OG1-NZ 3.41Å | ||
| 61 | S | 81.8 | Confident | 86.7 | Confident | 77 Ų | 77 | 45.4 Ų | 45.4 | 54% | 0.538 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -56 | -30.4 | 178.5 | -48.7 | 0 | 0 | 0 | 0 | 113 | T59 A63 C64 N65 | T59-S61 PolarHBondContact O-N 3.07Å; S61-A63 VanDerWaalsContact C-N 3.25Å; S61-A63 PolarHBondContact O-N 3.41Å; S61-C64 PolarHBondContact O-N 2.94Å; S61-N65 WeakPolarHBondContact O-CB 3.22Å; S61-N65 PolarHBondContact O-N 3.08Å; S61-N65 PolarHBondContact O-ND2 3.1Å |
| 62 | S | 83.5 | Confident | 87.5 | Confident | 82 Ų | 82 | 40.5 Ų | 40.5 | 57% | 0.573 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -61.8 | -29.3 | 177.1 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | T60 C64 L66 | T60-S62 PolarHBondContact O-N 3.46Å; T60-S62 VanDerWaalsContact O-N 3.11Å; S62-C64 PolarHBondContact O-N 3.36Å; S62-L66 WeakPolarHBondContact O-CB 3.2Å; S62-L66 PolarHBondContact O-N 3.43Å |
| 63 | A | 87.8 | Confident | 88.3 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.8 | -34.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F57 T60 S61 P67 K125 | F57-A63 HydrophobicContact CB-CB 3.63Å; T60-A63 WeakPolarHBondContact O-CB 3.36Å; T60-A63 PolarHBondContact O-N 3.01Å; S61-A63 VanDerWaalsContact C-N 3.25Å; S61-A63 PolarHBondContact O-N 3.41Å; A63-P67 WeakPolarHBondContact O-CD 3.1Å; A63-P67 WeakPolarHBondContact O-CG 3.23Å; A63-K125 HydrophobicContact CB-CG 4.11Å |
| 64 | C | 91.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -85.9 | -41.6 | 173.8 | -70.5 | 0 | 0 | 0 | 0 | 111.6 | I44 C48 C55 S61 S62 P67 V68 | I44-C64 HydrophobicContact CG2-CB 3.78Å; C48-C64 PolarHBondContact O-SG 3.27Å; C48-C64 VanDerWaalsContact O-SG 3.37Å; C55-C64 HydrophobicContact CB-CB 3.88Å; C55-C64 WeakPolarHBondContact CB-SG 3.07Å; C55-C64 WeakPolarHBondContact SG-CB 3.32Å; C55-C64 PolarHBondContact SG-N 2.92Å; C55-C64 CovalentContact SG-SG 2.03Å; C55-C64 PolarHBondContact SG-SG 3.5Å; S61-C64 PolarHBondContact O-N 2.94Å; S62-C64 PolarHBondContact O-N 3.36Å; C64-P67 WeakPolarHBondContact O-CD 3.44Å; C64-V68 WeakPolarHBondContact O-CG2 3.44Å; C64-V68 PolarHBondContact O-N 3.45Å |
| 65 | N | 92.8 | Very high | 89.3 | Confident | 91 Ų | 91 | 38.1 Ų | 38.1 | 49% | 0.487 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -70.1 | -37.1 | -173 | -68.9 | -15.1 | 0 | 0 | 0 | 113.2 | S61 V68 A69 | S61-N65 WeakPolarHBondContact O-CB 3.22Å; S61-N65 PolarHBondContact O-N 3.08Å; S61-N65 PolarHBondContact O-ND2 3.1Å; N65-V68 PolarHBondContact O-N 2.9Å; N65-A69 WeakPolarHBondContact O-CB 3.28Å; N65-A69 PolarHBondContact O-N 3.34Å |
| 66 | L | 92.9 | Very high | 89.6 | Confident | 66 Ų | 66 | 42.6 Ų | 42.6 | 35% | 0.346 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.2 | -52.8 | -176.1 | 174.7 | 73.7 | 0 | 0 | 0 | 112.1 | S62 V68 A69 I70 L121 | S62-L66 WeakPolarHBondContact O-CB 3.2Å; S62-L66 PolarHBondContact O-N 3.43Å; L66-V68 VanDerWaalsContact C-N 3.29Å; L66-V68 PolarHBondContact O-N 2.83Å; L66-A69 PolarHBondContact O-N 3.44Å; L66-I70 HydrophobicContact CD1-CD1 3.86Å; L66-I70 HydrophobicContact CD1-CG1 4.4Å; L66-I70 HydrophobicContact CD2-CD1 4.47Å; L66-I70 HydrophobicContact CG-CD1 3.76Å; L66-I70 WeakPolarHBondContact O-CG1 3.27Å; L66-I70 PolarHBondContact O-N 2.84Å; L66-L121 HydrophobicContact CD2-CD1 3.41Å; L66-L121 VanDerWaalsContact CD2-CD1 3.41Å |
| 67 | P | 93 | Very high | 89.9 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.8 | -30.4 | 178.6 | -20.3 | 34.4 | 0 | 0 | 0 | 112.9 | I44 A63 C64 I70 G71 L122 | I44-P67 HydrophobicContact CD1-CB 3.62Å; I44-P67 HydrophobicContact CD1-CG 4.25Å; A63-P67 WeakPolarHBondContact O-CD 3.1Å; A63-P67 WeakPolarHBondContact O-CG 3.23Å; C64-P67 WeakPolarHBondContact O-CD 3.44Å; P67-I70 PolarHBondContact O-N 2.71Å; P67-G71 PolarHBondContact O-N 2.86Å; P67-L122 HydrophobicContact CB-CD1 4.22Å; P67-L122 HydrophobicContact CG-CD1 3.92Å; P67-L122 HydrophobicContact CG-CD2 4.07Å; P67-L122 HydrophobicContact CG-CG 3.99Å |
| 68 | V | 95 | Very high | 90.4 | Very high | 30 Ų | 30 | 43.1 Ų | 43.1 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.4 | -49.4 | 171.8 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | F41 I44 C64 N65 L66 I70 G71 V72 | F41-V68 HydrophobicContact CB-CG1 4.49Å; I44-V68 HydrophobicContact CB-CG2 3.66Å; I44-V68 HydrophobicContact CG2-CG2 3.42Å; I44-V68 VanDerWaalsContact CG2-CG2 3.42Å; C64-V68 WeakPolarHBondContact O-CG2 3.44Å; C64-V68 PolarHBondContact O-N 3.45Å; N65-V68 PolarHBondContact O-N 2.9Å; L66-V68 VanDerWaalsContact C-N 3.29Å; L66-V68 PolarHBondContact O-N 2.83Å; V68-I70 PolarHBondContact O-N 3.2Å; V68-G71 PolarHBondContact O-N 3.13Å; V68-V72 HydrophobicContact CG1-CG2 4.43Å; V68-V72 WeakPolarHBondContact O-CG2 3.47Å; V68-V72 PolarHBondContact O-N 3.19Å |
| 69 | A | 95.9 | Very high | 91.4 | Very high | 40 Ų | 40 | 45.5 Ų | 45.5 | 33% | 0.331 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | N65 L66 G71 V72 F73 | N65-A69 WeakPolarHBondContact O-CB 3.28Å; N65-A69 PolarHBondContact O-N 3.34Å; L66-A69 PolarHBondContact O-N 3.44Å; A69-G71 VanDerWaalsContact C-N 3.3Å; A69-G71 PolarHBondContact O-N 2.79Å; A69-V72 PolarHBondContact O-N 3.25Å; A69-F73 HydrophobicContact CB-CD2 4.44Å; A69-F73 HydrophobicContact CB-CE2 4.44Å; A69-F73 WeakPolarHBondContact O-CD2 3.31Å; A69-F73 PolarHBondContact O-N 3.38Å |
| 70 | I | 96.3 | Very high | 92.5 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.1 | -43.6 | 177.8 | -69.4 | 162.9 | 0 | 0 | 0 | 110.9 | L66 P67 V68 A74 W111 L114 W115 S118 | L66-I70 HydrophobicContact CD1-CD1 3.86Å; L66-I70 HydrophobicContact CD1-CG1 4.4Å; L66-I70 HydrophobicContact CD2-CD1 4.47Å; L66-I70 HydrophobicContact CG-CD1 3.76Å; L66-I70 WeakPolarHBondContact O-CG1 3.27Å; L66-I70 PolarHBondContact O-N 2.84Å; P67-I70 PolarHBondContact O-N 2.71Å; V68-I70 PolarHBondContact O-N 3.2Å; I70-A74 VanDerWaalsContact O-CB 3.28Å; I70-A74 WeakPolarHBondContact O-CB 3.31Å; I70-A74 PolarHBondContact O-N 2.88Å; I70-W111 PolarHBondContact O-NE1 2.92Å; I70-L114 HydrophobicContact CD1-CB 3.9Å; I70-L114 HydrophobicContact CD1-CD2 4.39Å; I70-L114 HydrophobicContact CG1-CB 4.18Å; I70-L114 HydrophobicContact CG1-CD1 4.38Å; I70-L114 HydrophobicContact CG2-CB 4.14Å; I70-W115 HydrophobicContact CG2-CD2 4.18Å; I70-W115 HydrophobicContact CG2-CZ2 4.15Å; I70-S118 WeakPolarHBondContact CD1-OG 3.38Å |
| 71 | G | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.7 | -49.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S37 P67 V68 A69 F73 A74 F75 | S37-G71 WeakPolarHBondContact OG-CA 3.5Å; S37-G71 PolarHBondContact OG-O 2.72Å; P67-G71 PolarHBondContact O-N 2.86Å; V68-G71 PolarHBondContact O-N 3.13Å; A69-G71 VanDerWaalsContact C-N 3.3Å; A69-G71 PolarHBondContact O-N 2.79Å; G71-F73 PolarHBondContact O-N 2.98Å; G71-A74 WeakPolarHBondContact O-CB 3.34Å; G71-A74 PolarHBondContact O-N 3.02Å; G71-F75 WeakPolarHBondContact O-CB 3.35Å; G71-F75 PolarHBondContact O-N 3.46Å |
| 72 | V | 96.5 | Very high | 93.5 | Very high | 56 Ų | 56 | 44.1 Ų | 44.1 | 34% | 0.339 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.5 | -46.8 | 179.1 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | F41 V68 A69 F75 L76 | F41-V72 HydrophobicContact CB-CG2 4.45Å; F41-V72 HydrophobicContact CD1-CG2 4.47Å; F41-V72 HydrophobicContact CD2-CG2 4.49Å; F41-V72 HydrophobicContact CG-CG2 4.25Å; V68-V72 HydrophobicContact CG1-CG2 4.43Å; V68-V72 WeakPolarHBondContact O-CG2 3.47Å; V68-V72 PolarHBondContact O-N 3.19Å; A69-V72 PolarHBondContact O-N 3.25Å; V72-F75 PolarHBondContact O-N 3.07Å; V72-L76 HydrophobicContact CG1-CD1 4.32Å; V72-L76 WeakPolarHBondContact O-CG 3.27Å; V72-L76 PolarHBondContact O-N 3.37Å; V72-L76 VanDerWaalsContact O-N 3.08Å |
| 73 | F | 96.5 | Very high | 93.7 | Very high | 126 Ų | 126 | 44 Ų | 44 | 55% | 0.553 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -69.4 | -32.7 | 177.8 | -72.8 | -61.8 | 0 | 0 | 0 | 112.5 | A69 G71 G77 W111 | A69-F73 HydrophobicContact CB-CD2 4.44Å; A69-F73 HydrophobicContact CB-CE2 4.44Å; A69-F73 WeakPolarHBondContact O-CD2 3.31Å; A69-F73 PolarHBondContact O-N 3.38Å; G71-F73 PolarHBondContact O-N 2.98Å; F73-G77 PolarHBondContact O-N 2.84Å; F73-W111 HydrophobicContact CB-CH2 3.71Å; F73-W111 HydrophobicContact CB-CZ2 3.38Å |
| 74 | A | 95.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.6 | -48.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | I70 G71 L76 G77 E78 W161 | I70-A74 VanDerWaalsContact O-CB 3.28Å; I70-A74 WeakPolarHBondContact O-CB 3.31Å; I70-A74 PolarHBondContact O-N 2.88Å; G71-A74 WeakPolarHBondContact O-CB 3.34Å; G71-A74 PolarHBondContact O-N 3.02Å; A74-L76 PolarHBondContact O-N 3.19Å; A74-G77 PolarHBondContact O-N 3.4Å; A74-E78 VanDerWaalsContact O-CB 3.31Å; A74-E78 WeakPolarHBondContact O-CB 3.24Å; A74-E78 VanDerWaalsContact O-CG 3.31Å; A74-E78 WeakPolarHBondContact O-CG 3.43Å; A74-E78 PolarHBondContact O-N 3Å; A74-W161 HydrophobicContact CB-CZ2 3.78Å |
| 75 | F | 95.5 | Very high | 93.5 | Very high | 68 Ų | 68 | 45.3 Ų | 45.3 | 30% | 0.298 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.8 | -48.1 | -176.8 | 174.3 | -97.7 | 0 | 0 | 0 | 111.3 | L34 V38 F41 G71 V72 I79 | L34-F75 HydrophobicContact CD2-CD2 3.61Å; L34-F75 HydrophobicContact CD2-CE2 4.12Å; L34-F75 HydrophobicContact CD2-CG 4.29Å; L34-F75 WeakPolarHBondContact CD2-O 3.45Å; V38-F75 HydrophobicContact CG2-CD2 3.71Å; V38-F75 HydrophobicContact CG2-CE2 3.85Å; F41-F75 HydrophobicContact CE1-CB 4.22Å; F41-F75 HydrophobicContact CE1-CG 4.43Å; G71-F75 WeakPolarHBondContact O-CB 3.35Å; G71-F75 PolarHBondContact O-N 3.46Å; V72-F75 PolarHBondContact O-N 3.07Å; F75-I79 HydrophobicContact CD1-CD1 3.95Å; F75-I79 HydrophobicContact CE1-CD1 3.44Å; F75-I79 VanDerWaalsContact CE1-CD1 3.44Å; F75-I79 HydrophobicContact CE2-CD1 4.13Å; F75-I79 HydrophobicContact CG-CD1 4.5Å; F75-I79 HydrophobicContact CZ-CD1 3.55Å; F75-I79 WeakPolarHBondContact O-CG1 3.41Å; F75-I79 PolarHBondContact O-N 3.29Å; F75-I79 VanDerWaalsContact O-N 3.13Å |
| 76 | L | 96 | Very high | 93.1 | Very high | 97 Ų | 97 | 45.5 Ų | 45.5 | 51% | 0.508 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 177.9 | -65 | 176.9 | 0 | 0 | 0 | 112.2 | V72 A74 I79 L80 | V72-L76 HydrophobicContact CG1-CD1 4.32Å; V72-L76 WeakPolarHBondContact O-CG 3.27Å; V72-L76 PolarHBondContact O-N 3.37Å; V72-L76 VanDerWaalsContact O-N 3.08Å; A74-L76 PolarHBondContact O-N 3.19Å; L76-I79 PolarHBondContact O-N 2.68Å; L76-L80 PolarHBondContact O-N 3.45Å |
| 77 | G | 94.6 | Very high | 92.7 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 10% | 0.103 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F73 A74 I79 L80 F81 | F73-G77 PolarHBondContact O-N 2.84Å; A74-G77 PolarHBondContact O-N 3.4Å; G77-I79 PolarHBondContact O-N 3.49Å; G77-L80 WeakPolarHBondContact O-CB 3.38Å; G77-L80 PolarHBondContact O-N 3.49Å; G77-L80 VanDerWaalsContact O-N 3.1Å; G77-F81 WeakPolarHBondContact O-CD2 3.33Å; G77-F81 PolarHBondContact O-N 3.41Å |
| 78 | E | 93.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66 | -35.2 | 179.8 | -77.3 | -74.1 | -161.6 | 0 | 0 | 113 | R30 S33 L34 A74 L80 F81 L82 W161 I164 | R30-E78 VanDerWaalsContact CD-OE2 3.3Å; R30-E78 WeakPolarHBondContact CD-OE2 3.38Å; R30-E78 VanDerWaalsContact CG-OE2 3.27Å; R30-E78 WeakPolarHBondContact CG-OE2 3.39Å; R30-E78 IonicContact CZ-OE2 2.84Å; R30-E78 IonicContact NE-OE2 3.2Å; R30-E78 IonicContact NH1-OE1 2.86Å; R30-E78 IonicContact NH1-OE2 3.93Å; R30-E78 PolarHBondContact NH1-OE2 3.29Å; S33-E78 WeakPolarHBondContact OG-CG 3.45Å; S33-E78 PolarHBondContact OG-OE1 2.86Å; L34-E78 HydrophobicContact CD2-CB 3.43Å; L34-E78 VanDerWaalsContact CD2-CB 3.43Å; L34-E78 HydrophobicContact CD2-CG 4.42Å; L34-E78 HydrophobicContact CG-CB 3.79Å; A74-E78 VanDerWaalsContact O-CB 3.31Å; A74-E78 WeakPolarHBondContact O-CB 3.24Å; A74-E78 VanDerWaalsContact O-CG 3.31Å; A74-E78 WeakPolarHBondContact O-CG 3.43Å; A74-E78 PolarHBondContact O-N 3Å; E78-L80 VanDerWaalsContact C-N 3.29Å; E78-L80 PolarHBondContact O-N 2.93Å; E78-F81 PolarHBondContact O-N 2.96Å; E78-L82 VanDerWaalsContact O-CB 3.26Å; E78-L82 WeakPolarHBondContact O-CB 3.41Å; E78-L82 WeakPolarHBondContact O-CG 3.44Å; E78-L82 PolarHBondContact O-N 3.28Å; E78-W161 HydrophobicContact CG-CH2 3.69Å; E78-W161 HydrophobicContact CG-CZ2 3.92Å; E78-W161 VanDerWaalsContact OE1-CH2 3.24Å; E78-W161 WeakPolarHBondContact OE1-CH2 3.4Å; E78-I164 WeakPolarHBondContact OE1-CD1 3.46Å |
| 79 | I | 93.7 | Very high | 91.5 | Very high | 72 Ų | 72 | 50.8 Ų | 50.8 | 37% | 0.369 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59 | -45 | 171.2 | -69.9 | 167.7 | 0 | 0 | 0 | 110.2 | L34 F75 L76 G77 V83 | L34-I79 HydrophobicContact CD2-CG1 4.23Å; F75-I79 HydrophobicContact CD1-CD1 3.95Å; F75-I79 HydrophobicContact CE1-CD1 3.44Å; F75-I79 VanDerWaalsContact CE1-CD1 3.44Å; F75-I79 HydrophobicContact CE2-CD1 4.13Å; F75-I79 HydrophobicContact CG-CD1 4.5Å; F75-I79 HydrophobicContact CZ-CD1 3.55Å; F75-I79 WeakPolarHBondContact O-CG1 3.41Å; F75-I79 PolarHBondContact O-N 3.29Å; F75-I79 VanDerWaalsContact O-N 3.13Å; L76-I79 PolarHBondContact O-N 2.68Å; G77-I79 PolarHBondContact O-N 3.49Å; I79-V83 VanDerWaalsContact O-CG2 3.31Å; I79-V83 WeakPolarHBondContact O-CG2 3.34Å; I79-V83 PolarHBondContact O-N 2.66Å; I79-V83 VanDerWaalsContact O-N 3.08Å |
| 80 | L | 93.1 | Very high | 90.8 | Very high | 124 Ų | 124 | 53.8 Ų | 53.8 | 65% | 0.649 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.8 | -44.4 | 178.2 | 179.5 | 64.9 | 0 | 0 | 0 | 111.8 | L76 G77 E78 V83 G84 | L76-L80 PolarHBondContact O-N 3.45Å; G77-L80 WeakPolarHBondContact O-CB 3.38Å; G77-L80 PolarHBondContact O-N 3.49Å; G77-L80 VanDerWaalsContact O-N 3.1Å; E78-L80 VanDerWaalsContact C-N 3.29Å; E78-L80 PolarHBondContact O-N 2.93Å; L80-V83 PolarHBondContact O-N 3.22Å; L80-G84 PolarHBondContact O-N 3.41Å |
| 81 | F | 92.3 | Very high | 90 | Very high | 28 Ų | 28 | 54.2 Ų | 54.2 | 12% | 0.123 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.8 | -36.1 | 179 | -75.8 | -67.7 | 0 | 0 | 0 | 113 | G77 E78 G84 D85 D104 F107 | G77-F81 WeakPolarHBondContact O-CD2 3.33Å; G77-F81 PolarHBondContact O-N 3.41Å; E78-F81 PolarHBondContact O-N 2.96Å; F81-G84 CarbonylContact O-C 3.57Å; F81-G84 WeakPolarHBondContact O-CA 3.34Å; F81-G84 PolarHBondContact O-N 2.87Å; F81-D85 WeakPolarHBondContact O-CB 3.26Å; F81-D85 PolarHBondContact O-N 3.18Å; F81-D104 HydrophobicContact CD1-CB 3.86Å; F81-D104 HydrophobicContact CE1-CB 3.58Å; F81-D104 HydrophobicContact CZ-CB 4.36Å; F81-F107 AromaticContact CD2-CD1 3.86Å; F81-F107 HydrophobicContact CD2-CD1 3.86Å; F81-F107 HydrophobicContact CD2-CE1 4.17Å; F81-F107 HydrophobicContact CD2-CG 4.39Å; F81-F107 HydrophobicContact CE2-CB 3.71Å; F81-F107 AromaticContact CE2-CD1 3.36Å; F81-F107 HydrophobicContact CE2-CD1 3.36Å; F81-F107 HydrophobicContact CE2-CD2 4.09Å; F81-F107 AromaticContact CE2-CE1 3.93Å; F81-F107 HydrophobicContact CE2-CE1 3.93Å; F81-F107 AromaticContact CE2-CG 3.45Å; F81-F107 HydrophobicContact CE2-CG 3.45Å; F81-F107 VanDerWaalsContact CE2-CG 3.45Å; F81-F107 HydrophobicContact CZ-CB 3.78Å; F81-F107 HydrophobicContact CZ-CD1 4.29Å; F81-F107 HydrophobicContact CZ-CG 4.04Å |
| 82 | L | 91 | Very high | 89.4 | Confident | 21 Ų | 21 | 59.5 Ų | 59.5 | 11% | 0.11 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 173.4 | -83.1 | 167.7 | 0 | 0 | 0 | 111.9 | F21 R30 L31 L34 E78 G84 D85 F86 | F21-L82 HydrophobicContact CE1-CD2 4.14Å; F21-L82 HydrophobicContact CZ-CD2 3.87Å; R30-L82 HydrophobicContact CB-CD1 4.43Å; R30-L82 HydrophobicContact CB-CD2 3.67Å; R30-L82 HydrophobicContact CB-CG 3.99Å; R30-L82 HydrophobicContact CG-CD2 4.43Å; L31-L82 HydrophobicContact CD2-CD1 4.06Å; L31-L82 HydrophobicContact CD2-CD2 4.46Å; L34-L82 HydrophobicContact CD1-CD1 3.31Å; L34-L82 HydrophobicContact CG-CD1 4.16Å; E78-L82 VanDerWaalsContact O-CB 3.26Å; E78-L82 WeakPolarHBondContact O-CB 3.41Å; E78-L82 WeakPolarHBondContact O-CG 3.44Å; E78-L82 PolarHBondContact O-N 3.28Å; L82-G84 VanDerWaalsContact C-N 3.3Å; L82-D85 PolarHBondContact O-N 2.87Å; L82-F86 WeakPolarHBondContact O-CB 3.31Å; L82-F86 PolarHBondContact O-N 2.87Å |
| 83 | V | 89.3 | Confident | 88.8 | Confident | 78 Ų | 78 | 61 Ų | 61 | 47% | 0.473 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 173.5 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | I79 L80 D85 F86 M87 | I79-V83 VanDerWaalsContact O-CG2 3.31Å; I79-V83 WeakPolarHBondContact O-CG2 3.34Å; I79-V83 PolarHBondContact O-N 2.66Å; I79-V83 VanDerWaalsContact O-N 3.08Å; L80-V83 PolarHBondContact O-N 3.22Å; V83-D85 PolarHBondContact O-N 3.23Å; V83-F86 PolarHBondContact O-N 3.32Å; V83-M87 HydrophobicContact CG1-SD 4.1Å; V83-M87 WeakPolarHBondContact O-CB 3.46Å; V83-M87 WeakPolarHBondContact O-CG 3.39Å; V83-M87 PolarHBondContact O-N 3.23Å |
| 84 | G | 87.1 | Confident | 88.1 | Confident | 18 Ų | 18 | 60.6 Ų | 60.6 | 19% | 0.186 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.1 | -43.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L80 F81 L82 M87 F88 | L80-G84 PolarHBondContact O-N 3.41Å; F81-G84 CarbonylContact O-C 3.57Å; F81-G84 WeakPolarHBondContact O-CA 3.34Å; F81-G84 PolarHBondContact O-N 2.87Å; L82-G84 VanDerWaalsContact C-N 3.3Å; G84-M87 PolarHBondContact O-N 3.37Å; G84-F88 WeakPolarHBondContact O-CA 3.32Å; G84-F88 WeakPolarHBondContact O-CB 3.46Å; G84-F88 PolarHBondContact O-N 3.25Å |
| 85 | D | 86.6 | Confident | 87.6 | Confident | 16 Ų | 16 | 68.3 Ų | 68.3 | 9% | 0.086 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -71.8 | -37.3 | 178.4 | -80.4 | -30.2 | 0 | 0 | 0 | 111.8 | F21 R30 F81 L82 V83 M87 F88 R171 | F21-D85 HydrophobicContact CE2-CB 3.76Å; F21-D85 HydrophobicContact CZ-CB 4.26Å; R30-D85 IonicContact CZ-OD2 3.91Å; R30-D85 IonicContact NE-OD2 3.87Å; R30-D85 PolarHBondContact NE-OD2 2.92Å; R30-D85 IonicContact NH2-OD2 3.39Å; R30-D85 PolarHBondContact NH2-OD2 3.29Å; F81-D85 WeakPolarHBondContact O-CB 3.26Å; F81-D85 PolarHBondContact O-N 3.18Å; L82-D85 PolarHBondContact O-N 2.87Å; V83-D85 PolarHBondContact O-N 3.23Å; D85-M87 VanDerWaalsContact C-N 3.32Å; D85-M87 PolarHBondContact O-N 2.95Å; D85-F88 WeakPolarHBondContact O-CB 3.41Å; D85-F88 PolarHBondContact O-N 2.96Å; D85-R171 IonicContact OD1-CZ 3.81Å; D85-R171 IonicContact OD1-NH1 2.71Å; D85-R171 PolarHBondContact OD1-NH1 2.84Å |
| 86 | F | 85.1 | Confident | 87.2 | Confident | 94 Ų | 94 | 72.4 Ų | 72.4 | 41% | 0.412 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 174.3 | -178.8 | -101.6 | 0 | 0 | 0 | 111.8 | I18 F21 L82 V83 | I18-F86 HydrophobicContact CG1-CE2 4.05Å; F21-F86 HydrophobicContact CB-CD2 4.43Å; F21-F86 HydrophobicContact CD1-CD2 4.38Å; F21-F86 HydrophobicContact CD2-CB 4.43Å; F21-F86 HydrophobicContact CD2-CD2 4.37Å; F21-F86 HydrophobicContact CE2-CB 4.13Å; F21-F86 HydrophobicContact CG-CD2 4.14Å; F21-F86 HydrophobicContact CZ-CB 4.28Å; L82-F86 WeakPolarHBondContact O-CB 3.31Å; L82-F86 PolarHBondContact O-N 2.87Å; V83-F86 PolarHBondContact O-N 3.32Å |
| 87 | M | 85.1 | Confident | 86.8 | Confident | 102 Ų | 102 | 71.7 Ų | 71.7 | 50% | 0.502 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -3.8 | 178.8 | -64.2 | -172.7 | 74.3 | 0 | 0 | 113.7 | V83 G84 D85 D89 S90 I91 | V83-M87 HydrophobicContact CG1-SD 4.1Å; V83-M87 WeakPolarHBondContact O-CB 3.46Å; V83-M87 WeakPolarHBondContact O-CG 3.39Å; V83-M87 PolarHBondContact O-N 3.23Å; G84-M87 PolarHBondContact O-N 3.37Å; D85-M87 VanDerWaalsContact C-N 3.32Å; D85-M87 PolarHBondContact O-N 2.95Å; M87-D89 VanDerWaalsContact C-N 3.32Å; M87-D89 PolarHBondContact O-N 2.97Å; M87-S90 WeakPolarHBondContact O-CB 3.47Å; M87-S90 PolarHBondContact O-N 3.47Å; M87-I91 PolarHBondContact O-N 2.82Å |
| 88 | F | 83.1 | Confident | 86.5 | Confident | 17 Ų | 17 | 75.9 Ų | 75.9 | 8% | 0.075 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -60.5 | -42.5 | -167.1 | -165.8 | -87.1 | 0 | 0 | 0 | 112.8 | G84 D85 S90 I91 R97 I100 V101 R171 | G84-F88 WeakPolarHBondContact O-CA 3.32Å; G84-F88 WeakPolarHBondContact O-CB 3.46Å; G84-F88 PolarHBondContact O-N 3.25Å; D85-F88 WeakPolarHBondContact O-CB 3.41Å; D85-F88 PolarHBondContact O-N 2.96Å; F88-S90 PolarHBondContact O-N 2.65Å; F88-I91 WeakPolarHBondContact O-CB 3.2Å; F88-I91 PolarHBondContact O-N 3.36Å; F88-I91 VanDerWaalsContact O-N 3.08Å; F88-R97 HydrophobicContact CE1-CB 4.28Å; F88-R97 HydrophobicContact CE1-CG 3.93Å; F88-R97 HydrophobicContact CE2-CB 4.21Å; F88-R97 HydrophobicContact CE2-CG 4.28Å; F88-R97 HydrophobicContact CZ-CB 3.71Å; F88-R97 HydrophobicContact CZ-CG 3.79Å; F88-I100 HydrophobicContact CD2-CG2 4.31Å; F88-I100 HydrophobicContact CE2-CB 4.42Å; F88-I100 HydrophobicContact CE2-CG2 4.2Å; F88-V101 HydrophobicContact CE2-CG2 3.89Å; F88-V101 HydrophobicContact CZ-CG2 3.87Å; F88-R171 VanDerWaalsContact CD2-NH2 3.25Å; F88-R171 VanDerWaalsContact CZ-CZ 3.48Å; F88-R171 VanDerWaalsContact CZ-NH2 3.26Å |
| 89 | D | 77.9 | Confident | 86.3 | Confident | 89 Ų | 89 | 81 Ų | 81 | 48% | 0.476 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -67.1 | -26 | -177.4 | -58.3 | -19.4 | 0 | 0 | 0 | 110.7 | K24 M87 R97 | K24-D89 IonicContact NZ-OD1 3.23Å; K24-D89 IonicContact NZ-OD2 3.95Å; K24-D89 PolarHBondContact NZ-OD2 3.45Å; M87-D89 VanDerWaalsContact C-N 3.32Å; M87-D89 PolarHBondContact O-N 2.97Å; D89-R97 PolarHBondContact O-NH2 3.48Å; D89-R97 VanDerWaalsContact O-NH2 3.14Å |
| 90 | S | 81.1 | Confident | 86.1 | Confident | 104 Ų | 104 | 79.5 Ų | 79.5 | 73% | 0.727 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -78.5 | -13.5 | 175.7 | -58.6 | 0 | 0 | 0 | 0 | 114.3 | M87 F88 S92 | M87-S90 WeakPolarHBondContact O-CB 3.47Å; M87-S90 PolarHBondContact O-N 3.47Å; F88-S90 PolarHBondContact O-N 2.65Å; S90-S92 PolarHBondContact O-N 3.4Å |
| 91 | I | 81.1 | Confident | 86.1 | Confident | 17 Ų | 17 | 74 Ų | 74 | 9% | 0.087 | 38% | 0.379 | C | S | . | . | trans | -83.7 | 108.1 | -178.9 | -62 | 172.4 | 0 | 0 | 0 | 108.9 | M87 F88 R96 R97 I100 | M87-I91 PolarHBondContact O-N 2.82Å; F88-I91 WeakPolarHBondContact O-CB 3.2Å; F88-I91 PolarHBondContact O-N 3.36Å; F88-I91 VanDerWaalsContact O-N 3.08Å; I91-R96 HydrophobicContact CG2-CB 4Å; I91-R96 HydrophobicContact CG2-CG 4.05Å; I91-R97 HydrophobicContact CB-CG 4.26Å; I91-R97 HydrophobicContact CG2-CG 3.99Å; I91-R97 PolarHBondContact O-NE 2.96Å; I91-R97 PolarHBondContact O-NH2 3.35Å; I91-I100 HydrophobicContact CD1-CD1 3.47Å; I91-I100 VanDerWaalsContact CD1-CD1 3.47Å | ||
| 92 | S | 81.6 | Confident | 86.1 | Confident | 111 Ų | 111 | 76.1 Ų | 76.1 | 78% | 0.776 | 39% | 0.391 | S | S | * | . | trans | -76.4 | -20.7 | 177.7 | 57.7 | 0 | 0 | 0 | 0 | 114.2 | S90 I94 | S90-S92 PolarHBondContact O-N 3.4Å; S92-I94 PolarHBondContact O-N 3.21Å | ||
| 93 | N | 83.8 | Confident | 86.2 | Confident | 86 Ų | 86 | 76.8 Ų | 76.8 | 46% | 0.46 | 40% | 0.403 | S | S | . | . | trans | -80.9 | 109 | -173.5 | -171.7 | -29.7 | 0 | 0 | 0 | 111.8 | K95 R96 R97 | N93-K95 VanDerWaalsContact C-N 3.28Å; N93-K95 PolarHBondContact O-N 3.14Å; N93-K95 WeakPolarHBondContact OD1-CB 3.28Å; N93-K95 PolarHBondContact OD1-N 3.19Å; N93-R96 HydrophobicContact CB-CB 4.05Å; N93-R96 WeakPolarHBondContact O-CB 3.37Å; N93-R96 PolarHBondContact O-N 3.33Å; N93-R96 PolarHBondContact OD1-N 3.39Å; N93-R97 PolarHBondContact O-N 2.96Å | ||
| 94 | I | 83 | Confident | 86.4 | Confident | 118 Ų | 118 | 73.3 Ų | 73.3 | 61% | 0.605 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -56 | -40 | 178.7 | -60.2 | 171.9 | 0 | 0 | 0 | 111.8 | S92 R96 R97 K98 | S92-I94 PolarHBondContact O-N 3.21Å; I94-R96 VanDerWaalsContact C-N 3.32Å; I94-R96 PolarHBondContact O-N 3.23Å; I94-R97 PolarHBondContact O-N 3.48Å; I94-K98 WeakPolarHBondContact O-CB 3.18Å; I94-K98 PolarHBondContact O-N 2.94Å |
| 95 | K | 85.4 | Confident | 86.8 | Confident | 164 Ų | 164 | 74 Ų | 74 | 71% | 0.713 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.8 | -41.2 | 178.2 | -61.2 | -178.9 | -179.4 | 177.4 | 0 | 111 | N93 N99 | N93-K95 VanDerWaalsContact C-N 3.28Å; N93-K95 PolarHBondContact O-N 3.14Å; N93-K95 WeakPolarHBondContact OD1-CB 3.28Å; N93-K95 PolarHBondContact OD1-N 3.19Å; K95-N99 PolarHBondContact O-N 3.03Å; K95-N99 PolarHBondContact O-OD1 3.09Å |
| 96 | R | 85.9 | Confident | 87.2 | Confident | 153 Ų | 153 | 75.3 Ų | 75.3 | 58% | 0.577 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -67.4 | -44 | 176.9 | -173.8 | 175.1 | 175.6 | -173.2 | -0.9 | 111.4 | I91 N93 I94 K98 N99 I100 | I91-R96 HydrophobicContact CG2-CB 4Å; I91-R96 HydrophobicContact CG2-CG 4.05Å; N93-R96 HydrophobicContact CB-CB 4.05Å; N93-R96 WeakPolarHBondContact O-CB 3.37Å; N93-R96 PolarHBondContact O-N 3.33Å; N93-R96 PolarHBondContact OD1-N 3.39Å; I94-R96 VanDerWaalsContact C-N 3.32Å; I94-R96 PolarHBondContact O-N 3.23Å; R96-K98 PolarHBondContact O-N 2.92Å; R96-N99 PolarHBondContact O-N 3.47Å; R96-I100 HydrophobicContact CG-CD1 4.06Å; R96-I100 WeakPolarHBondContact O-CG1 3.47Å; R96-I100 PolarHBondContact O-N 3.16Å |
| 97 | R | 87.4 | Confident | 87.8 | Confident | 83 Ų | 83 | 72.8 Ų | 72.8 | 31% | 0.313 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -56.2 | -49.4 | 174.2 | -73.2 | -174.4 | 177.7 | -174.9 | 2.2 | 111.3 | F88 D89 I91 N93 I94 N99 I100 V101 | F88-R97 HydrophobicContact CE1-CB 4.28Å; F88-R97 HydrophobicContact CE1-CG 3.93Å; F88-R97 HydrophobicContact CE2-CB 4.21Å; F88-R97 HydrophobicContact CE2-CG 4.28Å; F88-R97 HydrophobicContact CZ-CB 3.71Å; F88-R97 HydrophobicContact CZ-CG 3.79Å; D89-R97 PolarHBondContact O-NH2 3.48Å; D89-R97 VanDerWaalsContact O-NH2 3.14Å; I91-R97 HydrophobicContact CB-CG 4.26Å; I91-R97 HydrophobicContact CG2-CG 3.99Å; I91-R97 PolarHBondContact O-NE 2.96Å; I91-R97 PolarHBondContact O-NH2 3.35Å; N93-R97 PolarHBondContact O-N 2.96Å; I94-R97 PolarHBondContact O-N 3.48Å; R97-N99 PolarHBondContact O-N 3.37Å; R97-I100 PolarHBondContact O-N 3.28Å; R97-V101 WeakPolarHBondContact O-CG2 3.44Å; R97-V101 PolarHBondContact O-N 3.48Å |
| 98 | K | 88.7 | Confident | 88.3 | Confident | 97 Ų | 97 | 68 Ų | 68 | 42% | 0.422 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.2 | -46.1 | 178.1 | -180 | 175.6 | 176.4 | 175.4 | 0 | 112 | I94 R96 I100 V101 I102 | I94-K98 WeakPolarHBondContact O-CB 3.18Å; I94-K98 PolarHBondContact O-N 2.94Å; R96-K98 PolarHBondContact O-N 2.92Å; K98-I100 VanDerWaalsContact C-N 3.34Å; K98-I100 PolarHBondContact O-N 3.31Å; K98-V101 PolarHBondContact O-N 3.35Å; K98-I102 HydrophobicContact CD-CD1 4.47Å; K98-I102 HydrophobicContact CG-CD1 3.81Å; K98-I102 HydrophobicContact CG-CG1 4.46Å; K98-I102 WeakPolarHBondContact O-CG1 2.98Å; K98-I102 PolarHBondContact O-N 2.93Å |
| 99 | N | 89.4 | Confident | 89 | Confident | 110 Ų | 110 | 68.5 Ų | 68.5 | 59% | 0.588 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.9 | -39.3 | 179.4 | -73.4 | 5.9 | 0 | 0 | 0 | 112.3 | K95 R96 R97 I102 G103 | K95-N99 PolarHBondContact O-N 3.03Å; K95-N99 PolarHBondContact O-OD1 3.09Å; R96-N99 PolarHBondContact O-N 3.47Å; R97-N99 PolarHBondContact O-N 3.37Å; N99-I102 PolarHBondContact O-N 2.92Å; N99-G103 PolarHBondContact O-N 3.24Å |
| 100 | I | 91.4 | Very high | 89.9 | Confident | 39 Ų | 39 | 68.5 Ų | 68.5 | 20% | 0.2 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.1 | -46 | 175.2 | -68.7 | 166.3 | 0 | 0 | 0 | 110.4 | F88 I91 R96 R97 K98 G103 D104 | F88-I100 HydrophobicContact CD2-CG2 4.31Å; F88-I100 HydrophobicContact CE2-CB 4.42Å; F88-I100 HydrophobicContact CE2-CG2 4.2Å; I91-I100 HydrophobicContact CD1-CD1 3.47Å; I91-I100 VanDerWaalsContact CD1-CD1 3.47Å; R96-I100 HydrophobicContact CG-CD1 4.06Å; R96-I100 WeakPolarHBondContact O-CG1 3.47Å; R96-I100 PolarHBondContact O-N 3.16Å; R97-I100 PolarHBondContact O-N 3.28Å; K98-I100 VanDerWaalsContact C-N 3.34Å; K98-I100 PolarHBondContact O-N 3.31Å; I100-G103 PolarHBondContact O-N 3.29Å; I100-D104 WeakPolarHBondContact O-CB 3.26Å; I100-D104 PolarHBondContact O-N 3.3Å |
| 101 | V | 91.1 | Very high | 90.7 | Very high | 9 Ų | 9 | 64.6 Ų | 64.6 | 6% | 0.055 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 179.5 | 176 | 0 | 0 | 0 | 0 | 112.1 | F88 R97 K98 D104 L105 R171 F172 | F88-V101 HydrophobicContact CE2-CG2 3.89Å; F88-V101 HydrophobicContact CZ-CG2 3.87Å; R97-V101 WeakPolarHBondContact O-CG2 3.44Å; R97-V101 PolarHBondContact O-N 3.48Å; K98-V101 PolarHBondContact O-N 3.35Å; V101-D104 PolarHBondContact O-N 2.92Å; V101-L105 VanDerWaalsContact O-CB 3.31Å; V101-L105 WeakPolarHBondContact O-CB 3.2Å; V101-L105 PolarHBondContact O-N 3.24Å; V101-R171 HydrophobicContact CG1-CB 4.4Å; V101-R171 HydrophobicContact CG1-CG 4.32Å; V101-R171 HydrophobicContact CG2-CG 4.14Å; V101-F172 HydrophobicContact CG1-CB 3.83Å; V101-F172 HydrophobicContact CG1-CD2 4.26Å |
| 102 | I | 92.7 | Very high | 91.5 | Very high | 72 Ų | 72 | 65.2 Ų | 65.2 | 37% | 0.369 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 175.2 | -68.4 | 168.3 | 0 | 0 | 0 | 110.8 | K98 N99 L105 G106 F172 | K98-I102 HydrophobicContact CD-CD1 4.47Å; K98-I102 HydrophobicContact CG-CD1 3.81Å; K98-I102 HydrophobicContact CG-CG1 4.46Å; K98-I102 WeakPolarHBondContact O-CG1 2.98Å; K98-I102 PolarHBondContact O-N 2.93Å; N99-I102 PolarHBondContact O-N 2.92Å; I102-L105 PolarHBondContact O-N 2.71Å; I102-G106 PolarHBondContact O-N 2.81Å; I102-F172 HydrophobicContact CD1-CE2 3.91Å; I102-F172 HydrophobicContact CG1-CD2 3.95Å; I102-F172 HydrophobicContact CG1-CE2 3.44Å; I102-F172 VanDerWaalsContact CG1-CE2 3.44Å; I102-F172 HydrophobicContact CG1-CZ 4.27Å |
| 103 | G | 93.9 | Very high | 92.2 | Very high | 36 Ų | 36 | 65.8 Ų | 65.8 | 37% | 0.371 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | N99 I100 G106 F107 | N99-G103 PolarHBondContact O-N 3.24Å; I100-G103 PolarHBondContact O-N 3.29Å; G103-G106 PolarHBondContact O-N 3.25Å; G103-F107 VanDerWaalsContact O-CB 3.25Å; G103-F107 WeakPolarHBondContact O-CB 3.5Å; G103-F107 PolarHBondContact O-N 3.22Å |
| 104 | D | 93.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 176.2 | -178.7 | 42.2 | 0 | 0 | 0 | 112.1 | R30 F81 I100 V101 G106 F107 S108 | R30-D104 IonicContact CZ-OD1 3.01Å; R30-D104 IonicContact NH1-OD1 2.89Å; R30-D104 PolarHBondContact NH1-OD1 3.37Å; R30-D104 IonicContact NH2-OD1 3.4Å; R30-D104 PolarHBondContact NH2-OD1 2.99Å; R30-D104 IonicContact NH2-OD2 2.92Å; R30-D104 PolarHBondContact NH2-OD2 3.28Å; F81-D104 HydrophobicContact CD1-CB 3.86Å; F81-D104 HydrophobicContact CE1-CB 3.58Å; F81-D104 HydrophobicContact CZ-CB 4.36Å; I100-D104 WeakPolarHBondContact O-CB 3.26Å; I100-D104 PolarHBondContact O-N 3.3Å; V101-D104 PolarHBondContact O-N 2.92Å; D104-G106 PolarHBondContact O-N 3.01Å; D104-F107 PolarHBondContact O-N 3.34Å; D104-S108 VanDerWaalsContact O-CB 3.28Å; D104-S108 WeakPolarHBondContact O-CB 3.43Å; D104-S108 PolarHBondContact O-N 3.05Å; D104-S108 PolarHBondContact O-OG 3.25Å |
| 105 | L | 94.6 | Very high | 93.5 | Very high | 32 Ų | 32 | 58.1 Ų | 58.1 | 17% | 0.168 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 175.9 | 175.8 | 59.6 | 0 | 0 | 0 | 112.2 | V101 I102 S108 G109 T165 A168 L169 F172 | V101-L105 VanDerWaalsContact O-CB 3.31Å; V101-L105 WeakPolarHBondContact O-CB 3.2Å; V101-L105 PolarHBondContact O-N 3.24Å; I102-L105 PolarHBondContact O-N 2.71Å; L105-S108 PolarHBondContact O-OG 2.91Å; L105-G109 PolarHBondContact O-N 2.88Å; L105-T165 HydrophobicContact CD1-CG2 3.93Å; L105-A168 HydrophobicContact CB-CB 4.21Å; L105-A168 HydrophobicContact CD1-CB 4.2Å; L105-L169 HydrophobicContact CD1-CB 4.42Å; L105-L169 HydrophobicContact CD1-CD1 4.45Å; L105-L169 HydrophobicContact CD1-CD2 3.42Å; L105-L169 VanDerWaalsContact CD1-CD2 3.42Å; L105-L169 HydrophobicContact CD1-CG 3.43Å; L105-L169 VanDerWaalsContact CD1-CG 3.43Å; L105-L169 HydrophobicContact CD2-CD2 3.61Å; L105-L169 HydrophobicContact CD2-CG 4.47Å; L105-L169 HydrophobicContact CG-CD2 4.13Å; L105-F172 HydrophobicContact CD2-CD1 4.24Å; L105-F172 HydrophobicContact CD2-CG 4.37Å |
| 106 | G | 96.2 | Very high | 94.1 | Very high | 45 Ų | 45 | 55.3 Ų | 55.3 | 46% | 0.464 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I102 G103 D104 L110 | I102-G106 PolarHBondContact O-N 2.81Å; G103-G106 PolarHBondContact O-N 3.25Å; D104-G106 PolarHBondContact O-N 3.01Å; G106-L110 VanDerWaalsContact O-CB 3.23Å; G106-L110 WeakPolarHBondContact O-CB 3.42Å; G106-L110 PolarHBondContact O-N 2.85Å |
| 107 | F | 96.4 | Very high | 94.6 | Very high | 41 Ų | 41 | 50.1 Ų | 50.1 | 18% | 0.18 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.8 | -49 | 179 | -171.5 | -99.3 | 0 | 0 | 0 | 111.7 | F81 G103 D104 L110 W111 W161 | F81-F107 AromaticContact CD2-CD1 3.86Å; F81-F107 HydrophobicContact CD2-CD1 3.86Å; F81-F107 HydrophobicContact CD2-CE1 4.17Å; F81-F107 HydrophobicContact CD2-CG 4.39Å; F81-F107 HydrophobicContact CE2-CB 3.71Å; F81-F107 AromaticContact CE2-CD1 3.36Å; F81-F107 HydrophobicContact CE2-CD1 3.36Å; F81-F107 HydrophobicContact CE2-CD2 4.09Å; F81-F107 AromaticContact CE2-CE1 3.93Å; F81-F107 HydrophobicContact CE2-CE1 3.93Å; F81-F107 AromaticContact CE2-CG 3.45Å; F81-F107 HydrophobicContact CE2-CG 3.45Å; F81-F107 VanDerWaalsContact CE2-CG 3.45Å; F81-F107 HydrophobicContact CZ-CB 3.78Å; F81-F107 HydrophobicContact CZ-CD1 4.29Å; F81-F107 HydrophobicContact CZ-CG 4.04Å; G103-F107 VanDerWaalsContact O-CB 3.25Å; G103-F107 WeakPolarHBondContact O-CB 3.5Å; G103-F107 PolarHBondContact O-N 3.22Å; D104-F107 PolarHBondContact O-N 3.34Å; F107-L110 PolarHBondContact O-N 3.5Å; F107-W111 HydrophobicContact CD1-CE3 4.3Å; F107-W111 AromaticContact CD2-CE3 3.77Å; F107-W111 HydrophobicContact CD2-CE3 3.77Å; F107-W111 HydrophobicContact CD2-CH2 4.46Å; F107-W111 AromaticContact CD2-CZ3 3.62Å; F107-W111 HydrophobicContact CD2-CZ3 3.62Å; F107-W111 HydrophobicContact CE1-CD2 4.14Å; F107-W111 HydrophobicContact CE1-CE3 4.08Å; F107-W111 HydrophobicContact CE1-CZ3 4.47Å; F107-W111 HydrophobicContact CE2-CD2 4.21Å; F107-W111 AromaticContact CE2-CE3 3.5Å; F107-W111 HydrophobicContact CE2-CE3 3.5Å; F107-W111 VanDerWaalsContact CE2-CE3 3.5Å; F107-W111 AromaticContact CE2-CH2 3.55Å; F107-W111 HydrophobicContact CE2-CH2 3.55Å; F107-W111 HydrophobicContact CE2-CZ2 4.24Å; F107-W111 AromaticContact CE2-CZ3 3.13Å; F107-W111 HydrophobicContact CE2-CZ3 3.13Å; F107-W111 HydrophobicContact CG-CE3 4.16Å; F107-W111 HydrophobicContact CG-CZ3 4.46Å; F107-W111 AromaticContact CZ-CD2 3.88Å; F107-W111 HydrophobicContact CZ-CD2 3.88Å; F107-W111 AromaticContact CZ-CE3 3.65Å; F107-W111 HydrophobicContact CZ-CE3 3.65Å; F107-W111 AromaticContact CZ-CH2 3.8Å; F107-W111 HydrophobicContact CZ-CH2 3.8Å; F107-W111 HydrophobicContact CZ-CZ2 4.02Å; F107-W111 AromaticContact CZ-CZ3 3.62Å; F107-W111 HydrophobicContact CZ-CZ3 3.62Å; F107-W111 WeakPolarHBondContact O-CB 3.39Å; F107-W111 PolarHBondContact O-N 2.86Å; F107-W161 HydrophobicContact CD1-CH2 4.04Å; F107-W161 AromaticContact CD1-CZ3 3.85Å; F107-W161 HydrophobicContact CD1-CZ3 3.85Å; F107-W161 AromaticContact CE1-CH2 3.61Å; F107-W161 HydrophobicContact CE1-CH2 3.61Å; F107-W161 AromaticContact CE1-CZ3 3.92Å; F107-W161 HydrophobicContact CE1-CZ3 3.92Å |
| 108 | S | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -41.2 | -179.7 | 55.3 | 0 | 0 | 0 | 0 | 113 | D104 L105 W111 T112 T165 | D104-S108 VanDerWaalsContact O-CB 3.28Å; D104-S108 WeakPolarHBondContact O-CB 3.43Å; D104-S108 PolarHBondContact O-N 3.05Å; D104-S108 PolarHBondContact O-OG 3.25Å; L105-S108 PolarHBondContact O-OG 2.91Å; S108-W111 PolarHBondContact O-N 3.12Å; S108-T112 PolarHBondContact O-N 3.31Å; S108-T112 PolarHBondContact O-OG1 3.2Å; S108-T165 WeakPolarHBondContact CB-OG1 3.4Å; S108-T165 PolarHBondContact O-OG1 3.32Å; S108-T165 PolarHBondContact OG-OG1 3.5Å |
| 109 | G | 96.8 | Very high | 95.3 | Very high | 29 Ų | 29 | 44.1 Ų | 44.1 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63 | -46 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L105 W111 T112 F113 T165 | L105-G109 PolarHBondContact O-N 2.88Å; G109-W111 VanDerWaalsContact C-N 3.34Å; G109-W111 PolarHBondContact O-N 2.67Å; G109-T112 WeakPolarHBondContact O-CB 3.49Å; G109-T112 PolarHBondContact O-N 2.9Å; G109-F113 PolarHBondContact O-N 3.43Å; G109-T165 PolarHBondContact N-OG1 3.02Å |
| 110 | L | 97.7 | Very high | 95.6 | Very high | 89 Ų | 89 | 41.4 Ų | 41.4 | 47% | 0.466 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.5 | -44.3 | 175.7 | 177.9 | 61.5 | 0 | 0 | 0 | 111.3 | G106 F107 T112 F113 L114 | G106-L110 VanDerWaalsContact O-CB 3.23Å; G106-L110 WeakPolarHBondContact O-CB 3.42Å; G106-L110 PolarHBondContact O-N 2.85Å; F107-L110 PolarHBondContact O-N 3.5Å; L110-T112 PolarHBondContact O-N 2.96Å; L110-F113 WeakPolarHBondContact O-CB 3.27Å; L110-F113 PolarHBondContact O-N 2.92Å; L110-L114 HydrophobicContact CD1-CD1 4.25Å; L110-L114 HydrophobicContact CD1-CG 4.24Å; L110-L114 HydrophobicContact CG-CD1 3.97Å; L110-L114 HydrophobicContact CG-CG 4.36Å; L110-L114 WeakPolarHBondContact O-CG 3.35Å; L110-L114 PolarHBondContact O-N 2.9Å |
| 111 | W | 97.2 | Very high | 95.7 | Very high | 22 Ų | 22 | 42.8 Ų | 42.8 | 8% | 0.083 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.2 | -35.5 | 179.7 | -111.1 | -100.4 | 0 | 0 | 0 | 113.3 | I70 F73 F107 S108 G109 F113 L114 W115 W161 | I70-W111 PolarHBondContact O-NE1 2.92Å; F73-W111 HydrophobicContact CB-CH2 3.71Å; F73-W111 HydrophobicContact CB-CZ2 3.38Å; F107-W111 HydrophobicContact CD1-CE3 4.3Å; F107-W111 AromaticContact CD2-CE3 3.77Å; F107-W111 HydrophobicContact CD2-CE3 3.77Å; F107-W111 HydrophobicContact CD2-CH2 4.46Å; F107-W111 AromaticContact CD2-CZ3 3.62Å; F107-W111 HydrophobicContact CD2-CZ3 3.62Å; F107-W111 HydrophobicContact CE1-CD2 4.14Å; F107-W111 HydrophobicContact CE1-CE3 4.08Å; F107-W111 HydrophobicContact CE1-CZ3 4.47Å; F107-W111 HydrophobicContact CE2-CD2 4.21Å; F107-W111 AromaticContact CE2-CE3 3.5Å; F107-W111 HydrophobicContact CE2-CE3 3.5Å; F107-W111 VanDerWaalsContact CE2-CE3 3.5Å; F107-W111 AromaticContact CE2-CH2 3.55Å; F107-W111 HydrophobicContact CE2-CH2 3.55Å; F107-W111 HydrophobicContact CE2-CZ2 4.24Å; F107-W111 AromaticContact CE2-CZ3 3.13Å; F107-W111 HydrophobicContact CE2-CZ3 3.13Å; F107-W111 HydrophobicContact CG-CE3 4.16Å; F107-W111 HydrophobicContact CG-CZ3 4.46Å; F107-W111 AromaticContact CZ-CD2 3.88Å; F107-W111 HydrophobicContact CZ-CD2 3.88Å; F107-W111 AromaticContact CZ-CE3 3.65Å; F107-W111 HydrophobicContact CZ-CE3 3.65Å; F107-W111 AromaticContact CZ-CH2 3.8Å; F107-W111 HydrophobicContact CZ-CH2 3.8Å; F107-W111 HydrophobicContact CZ-CZ2 4.02Å; F107-W111 AromaticContact CZ-CZ3 3.62Å; F107-W111 HydrophobicContact CZ-CZ3 3.62Å; F107-W111 WeakPolarHBondContact O-CB 3.39Å; F107-W111 PolarHBondContact O-N 2.86Å; S108-W111 PolarHBondContact O-N 3.12Å; G109-W111 VanDerWaalsContact C-N 3.34Å; G109-W111 PolarHBondContact O-N 2.67Å; W111-F113 VanDerWaalsContact C-N 3.29Å; W111-F113 PolarHBondContact O-N 3.27Å; W111-L114 HydrophobicContact CD2-CD1 4.4Å; W111-L114 HydrophobicContact CE3-CD1 4.28Å; W111-L114 HydrophobicContact CZ3-CD1 4.39Å; W111-L114 PolarHBondContact O-N 3.42Å; W111-W115 AromaticContact CD1-CD1 3.81Å; W111-W115 AromaticContact CD1-NE1 3.5Å; W111-W115 WeakPolarHBondContact O-CB 3.34Å; W111-W115 PolarHBondContact O-N 2.97Å; W111-W161 HydrophobicContact CB-CD2 3.56Å; W111-W161 HydrophobicContact CB-CE3 3.41Å; W111-W161 VanDerWaalsContact CB-CE3 3.41Å; W111-W161 HydrophobicContact CB-CG 4.2Å; W111-W161 HydrophobicContact CB-CH2 4.02Å; W111-W161 HydrophobicContact CB-CZ2 4.16Å; W111-W161 HydrophobicContact CB-CZ3 3.65Å; W111-W161 AromaticContact CD1-CE2 3.73Å; W111-W161 AromaticContact CD1-CZ2 3.6Å; W111-W161 HydrophobicContact CG-CD2 4.22Å; W111-W161 HydrophobicContact CG-CE3 4.2Å; W111-W161 AromaticContact CG-CH2 3.93Å; W111-W161 HydrophobicContact CG-CH2 3.93Å; W111-W161 AromaticContact CG-CZ2 3.95Å; W111-W161 HydrophobicContact CG-CZ2 3.95Å; W111-W161 HydrophobicContact CG-CZ3 4.06Å |
| 112 | T | 97.7 | Very high | 95.8 | Very high | 29 Ų | 29 | 42.4 Ų | 42.4 | 18% | 0.178 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.5 | -47.5 | 172.2 | -56.4 | 0 | 0 | 0 | 0 | 110.6 | S108 G109 L110 F116 I158 W161 G162 T165 | S108-T112 PolarHBondContact O-N 3.31Å; S108-T112 PolarHBondContact O-OG1 3.2Å; G109-T112 WeakPolarHBondContact O-CB 3.49Å; G109-T112 PolarHBondContact O-N 2.9Å; L110-T112 PolarHBondContact O-N 2.96Å; T112-F116 PolarHBondContact O-N 2.8Å; T112-I158 HydrophobicContact CG2-CG2 4.22Å; T112-W161 VanDerWaalsContact OG1-CB 3.26Å; T112-W161 WeakPolarHBondContact OG1-CB 3.47Å; T112-W161 PolarHBondContact OG1-O 3.4Å; T112-G162 PolarHBondContact OG1-N 3.47Å; T112-T165 PolarHBondContact OG1-OG1 2.87Å |
| 113 | F | 97.7 | Very high | 95.8 | Very high | 124 Ų | 124 | 40.2 Ų | 40.2 | 54% | 0.544 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.9 | -44.5 | 177.5 | 174.4 | -104 | 0 | 0 | 0 | 112.4 | G109 L110 W111 W115 F116 V117 | G109-F113 PolarHBondContact O-N 3.43Å; L110-F113 WeakPolarHBondContact O-CB 3.27Å; L110-F113 PolarHBondContact O-N 2.92Å; W111-F113 VanDerWaalsContact C-N 3.29Å; W111-F113 PolarHBondContact O-N 3.27Å; F113-W115 PolarHBondContact O-N 3.24Å; F113-F116 WeakPolarHBondContact O-CB 3.3Å; F113-F116 PolarHBondContact O-N 3.4Å; F113-V117 HydrophobicContact CD1-CG2 4.42Å; F113-V117 HydrophobicContact CD2-CG2 4.46Å; F113-V117 HydrophobicContact CE1-CG2 3.94Å; F113-V117 HydrophobicContact CE2-CG2 3.98Å; F113-V117 HydrophobicContact CZ-CG2 3.7Å; F113-V117 WeakPolarHBondContact O-CG2 3.01Å; F113-V117 PolarHBondContact O-N 3.06Å |
| 114 | L | 97.2 | Very high | 95.8 | Very high | 43 Ų | 43 | 43.1 Ų | 43.1 | 23% | 0.225 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.7 | -38.6 | 179 | -71.4 | 176.4 | 0 | 0 | 0 | 112.6 | I70 L110 W111 V117 S118 | I70-L114 HydrophobicContact CD1-CB 3.9Å; I70-L114 HydrophobicContact CD1-CD2 4.39Å; I70-L114 HydrophobicContact CG1-CB 4.18Å; I70-L114 HydrophobicContact CG1-CD1 4.38Å; I70-L114 HydrophobicContact CG2-CB 4.14Å; L110-L114 HydrophobicContact CD1-CD1 4.25Å; L110-L114 HydrophobicContact CD1-CG 4.24Å; L110-L114 HydrophobicContact CG-CD1 3.97Å; L110-L114 HydrophobicContact CG-CG 4.36Å; L110-L114 WeakPolarHBondContact O-CG 3.35Å; L110-L114 PolarHBondContact O-N 2.9Å; W111-L114 HydrophobicContact CD2-CD1 4.4Å; W111-L114 HydrophobicContact CE3-CD1 4.28Å; W111-L114 HydrophobicContact CZ3-CD1 4.39Å; W111-L114 PolarHBondContact O-N 3.42Å; L114-V117 PolarHBondContact O-N 3.32Å; L114-S118 WeakPolarHBondContact O-CB 3.5Å; L114-S118 PolarHBondContact O-N 2.88Å; L114-S118 PolarHBondContact O-OG 2.96Å |
| 115 | W | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.2 | -37.9 | 173.1 | -82 | 118.3 | 0 | 0 | 0 | 112.5 | V40 I70 W111 F113 S118 F119 S154 S157 I158 W161 | V40-W115 HydrophobicContact CB-CH2 3.71Å; V40-W115 HydrophobicContact CB-CZ3 4.13Å; V40-W115 HydrophobicContact CG1-CH2 3.65Å; V40-W115 HydrophobicContact CG1-CZ3 3.7Å; V40-W115 HydrophobicContact CG2-CH2 3.85Å; V40-W115 HydrophobicContact CG2-CZ3 4.02Å; I70-W115 HydrophobicContact CG2-CD2 4.18Å; I70-W115 HydrophobicContact CG2-CZ2 4.15Å; W111-W115 AromaticContact CD1-CD1 3.81Å; W111-W115 AromaticContact CD1-NE1 3.5Å; W111-W115 WeakPolarHBondContact O-CB 3.34Å; W111-W115 PolarHBondContact O-N 2.97Å; F113-W115 PolarHBondContact O-N 3.24Å; W115-S118 PolarHBondContact O-N 3.32Å; W115-F119 WeakPolarHBondContact O-CB 3.42Å; W115-F119 PolarHBondContact O-N 3.01Å; W115-S154 WeakPolarHBondContact CZ3-OG 3.21Å; W115-S157 VanDerWaalsContact CG-CB 3.44Å; W115-I158 HydrophobicContact CB-CG1 4.01Å; W115-W161 AromaticContact CD1-CD1 3.18Å; W115-W161 AromaticContact CD1-CG 3.88Å; W115-W161 AromaticContact CD1-NE1 3.38Å; W115-W161 AromaticContact NE1-CD1 3.39Å; W115-W161 AromaticContact NE1-CE2 3.85Å; W115-W161 AromaticContact NE1-NE1 3.05Å |
| 116 | F | 97.5 | Very high | 95.6 | Very high | 104 Ų | 104 | 46.5 Ų | 46.5 | 46% | 0.456 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.3 | -49.5 | 173.7 | 174.3 | -101.8 | 0 | 0 | 0 | 111.5 | T112 F113 S118 F119 C120 I158 | T112-F116 PolarHBondContact O-N 2.8Å; F113-F116 WeakPolarHBondContact O-CB 3.3Å; F113-F116 PolarHBondContact O-N 3.4Å; F116-S118 VanDerWaalsContact C-N 3.31Å; F116-S118 PolarHBondContact O-N 3.04Å; F116-F119 PolarHBondContact O-N 3.01Å; F116-C120 PolarHBondContact O-N 3.5Å; F116-C120 PolarHBondContact O-SG 2.9Å; F116-I158 HydrophobicContact CB-CD1 4.15Å; F116-I158 HydrophobicContact CB-CG1 4.22Å; F116-I158 HydrophobicContact CD2-CD1 4.12Å |
| 117 | V | 96.2 | Very high | 95.3 | Very high | 44 Ų | 44 | 50 Ų | 50 | 27% | 0.267 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.2 | -43.9 | 175.6 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | F113 L114 C120 L121 | F113-V117 HydrophobicContact CD1-CG2 4.42Å; F113-V117 HydrophobicContact CD2-CG2 4.46Å; F113-V117 HydrophobicContact CE1-CG2 3.94Å; F113-V117 HydrophobicContact CE2-CG2 3.98Å; F113-V117 HydrophobicContact CZ-CG2 3.7Å; F113-V117 WeakPolarHBondContact O-CG2 3.01Å; F113-V117 PolarHBondContact O-N 3.06Å; L114-V117 PolarHBondContact O-N 3.32Å; V117-C120 PolarHBondContact O-N 3.31Å; V117-L121 HydrophobicContact CG1-CD1 3.76Å; V117-L121 HydrophobicContact CG1-CG 4.3Å; V117-L121 WeakPolarHBondContact O-CB 3.43Å; V117-L121 VanDerWaalsContact O-CG 3.26Å; V117-L121 WeakPolarHBondContact O-CG 3.2Å; V117-L121 PolarHBondContact O-N 3.24Å |
| 118 | S | 94.5 | Very high | 95 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 178 | -62 | 0 | 0 | 0 | 0 | 112.2 | I70 L114 W115 F116 C120 L121 L122 | I70-S118 WeakPolarHBondContact CD1-OG 3.38Å; L114-S118 WeakPolarHBondContact O-CB 3.5Å; L114-S118 PolarHBondContact O-N 2.88Å; L114-S118 PolarHBondContact O-OG 2.96Å; W115-S118 PolarHBondContact O-N 3.32Å; F116-S118 VanDerWaalsContact C-N 3.31Å; F116-S118 PolarHBondContact O-N 3.04Å; S118-C120 PolarHBondContact O-N 3.38Å; S118-L121 PolarHBondContact O-N 3.23Å; S118-L122 WeakPolarHBondContact O-CB 3.5Å; S118-L122 VanDerWaalsContact O-CG 3.23Å; S118-L122 WeakPolarHBondContact O-CG 3.11Å; S118-L122 PolarHBondContact O-N 3.5Å |
| 119 | F | 95.9 | Very high | 94.6 | Very high | 54 Ų | 54 | 54.7 Ų | 54.7 | 24% | 0.237 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.3 | -49.1 | 175.5 | 166.8 | -106.4 | 0 | 0 | 0 | 111.3 | W115 F116 L121 L122 A123 I151 F155 I158 | W115-F119 WeakPolarHBondContact O-CB 3.42Å; W115-F119 PolarHBondContact O-N 3.01Å; F116-F119 PolarHBondContact O-N 3.01Å; F119-L121 VanDerWaalsContact C-N 3.32Å; F119-L121 PolarHBondContact O-N 2.8Å; F119-L122 PolarHBondContact O-N 3.46Å; F119-A123 HydrophobicContact CE2-CB 4.3Å; F119-A123 HydrophobicContact CZ-CB 4.45Å; F119-A123 VanDerWaalsContact O-CB 3.22Å; F119-A123 WeakPolarHBondContact O-CB 3.5Å; F119-A123 PolarHBondContact O-N 3.19Å; F119-I151 HydrophobicContact CD2-CG2 3.99Å; F119-I151 HydrophobicContact CE2-CG2 3.8Å; F119-F155 HydrophobicContact CD1-CD2 4.3Å; F119-F155 HydrophobicContact CD2-CB 3.67Å; F119-F155 HydrophobicContact CD2-CD2 4.39Å; F119-F155 HydrophobicContact CD2-CG 4.5Å; F119-F155 HydrophobicContact CE1-CD2 4Å; F119-F155 HydrophobicContact CE2-CB 3.76Å; F119-F155 HydrophobicContact CE2-CD2 4.1Å; F119-F155 HydrophobicContact CE2-CG 4.27Å; F119-F155 HydrophobicContact CG-CB 4.25Å; F119-F155 HydrophobicContact CG-CD2 4.47Å; F119-F155 HydrophobicContact CZ-CB 4.42Å; F119-F155 AromaticContact CZ-CD2 3.9Å; F119-F155 HydrophobicContact CZ-CD2 3.9Å; F119-F155 HydrophobicContact CZ-CG 4.48Å; F119-I158 HydrophobicContact CB-CD1 3.98Å; F119-I158 HydrophobicContact CD1-CD1 4.17Å; F119-I158 HydrophobicContact CG-CD1 4.22Å |
| 120 | C | 95.4 | Very high | 94.1 | Very high | 54 Ų | 54 | 56.3 Ų | 56.3 | 37% | 0.365 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.8 | -43.1 | 178.6 | -69.7 | 0 | 0 | 0 | 0 | 112.1 | F116 V117 S118 N124 | F116-C120 PolarHBondContact O-N 3.5Å; F116-C120 PolarHBondContact O-SG 2.9Å; V117-C120 PolarHBondContact O-N 3.31Å; S118-C120 PolarHBondContact O-N 3.38Å; C120-N124 WeakPolarHBondContact O-CB 3.34Å; C120-N124 PolarHBondContact O-N 3.39Å |
| 121 | L | 93.5 | Very high | 93.5 | Very high | 68 Ų | 68 | 58.6 Ų | 58.6 | 36% | 0.356 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.3 | -48.7 | 178.1 | -72.2 | 170.7 | 0 | 0 | 0 | 111.9 | L66 V117 S118 F119 N124 K125 | L66-L121 HydrophobicContact CD2-CD1 3.41Å; L66-L121 VanDerWaalsContact CD2-CD1 3.41Å; V117-L121 HydrophobicContact CG1-CD1 3.76Å; V117-L121 HydrophobicContact CG1-CG 4.3Å; V117-L121 WeakPolarHBondContact O-CB 3.43Å; V117-L121 VanDerWaalsContact O-CG 3.26Å; V117-L121 WeakPolarHBondContact O-CG 3.2Å; V117-L121 PolarHBondContact O-N 3.24Å; S118-L121 PolarHBondContact O-N 3.23Å; F119-L121 VanDerWaalsContact C-N 3.32Å; F119-L121 PolarHBondContact O-N 2.8Å; L121-N124 PolarHBondContact O-N 2.9Å; L121-K125 WeakPolarHBondContact O-CB 3.36Å; L121-K125 VanDerWaalsContact O-CG 3.23Å; L121-K125 WeakPolarHBondContact O-CG 3.42Å; L121-K125 PolarHBondContact O-N 3.3Å |
| 122 | L | 92.8 | Very high | 93 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.9 | -46.2 | -179.8 | -70.3 | 171.4 | 0 | 0 | 0 | 111.3 | I44 F57 P67 S118 F119 K125 W126 I151 S154 | I44-L122 HydrophobicContact CD1-CD1 4.47Å; F57-L122 HydrophobicContact CD1-CB 4.49Å; F57-L122 HydrophobicContact CD1-CD2 3.89Å; F57-L122 HydrophobicContact CD2-CD2 3.61Å; F57-L122 HydrophobicContact CE1-CB 4.15Å; F57-L122 HydrophobicContact CE1-CD2 3.75Å; F57-L122 HydrophobicContact CE2-CD2 3.48Å; F57-L122 VanDerWaalsContact CE2-CD2 3.48Å; F57-L122 HydrophobicContact CG-CD2 3.81Å; F57-L122 HydrophobicContact CZ-CD2 3.56Å; P67-L122 HydrophobicContact CB-CD1 4.22Å; P67-L122 HydrophobicContact CG-CD1 3.92Å; P67-L122 HydrophobicContact CG-CD2 4.07Å; P67-L122 HydrophobicContact CG-CG 3.99Å; S118-L122 WeakPolarHBondContact O-CB 3.5Å; S118-L122 VanDerWaalsContact O-CG 3.23Å; S118-L122 WeakPolarHBondContact O-CG 3.11Å; S118-L122 PolarHBondContact O-N 3.5Å; F119-L122 PolarHBondContact O-N 3.46Å; L122-K125 PolarHBondContact O-N 2.95Å; L122-W126 WeakPolarHBondContact O-CB 3.05Å; L122-W126 PolarHBondContact O-N 3.39Å; L122-I151 HydrophobicContact CB-CG1 3.93Å; L122-S154 WeakPolarHBondContact CD1-OG 3.44Å |
| 123 | A | 93.9 | Very high | 92.5 | Very high | 26 Ų | 26 | 65.7 Ų | 65.7 | 22% | 0.215 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.6 | -47 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F119 K125 W126 T127 I151 | F119-A123 HydrophobicContact CE2-CB 4.3Å; F119-A123 HydrophobicContact CZ-CB 4.45Å; F119-A123 VanDerWaalsContact O-CB 3.22Å; F119-A123 WeakPolarHBondContact O-CB 3.5Å; F119-A123 PolarHBondContact O-N 3.19Å; A123-K125 PolarHBondContact O-N 3.43Å; A123-W126 PolarHBondContact O-N 3.09Å; A123-T127 PolarHBondContact O-N 3.21Å; A123-T127 PolarHBondContact O-OG1 3.31Å; A123-I151 HydrophobicContact CB-CG2 4.38Å |
| 124 | N | 93.4 | Very high | 92 | Very high | 98 Ų | 98 | 60.3 Ų | 60.3 | 52% | 0.524 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 178.2 | -176.9 | -28.5 | 0 | 0 | 0 | 111.2 | C120 L121 W126 T127 N128 | C120-N124 WeakPolarHBondContact O-CB 3.34Å; C120-N124 PolarHBondContact O-N 3.39Å; L121-N124 PolarHBondContact O-N 2.9Å; N124-W126 PolarHBondContact O-N 3.06Å; N124-T127 PolarHBondContact O-N 3.45Å; N124-N128 PolarHBondContact O-N 2.88Å; N124-N128 VanDerWaalsContact O-N 3.16Å; N124-N128 PolarHBondContact O-ND2 2.88Å; N124-N128 PolarHBondContact OD1-ND2 3.47Å |
| 125 | K | 92.7 | Very high | 91.5 | Very high | 60 Ų | 60 | 61 Ų | 61 | 26% | 0.261 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 179.4 | -69.6 | -67.9 | -177 | 174.2 | 0 | 112.5 | F57 T60 A63 L121 L122 A123 N128 T129 | F57-K125 HydrophobicContact CB-CB 3.73Å; F57-K125 HydrophobicContact CB-CG 4.41Å; F57-K125 HydrophobicContact CD1-CB 4.19Å; F57-K125 HydrophobicContact CG-CB 4.46Å; T60-K125 VanDerWaalsContact OG1-CE 3.29Å; T60-K125 WeakPolarHBondContact OG1-CE 3.37Å; T60-K125 PolarHBondContact OG1-NZ 3.41Å; A63-K125 HydrophobicContact CB-CG 4.11Å; L121-K125 WeakPolarHBondContact O-CB 3.36Å; L121-K125 VanDerWaalsContact O-CG 3.23Å; L121-K125 WeakPolarHBondContact O-CG 3.42Å; L121-K125 PolarHBondContact O-N 3.3Å; L122-K125 PolarHBondContact O-N 2.95Å; A123-K125 PolarHBondContact O-N 3.43Å; K125-N128 PolarHBondContact O-N 3.27Å; K125-T129 PolarHBondContact O-N 3.45Å; K125-T129 VanDerWaalsContact O-N 3.16Å; K125-T129 PolarHBondContact O-OG1 3.39Å |
| 126 | W | 91.3 | Very high | 91 | Very high | 47 Ų | 47 | 67.9 Ų | 67.9 | 18% | 0.178 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 177.2 | -171.7 | -102.7 | 0 | 0 | 0 | 111.8 | I56 F57 L122 A123 N124 N128 T129 E144 A147 R148 I151 | I56-W126 HydrophobicContact CG2-CZ3 3.78Å; F57-W126 HydrophobicContact CD1-CB 4.15Å; F57-W126 HydrophobicContact CD1-CE3 4.15Å; F57-W126 HydrophobicContact CE1-CB 4.01Å; F57-W126 HydrophobicContact CE1-CD2 4.37Å; F57-W126 AromaticContact CE1-CE3 3.77Å; F57-W126 HydrophobicContact CE1-CE3 3.77Å; F57-W126 HydrophobicContact CE1-CG 4.5Å; F57-W126 HydrophobicContact CZ-CE3 4.41Å; L122-W126 WeakPolarHBondContact O-CB 3.05Å; L122-W126 PolarHBondContact O-N 3.39Å; A123-W126 PolarHBondContact O-N 3.09Å; N124-W126 PolarHBondContact O-N 3.06Å; W126-N128 PolarHBondContact O-N 3.34Å; W126-T129 PolarHBondContact O-N 2.98Å; W126-T129 VanDerWaalsContact O-N 3.1Å; W126-E144 HydrophobicContact CH2-CB 4.04Å; W126-E144 HydrophobicContact CH2-CG 4.11Å; W126-A147 HydrophobicContact CE3-CB 3.7Å; W126-A147 HydrophobicContact CH2-CB 3.79Å; W126-A147 HydrophobicContact CZ3-CB 3.22Å; W126-R148 HydrophobicContact CZ2-CG 3.8Å; W126-I151 HydrophobicContact CB-CD1 3.56Å; W126-I151 HydrophobicContact CD2-CD1 4.05Å; W126-I151 HydrophobicContact CG-CD1 3.48Å; W126-I151 VanDerWaalsContact CG-CD1 3.48Å |
| 127 | T | 91.3 | Very high | 90.4 | Very high | 118 Ų | 118 | 64.6 Ų | 64.6 | 72% | 0.724 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.9 | -27.3 | 178.3 | -64.1 | 0 | 0 | 0 | 0 | 113.6 | A123 N124 | A123-T127 PolarHBondContact O-N 3.21Å; A123-T127 PolarHBondContact O-OG1 3.31Å; N124-T127 PolarHBondContact O-N 3.45Å |
| 128 | N | 89.4 | Confident | 89.9 | Confident | 122 Ų | 122 | 70 Ų | 70 | 65% | 0.652 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -2.3 | 176.7 | -75.6 | -81.8 | 0 | 0 | 0 | 113.8 | N124 K125 W126 | N124-N128 PolarHBondContact O-N 2.88Å; N124-N128 VanDerWaalsContact O-N 3.16Å; N124-N128 PolarHBondContact O-ND2 2.88Å; N124-N128 PolarHBondContact OD1-ND2 3.47Å; K125-N128 PolarHBondContact O-N 3.27Å; W126-N128 PolarHBondContact O-N 3.34Å |
| 129 | T | 86.9 | Confident | 89.6 | Confident | 18 Ų | 18 | 70.8 Ų | 70.8 | 11% | 0.11 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -84.2 | 117.9 | 176.8 | -59.2 | 0 | 0 | 0 | 0 | 108.6 | K125 W126 W133 L134 | K125-T129 PolarHBondContact O-N 3.45Å; K125-T129 VanDerWaalsContact O-N 3.16Å; K125-T129 PolarHBondContact O-OG1 3.39Å; W126-T129 PolarHBondContact O-N 2.98Å; W126-T129 VanDerWaalsContact O-N 3.1Å; T129-W133 HydrophobicContact CG2-CD2 4.35Å; T129-W133 HydrophobicContact CG2-CE3 3.56Å; T129-W133 HydrophobicContact CG2-CZ3 4.07Å; T129-L134 HydrophobicContact CG2-CD1 4.47Å; T129-L134 HydrophobicContact CG2-CD2 3.77Å; T129-L134 HydrophobicContact CG2-CG 3.91Å |
| 130 | S | 86.2 | Confident | 89.2 | Confident | 62 Ų | 62 | 72.9 Ų | 72.9 | 43% | 0.434 | 39% | 0.389 | S | S | . | . | trans | -79 | 147.2 | -178.8 | 62.4 | 0 | 0 | 0 | 0 | 112 | E132 W133 L134 | S130-E132 PolarHBondContact O-N 3.02Å; S130-W133 WeakPolarHBondContact O-CB 3.44Å; S130-W133 PolarHBondContact O-N 3.45Å; S130-W133 WeakPolarHBondContact OG-CB 3.4Å; S130-W133 PolarHBondContact OG-N 3.49Å; S130-L134 PolarHBondContact O-N 3.09Å; S130-L134 VanDerWaalsContact O-N 3.11Å | ||
| 131 | D | 85.7 | Confident | 88.9 | Confident | 138 Ų | 138 | 72.5 Ų | 72.5 | 74% | 0.738 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -59.3 | -32.7 | 174.8 | -64.2 | -25.4 | 0 | 0 | 0 | 111.8 | L134 G135 | D131-L134 PolarHBondContact O-N 3.03Å; D131-G135 PolarHBondContact O-N 3.41Å |
| 132 | E | 87.5 | Confident | 88.8 | Confident | 160 Ų | 160 | 75.5 Ų | 75.5 | 75% | 0.748 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.2 | -42.6 | 173.4 | -173.9 | 179.4 | -173.5 | 0 | 0 | 111.9 | S130 G135 Q136 | S130-E132 PolarHBondContact O-N 3.02Å; E132-G135 PolarHBondContact O-N 2.76Å; E132-Q136 WeakPolarHBondContact O-CB 3.29Å; E132-Q136 PolarHBondContact O-N 2.91Å |
| 133 | W | 87.8 | Confident | 88.7 | Confident | 40 Ų | 40 | 75.9 Ų | 75.9 | 15% | 0.152 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 177.4 | -177.3 | 93.2 | 0 | 0 | 0 | 111.4 | T50 I54 I56 T59 T129 S130 Q136 H137 V139 | T50-W133 HydrophobicContact CG2-CH2 4.07Å; I54-W133 HydrophobicContact CG2-CH2 4.44Å; I54-W133 HydrophobicContact CG2-CZ2 4.03Å; I56-W133 HydrophobicContact CG2-CZ3 4.36Å; T59-W133 HydrophobicContact CG2-CZ2 3.76Å; T129-W133 HydrophobicContact CG2-CD2 4.35Å; T129-W133 HydrophobicContact CG2-CE3 3.56Å; T129-W133 HydrophobicContact CG2-CZ3 4.07Å; S130-W133 WeakPolarHBondContact O-CB 3.44Å; S130-W133 PolarHBondContact O-N 3.45Å; S130-W133 WeakPolarHBondContact OG-CB 3.4Å; S130-W133 PolarHBondContact OG-N 3.49Å; W133-Q136 PolarHBondContact O-N 3.31Å; W133-H137 AromaticContact CD1-CE1 3.49Å; W133-H137 VanDerWaalsContact CD1-CE1 3.49Å; W133-H137 AromaticContact CD1-ND1 3.72Å; W133-H137 AromaticContact CD2-ND1 3.64Å; W133-H137 AromaticContact CE2-CE1 3.44Å; W133-H137 VanDerWaalsContact CE2-CE1 3.44Å; W133-H137 AromaticContact CE2-CG 3.99Å; W133-H137 AromaticContact CE2-ND1 3.4Å; W133-H137 AromaticContact CG-ND1 3.83Å; W133-H137 AromaticContact CZ2-CE1 3.95Å; W133-H137 AromaticContact CZ2-CG 3.97Å; W133-H137 AromaticContact CZ2-ND1 3.86Å; W133-H137 AromaticContact NE1-CE1 3.08Å; W133-H137 PolarHBondContact NE1-CE1 3Å; W133-H137 AromaticContact NE1-ND1 3.48Å; W133-H137 PolarHBondContact NE1-ND1 3.32Å; W133-H137 AromaticContact NE1-NE2 3.79Å; W133-H137 PolarHBondContact O-N 3.09Å; W133-H137 PolarHBondContact O-ND1 2.71Å; W133-V139 HydrophobicContact CZ3-CG2 4.41Å |
| 134 | L | 86.7 | Confident | 88.5 | Confident | 11 Ų | 11 | 76.9 Ų | 76.9 | 6% | 0.058 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 175.5 | -66.5 | 174.3 | 0 | 0 | 0 | 111.2 | I56 T129 S130 D131 H137 K138 V139 | I56-L134 HydrophobicContact CG2-CD2 3.9Å; T129-L134 HydrophobicContact CG2-CD1 4.47Å; T129-L134 HydrophobicContact CG2-CD2 3.77Å; T129-L134 HydrophobicContact CG2-CG 3.91Å; S130-L134 PolarHBondContact O-N 3.09Å; S130-L134 VanDerWaalsContact O-N 3.11Å; D131-L134 PolarHBondContact O-N 3.03Å; L134-H137 PolarHBondContact O-N 3.16Å; L134-K138 PolarHBondContact O-N 3.11Å; L134-V139 HydrophobicContact CB-CB 4.35Å; L134-V139 HydrophobicContact CD2-CB 4.08Å; L134-V139 HydrophobicContact CD2-CG1 4.15Å; L134-V139 HydrophobicContact CD2-CG2 3.86Å; L134-V139 PolarHBondContact O-N 2.94Å |
| 135 | G | 85.9 | Confident | 88.5 | Confident | 56 Ų | 56 | 75.4 Ų | 75.4 | 58% | 0.577 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.2 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D131 E132 H137 K138 | D131-G135 PolarHBondContact O-N 3.41Å; E132-G135 PolarHBondContact O-N 2.76Å; G135-H137 VanDerWaalsContact C-N 3.29Å; G135-H137 PolarHBondContact O-N 2.64Å; G135-K138 PolarHBondContact O-N 3.34Å |
| 136 | Q | 87.3 | Confident | 88.5 | Confident | 145 Ų | 145 | 74.4 Ų | 74.4 | 68% | 0.678 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -62.1 | -36.4 | 178.8 | -172.1 | -175.7 | -9.2 | 0 | 0 | 112.2 | E132 W133 K138 | E132-Q136 WeakPolarHBondContact O-CB 3.29Å; E132-Q136 PolarHBondContact O-N 2.91Å; W133-Q136 PolarHBondContact O-N 3.31Å; Q136-K138 VanDerWaalsContact C-N 3.33Å |
| 137 | H | 85.1 | Confident | 88.5 | Confident | 36 Ų | 36 | 72.1 Ų | 72.1 | 17% | 0.167 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 7.8 | -179.6 | -66.7 | 78.8 | 0 | 0 | 0 | 113.9 | T50 W133 L134 G135 V139 | T50-H137 HydrophobicContact CG2-CB 3.87Å; W133-H137 AromaticContact CD1-CE1 3.49Å; W133-H137 VanDerWaalsContact CD1-CE1 3.49Å; W133-H137 AromaticContact CD1-ND1 3.72Å; W133-H137 AromaticContact CD2-ND1 3.64Å; W133-H137 AromaticContact CE2-CE1 3.44Å; W133-H137 VanDerWaalsContact CE2-CE1 3.44Å; W133-H137 AromaticContact CE2-CG 3.99Å; W133-H137 AromaticContact CE2-ND1 3.4Å; W133-H137 AromaticContact CG-ND1 3.83Å; W133-H137 AromaticContact CZ2-CE1 3.95Å; W133-H137 AromaticContact CZ2-CG 3.97Å; W133-H137 AromaticContact CZ2-ND1 3.86Å; W133-H137 AromaticContact NE1-CE1 3.08Å; W133-H137 PolarHBondContact NE1-CE1 3Å; W133-H137 AromaticContact NE1-ND1 3.48Å; W133-H137 PolarHBondContact NE1-ND1 3.32Å; W133-H137 AromaticContact NE1-NE2 3.79Å; W133-H137 PolarHBondContact O-N 3.09Å; W133-H137 PolarHBondContact O-ND1 2.71Å; L134-H137 PolarHBondContact O-N 3.16Å; G135-H137 VanDerWaalsContact C-N 3.29Å; G135-H137 PolarHBondContact O-N 2.64Å; H137-V139 VanDerWaalsContact C-N 3.26Å; H137-V139 HydrophobicContact CB-CG2 4.28Å; H137-V139 PolarHBondContact O-N 2.9Å |
| 138 | K | 85.7 | Confident | 88.6 | Confident | 156 Ų | 156 | 72.9 Ų | 72.9 | 68% | 0.678 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 45.5 | -179.5 | -56.6 | -177.8 | 179.2 | -176.6 | 0 | 112 | L134 G135 Q136 E140 | L134-K138 PolarHBondContact O-N 3.11Å; G135-K138 PolarHBondContact O-N 3.34Å; Q136-K138 VanDerWaalsContact C-N 3.33Å; K138-E140 PolarHBondContact O-N 2.95Å |
| 139 | V | 87.2 | Confident | 88.9 | Confident | 17 Ų | 17 | 69.2 Ų | 69.2 | 10% | 0.103 | 36% | 0.362 | C | S | . | . | trans | -69.1 | 121.4 | 175.6 | 178.1 | 0 | 0 | 0 | 0 | 108.5 | T50 I56 W133 L134 H137 Q143 E144 | T50-V139 HydrophobicContact CG2-CG2 4.2Å; I56-V139 HydrophobicContact CD1-CG1 3.81Å; I56-V139 HydrophobicContact CD1-CG2 4.37Å; I56-V139 HydrophobicContact CG1-CG2 4.38Å; W133-V139 HydrophobicContact CZ3-CG2 4.41Å; L134-V139 HydrophobicContact CB-CB 4.35Å; L134-V139 HydrophobicContact CD2-CB 4.08Å; L134-V139 HydrophobicContact CD2-CG1 4.15Å; L134-V139 HydrophobicContact CD2-CG2 3.86Å; L134-V139 PolarHBondContact O-N 2.94Å; H137-V139 VanDerWaalsContact C-N 3.26Å; H137-V139 HydrophobicContact CB-CG2 4.28Å; H137-V139 PolarHBondContact O-N 2.9Å; V139-Q143 HydrophobicContact CG1-CB 3.76Å; V139-E144 HydrophobicContact CG1-CG 4.06Å | ||
| 140 | E | 88.4 | Confident | 89.3 | Confident | 99 Ų | 99 | 68.3 Ų | 68.3 | 46% | 0.463 | 36% | 0.357 | S | S | . | . | trans | -79.2 | 151.9 | -179.4 | -64 | -67.2 | 151.8 | 0 | 0 | 111 | K138 W142 Q143 E144 | K138-E140 PolarHBondContact O-N 2.95Å; E140-W142 VanDerWaalsContact CB-CD1 3.4Å; E140-W142 HydrophobicContact CB-CG 4.38Å; E140-W142 VanDerWaalsContact CB-NE1 3.3Å; E140-W142 PolarHBondContact O-N 3.5Å; E140-W142 VanDerWaalsContact O-N 3.08Å; E140-Q143 HydrophobicContact CB-CG 4.23Å; E140-Q143 WeakPolarHBondContact O-CA 3.18Å; E140-Q143 VanDerWaalsContact O-CB 3.26Å; E140-Q143 WeakPolarHBondContact O-CB 3.14Å; E140-Q143 PolarHBondContact O-N 2.92Å; E140-E144 PolarHBondContact O-N 3.4Å | ||
| 141 | G | 88.4 | Confident | 89.7 | Confident | 45 Ų | 45 | 66.4 Ų | 66.4 | 46% | 0.464 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.1 | -27 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q143 S145 | G141-Q143 VanDerWaalsContact C-N 3.32Å; G141-S145 PolarHBondContact O-N 3.29Å; G141-S145 VanDerWaalsContact O-N 3.07Å; G141-S145 PolarHBondContact O-OG 2.84Å |
| 142 | W | 90.7 | Very high | 90.2 | Very high | 132 Ų | 132 | 64.2 Ų | 64.2 | 50% | 0.5 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.2 | -29 | 174.1 | 70.6 | -92.4 | 0 | 0 | 0 | 112.4 | S46 G47 E140 S145 N146 | S46-W142 WeakPolarHBondContact O-CH2 3.33Å; G47-W142 VanDerWaalsContact CA-CZ3 3.4Å; E140-W142 VanDerWaalsContact CB-CD1 3.4Å; E140-W142 HydrophobicContact CB-CG 4.38Å; E140-W142 VanDerWaalsContact CB-NE1 3.3Å; E140-W142 PolarHBondContact O-N 3.5Å; E140-W142 VanDerWaalsContact O-N 3.08Å; W142-S145 PolarHBondContact O-N 3.35Å; W142-N146 PolarHBondContact O-N 3.43Å |
| 143 | Q | 91.3 | Very high | 90.7 | Very high | 8 Ų | 8 | 59.2 Ų | 59.2 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.1 | -42.1 | 175.7 | -58.9 | -171.5 | -85.7 | 0 | 0 | 111.2 | G47 H49 I56 V139 E140 G141 S145 N146 A147 | G47-Q143 VanDerWaalsContact O-CB 3.3Å; G47-Q143 WeakPolarHBondContact O-CB 3.46Å; G47-Q143 WeakPolarHBondContact O-CG 3.34Å; G47-Q143 PolarHBondContact O-NE2 2.92Å; H49-Q143 PolarHBondContact O-NE2 3.3Å; I56-Q143 HydrophobicContact CD1-CB 3.68Å; I56-Q143 HydrophobicContact CD1-CG 4.47Å; V139-Q143 HydrophobicContact CG1-CB 3.76Å; E140-Q143 HydrophobicContact CB-CG 4.23Å; E140-Q143 WeakPolarHBondContact O-CA 3.18Å; E140-Q143 VanDerWaalsContact O-CB 3.26Å; E140-Q143 WeakPolarHBondContact O-CB 3.14Å; E140-Q143 PolarHBondContact O-N 2.92Å; G141-Q143 VanDerWaalsContact C-N 3.32Å; Q143-S145 VanDerWaalsContact C-N 3.29Å; Q143-S145 PolarHBondContact O-N 3.44Å; Q143-N146 PolarHBondContact O-N 2.92Å; Q143-A147 PolarHBondContact O-N 2.03Å |
| 144 | E | 90.1 | Very high | 91 | Very high | 47 Ų | 47 | 57.3 Ų | 57.3 | 22% | 0.22 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 172.4 | -67 | -170.8 | -142 | 0 | 0 | 111.7 | W126 V139 E140 N146 A147 R148 | W126-E144 HydrophobicContact CH2-CB 4.04Å; W126-E144 HydrophobicContact CH2-CG 4.11Å; V139-E144 HydrophobicContact CG1-CG 4.06Å; E140-E144 PolarHBondContact O-N 3.4Å; E144-N146 VanDerWaalsContact C-N 3.34Å; E144-N146 PolarHBondContact O-N 2.87Å; E144-A147 PolarHBondContact O-N 3.37Å; E144-R148 VanDerWaalsContact O-CG 3.28Å; E144-R148 WeakPolarHBondContact O-CG 3.47Å; E144-R148 PolarHBondContact O-N 3.31Å; E144-R148 IonicContact OE2-CZ 3.82Å; E144-R148 IonicContact OE2-NH2 2.72Å; E144-R148 PolarHBondContact OE2-NH2 2.86Å |
| 145 | S | 92.4 | Very high | 91.5 | Very high | 67 Ų | 67 | 62.6 Ų | 62.6 | 47% | 0.469 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 176.6 | -59.7 | 0 | 0 | 0 | 0 | 110.7 | G141 W142 Q143 A147 R148 S149 | G141-S145 PolarHBondContact O-N 3.29Å; G141-S145 VanDerWaalsContact O-N 3.07Å; G141-S145 PolarHBondContact O-OG 2.84Å; W142-S145 PolarHBondContact O-N 3.35Å; Q143-S145 VanDerWaalsContact C-N 3.29Å; Q143-S145 PolarHBondContact O-N 3.44Å; S145-A147 PolarHBondContact O-N 3.32Å; S145-R148 PolarHBondContact O-N 3.24Å; S145-S149 WeakPolarHBondContact O-CB 3.26Å; S145-S149 PolarHBondContact O-N 2.87Å; S145-S149 PolarHBondContact O-OG 3.31Å |
| 146 | N | 93.3 | Very high | 92.1 | Very high | 38 Ų | 38 | 63.5 Ų | 63.5 | 20% | 0.203 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 175.3 | -77.8 | 0.3 | 0 | 0 | 0 | 112.6 | W142 Q143 E144 S149 A150 | W142-N146 PolarHBondContact O-N 3.43Å; Q143-N146 PolarHBondContact O-N 2.92Å; E144-N146 VanDerWaalsContact C-N 3.34Å; E144-N146 PolarHBondContact O-N 2.87Å; N146-S149 PolarHBondContact O-N 3.35Å; N146-A150 WeakPolarHBondContact O-CB 3.44Å; N146-A150 PolarHBondContact O-N 3Å |
| 147 | A | 92.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.9 | -45 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F57 W126 Q143 E144 S145 S149 A150 I151 | F57-A147 HydrophobicContact CE1-CB 4.28Å; F57-A147 HydrophobicContact CE2-CB 4.14Å; F57-A147 HydrophobicContact CZ-CB 3.64Å; W126-A147 HydrophobicContact CE3-CB 3.7Å; W126-A147 HydrophobicContact CH2-CB 3.79Å; W126-A147 HydrophobicContact CZ3-CB 3.22Å; Q143-A147 PolarHBondContact O-N 2.03Å; E144-A147 PolarHBondContact O-N 3.37Å; S145-A147 PolarHBondContact O-N 3.32Å; A147-S149 PolarHBondContact O-N 2.68Å; A147-A150 PolarHBondContact O-N 2.8Å; A147-I151 WeakPolarHBondContact O-CG1 3.46Å; A147-I151 PolarHBondContact O-N 3.29Å; A147-I151 VanDerWaalsContact O-N 3.16Å |
| 148 | R | 93.3 | Very high | 93.1 | Very high | 134 Ų | 134 | 56.5 Ų | 56.5 | 51% | 0.506 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 175.1 | -67.2 | 175 | -163.4 | -162.3 | 6.7 | 111.4 | W126 E144 S145 I151 V152 | W126-R148 HydrophobicContact CZ2-CG 3.8Å; E144-R148 VanDerWaalsContact O-CG 3.28Å; E144-R148 WeakPolarHBondContact O-CG 3.47Å; E144-R148 PolarHBondContact O-N 3.31Å; E144-R148 IonicContact OE2-CZ 3.82Å; E144-R148 IonicContact OE2-NH2 2.72Å; E144-R148 PolarHBondContact OE2-NH2 2.86Å; S145-R148 PolarHBondContact O-N 3.24Å; R148-I151 PolarHBondContact O-N 3.01Å; R148-V152 WeakPolarHBondContact O-CG2 3.41Å; R148-V152 PolarHBondContact O-N 3.27Å; R148-V152 VanDerWaalsContact O-N 3.11Å |
| 149 | S | 94.6 | Very high | 93.6 | Very high | 44 Ų | 44 | 52.3 Ų | 52.3 | 31% | 0.308 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59 | -47.6 | 173.8 | -65.7 | 0 | 0 | 0 | 0 | 111.3 | S145 N146 A147 I151 V152 F153 | S145-S149 WeakPolarHBondContact O-CB 3.26Å; S145-S149 PolarHBondContact O-N 2.87Å; S145-S149 PolarHBondContact O-OG 3.31Å; N146-S149 PolarHBondContact O-N 3.35Å; A147-S149 PolarHBondContact O-N 2.68Å; S149-I151 VanDerWaalsContact C-N 3.27Å; S149-I151 PolarHBondContact O-N 3.16Å; S149-V152 PolarHBondContact O-N 3.28Å; S149-V152 VanDerWaalsContact O-N 3.12Å; S149-F153 WeakPolarHBondContact O-CB 3.47Å; S149-F153 WeakPolarHBondContact O-CD2 3.34Å; S149-F153 PolarHBondContact O-N 2.86Å |
| 150 | A | 94.7 | Very high | 94 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.3 | -40.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I44 N146 A147 S154 | I44-A150 HydrophobicContact CD1-CB 4.03Å; I44-A150 HydrophobicContact CG1-CB 3.68Å; N146-A150 WeakPolarHBondContact O-CB 3.44Å; N146-A150 PolarHBondContact O-N 3Å; A147-A150 PolarHBondContact O-N 2.8Å; A150-S154 VanDerWaalsContact O-CB 3.26Å; A150-S154 WeakPolarHBondContact O-CB 3.08Å; A150-S154 PolarHBondContact O-N 3.47Å; A150-S154 PolarHBondContact O-OG 3.11Å |
| 151 | I | 95 | Very high | 94.5 | Very high | 22 Ų | 22 | 47.4 Ų | 47.4 | 11% | 0.113 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.8 | -51.1 | 175 | -61.4 | 163.2 | 0 | 0 | 0 | 110.8 | F57 F119 L122 A123 W126 A147 R148 S149 F153 S154 F155 | F57-I151 HydrophobicContact CE1-CD1 4.07Å; F57-I151 HydrophobicContact CE1-CG1 4.08Å; F57-I151 HydrophobicContact CZ-CG1 4.36Å; F119-I151 HydrophobicContact CD2-CG2 3.99Å; F119-I151 HydrophobicContact CE2-CG2 3.8Å; L122-I151 HydrophobicContact CB-CG1 3.93Å; A123-I151 HydrophobicContact CB-CG2 4.38Å; W126-I151 HydrophobicContact CB-CD1 3.56Å; W126-I151 HydrophobicContact CD2-CD1 4.05Å; W126-I151 HydrophobicContact CG-CD1 3.48Å; W126-I151 VanDerWaalsContact CG-CD1 3.48Å; A147-I151 WeakPolarHBondContact O-CG1 3.46Å; A147-I151 PolarHBondContact O-N 3.29Å; A147-I151 VanDerWaalsContact O-N 3.16Å; R148-I151 PolarHBondContact O-N 3.01Å; S149-I151 VanDerWaalsContact C-N 3.27Å; S149-I151 PolarHBondContact O-N 3.16Å; I151-F153 PolarHBondContact O-N 3.5Å; I151-S154 PolarHBondContact O-N 2.86Å; I151-F155 PolarHBondContact O-N 3.32Å |
| 152 | V | 97 | Very high | 94.9 | Very high | 92 Ų | 92 | 46.6 Ų | 46.6 | 56% | 0.558 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.9 | -45 | -177.6 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | R148 S149 F155 L156 | R148-V152 WeakPolarHBondContact O-CG2 3.41Å; R148-V152 PolarHBondContact O-N 3.27Å; R148-V152 VanDerWaalsContact O-N 3.11Å; S149-V152 PolarHBondContact O-N 3.28Å; S149-V152 VanDerWaalsContact O-N 3.12Å; V152-F155 WeakPolarHBondContact O-CB 3.23Å; V152-F155 PolarHBondContact O-N 3.02Å; V152-L156 PolarHBondContact O-N 2.94Å |
| 153 | F | 96.5 | Very high | 95.1 | Very high | 54 Ų | 54 | 41.3 Ų | 41.3 | 24% | 0.237 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72.6 | -28.7 | 179.8 | -76 | -69 | 0 | 0 | 0 | 112.7 | V36 I39 V40 S149 I151 L156 S157 | V36-F153 HydrophobicContact CG1-CB 4.02Å; V36-F153 HydrophobicContact CG1-CD1 4.03Å; V36-F153 HydrophobicContact CG1-CG 4.48Å; V36-F153 WeakPolarHBondContact CG1-O 3.06Å; V36-F153 HydrophobicContact CG2-CD1 4.19Å; I39-F153 HydrophobicContact CB-CD2 4.44Å; I39-F153 HydrophobicContact CD1-CD1 4.45Å; I39-F153 HydrophobicContact CD1-CE1 3.96Å; I39-F153 HydrophobicContact CD1-CZ 4.07Å; I39-F153 HydrophobicContact CG2-CD1 4.36Å; I39-F153 HydrophobicContact CG2-CD2 3.37Å; I39-F153 HydrophobicContact CG2-CE1 4.42Å; I39-F153 HydrophobicContact CG2-CE2 3.49Å; I39-F153 VanDerWaalsContact CG2-CE2 3.49Å; I39-F153 HydrophobicContact CG2-CG 3.87Å; I39-F153 HydrophobicContact CG2-CZ 4.02Å; V40-F153 HydrophobicContact CG2-CB 3.42Å; V40-F153 VanDerWaalsContact CG2-CB 3.42Å; S149-F153 WeakPolarHBondContact O-CB 3.47Å; S149-F153 WeakPolarHBondContact O-CD2 3.34Å; S149-F153 PolarHBondContact O-N 2.86Å; I151-F153 PolarHBondContact O-N 3.5Å; F153-L156 HydrophobicContact CD1-CD2 4.21Å; F153-L156 HydrophobicContact CE1-CD2 4.45Å; F153-S157 WeakPolarHBondContact O-CB 3.45Å; F153-S157 PolarHBondContact O-N 3.29Å; F153-S157 PolarHBondContact O-OG 2.95Å |
| 154 | S | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65 | -42.4 | 169.5 | -62.1 | 0 | 0 | 0 | 0 | 111.3 | W115 L122 A150 I151 S157 I158 | W115-S154 WeakPolarHBondContact CZ3-OG 3.21Å; L122-S154 WeakPolarHBondContact CD1-OG 3.44Å; A150-S154 VanDerWaalsContact O-CB 3.26Å; A150-S154 WeakPolarHBondContact O-CB 3.08Å; A150-S154 PolarHBondContact O-N 3.47Å; A150-S154 PolarHBondContact O-OG 3.11Å; I151-S154 PolarHBondContact O-N 2.86Å; S154-S157 WeakPolarHBondContact O-CB 3.41Å; S154-S157 PolarHBondContact O-N 3.12Å; S154-I158 WeakPolarHBondContact O-CG1 3.39Å; S154-I158 PolarHBondContact O-N 3.01Å |
| 155 | F | 96.9 | Very high | 95.6 | Very high | 122 Ų | 122 | 39.7 Ų | 39.7 | 54% | 0.535 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.6 | -48.2 | 174.6 | 178.6 | -103.3 | 0 | 0 | 0 | 112 | F119 I151 V152 S157 I158 | F119-F155 HydrophobicContact CD1-CD2 4.3Å; F119-F155 HydrophobicContact CD2-CB 3.67Å; F119-F155 HydrophobicContact CD2-CD2 4.39Å; F119-F155 HydrophobicContact CD2-CG 4.5Å; F119-F155 HydrophobicContact CE1-CD2 4Å; F119-F155 HydrophobicContact CE2-CB 3.76Å; F119-F155 HydrophobicContact CE2-CD2 4.1Å; F119-F155 HydrophobicContact CE2-CG 4.27Å; F119-F155 HydrophobicContact CG-CB 4.25Å; F119-F155 HydrophobicContact CG-CD2 4.47Å; F119-F155 HydrophobicContact CZ-CB 4.42Å; F119-F155 AromaticContact CZ-CD2 3.9Å; F119-F155 HydrophobicContact CZ-CD2 3.9Å; F119-F155 HydrophobicContact CZ-CG 4.48Å; I151-F155 PolarHBondContact O-N 3.32Å; V152-F155 WeakPolarHBondContact O-CB 3.23Å; V152-F155 PolarHBondContact O-N 3.02Å; F155-S157 PolarHBondContact O-N 3.28Å; F155-I158 HydrophobicContact CD2-CD1 4.2Å; F155-I158 WeakPolarHBondContact O-CB 3.26Å; F155-I158 PolarHBondContact O-N 3.5Å; F155-I158 VanDerWaalsContact O-N 3.09Å |
| 156 | L | 96.8 | Very high | 95.8 | Very high | 75 Ų | 75 | 41.9 Ų | 41.9 | 39% | 0.393 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.5 | -37.1 | 177.7 | -177.4 | 62.4 | 0 | 0 | 0 | 111.8 | V36 V152 F153 I158 A159 I160 | V36-L156 HydrophobicContact CG2-CD2 4.18Å; V152-L156 PolarHBondContact O-N 2.94Å; F153-L156 HydrophobicContact CD1-CD2 4.21Å; F153-L156 HydrophobicContact CE1-CD2 4.45Å; L156-I158 VanDerWaalsContact C-N 3.27Å; L156-I158 PolarHBondContact O-N 3.26Å; L156-A159 PolarHBondContact O-N 3.28Å; L156-A159 VanDerWaalsContact O-N 3.16Å; L156-I160 HydrophobicContact CD1-CD1 4.47Å; L156-I160 HydrophobicContact CD2-CD1 4.29Å; L156-I160 HydrophobicContact CG-CD1 3.8Å; L156-I160 HydrophobicContact CG-CG1 4.43Å; L156-I160 WeakPolarHBondContact O-CG1 3.36Å; L156-I160 PolarHBondContact O-N 2.86Å; L156-I160 VanDerWaalsContact O-N 3.09Å |
| 157 | S | 96.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.3 | -38.3 | 176.1 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | V36 W115 F153 S154 F155 A159 I160 W161 | V36-S157 WeakPolarHBondContact CG1-OG 3.48Å; W115-S157 VanDerWaalsContact CG-CB 3.44Å; F153-S157 WeakPolarHBondContact O-CB 3.45Å; F153-S157 PolarHBondContact O-N 3.29Å; F153-S157 PolarHBondContact O-OG 2.95Å; S154-S157 WeakPolarHBondContact O-CB 3.41Å; S154-S157 PolarHBondContact O-N 3.12Å; F155-S157 PolarHBondContact O-N 3.28Å; S157-A159 VanDerWaalsContact C-N 3.28Å; S157-A159 PolarHBondContact O-N 2.93Å; S157-I160 PolarHBondContact O-N 3.46Å; S157-W161 WeakPolarHBondContact O-CB 3.33Å; S157-W161 PolarHBondContact O-N 3.47Å |
| 158 | I | 97.4 | Very high | 95.8 | Very high | 34 Ų | 34 | 43.2 Ų | 43.2 | 17% | 0.174 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.2 | -46.4 | 177.5 | -56.1 | 162.7 | 0 | 0 | 0 | 110.5 | T112 W115 F116 F119 S154 F155 L156 G162 | T112-I158 HydrophobicContact CG2-CG2 4.22Å; W115-I158 HydrophobicContact CB-CG1 4.01Å; F116-I158 HydrophobicContact CB-CD1 4.15Å; F116-I158 HydrophobicContact CB-CG1 4.22Å; F116-I158 HydrophobicContact CD2-CD1 4.12Å; F119-I158 HydrophobicContact CB-CD1 3.98Å; F119-I158 HydrophobicContact CD1-CD1 4.17Å; F119-I158 HydrophobicContact CG-CD1 4.22Å; S154-I158 WeakPolarHBondContact O-CG1 3.39Å; S154-I158 PolarHBondContact O-N 3.01Å; F155-I158 HydrophobicContact CD2-CD1 4.2Å; F155-I158 WeakPolarHBondContact O-CB 3.26Å; F155-I158 PolarHBondContact O-N 3.5Å; F155-I158 VanDerWaalsContact O-N 3.09Å; L156-I158 VanDerWaalsContact C-N 3.27Å; L156-I158 PolarHBondContact O-N 3.26Å; I158-G162 PolarHBondContact O-N 3.36Å |
| 159 | A | 96.2 | Very high | 95.8 | Very high | 67 Ų | 67 | 40.3 Ų | 40.3 | 55% | 0.554 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -67.4 | -41.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L156 S157 G162 G163 | L156-A159 PolarHBondContact O-N 3.28Å; L156-A159 VanDerWaalsContact O-N 3.16Å; S157-A159 VanDerWaalsContact C-N 3.28Å; S157-A159 PolarHBondContact O-N 2.93Å; A159-G162 PolarHBondContact O-N 2.86Å; A159-G163 PolarHBondContact O-N 3.29Å |
| 160 | I | 96.6 | Very high | 95.7 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 6% | 0.062 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.5 | -51.9 | 178.9 | -65.8 | 161.3 | 0 | 0 | 0 | 110.6 | V32 V36 L156 S157 G162 G163 I164 | V32-I160 HydrophobicContact CG1-CD1 3.72Å; V32-I160 HydrophobicContact CG1-CG1 4.39Å; V36-I160 HydrophobicContact CB-CD1 4.34Å; V36-I160 HydrophobicContact CG2-CD1 3.76Å; L156-I160 HydrophobicContact CD1-CD1 4.47Å; L156-I160 HydrophobicContact CD2-CD1 4.29Å; L156-I160 HydrophobicContact CG-CD1 3.8Å; L156-I160 HydrophobicContact CG-CG1 4.43Å; L156-I160 WeakPolarHBondContact O-CG1 3.36Å; L156-I160 PolarHBondContact O-N 2.86Å; L156-I160 VanDerWaalsContact O-N 3.09Å; S157-I160 PolarHBondContact O-N 3.46Å; I160-G162 VanDerWaalsContact C-N 3.32Å; I160-G162 PolarHBondContact O-N 3.3Å; I160-G163 WeakPolarHBondContact O-CA 3.5Å; I160-G163 PolarHBondContact O-N 3.44Å; I160-G163 VanDerWaalsContact O-N 3.12Å; I160-I164 HydrophobicContact CG2-CD1 4.04Å; I160-I164 WeakPolarHBondContact O-CG1 3.34Å; I160-I164 PolarHBondContact O-N 2.96Å |
| 161 | W | 97.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.2 | -35.9 | 179.2 | -76.3 | 95.3 | 0 | 0 | 0 | 111.9 | A74 E78 F107 W111 T112 W115 S157 G163 I164 T165 | A74-W161 HydrophobicContact CB-CZ2 3.78Å; E78-W161 HydrophobicContact CG-CH2 3.69Å; E78-W161 HydrophobicContact CG-CZ2 3.92Å; E78-W161 VanDerWaalsContact OE1-CH2 3.24Å; E78-W161 WeakPolarHBondContact OE1-CH2 3.4Å; F107-W161 HydrophobicContact CD1-CH2 4.04Å; F107-W161 AromaticContact CD1-CZ3 3.85Å; F107-W161 HydrophobicContact CD1-CZ3 3.85Å; F107-W161 AromaticContact CE1-CH2 3.61Å; F107-W161 HydrophobicContact CE1-CH2 3.61Å; F107-W161 AromaticContact CE1-CZ3 3.92Å; F107-W161 HydrophobicContact CE1-CZ3 3.92Å; W111-W161 HydrophobicContact CB-CD2 3.56Å; W111-W161 HydrophobicContact CB-CE3 3.41Å; W111-W161 VanDerWaalsContact CB-CE3 3.41Å; W111-W161 HydrophobicContact CB-CG 4.2Å; W111-W161 HydrophobicContact CB-CH2 4.02Å; W111-W161 HydrophobicContact CB-CZ2 4.16Å; W111-W161 HydrophobicContact CB-CZ3 3.65Å; W111-W161 AromaticContact CD1-CE2 3.73Å; W111-W161 AromaticContact CD1-CZ2 3.6Å; W111-W161 HydrophobicContact CG-CD2 4.22Å; W111-W161 HydrophobicContact CG-CE3 4.2Å; W111-W161 AromaticContact CG-CH2 3.93Å; W111-W161 HydrophobicContact CG-CH2 3.93Å; W111-W161 AromaticContact CG-CZ2 3.95Å; W111-W161 HydrophobicContact CG-CZ2 3.95Å; W111-W161 HydrophobicContact CG-CZ3 4.06Å; T112-W161 VanDerWaalsContact OG1-CB 3.26Å; T112-W161 WeakPolarHBondContact OG1-CB 3.47Å; T112-W161 PolarHBondContact OG1-O 3.4Å; W115-W161 AromaticContact CD1-CD1 3.18Å; W115-W161 AromaticContact CD1-CG 3.88Å; W115-W161 AromaticContact CD1-NE1 3.38Å; W115-W161 AromaticContact NE1-CD1 3.39Å; W115-W161 AromaticContact NE1-CE2 3.85Å; W115-W161 AromaticContact NE1-NE1 3.05Å; S157-W161 WeakPolarHBondContact O-CB 3.33Å; S157-W161 PolarHBondContact O-N 3.47Å; W161-G163 VanDerWaalsContact C-N 3.34Å; W161-G163 PolarHBondContact O-N 3.03Å; W161-I164 HydrophobicContact CE3-CD1 4.47Å; W161-I164 PolarHBondContact O-N 3.37Å; W161-T165 WeakPolarHBondContact O-CB 3.3Å; W161-T165 PolarHBondContact O-N 2.86Å; W161-T165 PolarHBondContact O-OG1 3.23Å |
| 162 | G | 97.1 | Very high | 95.1 | Very high | 29 Ų | 29 | 46.5 Ų | 46.5 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.4 | -41.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T112 I158 A159 I160 T165 F166 | T112-G162 PolarHBondContact OG1-N 3.47Å; I158-G162 PolarHBondContact O-N 3.36Å; A159-G162 PolarHBondContact O-N 2.86Å; I160-G162 VanDerWaalsContact C-N 3.32Å; I160-G162 PolarHBondContact O-N 3.3Å; G162-T165 PolarHBondContact O-N 3.47Å; G162-F166 WeakPolarHBondContact O-CB 3.45Å; G162-F166 PolarHBondContact O-N 2.87Å |
| 163 | G | 96.3 | Very high | 94.8 | Very high | 21 Ų | 21 | 51 Ų | 51 | 22% | 0.216 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63 | -45.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A159 I160 W161 T165 F166 F167 | A159-G163 PolarHBondContact O-N 3.29Å; I160-G163 WeakPolarHBondContact O-CA 3.5Å; I160-G163 PolarHBondContact O-N 3.44Å; I160-G163 VanDerWaalsContact O-N 3.12Å; W161-G163 VanDerWaalsContact C-N 3.34Å; W161-G163 PolarHBondContact O-N 3.03Å; G163-T165 PolarHBondContact O-N 3.38Å; G163-F166 WeakPolarHBondContact O-CB 3.39Å; G163-F166 PolarHBondContact O-N 3.36Å; G163-F167 WeakPolarHBondContact O-CD2 3.49Å; G163-F167 PolarHBondContact O-N 2.86Å |
| 164 | I | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60 | -47.3 | 175.3 | -64.5 | 168.6 | 0 | 0 | 0 | 110.2 | L29 R30 E78 I160 W161 F166 F167 A168 | L29-I164 HydrophobicContact CB-CD1 4.26Å; L29-I164 HydrophobicContact CB-CG1 3.72Å; L29-I164 HydrophobicContact CD1-CG1 4.32Å; R30-I164 HydrophobicContact CG-CD1 4.33Å; E78-I164 WeakPolarHBondContact OE1-CD1 3.46Å; I160-I164 HydrophobicContact CG2-CD1 4.04Å; I160-I164 WeakPolarHBondContact O-CG1 3.34Å; I160-I164 PolarHBondContact O-N 2.96Å; W161-I164 HydrophobicContact CE3-CD1 4.47Å; W161-I164 PolarHBondContact O-N 3.37Å; I164-F166 VanDerWaalsContact C-N 3.3Å; I164-F166 PolarHBondContact O-N 3.47Å; I164-F167 PolarHBondContact O-N 3.45Å; I164-A168 WeakPolarHBondContact O-CB 3.47Å; I164-A168 PolarHBondContact O-N 3.36Å |
| 165 | T | 96.3 | Very high | 93.7 | Very high | 21 Ų | 21 | 57.1 Ų | 57.1 | 13% | 0.129 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.1 | -44.5 | 176.7 | -53.2 | 0 | 0 | 0 | 0 | 110.9 | L105 S108 G109 T112 W161 G162 G163 A168 L169 | L105-T165 HydrophobicContact CD1-CG2 3.93Å; S108-T165 WeakPolarHBondContact CB-OG1 3.4Å; S108-T165 PolarHBondContact O-OG1 3.32Å; S108-T165 PolarHBondContact OG-OG1 3.5Å; G109-T165 PolarHBondContact N-OG1 3.02Å; T112-T165 PolarHBondContact OG1-OG1 2.87Å; W161-T165 WeakPolarHBondContact O-CB 3.3Å; W161-T165 PolarHBondContact O-N 2.86Å; W161-T165 PolarHBondContact O-OG1 3.23Å; G162-T165 PolarHBondContact O-N 3.47Å; G163-T165 PolarHBondContact O-N 3.38Å; T165-A168 PolarHBondContact O-N 3.33Å; T165-L169 HydrophobicContact CG2-CD1 4.38Å; T165-L169 WeakPolarHBondContact O-CB 3.47Å; T165-L169 WeakPolarHBondContact O-CG 3.37Å; T165-L169 PolarHBondContact O-N 3.08Å |
| 166 | F | 95.8 | Very high | 92.7 | Very high | 112 Ų | 112 | 55.5 Ų | 55.5 | 49% | 0.491 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 177.8 | 175.2 | -98.3 | 0 | 0 | 0 | 112.3 | G162 G163 I164 L169 Q170 | G162-F166 WeakPolarHBondContact O-CB 3.45Å; G162-F166 PolarHBondContact O-N 2.87Å; G163-F166 WeakPolarHBondContact O-CB 3.39Å; G163-F166 PolarHBondContact O-N 3.36Å; I164-F166 VanDerWaalsContact C-N 3.3Å; I164-F166 PolarHBondContact O-N 3.47Å; F166-L169 WeakPolarHBondContact O-CB 3.41Å; F166-L169 PolarHBondContact O-N 3.31Å; F166-Q170 HydrophobicContact CD1-CG 4.49Å; F166-Q170 VanDerWaalsContact CE1-CD 3.41Å; F166-Q170 HydrophobicContact CE1-CG 4.11Å; F166-Q170 HydrophobicContact CZ-CG 4.18Å; F166-Q170 WeakPolarHBondContact O-CG 3.15Å; F166-Q170 PolarHBondContact O-N 3.07Å |
| 167 | F | 93.3 | Very high | 91.4 | Very high | 63 Ų | 63 | 54.2 Ų | 54.2 | 28% | 0.276 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.9 | -36.8 | 176.6 | -75.1 | -67.4 | 0 | 0 | 0 | 112.7 | P25 V26 L29 G163 I164 L169 Q170 R171 | P25-F167 HydrophobicContact CB-CZ 4.18Å; P25-F167 HydrophobicContact CG-CE1 4.3Å; P25-F167 HydrophobicContact CG-CZ 4.31Å; V26-F167 HydrophobicContact CG2-CB 3.38Å; V26-F167 HydrophobicContact CG2-CD1 4.06Å; V26-F167 HydrophobicContact CG2-CD2 3.96Å; V26-F167 HydrophobicContact CG2-CG 3.55Å; L29-F167 HydrophobicContact CD1-CD2 3.69Å; L29-F167 HydrophobicContact CD1-CE2 3.63Å; G163-F167 WeakPolarHBondContact O-CD2 3.49Å; G163-F167 PolarHBondContact O-N 2.86Å; I164-F167 PolarHBondContact O-N 3.45Å; F167-L169 VanDerWaalsContact C-N 3.33Å; F167-L169 PolarHBondContact O-N 3.45Å; F167-Q170 PolarHBondContact O-N 2.92Å; F167-R171 PolarHBondContact O-N 2.88Å |
| 168 | A | 92.1 | Very high | 89.6 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 3% | 0.033 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L105 I164 T165 R171 F172 | L105-A168 HydrophobicContact CB-CB 4.21Å; L105-A168 HydrophobicContact CD1-CB 4.2Å; I164-A168 WeakPolarHBondContact O-CB 3.47Å; I164-A168 PolarHBondContact O-N 3.36Å; T165-A168 PolarHBondContact O-N 3.33Å; A168-R171 PolarHBondContact O-N 3.32Å; A168-F172 VanDerWaalsContact O-CB 3.31Å; A168-F172 WeakPolarHBondContact O-CB 3.2Å; A168-F172 PolarHBondContact O-N 3.16Å |
| 169 | L | 93.4 | Very high | 87.6 | Confident | 73 Ų | 73 | 60.4 Ų | 60.4 | 38% | 0.382 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 172.4 | -75.8 | 171.4 | 0 | 0 | 0 | 111.9 | L105 T165 F166 F167 F172 R173 | L105-L169 HydrophobicContact CD1-CB 4.42Å; L105-L169 HydrophobicContact CD1-CD1 4.45Å; L105-L169 HydrophobicContact CD1-CD2 3.42Å; L105-L169 VanDerWaalsContact CD1-CD2 3.42Å; L105-L169 HydrophobicContact CD1-CG 3.43Å; L105-L169 VanDerWaalsContact CD1-CG 3.43Å; L105-L169 HydrophobicContact CD2-CD2 3.61Å; L105-L169 HydrophobicContact CD2-CG 4.47Å; L105-L169 HydrophobicContact CG-CD2 4.13Å; T165-L169 HydrophobicContact CG2-CD1 4.38Å; T165-L169 WeakPolarHBondContact O-CB 3.47Å; T165-L169 WeakPolarHBondContact O-CG 3.37Å; T165-L169 PolarHBondContact O-N 3.08Å; F166-L169 WeakPolarHBondContact O-CB 3.41Å; F166-L169 PolarHBondContact O-N 3.31Å; F167-L169 VanDerWaalsContact C-N 3.33Å; F167-L169 PolarHBondContact O-N 3.45Å; L169-F172 PolarHBondContact O-N 3.47Å; L169-R173 WeakPolarHBondContact O-CB 3.29Å; L169-R173 VanDerWaalsContact O-CG 3.27Å; L169-R173 WeakPolarHBondContact O-CG 3.23Å; L169-R173 PolarHBondContact O-N 2.86Å |
| 170 | Q | 92.2 | Very high | 85.2 | Confident | 73 Ų | 73 | 60.1 Ų | 60.1 | 34% | 0.341 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.8 | -47.9 | 176.7 | -73.2 | -173.5 | -31.2 | 0 | 0 | 111.4 | F166 F167 F172 R173 M174 | F166-Q170 HydrophobicContact CD1-CG 4.49Å; F166-Q170 VanDerWaalsContact CE1-CD 3.41Å; F166-Q170 HydrophobicContact CE1-CG 4.11Å; F166-Q170 HydrophobicContact CZ-CG 4.18Å; F166-Q170 WeakPolarHBondContact O-CG 3.15Å; F166-Q170 PolarHBondContact O-N 3.07Å; F167-Q170 PolarHBondContact O-N 2.92Å; Q170-F172 VanDerWaalsContact C-N 3.32Å; Q170-F172 PolarHBondContact O-N 3.5Å; Q170-R173 PolarHBondContact O-N 2.72Å; Q170-M174 WeakPolarHBondContact O-CG 3.22Å; Q170-M174 PolarHBondContact O-N 3.1Å |
| 171 | R | 88.6 | Confident | 82.9 | Confident | 75 Ų | 75 | 64.4 Ų | 64.4 | 28% | 0.283 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61 | -41.3 | 177.2 | -169.8 | -179.4 | -167.2 | 173.6 | 16.9 | 112.1 | D85 F88 V101 F167 A168 G175 | D85-R171 IonicContact OD1-CZ 3.81Å; D85-R171 IonicContact OD1-NH1 2.71Å; D85-R171 PolarHBondContact OD1-NH1 2.84Å; F88-R171 VanDerWaalsContact CD2-NH2 3.25Å; F88-R171 VanDerWaalsContact CZ-CZ 3.48Å; F88-R171 VanDerWaalsContact CZ-NH2 3.26Å; V101-R171 HydrophobicContact CG1-CB 4.4Å; V101-R171 HydrophobicContact CG1-CG 4.32Å; V101-R171 HydrophobicContact CG2-CG 4.14Å; F167-R171 PolarHBondContact O-N 2.88Å; A168-R171 PolarHBondContact O-N 3.32Å; R171-G175 PolarHBondContact O-N 2.95Å |
| 172 | F | 89.4 | Confident | 80.8 | Confident | 48 Ų | 48 | 73.3 Ų | 73.3 | 21% | 0.211 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 176.2 | -178.1 | -116.1 | 0 | 0 | 0 | 111.9 | V101 I102 L105 A168 L169 Q170 G175 Q176 | V101-F172 HydrophobicContact CG1-CB 3.83Å; V101-F172 HydrophobicContact CG1-CD2 4.26Å; I102-F172 HydrophobicContact CD1-CE2 3.91Å; I102-F172 HydrophobicContact CG1-CD2 3.95Å; I102-F172 HydrophobicContact CG1-CE2 3.44Å; I102-F172 VanDerWaalsContact CG1-CE2 3.44Å; I102-F172 HydrophobicContact CG1-CZ 4.27Å; L105-F172 HydrophobicContact CD2-CD1 4.24Å; L105-F172 HydrophobicContact CD2-CG 4.37Å; A168-F172 VanDerWaalsContact O-CB 3.31Å; A168-F172 WeakPolarHBondContact O-CB 3.2Å; A168-F172 PolarHBondContact O-N 3.16Å; L169-F172 PolarHBondContact O-N 3.47Å; Q170-F172 VanDerWaalsContact C-N 3.32Å; Q170-F172 PolarHBondContact O-N 3.5Å; F172-G175 PolarHBondContact O-N 3.08Å; F172-Q176 WeakPolarHBondContact O-CG 3.26Å; F172-Q176 PolarHBondContact O-N 3.48Å; F172-Q176 VanDerWaalsContact O-N 3.11Å |
| 173 | R | 90.5 | Very high | 78.5 | Confident | 186 Ų | 186 | 78.5 Ų | 78.5 | 70% | 0.702 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -67 | -43.8 | 177.9 | -70.8 | 174.3 | 69.6 | 145 | 4.1 | 112.5 | L169 Q170 G175 Q176 A177 | L169-R173 WeakPolarHBondContact O-CB 3.29Å; L169-R173 VanDerWaalsContact O-CG 3.27Å; L169-R173 WeakPolarHBondContact O-CG 3.23Å; L169-R173 PolarHBondContact O-N 2.86Å; Q170-R173 PolarHBondContact O-N 2.72Å; R173-G175 VanDerWaalsContact C-N 3.28Å; R173-G175 PolarHBondContact O-N 3.16Å; R173-Q176 PolarHBondContact O-N 3.27Å; R173-A177 PolarHBondContact O-N 2.97Å |
| 174 | M | 86.4 | Confident | 75.9 | Confident | 137 Ų | 137 | 80.5 Ų | 80.5 | 68% | 0.675 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -59.6 | -40.9 | 174.5 | -69 | 168.2 | -179 | 0 | 0 | 111.4 | Q170 Q176 A177 G178 | Q170-M174 WeakPolarHBondContact O-CG 3.22Å; Q170-M174 PolarHBondContact O-N 3.1Å; M174-Q176 VanDerWaalsContact C-N 3.27Å; M174-Q176 PolarHBondContact O-N 3.37Å; M174-A177 PolarHBondContact O-N 3.19Å; M174-G178 PolarHBondContact O-N 3.23Å |
| 175 | G | 82.2 | Confident | 73.2 | Confident | 45 Ų | 45 | 88.1 Ų | 88.1 | 46% | 0.464 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.2 | -21.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | R171 F172 R173 L179 | R171-G175 PolarHBondContact O-N 2.95Å; F172-G175 PolarHBondContact O-N 3.08Å; R173-G175 VanDerWaalsContact C-N 3.28Å; R173-G175 PolarHBondContact O-N 3.16Å; G175-L179 WeakPolarHBondContact O-CD1 3.43Å; G175-L179 WeakPolarHBondContact O-CG 3.36Å |
| 176 | Q | 75.9 | Confident | 70.3 | Confident | 88 Ų | 88 | 90.6 Ų | 90.6 | 41% | 0.411 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -84.7 | -36.7 | 174.3 | -74.9 | -170.9 | 7.9 | 0 | 0 | 113.1 | F172 R173 M174 G178 L179 T180 | F172-Q176 WeakPolarHBondContact O-CG 3.26Å; F172-Q176 PolarHBondContact O-N 3.48Å; F172-Q176 VanDerWaalsContact O-N 3.11Å; R173-Q176 PolarHBondContact O-N 3.27Å; M174-Q176 VanDerWaalsContact C-N 3.27Å; M174-Q176 PolarHBondContact O-N 3.37Å; Q176-G178 PolarHBondContact O-N 3.2Å; Q176-L179 WeakPolarHBondContact O-CA 3.28Å; Q176-L179 WeakPolarHBondContact O-CB 3.4Å; Q176-L179 PolarHBondContact O-N 3.36Å; Q176-T180 PolarHBondContact O-N 3.06Å |
| 177 | A | 70 | Confident | 67.6 | Low | 49 Ų | 49 | 94.1 Ų | 94.1 | 41% | 0.405 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.8 | -30.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R173 M174 L179 T180 | R173-A177 PolarHBondContact O-N 2.97Å; M174-A177 PolarHBondContact O-N 3.19Å; A177-L179 PolarHBondContact O-N 3.4Å; A177-T180 PolarHBondContact O-OG1 3.38Å |
| 178 | G | 59.1 | Low | 65 | Low | 69 Ų | 69 | 94.7 Ų | 94.7 | 71% | 0.711 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | M174 Q176 | M174-G178 PolarHBondContact O-N 3.23Å; Q176-G178 PolarHBondContact O-N 3.2Å |
| 179 | L | 54.8 | Low | 62.3 | Low | 96 Ų | 96 | 98.4 Ų | 98.4 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.9 | -12.4 | -177.3 | -69.7 | 170.8 | 0 | 0 | 0 | 113.4 | G175 Q176 A177 P181 | G175-L179 WeakPolarHBondContact O-CD1 3.43Å; G175-L179 WeakPolarHBondContact O-CG 3.36Å; Q176-L179 WeakPolarHBondContact O-CA 3.28Å; Q176-L179 WeakPolarHBondContact O-CB 3.4Å; Q176-L179 PolarHBondContact O-N 3.36Å; A177-L179 PolarHBondContact O-N 3.4Å; L179-P181 WeakPolarHBondContact O-CD 3.35Å |
| 180 | T | 46.8 | Very low | 59.7 | Low | 61 Ų | 61 | 99.2 Ų | 99.2 | 37% | 0.374 | 59% | 0.594 | S | S | . | * | trans | -70.1 | 119.5 | 174.9 | 35.4 | 0 | 0 | 0 | 0 | 109.1 | Q176 A177 E182 E183 G184 | Q176-T180 PolarHBondContact O-N 3.06Å; A177-T180 PolarHBondContact O-OG1 3.38Å; T180-E182 PolarHBondContact O-N 2.93Å; T180-E183 PolarHBondContact O-N 3.38Å; T180-G184 PolarHBondContact O-N 2.86Å | ||
| 181 | P | 48.9 | Very low | 57.1 | Low | 102 Ų | 102 | 102 Ų | 102 | 66% | 0.662 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -15.9 | -179.2 | -24.4 | 34.1 | 0 | 0 | 0 | 114.2 | L179 | L179-P181 WeakPolarHBondContact O-CD 3.35Š|
| 182 | E | 52 | Low | 55 | Low | 187 Ų | 187 | 107.2 Ų | 107.2 | 87% | 0.874 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -14.5 | -175.8 | -69.1 | -179.1 | 102.3 | 0 | 0 | 114.2 | T180 | T180-E182 PolarHBondContact O-N 2.93Š|
| 183 | E | 48.7 | Very low | 52.7 | Low | 138 Ų | 138 | 110.7 Ų | 110.7 | 65% | 0.645 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | -11 | 170.6 | -69.9 | 176.7 | 127.9 | 0 | 0 | 112.2 | T180 | T180-E183 PolarHBondContact O-N 3.38Š|
| 184 | G | 41.1 | Very low | 50.5 | Low | 63 Ų | 63 | 107.6 Ų | 107.6 | 65% | 0.649 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 4.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | T180 | T180-G184 PolarHBondContact O-N 2.86Š|
| 185 | L | 40.5 | Very low | 48.5 | Very low | 161 Ų | 161 | 107.2 Ų | 107.2 | 84% | 0.843 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 3.8 | 174.5 | -91.3 | 153.8 | 0 | 0 | 0 | 113.1 | ||
| 186 | G | 34.8 | Very low | 46.8 | Very low | 72 Ų | 72 | 112.2 Ų | 112.2 | 74% | 0.742 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -113.8 | -11.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 187 | E | 38.3 | Very low | 45.1 | Very low | 186 Ų | 186 | 111.6 Ų | 111.6 | 87% | 0.869 | 71% | 0.71 | S | S | * | * | trans | -126.8 | 59 | 175.7 | -149.5 | 151.8 | 108.5 | 0 | 0 | 109.7 | ||||
| 188 | A | 39.4 | Very low | 43.8 | Very low | 76 Ų | 76 | 116.1 Ų | 116.1 | 63% | 0.628 | 73% | 0.732 | S | S | * | * | trans | -55.7 | 136.5 | 158.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | S190 | A188-S190 PolarHBondContact O-N 3.05Š| ||
| 189 | G | 35.5 | Very low | 42.9 | Very low | 82 Ų | 82 | 118.8 Ų | 118.8 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | trans | -63.8 | 57.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T191 | G189-T191 VanDerWaalsContact C-N 3.31Å; G189-T191 PolarHBondContact O-N 3.11Å; G189-T191 VanDerWaalsContact O-N 3.1Å | ||
| 190 | S | 37.9 | Very low | 42.3 | Very low | 90 Ų | 90 | 117.6 Ų | 117.6 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | trans | -75.8 | 92.4 | 161.6 | 56.2 | 0 | 0 | 0 | 0 | 106.9 | A188 M192 | A188-S190 PolarHBondContact O-N 3.05Å; S190-M192 PolarHBondContact O-N 3.38Å | ||
| 191 | T | 39.2 | Very low | 42.1 | Very low | 131 Ų | 131 | 123.4 Ų | 123.4 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -32.8 | 111.2 | 143.4 | 46.2 | 0 | 0 | 0 | 0 | 108.5 | G189 D193 | G189-T191 VanDerWaalsContact C-N 3.31Å; G189-T191 PolarHBondContact O-N 3.11Å; G189-T191 VanDerWaalsContact O-N 3.1Å; T191-D193 VanDerWaalsContact C-N 3.35Å; T191-D193 PolarHBondContact O-N 2.89Å | ||
| 192 | M | 43.2 | Very low | 41.5 | Very low | 184 Ų | 184 | 123.6 Ų | 123.6 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | trans | -61.3 | 101 | 168.4 | -69 | -160.9 | -153.2 | 0 | 0 | 107.4 | S190 | S190-M192 PolarHBondContact O-N 3.38Š| ||
| 193 | D | 42.2 | Very low | 41.1 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 65% | 0.652 | 77% | 0.774 | S | S | * | * | trans | -86.1 | 113.5 | 151.4 | -170.1 | -25.4 | 0 | 0 | 0 | 106.5 | T191 N195 | T191-D193 VanDerWaalsContact C-N 3.35Å; T191-D193 PolarHBondContact O-N 2.89Å; D193-N195 PolarHBondContact O-N 3.02Å; D193-N195 PolarHBondContact OD1-N 3.26Å | ||
| 194 | P | 44.7 | Very low | 40.6 | Very low | 120 Ų | 120 | 125 Ų | 125 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | -77 | 9.7 | -178.6 | 1.1 | 13.3 | 0 | 0 | 0 | 114.6 | ||||
| 195 | N | 44.1 | Very low | 40.5 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | -117.8 | 87.2 | 179.5 | -84.8 | -26.3 | 0 | 0 | 0 | 111.6 | D193 | D193-N195 PolarHBondContact O-N 3.02Å; D193-N195 PolarHBondContact OD1-N 3.26Å | ||
| 196 | T | 45.7 | Very low | 40.6 | Very low | 149 Ų | 149 | 126.6 Ų | 126.6 | 91% | 0.914 | 79% | 0.787 | S | S | * | * | trans | 169.2 | 88.9 | 141.3 | 32.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 197 | G | 39.5 | Very low | 40.9 | Very low | 76 Ų | 76 | 132 Ų | 132 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | -119.8 | 95.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 198 | V | 43.4 | Very low | 41 | Very low | 143 Ų | 143 | 128 Ų | 128 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -153.1 | 122.2 | 148.3 | -171.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 199 | P | 39.8 | Very low | 41 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -96.8 | 141.9 | -177.4 | 34.9 | -29.5 | 0 | 0 | 0 | 112.9 | ||||
| 200 | G | 43.4 | Very low | 41.3 | Very low | 71 Ų | 71 | 133.3 Ų | 133.3 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | -176.2 | 109.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 201 | Q | 41.5 | Very low | 41.3 | Very low | 182 Ų | 182 | 137.9 Ų | 137.9 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | 89.5 | 122.8 | 147.7 | -61 | -63.1 | -38.8 | 0 | 0 | 120.6 | ||||
| 202 | P | 37.3 | Very low | 41.2 | Very low | 106 Ų | 106 | 137 Ų | 137 | 69% | 0.688 | 81% | 0.805 | S | S | * | * | trans | -100.5 | 146.5 | 173.6 | 36.9 | -28.4 | 0 | 0 | 0 | 112.8 | ||||
| 203 | Y | 42.8 | Very low | 41.1 | Very low | 232 Ų | 232 | 138 Ų | 138 | 91% | 0.91 | 81% | 0.808 | S | S | * | * | trans | -139.5 | 125.6 | 159 | -113.2 | -87.7 | 0 | 0 | 0 | 110.8 | ||||
| 204 | P | 37.8 | Very low | 40.9 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | trans | -97.8 | 145.8 | -178.1 | 35.3 | -29.8 | 0 | 0 | 0 | 112.1 | ||||
| 205 | G | 40 | Very low | 40.6 | Very low | 64 Ų | 64 | 142.7 Ų | 142.7 | 66% | 0.66 | 82% | 0.815 | S | S | * | * | trans | 175.5 | 119.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 206 | M | 42.5 | Very low | 40.5 | Very low | 193 Ų | 193 | 146.2 Ų | 146.2 | 95% | 0.951 | 83% | 0.828 | S | S | * | * | trans | 91.4 | 81.1 | 140.2 | -36.8 | -155.9 | -157.5 | 0 | 0 | 118.8 | ||||
| 207 | M | 41.1 | Very low | 40.4 | Very low | 185 Ų | 185 | 147.7 Ų | 147.7 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | 31.5 | 142.2 | 120.6 | -153.1 | 137.2 | -174.2 | 0 | 0 | 122.4 | |||||
| 208 | S | 40.9 | Very low | 40.4 | Very low | 103 Ų | 103 | 152.3 Ų | 152.3 | 72% | 0.72 | 83% | 0.825 | S | S | * | * | trans | 77.4 | 131 | 164.3 | 66.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 209 | D | 38.8 | Very low | 40.4 | Very low | 154 Ų | 154 | 150.5 Ų | 150.5 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | cis | -159.5 | 164.9 | 11.9 | -109.8 | -35 | 0 | 0 | 0 | 108.8 | ||||
| 210 | P | 42.5 | Very low | 40.3 | Very low | 114 Ų | 114 | 155.8 Ų | 155.8 | 74% | 0.74 | 82% | 0.822 | S | S | * | * | trans | -91.1 | 141.8 | -175.7 | 35.1 | -29.4 | 0 | 0 | 0 | 112.2 | ||||
| 211 | M | 36.2 | Very low | 40.5 | Very low | 186 Ų | 186 | 155.6 Ų | 155.6 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | 138.6 | 86.7 | 151.6 | -169.7 | -172.1 | -55.6 | 0 | 0 | 112.6 | ||||
| 212 | S | 38.8 | Very low | 40.3 | Very low | 113 Ų | 113 | 150.5 Ų | 150.5 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | trans | -178.8 | 93.8 | 150.3 | 56 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 213 | Q | 40.4 | Very low | 40.3 | Very low | 204 Ų | 204 | 152.8 Ų | 152.8 | 95% | 0.953 | 82% | 0.822 | S | S | * | * | trans | -142.5 | 81.6 | 150.3 | -75.1 | -158.8 | 11 | 0 | 0 | 109.3 | ||||
| 214 | Q | 38.7 | Very low | 40 | Very low | 171 Ų | 171 | 148.6 Ų | 148.6 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | trans | -110.3 | 134 | 152.8 | -97.5 | -171.2 | -16.6 | 0 | 0 | 107.4 | ||||
| 215 | Q | 37.7 | Very low | 40.3 | Very low | 170 Ų | 170 | 152.1 Ų | 152.1 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | 74 | 115.9 | 155 | -60.1 | 172.4 | 8.8 | 0 | 0 | 118.9 | ||||
| 216 | Q | 42.1 | Very low | 40.4 | Very low | 204 Ų | 204 | 158 Ų | 158 | 95% | 0.953 | 83% | 0.831 | S | S | * | * | -159.3 | 127.4 | 125.2 | -105.8 | 167.4 | 33.1 | 0 | 0 | 111.1 | |||||
| 217 | Q | 43.2 | Very low | 40.7 | Very low | 181 Ų | 181 | 154.3 Ų | 154.3 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | -111.8 | 139.3 | 177.7 | -71.9 | 177.3 | 4.3 | 0 | 0 | 110 | ||||
| 218 | Q | 38.8 | Very low | 40.8 | Very low | 172 Ų | 172 | 151 Ų | 151 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | 62.2 | 173.3 | 134.6 | -66.1 | -85.4 | -20.5 | 0 | 0 | 119.8 | ||||
| 219 | P | 45 | Very low | 41.1 | Very low | 105 Ų | 105 | 152.9 Ų | 152.9 | 68% | 0.682 | 82% | 0.82 | S | S | * | * | cis | -146.6 | 177.9 | -30.5 | 36.1 | -15.4 | 0 | 0 | 0 | 118.1 | ||||
| 220 | Y | 37.4 | Very low | 41.2 | Very low | 238 Ų | 238 | 149.4 Ų | 149.4 | 93% | 0.933 | 82% | 0.82 | S | S | * | * | trans | 90.1 | 134.3 | 136.4 | -149.9 | -102 | 0 | 0 | 0 | 125.9 | ||||
| 221 | G | 46.8 | Very low | 40.9 | Very low | 67 Ų | 67 | 147.5 Ų | 147.5 | 69% | 0.691 | 82% | 0.821 | S | S | * | * | trans | 109.1 | 133.6 | 153 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 222 | G | 37.8 | Very low | 41.3 | Very low | 74 Ų | 74 | 145.8 Ų | 145.8 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | cis | 134.1 | 103.2 | 3.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 223 | N | 38.1 | Very low | 41.4 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | trans | 127.5 | 112.4 | 151.9 | -73.8 | -33 | 0 | 0 | 0 | 121.1 | ||||
| 224 | I | 36.1 | Very low | 41.5 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 74% | 0.738 | 82% | 0.815 | S | S | * | * | 51.5 | 110.5 | 128.8 | -43.3 | 175.1 | 0 | 0 | 0 | 121.9 | |||||
| 225 | Q | 42.8 | Very low | 41.4 | Very low | 198 Ų | 198 | 138.1 Ų | 138.1 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | -167.2 | 138.4 | 124.9 | -116.5 | 148.4 | 47 | 0 | 0 | 113.1 | |||||
| 226 | Q | 43.8 | Very low | 41.5 | Very low | 189 Ų | 189 | 140.7 Ų | 140.7 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -92.8 | 167.8 | -171.9 | -100.3 | -178.8 | -4.5 | 0 | 0 | 114.2 | ||||
| 227 | P | 48.5 | Very low | 41.6 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | trans | -107.8 | -171 | -156.8 | 48.7 | -39.3 | 0 | 0 | 0 | 111.9 | ||||
| 228 | P | 43.2 | Very low | 42.6 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | -147.6 | 177.4 | 53.7 | 35.1 | -10.6 | 0 | 0 | 0 | 115.9 | |||||
| 229 | V | 45.8 | Very low | 43.4 | Very low | 143 Ų | 143 | 132.2 Ų | 132.2 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | 159 | 118.7 | 136.6 | 163.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 230 | G | 41.1 | Very low | 43.8 | Very low | 80 Ų | 80 | 134 Ų | 134 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | 93.2 | 122.5 | 141.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 231 | G | 37.9 | Very low | 44 | Very low | 74 Ų | 74 | 135.5 Ų | 135.5 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | 129.8 | 73.6 | 146.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 232 | V | 43.6 | Very low | 43.8 | Very low | 151 Ų | 151 | 139 Ų | 139 | 92% | 0.915 | 82% | 0.818 | S | S | * | * | trans | 38.2 | 113.4 | 131.4 | -169.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 233 | G | 41.6 | Very low | 44.1 | Very low | 80 Ų | 80 | 142.4 Ų | 142.4 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | 107.2 | 116.7 | 126.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 234 | G | 41.3 | Very low | 44.5 | Very low | 76 Ų | 76 | 141.7 Ų | 141.7 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | trans | 114.8 | 72.9 | 149.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | Y236 | G234-Y236 PolarHBondContact O-N 3.26Š| ||
| 235 | Q | 36.9 | Very low | 45 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | -72.8 | 109.5 | 158 | -78.5 | -106.5 | -41.1 | 0 | 0 | 108.8 | ||||
| 236 | Y | 39.2 | Very low | 45.1 | Very low | 225 Ų | 225 | 138.1 Ų | 138.1 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | trans | -98.2 | 107 | 169.4 | -128.5 | -91.5 | 0 | 0 | 0 | 108.5 | G234 | G234-Y236 PolarHBondContact O-N 3.26Š| ||
| 237 | Y | 44.8 | Very low | 45.2 | Very low | 206 Ų | 206 | 134.7 Ų | 134.7 | 81% | 0.808 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 117.7 | 164 | -95.8 | -96.6 | 0 | 0 | 0 | 107.9 | ||
| 238 | G | 63.6 | Low | 44.9 | Very low | 56 Ų | 56 | 136.1 Ų | 136.1 | 58% | 0.577 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 153.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 239 | P | 57.2 | Low | 45.1 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 128.8 | -174.7 | 28.9 | -32.1 | 0 | 0 | 0 | 112.6 | ||
| 240 | T | 52.1 | Low | 45 | Very low | 142 Ų | 142 | 137.3 Ų | 137.3 | 87% | 0.871 | 82% | 0.822 | S | S | * | * | trans | -83.4 | 113.1 | 166.3 | 46.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 241 | Y | 41 | Very low | 45.4 | Very low | 270 Ų | 270 | 142.5 Ų | 142.5 | 100% | 1.059 | 82% | 0.822 | S | S | * | * | trans | -82.4 | 0 | 158.7 | -71 | -83.2 | 0 | 0 | 0 | 110.8 |
Retrieved 241 of 241 residues in 300.4 ms
(Link to these results)