| 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 | 37.7 | Very low | 53.7 | Low | 246 Ų | 246 | 149.9 Ų | 149.9 | 100% | 1.212 | 79% | 0.789 | S | S | * | * | 0 | 105 | 0 | -126.7 | 166.5 | 139.6 | 0 | 0 | 106.3 | E3 | M1-E3 PolarHBondContact O-N 2.74Š| |||
| 2 | A | 40.1 | Very low | 55.4 | Low | 101 Ų | 101 | 150 Ų | 150 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 116.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | L4 | A2-L4 PolarHBondContact O-N 3.16Š|
| 3 | E | 38.8 | Very low | 56.9 | Low | 192 Ų | 192 | 141.8 Ų | 141.8 | 90% | 0.897 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 116.6 | 169.9 | -72.3 | -177.5 | 166.1 | 0 | 0 | 108.4 | M1 | M1-E3 PolarHBondContact O-N 2.74Š|
| 4 | L | 41 | Very low | 58.6 | Low | 157 Ų | 157 | 138.1 Ų | 138.1 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 136.3 | 169.5 | -74.8 | 162.8 | 0 | 0 | 0 | 107.9 | A2 E6 | A2-L4 PolarHBondContact O-N 3.16Å; L4-E6 PolarHBondContact O-N 3.44Å; L4-E6 VanDerWaalsContact O-N 3.09Å |
| 5 | P | 49 | Very low | 60.3 | Low | 120 Ų | 120 | 131.1 Ų | 131.1 | 78% | 0.779 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -61 | 120 | 179.4 | 24 | -30.5 | 0 | 0 | 0 | 108.8 | S7 | P5-S7 PolarHBondContact O-N 3.48Å; P5-S7 VanDerWaalsContact O-N 3.13Å |
| 6 | E | 52.6 | Low | 61.9 | Low | 192 Ų | 192 | 127.4 Ų | 127.4 | 90% | 0.897 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 122 | 174.1 | -76.4 | -172.2 | 147.6 | 0 | 0 | 109.3 | L4 E8 | L4-E6 PolarHBondContact O-N 3.44Å; L4-E6 VanDerWaalsContact O-N 3.09Å; E6-E8 PolarHBondContact O-N 3.36Å; E6-E8 VanDerWaalsContact O-N 3.14Å |
| 7 | S | 58.4 | Low | 63.3 | Low | 108 Ų | 108 | 122.8 Ų | 122.8 | 76% | 0.755 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 118.7 | 177.2 | 57.1 | 0 | 0 | 0 | 0 | 109 | P5 | P5-S7 PolarHBondContact O-N 3.48Å; P5-S7 VanDerWaalsContact O-N 3.13Å |
| 8 | E | 60.9 | Low | 64.7 | Low | 101 Ų | 101 | 119 Ų | 119 | 47% | 0.472 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -51.2 | 124.1 | 179.6 | -174.3 | 169.7 | -147 | 0 | 0 | 109.8 | E6 R10 K16 | E6-E8 PolarHBondContact O-N 3.36Å; E6-E8 VanDerWaalsContact O-N 3.14Å; E8-R10 PolarHBondContact O-N 3.13Å; E8-K16 VanDerWaalsContact CD-NZ 3.29Å; E8-K16 WeakPolarHBondContact OE1-CE 3.47Å; E8-K16 IonicContact OE1-NZ 2.57Å; E8-K16 PolarHBondContact OE1-NZ 2.58Å; E8-K16 IonicContact OE2-NZ 3.21Å; E8-K16 PolarHBondContact OE2-NZ 3.2Å |
| 9 | P | 70.9 | Confident | 66.2 | Low | 71 Ų | 71 | 115.7 Ų | 115.7 | 46% | 0.461 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 134.1 | -173.4 | -19.5 | 26.2 | 0 | 0 | 0 | 110.4 | I11 Y12 | P9-I11 PolarHBondContact O-N 3.03Å; P9-Y12 HydrophobicContact CB-CD2 3.75Å; P9-Y12 HydrophobicContact CB-CE2 4.18Å; P9-Y12 HydrophobicContact CG-CD2 3.64Å; P9-Y12 HydrophobicContact CG-CE2 3.83Å; P9-Y12 PolarHBondContact O-N 3.11Å |
| 10 | R | 70.3 | Confident | 67.4 | Low | 220 Ų | 220 | 110 Ų | 110 | 83% | 0.83 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -48.1 | -33.1 | -175.5 | -168.8 | 179 | -171.9 | 179.4 | 2.6 | 113.3 | E8 S13 V14 | E8-R10 PolarHBondContact O-N 3.13Å; R10-S13 PolarHBondContact O-N 2.78Å; R10-V14 HydrophobicContact CG-CG2 4.5Å; R10-V14 VanDerWaalsContact O-CG2 3.31Å; R10-V14 WeakPolarHBondContact O-CG2 3.44Å; R10-V14 PolarHBondContact O-N 3.2Å |
| 11 | I | 70.8 | Confident | 68.7 | Low | 141 Ų | 141 | 109.3 Ų | 109.3 | 72% | 0.723 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -60.1 | -44.3 | 177.4 | -61.2 | 172.9 | 0 | 0 | 0 | 111.8 | P9 V14 G15 | P9-I11 PolarHBondContact O-N 3.03Å; I11-V14 PolarHBondContact O-N 2.98Å; I11-G15 PolarHBondContact O-N 3Å |
| 12 | Y | 74.3 | Confident | 71.4 | Confident | 151 Ų | 151 | 101.2 Ų | 101.2 | 59% | 0.592 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.3 | -38.7 | 178.6 | -70.9 | -76.5 | 0 | 0 | 0 | 112 | P9 G15 K16 | P9-Y12 HydrophobicContact CB-CD2 3.75Å; P9-Y12 HydrophobicContact CB-CE2 4.18Å; P9-Y12 HydrophobicContact CG-CD2 3.64Å; P9-Y12 HydrophobicContact CG-CE2 3.83Å; P9-Y12 PolarHBondContact O-N 3.11Å; Y12-G15 PolarHBondContact O-N 2.8Å; Y12-K16 WeakPolarHBondContact O-CG 3.47Å; Y12-K16 PolarHBondContact O-N 3.34Å |
| 13 | S | 74.9 | Confident | 74.1 | Confident | 43 Ų | 43 | 96.4 Ų | 96.4 | 30% | 0.301 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 176.3 | -174 | 0 | 0 | 0 | 0 | 111.8 | R10 K16 V17 | R10-S13 PolarHBondContact O-N 2.78Å; S13-K16 PolarHBondContact O-N 3.19Å; S13-V17 WeakPolarHBondContact O-CG2 3.31Å; S13-V17 PolarHBondContact O-N 3.24Å |
| 14 | V | 81.2 | Confident | 76.9 | Confident | 91 Ų | 91 | 88.7 Ų | 88.7 | 55% | 0.552 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.5 | -43.9 | 175.3 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | R10 I11 K16 V17 A18 | R10-V14 HydrophobicContact CG-CG2 4.5Å; R10-V14 VanDerWaalsContact O-CG2 3.31Å; R10-V14 WeakPolarHBondContact O-CG2 3.44Å; R10-V14 PolarHBondContact O-N 3.2Å; I11-V14 PolarHBondContact O-N 2.98Å; V14-K16 PolarHBondContact O-N 3.14Å; V14-V17 PolarHBondContact O-N 2.96Å; V14-A18 PolarHBondContact O-N 3.29Å |
| 15 | G | 84.1 | Confident | 79.6 | Confident | 32 Ų | 32 | 84.9 Ų | 84.9 | 33% | 0.33 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.6 | -44.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | I11 Y12 V17 A18 C19 | I11-G15 PolarHBondContact O-N 3Å; Y12-G15 PolarHBondContact O-N 2.8Å; G15-V17 PolarHBondContact O-N 3.44Å; G15-A18 PolarHBondContact O-N 2.91Å; G15-C19 WeakPolarHBondContact O-CB 3.4Å; G15-C19 PolarHBondContact O-N 2.9Å; G15-C19 PolarHBondContact O-SG 3.12Å; G15-C19 VanDerWaalsContact O-SG 3.33Å |
| 16 | K | 84.9 | Confident | 81.9 | Confident | 73 Ų | 73 | 80.4 Ų | 80.4 | 32% | 0.317 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 176.7 | -70.7 | 175.9 | -167.2 | 170.8 | 0 | 112.7 | E8 Y12 S13 V14 G20 | E8-K16 VanDerWaalsContact CD-NZ 3.29Å; E8-K16 WeakPolarHBondContact OE1-CE 3.47Å; E8-K16 IonicContact OE1-NZ 2.57Å; E8-K16 PolarHBondContact OE1-NZ 2.58Å; E8-K16 IonicContact OE2-NZ 3.21Å; E8-K16 PolarHBondContact OE2-NZ 3.2Å; Y12-K16 WeakPolarHBondContact O-CG 3.47Å; Y12-K16 PolarHBondContact O-N 3.34Å; S13-K16 PolarHBondContact O-N 3.19Å; V14-K16 PolarHBondContact O-N 3.14Å; K16-G20 PolarHBondContact O-N 3.49Å |
| 17 | V | 86.9 | Confident | 84 | Confident | 48 Ų | 48 | 71.2 Ų | 71.2 | 29% | 0.291 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.1 | -48.1 | 175.6 | 173.6 | 0 | 0 | 0 | 0 | 110.3 | S13 V14 G15 C19 G20 I21 H70 | S13-V17 WeakPolarHBondContact O-CG2 3.31Å; S13-V17 PolarHBondContact O-N 3.24Å; V14-V17 PolarHBondContact O-N 2.96Å; G15-V17 PolarHBondContact O-N 3.44Å; V17-C19 PolarHBondContact O-N 3.31Å; V17-G20 PolarHBondContact O-N 3.06Å; V17-I21 HydrophobicContact CG1-CD1 3.78Å; V17-I21 HydrophobicContact CG1-CG1 4.42Å; V17-I21 WeakPolarHBondContact O-CG1 3.37Å; V17-I21 PolarHBondContact O-N 3.34Å; V17-H70 HydrophobicContact CG2-CB 3.84Å |
| 18 | A | 88.8 | Confident | 85.9 | Confident | 55 Ų | 55 | 69.4 Ų | 69.4 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.1 | -47.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V14 G15 G20 I21 L22 | V14-A18 PolarHBondContact O-N 3.29Å; G15-A18 PolarHBondContact O-N 2.91Å; A18-G20 VanDerWaalsContact C-N 3.31Å; A18-G20 PolarHBondContact O-N 3.41Å; A18-I21 PolarHBondContact O-N 2.9Å; A18-L22 VanDerWaalsContact O-CB 3.31Å; A18-L22 WeakPolarHBondContact O-CB 3.44Å; A18-L22 PolarHBondContact O-N 2.92Å |
| 19 | C | 91.5 | Very high | 87.7 | Confident | 57 Ų | 57 | 68.4 Ų | 68.4 | 39% | 0.385 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.7 | -42.4 | 175.3 | -72.4 | 0 | 0 | 0 | 0 | 112.1 | G15 V17 L22 T23 V205 | G15-C19 WeakPolarHBondContact O-CB 3.4Å; G15-C19 PolarHBondContact O-N 2.9Å; G15-C19 PolarHBondContact O-SG 3.12Å; G15-C19 VanDerWaalsContact O-SG 3.33Å; V17-C19 PolarHBondContact O-N 3.31Å; C19-L22 WeakPolarHBondContact O-CB 3.35Å; C19-L22 PolarHBondContact O-N 3.42Å; C19-T23 PolarHBondContact O-N 2.88Å; C19-T23 PolarHBondContact O-OG1 3.43Å; C19-V205 HydrophobicContact CB-CG1 4.06Å; C19-V205 HydrophobicContact CB-CG2 3.89Å |
| 20 | G | 91.9 | Very high | 89 | Confident | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K16 V17 A18 L22 T23 H24 C71 | K16-G20 PolarHBondContact O-N 3.49Å; V17-G20 PolarHBondContact O-N 3.06Å; A18-G20 VanDerWaalsContact C-N 3.31Å; A18-G20 PolarHBondContact O-N 3.41Å; G20-L22 VanDerWaalsContact C-N 3.3Å; G20-L22 PolarHBondContact O-N 3.37Å; G20-T23 PolarHBondContact O-N 3.44Å; G20-H24 PolarHBondContact O-CD2 3.09Å; G20-H24 PolarHBondContact O-N 3.48Å; G20-H24 VanDerWaalsContact O-N 3.14Å; G20-C71 WeakPolarHBondContact CA-SG 3.44Å |
| 21 | I | 93.6 | Very high | 90.4 | Very high | 95 Ų | 95 | 55.1 Ų | 55.1 | 49% | 0.487 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 174.6 | -67.2 | 169.5 | 0 | 0 | 0 | 110.1 | V17 A18 T23 H24 V25 | V17-I21 HydrophobicContact CG1-CD1 3.78Å; V17-I21 HydrophobicContact CG1-CG1 4.42Å; V17-I21 WeakPolarHBondContact O-CG1 3.37Å; V17-I21 PolarHBondContact O-N 3.34Å; A18-I21 PolarHBondContact O-N 2.9Å; I21-T23 VanDerWaalsContact C-N 3.3Å; I21-T23 PolarHBondContact O-N 3.36Å; I21-H24 WeakPolarHBondContact O-CB 3.09Å; I21-H24 PolarHBondContact O-N 3.39Å; I21-V25 HydrophobicContact CG2-CG2 4.5Å; I21-V25 WeakPolarHBondContact O-CG2 3.46Å; I21-V25 PolarHBondContact O-N 2.96Å |
| 22 | L | 94.8 | Very high | 91.7 | Very high | 77 Ų | 77 | 52.3 Ų | 52.3 | 40% | 0.403 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.5 | -44.3 | 176.3 | 178.1 | 63.3 | 0 | 0 | 0 | 111 | A18 C19 G20 H24 V25 L26 | A18-L22 VanDerWaalsContact O-CB 3.31Å; A18-L22 WeakPolarHBondContact O-CB 3.44Å; A18-L22 PolarHBondContact O-N 2.92Å; C19-L22 WeakPolarHBondContact O-CB 3.35Å; C19-L22 PolarHBondContact O-N 3.42Å; G20-L22 VanDerWaalsContact C-N 3.3Å; G20-L22 PolarHBondContact O-N 3.37Å; L22-H24 PolarHBondContact O-N 3.42Å; L22-V25 PolarHBondContact O-N 3.05Å; L22-V25 VanDerWaalsContact O-N 3.17Å; L22-L26 HydrophobicContact CD1-CD1 4.06Å; L22-L26 HydrophobicContact CD1-CD2 4.26Å; L22-L26 HydrophobicContact CD1-CG 3.89Å; L22-L26 HydrophobicContact CD2-CD1 4.35Å; L22-L26 HydrophobicContact CG-CD1 3.78Å; L22-L26 HydrophobicContact CG-CG 4.07Å; L22-L26 WeakPolarHBondContact O-CB 3.28Å; L22-L26 VanDerWaalsContact O-CG 3.24Å; L22-L26 WeakPolarHBondContact O-CG 2.98Å; L22-L26 PolarHBondContact O-N 3.18Å |
| 23 | T | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 177.6 | -55.2 | 0 | 0 | 0 | 0 | 112.8 | C19 G20 I21 V25 L26 C27 T61 L65 V205 | C19-T23 PolarHBondContact O-N 2.88Å; C19-T23 PolarHBondContact O-OG1 3.43Å; G20-T23 PolarHBondContact O-N 3.44Å; I21-T23 VanDerWaalsContact C-N 3.3Å; I21-T23 PolarHBondContact O-N 3.36Å; T23-V25 VanDerWaalsContact C-N 3.32Å; T23-V25 PolarHBondContact O-N 2.92Å; T23-L26 PolarHBondContact O-N 2.91Å; T23-C27 PolarHBondContact O-N 3.38Å; T23-C27 PolarHBondContact O-SG 2.96Å; T23-C27 VanDerWaalsContact O-SG 3.4Å; T23-T61 HydrophobicContact CG2-CG2 3.53Å; T23-L65 HydrophobicContact CG2-CD1 3.83Å; T23-V205 VanDerWaalsContact OG1-CB 3.27Å; T23-V205 WeakPolarHBondContact OG1-CB 3.5Å; T23-V205 VanDerWaalsContact OG1-CG1 3.27Å; T23-V205 WeakPolarHBondContact OG1-CG1 3.11Å |
| 24 | H | 97.2 | Very high | 93.9 | Very high | 29 Ų | 29 | 45.6 Ų | 45.6 | 13% | 0.134 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 173 | -73.8 | -65.6 | 0 | 0 | 0 | 112.3 | G20 I21 L22 C27 V28 E62 L65 C71 P73 | G20-H24 PolarHBondContact O-CD2 3.09Å; G20-H24 PolarHBondContact O-N 3.48Å; G20-H24 VanDerWaalsContact O-N 3.14Å; I21-H24 WeakPolarHBondContact O-CB 3.09Å; I21-H24 PolarHBondContact O-N 3.39Å; L22-H24 PolarHBondContact O-N 3.42Å; H24-C27 PolarHBondContact O-SG 3.24Å; H24-V28 WeakPolarHBondContact O-CG2 3.2Å; H24-V28 PolarHBondContact O-N 3.37Å; H24-E62 IonicContact CE1-OE1 3.12Å; H24-E62 IonicContact CE1-OE2 3.61Å; H24-E62 PolarHBondContact CE1-OE2 3.46Å; H24-E62 IonicContact CG-OE1 3.72Å; H24-E62 IonicContact ND1-OE1 2.98Å; H24-E62 PolarHBondContact ND1-OE1 2.96Å; H24-E62 IonicContact ND1-OE2 2.72Å; H24-E62 PolarHBondContact ND1-OE2 3.02Å; H24-L65 WeakPolarHBondContact CE1-CD1 3.22Å; H24-C71 PolarHBondContact NE2-O 3.19Å; H24-P73 VanDerWaalsContact CE1-CG 3.4Å; H24-P73 WeakPolarHBondContact CE1-CG 3.38Å |
| 25 | V | 97.7 | Very high | 94.8 | Very high | 78 Ų | 78 | 43.3 Ų | 43.3 | 47% | 0.473 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -69.5 | -45.2 | 178 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | I21 L22 T23 C27 V28 V29 | I21-V25 HydrophobicContact CG2-CG2 4.5Å; I21-V25 WeakPolarHBondContact O-CG2 3.46Å; I21-V25 PolarHBondContact O-N 2.96Å; L22-V25 PolarHBondContact O-N 3.05Å; L22-V25 VanDerWaalsContact O-N 3.17Å; T23-V25 VanDerWaalsContact C-N 3.32Å; T23-V25 PolarHBondContact O-N 2.92Å; V25-C27 PolarHBondContact O-N 3.15Å; V25-V28 PolarHBondContact O-N 2.67Å; V25-V29 HydrophobicContact CG1-CG2 3.96Å; V25-V29 WeakPolarHBondContact O-CB 3.26Å; V25-V29 VanDerWaalsContact O-CG2 3.3Å; V25-V29 WeakPolarHBondContact O-CG2 3.4Å; V25-V29 PolarHBondContact O-N 3.37Å |
| 26 | L | 97.7 | Very high | 95.4 | Very high | 25 Ų | 25 | 46.4 Ų | 46.4 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.3 | -42.6 | -177.4 | -72.6 | 176.5 | 0 | 0 | 0 | 112.3 | L22 T23 V28 F30 L201 | L22-L26 HydrophobicContact CD1-CD1 4.06Å; L22-L26 HydrophobicContact CD1-CD2 4.26Å; L22-L26 HydrophobicContact CD1-CG 3.89Å; L22-L26 HydrophobicContact CD2-CD1 4.35Å; L22-L26 HydrophobicContact CG-CD1 3.78Å; L22-L26 HydrophobicContact CG-CG 4.07Å; L22-L26 WeakPolarHBondContact O-CB 3.28Å; L22-L26 VanDerWaalsContact O-CG 3.24Å; L22-L26 WeakPolarHBondContact O-CG 2.98Å; L22-L26 PolarHBondContact O-N 3.18Å; T23-L26 PolarHBondContact O-N 2.91Å; L26-V28 VanDerWaalsContact C-N 3.35Å; L26-V28 PolarHBondContact O-N 3.34Å; L26-F30 WeakPolarHBondContact O-CB 3.5Å; L26-F30 PolarHBondContact O-N 2.87Å; L26-L201 HydrophobicContact CD1-CB 3.75Å; L26-L201 HydrophobicContact CD1-CD1 4.16Å |
| 27 | C | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 178.8 | 66.1 | 0 | 0 | 0 | 0 | 112 | T23 H24 V25 T31 S57 L58 T61 E62 | T23-C27 PolarHBondContact O-N 3.38Å; T23-C27 PolarHBondContact O-SG 2.96Å; T23-C27 VanDerWaalsContact O-SG 3.4Å; H24-C27 PolarHBondContact O-SG 3.24Å; V25-C27 PolarHBondContact O-N 3.15Å; C27-T31 VanDerWaalsContact O-CB 3.29Å; C27-T31 WeakPolarHBondContact O-CB 3.42Å; C27-T31 PolarHBondContact O-N 3.46Å; C27-T31 PolarHBondContact O-OG1 3.46Å; C27-S57 WeakPolarHBondContact CB-O 3.31Å; C27-L58 HydrophobicContact CB-CD1 4.48Å; C27-T61 HydrophobicContact CB-CG2 4.28Å; C27-E62 PolarHBondContact SG-OE1 3.26Å; C27-E62 VanDerWaalsContact SG-OE1 3.35Å |
| 28 | V | 98.3 | Very high | 96.6 | Very high | 70 Ų | 70 | 43.1 Ų | 43.1 | 42% | 0.424 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.7 | -51.1 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | H24 V25 L26 F30 T31 V32 L58 | H24-V28 WeakPolarHBondContact O-CG2 3.2Å; H24-V28 PolarHBondContact O-N 3.37Å; V25-V28 PolarHBondContact O-N 2.67Å; L26-V28 VanDerWaalsContact C-N 3.35Å; L26-V28 PolarHBondContact O-N 3.34Å; V28-F30 VanDerWaalsContact C-N 3.34Å; V28-F30 PolarHBondContact O-N 2.89Å; V28-T31 PolarHBondContact O-N 3.49Å; V28-V32 HydrophobicContact CG1-CG2 4.35Å; V28-V32 WeakPolarHBondContact O-CG2 3.47Å; V28-V32 PolarHBondContact O-N 3.38Å; V28-L58 HydrophobicContact CG2-CD1 3.8Å |
| 29 | V | 98.1 | Very high | 97 | Very high | 80 Ų | 80 | 47.2 Ų | 47.2 | 49% | 0.485 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.9 | -45.9 | -179.8 | 168.5 | 0 | 0 | 0 | 0 | 110.9 | V25 T31 V32 L33 | V25-V29 HydrophobicContact CG1-CG2 3.96Å; V25-V29 WeakPolarHBondContact O-CB 3.26Å; V25-V29 VanDerWaalsContact O-CG2 3.3Å; V25-V29 WeakPolarHBondContact O-CG2 3.4Å; V25-V29 PolarHBondContact O-N 3.37Å; V29-T31 PolarHBondContact O-N 3.04Å; V29-V32 PolarHBondContact O-N 3.31Å; V29-L33 WeakPolarHBondContact O-CB 3.35Å; V29-L33 PolarHBondContact O-N 2.93Å |
| 30 | F | 98.4 | Very high | 97.3 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 177.6 | -174.8 | -106.5 | 0 | 0 | 0 | 111.7 | L26 V28 V32 L33 I34 T53 S57 L174 I178 A195 C198 | L26-F30 WeakPolarHBondContact O-CB 3.5Å; L26-F30 PolarHBondContact O-N 2.87Å; V28-F30 VanDerWaalsContact C-N 3.34Å; V28-F30 PolarHBondContact O-N 2.89Å; F30-V32 PolarHBondContact O-N 3.49Å; F30-L33 PolarHBondContact O-N 2.72Å; F30-I34 HydrophobicContact CD1-CG1 4.38Å; F30-I34 HydrophobicContact CE1-CG1 4Å; F30-I34 HydrophobicContact CE2-CD1 4.17Å; F30-I34 HydrophobicContact CE2-CG1 4.15Å; F30-I34 HydrophobicContact CZ-CD1 4.05Å; F30-I34 HydrophobicContact CZ-CG1 3.86Å; F30-I34 WeakPolarHBondContact O-CG1 3.4Å; F30-I34 PolarHBondContact O-N 3.2Å; F30-T53 HydrophobicContact CD1-CG2 3.49Å; F30-T53 VanDerWaalsContact CD1-CG2 3.49Å; F30-T53 HydrophobicContact CE1-CG2 3.55Å; F30-S57 WeakPolarHBondContact CD1-OG 3.15Å; F30-L174 HydrophobicContact CE1-CD1 4.45Å; F30-L174 HydrophobicContact CE1-CD2 4.36Å; F30-I178 HydrophobicContact CE2-CD1 3.61Å; F30-I178 HydrophobicContact CE2-CG1 4.26Å; F30-I178 HydrophobicContact CZ-CD1 3.69Å; F30-I178 HydrophobicContact CZ-CG1 4.14Å; F30-A195 HydrophobicContact CE2-CB 4.21Å; F30-A195 WeakPolarHBondContact CE2-O 3.35Å; F30-C198 HydrophobicContact CB-CB 3.74Å; F30-C198 HydrophobicContact CD2-CB 3.76Å; F30-C198 HydrophobicContact CG-CB 3.92Å |
| 31 | T | 98.6 | Very high | 97.6 | Very high | 10 Ų | 10 | 49 Ų | 49 | 6% | 0.061 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63 | -43.5 | 177.4 | -57.9 | 0 | 0 | 0 | 0 | 112 | C27 V28 V29 I34 T35 T53 L54 | C27-T31 VanDerWaalsContact O-CB 3.29Å; C27-T31 WeakPolarHBondContact O-CB 3.42Å; C27-T31 PolarHBondContact O-N 3.46Å; C27-T31 PolarHBondContact O-OG1 3.46Å; V28-T31 PolarHBondContact O-N 3.49Å; V29-T31 PolarHBondContact O-N 3.04Å; T31-I34 PolarHBondContact O-N 3.02Å; T31-T35 WeakPolarHBondContact O-CB 3.35Å; T31-T35 PolarHBondContact O-N 2.93Å; T31-T35 PolarHBondContact O-OG1 3.41Å; T31-T53 HydrophobicContact CG2-CG2 4.42Å; T31-L54 HydrophobicContact CG2-CD1 3.96Å |
| 32 | V | 98.5 | Very high | 97.7 | Very high | 82 Ų | 82 | 49.1 Ų | 49.1 | 50% | 0.497 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 176.2 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | V28 V29 F30 I34 T35 V36 | V28-V32 HydrophobicContact CG1-CG2 4.35Å; V28-V32 WeakPolarHBondContact O-CG2 3.47Å; V28-V32 PolarHBondContact O-N 3.38Å; V29-V32 PolarHBondContact O-N 3.31Å; F30-V32 PolarHBondContact O-N 3.49Å; V32-I34 PolarHBondContact O-N 3.18Å; V32-T35 WeakPolarHBondContact O-CB 3.36Å; V32-T35 PolarHBondContact O-N 3.47Å; V32-V36 HydrophobicContact CG1-CG2 4.46Å; V32-V36 WeakPolarHBondContact O-CG2 3.42Å; V32-V36 PolarHBondContact O-N 3.31Å |
| 33 | L | 98.3 | Very high | 97.8 | Very high | 47 Ų | 47 | 47.9 Ų | 47.9 | 25% | 0.246 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.3 | -52.9 | 176.4 | 175.1 | 63.3 | 0 | 0 | 0 | 111.1 | V29 F30 T35 V36 L37 A195 | V29-L33 WeakPolarHBondContact O-CB 3.35Å; V29-L33 PolarHBondContact O-N 2.93Å; F30-L33 PolarHBondContact O-N 2.72Å; L33-T35 VanDerWaalsContact C-N 3.29Å; L33-T35 PolarHBondContact O-N 2.92Å; L33-V36 PolarHBondContact O-N 3.08Å; L33-L37 HydrophobicContact CD1-CD1 3.84Å; L33-L37 HydrophobicContact CD1-CG 4.17Å; L33-L37 HydrophobicContact CG-CD1 3.96Å; L33-L37 VanDerWaalsContact O-CG 3.28Å; L33-L37 WeakPolarHBondContact O-CG 3.46Å; L33-L37 PolarHBondContact O-N 3.17Å; L33-A195 HydrophobicContact CD2-CB 3.95Å |
| 34 | I | 98.5 | Very high | 97.9 | Very high | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.5 | -37 | 179.5 | -61 | -57.4 | 0 | 0 | 0 | 111.4 | F30 T31 V32 L37 A38 P49 T53 F183 | F30-I34 HydrophobicContact CD1-CG1 4.38Å; F30-I34 HydrophobicContact CE1-CG1 4Å; F30-I34 HydrophobicContact CE2-CD1 4.17Å; F30-I34 HydrophobicContact CE2-CG1 4.15Å; F30-I34 HydrophobicContact CZ-CD1 4.05Å; F30-I34 HydrophobicContact CZ-CG1 3.86Å; F30-I34 WeakPolarHBondContact O-CG1 3.4Å; F30-I34 PolarHBondContact O-N 3.2Å; T31-I34 PolarHBondContact O-N 3.02Å; V32-I34 PolarHBondContact O-N 3.18Å; I34-L37 PolarHBondContact O-N 3.48Å; I34-A38 WeakPolarHBondContact O-CB 3.39Å; I34-A38 PolarHBondContact O-N 3.35Å; I34-P49 HydrophobicContact CG2-CB 3.95Å; I34-P49 WeakPolarHBondContact CG2-O 3.42Å; I34-T53 HydrophobicContact CB-CG2 4.1Å; I34-T53 HydrophobicContact CG1-CG2 3.97Å; I34-T53 WeakPolarHBondContact CG2-OG1 3.5Å; I34-F183 HydrophobicContact CD1-CD2 4.16Å; I34-F183 HydrophobicContact CD1-CE2 3.52Å; I34-F183 HydrophobicContact CD1-CZ 4.46Å |
| 35 | T | 98.5 | Very high | 97.9 | Very high | 43 Ų | 43 | 52.3 Ų | 52.3 | 26% | 0.264 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.4 | -47.5 | 176.8 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | T31 V32 L33 K39 P40 F50 | T31-T35 WeakPolarHBondContact O-CB 3.35Å; T31-T35 PolarHBondContact O-N 2.93Å; T31-T35 PolarHBondContact O-OG1 3.41Å; V32-T35 WeakPolarHBondContact O-CB 3.36Å; V32-T35 PolarHBondContact O-N 3.47Å; L33-T35 VanDerWaalsContact C-N 3.29Å; L33-T35 PolarHBondContact O-N 2.92Å; T35-K39 PolarHBondContact O-N 2.93Å; T35-P40 HydrophobicContact CG2-CG 4.23Å; T35-P40 WeakPolarHBondContact O-CD 3.46Å; T35-F50 HydrophobicContact CG2-CD2 4Å; T35-F50 HydrophobicContact CG2-CE2 3.94Å; T35-F50 WeakPolarHBondContact OG1-CD2 3.28Å; T35-F50 WeakPolarHBondContact OG1-CE2 3.41Å |
| 36 | V | 98.3 | Very high | 97.9 | Very high | 97 Ų | 97 | 48.7 Ų | 48.7 | 59% | 0.588 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.9 | -41.3 | 179.1 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | V32 L33 K39 | V32-V36 HydrophobicContact CG1-CG2 4.46Å; V32-V36 WeakPolarHBondContact O-CG2 3.42Å; V32-V36 PolarHBondContact O-N 3.31Å; L33-V36 PolarHBondContact O-N 3.08Å; V36-K39 VanDerWaalsContact O-CG 3.28Å; V36-K39 WeakPolarHBondContact O-CG 3.33Å |
| 37 | L | 98 | Very high | 98 | Very high | 45 Ų | 45 | 52.3 Ų | 52.3 | 24% | 0.236 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.1 | -43.7 | 180 | -66.2 | 174.4 | 0 | 0 | 0 | 112.5 | L33 I34 F183 T186 V187 | L33-L37 HydrophobicContact CD1-CD1 3.84Å; L33-L37 HydrophobicContact CD1-CG 4.17Å; L33-L37 HydrophobicContact CG-CD1 3.96Å; L33-L37 VanDerWaalsContact O-CG 3.28Å; L33-L37 WeakPolarHBondContact O-CG 3.46Å; L33-L37 PolarHBondContact O-N 3.17Å; I34-L37 PolarHBondContact O-N 3.48Å; L37-F183 HydrophobicContact CD1-CE2 3.9Å; L37-F183 HydrophobicContact CD1-CZ 4.44Å; L37-T186 HydrophobicContact CD2-CG2 4.05Å; L37-V187 HydrophobicContact CD1-CG2 3.47Å; L37-V187 VanDerWaalsContact CD1-CG2 3.47Å; L37-V187 HydrophobicContact CD2-CG2 4.14Å; L37-V187 HydrophobicContact CG-CG2 4.45Å |
| 38 | A | 97.8 | Very high | 98 | Very high | 8 Ų | 8 | 53.3 Ų | 53.3 | 7% | 0.066 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.1 | -34.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I34 S46 P49 F50 W182 | I34-A38 WeakPolarHBondContact O-CB 3.39Å; I34-A38 PolarHBondContact O-N 3.35Å; A38-S46 WeakPolarHBondContact O-CB 3.44Å; A38-P49 HydrophobicContact CB-CG 3.76Å; A38-F50 HydrophobicContact CB-CB 4.48Å; A38-W182 HydrophobicContact CB-CH2 4.38Å; A38-W182 HydrophobicContact CB-CZ2 4.42Å |
| 39 | K | 98.1 | Very high | 98 | Very high | 140 Ų | 140 | 50.7 Ų | 50.7 | 61% | 0.609 | 29% | 0.288 | S | S | * | . | trans | 52.2 | 65.9 | -174.6 | -56.3 | 177.6 | -176.8 | 175.1 | 0 | 110.6 | T35 V36 G41 T42 S46 | T35-K39 PolarHBondContact O-N 2.93Å; V36-K39 VanDerWaalsContact O-CG 3.28Å; V36-K39 WeakPolarHBondContact O-CG 3.33Å; K39-G41 PolarHBondContact O-N 3.07Å; K39-T42 HydrophobicContact CB-CG2 3.73Å; K39-T42 WeakPolarHBondContact O-CB 3.25Å; K39-T42 VanDerWaalsContact O-CG2 3.31Å; K39-T42 WeakPolarHBondContact O-CG2 3.2Å; K39-T42 PolarHBondContact O-N 3.07Å; K39-T42 VanDerWaalsContact O-N 3.16Å; K39-T42 PolarHBondContact O-OG1 3.32Å; K39-S46 WeakPolarHBondContact O-CB 3.37Å; K39-S46 PolarHBondContact O-OG 2.87Å | ||
| 40 | P | 97.4 | Very high | 98.1 | Very high | 43 Ų | 43 | 48.7 Ų | 48.7 | 28% | 0.279 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 134.6 | -176.1 | 23.8 | -34 | 0 | 0 | 0 | 111 | T35 S46 W47 F50 | T35-P40 HydrophobicContact CG2-CG 4.23Å; T35-P40 WeakPolarHBondContact O-CD 3.46Å; P40-S46 WeakPolarHBondContact CA-OG 3.47Å; P40-W47 HydrophobicContact CB-CD2 4.33Å; P40-W47 HydrophobicContact CB-CE3 3.95Å; P40-W47 HydrophobicContact CB-CH2 4.25Å; P40-W47 HydrophobicContact CB-CZ3 3.91Å; P40-F50 HydrophobicContact CB-CB 4.05Å; P40-F50 HydrophobicContact CB-CD1 3.71Å; P40-F50 HydrophobicContact CB-CE1 4.33Å; P40-F50 HydrophobicContact CB-CG 3.85Å; P40-F50 HydrophobicContact CG-CB 4.36Å; P40-F50 HydrophobicContact CG-CD1 4.05Å; P40-F50 HydrophobicContact CG-CD2 4.15Å; P40-F50 HydrophobicContact CG-CE1 4.41Å; P40-F50 HydrophobicContact CG-CE2 4.5Å; P40-F50 HydrophobicContact CG-CG 3.91Å |
| 41 | G | 96.8 | Very high | 98.1 | Very high | 52 Ų | 52 | 49.5 Ų | 49.5 | 54% | 0.536 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.6 | -14.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | K39 S46 | K39-G41 PolarHBondContact O-N 3.07Å; G41-S46 PolarHBondContact N-OG 3.48Å; G41-S46 VanDerWaalsContact N-OG 3.13Å |
| 42 | T | 97.1 | Very high | 98.1 | Very high | 98 Ų | 98 | 50 Ų | 50 | 60% | 0.601 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -77.4 | -24.8 | 176.2 | 56.1 | 0 | 0 | 0 | 0 | 113.5 | K39 S46 | K39-T42 HydrophobicContact CB-CG2 3.73Å; K39-T42 WeakPolarHBondContact O-CB 3.25Å; K39-T42 VanDerWaalsContact O-CG2 3.31Å; K39-T42 WeakPolarHBondContact O-CG2 3.2Å; K39-T42 PolarHBondContact O-N 3.07Å; K39-T42 VanDerWaalsContact O-N 3.16Å; K39-T42 PolarHBondContact O-OG1 3.32Å; T42-S46 PolarHBondContact N-OG 2.89Å |
| 43 | S | 97.1 | Very high | 98.1 | Very high | 52 Ų | 52 | 46.4 Ų | 46.4 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | trans | -160.3 | 163.2 | 176 | 61.1 | 0 | 0 | 0 | 0 | 111.5 | F45 S46 | S43-F45 PolarHBondContact O-N 3.26Å; S43-S46 PolarHBondContact N-OG 3.5Å; S43-S46 WeakPolarHBondContact O-CB 3.47Å; S43-S46 PolarHBondContact O-N 3.44Å; S43-S46 VanDerWaalsContact O-N 3.11Å; S43-S46 PolarHBondContact O-OG 3.42Å; S43-S46 PolarHBondContact OG-N 2.81Å | ||
| 44 | L | 97.1 | Very high | 98.1 | Very high | 65 Ų | 65 | 45.6 Ų | 45.6 | 34% | 0.34 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.3 | -37 | 170.8 | -70.9 | 171.8 | 0 | 0 | 0 | 111.9 | S46 W47 S103 Y106 N107 L110 | L44-S46 PolarHBondContact O-N 2.94Å; L44-W47 PolarHBondContact O-N 2.92Å; L44-S103 WeakPolarHBondContact O-CB 3.2Å; L44-S103 PolarHBondContact O-OG 3.35Å; L44-Y106 HydrophobicContact CD1-CD1 3.64Å; L44-Y106 HydrophobicContact CD1-CE1 4.14Å; L44-N107 HydrophobicContact CB-CB 3.81Å; L44-L110 HydrophobicContact CD1-CD1 3.72Å |
| 45 | F | 98 | Very high | 98.2 | Very high | 56 Ų | 56 | 45.4 Ų | 45.4 | 25% | 0.246 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.1 | -44 | 173 | 178.8 | -92.6 | 0 | 0 | 0 | 112.1 | S43 W47 H48 P49 I104 N107 W182 | S43-F45 PolarHBondContact O-N 3.26Å; F45-W47 PolarHBondContact O-N 2.89Å; F45-W47 VanDerWaalsContact O-N 3.12Å; F45-H48 VanDerWaalsContact O-CB 3.31Å; F45-H48 WeakPolarHBondContact O-CB 3.47Å; F45-H48 PolarHBondContact O-N 2.87Å; F45-P49 HydrophobicContact CE1-CG 4.41Å; F45-P49 WeakPolarHBondContact O-CD 3.17Å; F45-I104 HydrophobicContact CD2-CD1 3.47Å; F45-I104 VanDerWaalsContact CD2-CD1 3.47Å; F45-I104 HydrophobicContact CE2-CD1 3.83Å; F45-N107 PolarHBondContact N-OD1 3.41Å; F45-W182 HydrophobicContact CE1-CB 4.29Å; F45-W182 AromaticContact CE1-CD1 3.54Å; F45-W182 AromaticContact CE1-CD2 3.63Å; F45-W182 HydrophobicContact CE1-CD2 3.63Å; F45-W182 AromaticContact CE1-CE2 3.73Å; F45-W182 HydrophobicContact CE1-CE3 4.35Å; F45-W182 AromaticContact CE1-CG 3.53Å; F45-W182 HydrophobicContact CE1-CG 3.53Å; F45-W182 AromaticContact CE1-NE1 3.65Å; F45-W182 HydrophobicContact CZ-CB 3.89Å; F45-W182 AromaticContact CZ-CD2 3.83Å; F45-W182 HydrophobicContact CZ-CD2 3.83Å; F45-W182 HydrophobicContact CZ-CE3 4.29Å; F45-W182 AromaticContact CZ-CG 3.61Å; F45-W182 HydrophobicContact CZ-CG 3.61Å |
| 46 | S | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.014 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.6 | -30.4 | -177.6 | 69.2 | 0 | 0 | 0 | 0 | 114.2 | A38 K39 P40 G41 T42 S43 L44 H48 P49 | A38-S46 WeakPolarHBondContact O-CB 3.44Å; K39-S46 WeakPolarHBondContact O-CB 3.37Å; K39-S46 PolarHBondContact O-OG 2.87Å; P40-S46 WeakPolarHBondContact CA-OG 3.47Å; G41-S46 PolarHBondContact N-OG 3.48Å; G41-S46 VanDerWaalsContact N-OG 3.13Å; T42-S46 PolarHBondContact N-OG 2.89Å; S43-S46 PolarHBondContact N-OG 3.5Å; S43-S46 WeakPolarHBondContact O-CB 3.47Å; S43-S46 PolarHBondContact O-N 3.44Å; S43-S46 VanDerWaalsContact O-N 3.11Å; S43-S46 PolarHBondContact O-OG 3.42Å; S43-S46 PolarHBondContact OG-N 2.81Å; L44-S46 PolarHBondContact O-N 2.94Å; S46-H48 VanDerWaalsContact C-N 3.28Å; S46-H48 PolarHBondContact O-N 2.89Å; S46-P49 WeakPolarHBondContact O-CD 3.47Å |
| 47 | W | 98.8 | Very high | 98.2 | Very high | 101 Ų | 101 | 39.3 Ų | 39.3 | 38% | 0.383 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.5 | -29.5 | 176.4 | -72.4 | 108.5 | 0 | 0 | 0 | 112.7 | P40 L44 F45 F50 L51 | P40-W47 HydrophobicContact CB-CD2 4.33Å; P40-W47 HydrophobicContact CB-CE3 3.95Å; P40-W47 HydrophobicContact CB-CH2 4.25Å; P40-W47 HydrophobicContact CB-CZ3 3.91Å; L44-W47 PolarHBondContact O-N 2.92Å; F45-W47 PolarHBondContact O-N 2.89Å; F45-W47 VanDerWaalsContact O-N 3.12Å; W47-F50 AromaticContact CE3-CD1 3.85Å; W47-F50 HydrophobicContact CE3-CD1 3.85Å; W47-F50 HydrophobicContact CE3-CE1 4.28Å; W47-F50 AromaticContact CZ3-CD1 3.94Å; W47-F50 HydrophobicContact CZ3-CD1 3.94Å; W47-F50 AromaticContact CZ3-CE1 3.92Å; W47-F50 HydrophobicContact CZ3-CE1 3.92Å; W47-L51 HydrophobicContact CB-CD1 4.16Å; W47-L51 HydrophobicContact CE3-CD1 4.26Å; W47-L51 HydrophobicContact CE3-CG 4.3Å; W47-L51 WeakPolarHBondContact O-CB 3.47Å; W47-L51 WeakPolarHBondContact O-CG 3.19Å; W47-L51 PolarHBondContact O-N 3.25Å |
| 48 | H | 98.6 | Very high | 98.2 | Very high | 22 Ų | 22 | 38.8 Ų | 38.8 | 10% | 0.102 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.5 | -61.3 | -177.2 | 173.7 | 71.1 | 0 | 0 | 0 | 113.4 | F45 S46 F50 L51 M52 G100 S103 I104 H120 | F45-H48 VanDerWaalsContact O-CB 3.31Å; F45-H48 WeakPolarHBondContact O-CB 3.47Å; F45-H48 PolarHBondContact O-N 2.87Å; S46-H48 VanDerWaalsContact C-N 3.28Å; S46-H48 PolarHBondContact O-N 2.89Å; H48-F50 VanDerWaalsContact C-N 3.25Å; H48-F50 PolarHBondContact O-N 2.87Å; H48-L51 PolarHBondContact O-N 2.7Å; H48-M52 VanDerWaalsContact O-CB 3.25Å; H48-M52 WeakPolarHBondContact O-CB 3.4Å; H48-M52 WeakPolarHBondContact O-CG 3.22Å; H48-M52 PolarHBondContact O-N 3.48Å; H48-G100 PolarHBondContact ND1-O 2.95Å; H48-S103 PolarHBondContact N-OG 2.86Å; H48-I104 HydrophobicContact CB-CB 3.86Å; H48-I104 WeakPolarHBondContact ND1-CG2 3.16Å; H48-H120 AromaticContact NE2-NE2 3.53Å |
| 49 | P | 98.5 | Very high | 98.2 | Very high | 14 Ų | 14 | 40.1 Ų | 40.1 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.6 | -33.5 | -179.3 | 26.6 | -33.1 | 0 | 0 | 0 | 111.6 | I34 A38 F45 S46 T53 W182 | I34-P49 HydrophobicContact CG2-CB 3.95Å; I34-P49 WeakPolarHBondContact CG2-O 3.42Å; A38-P49 HydrophobicContact CB-CG 3.76Å; F45-P49 HydrophobicContact CE1-CG 4.41Å; F45-P49 WeakPolarHBondContact O-CD 3.17Å; S46-P49 WeakPolarHBondContact O-CD 3.47Å; P49-T53 WeakPolarHBondContact O-CB 3.3Å; P49-T53 PolarHBondContact O-N 2.84Å; P49-T53 VanDerWaalsContact O-N 3.08Å; P49-T53 PolarHBondContact O-OG1 2.81Å; P49-W182 HydrophobicContact CB-CH2 3.93Å; P49-W182 HydrophobicContact CB-CZ3 3.79Å; P49-W182 HydrophobicContact CG-CH2 3.87Å; P49-W182 HydrophobicContact CG-CZ2 4.33Å; P49-W182 HydrophobicContact CG-CZ3 4.06Å |
| 50 | F | 98.8 | Very high | 98.3 | Very high | 38 Ų | 38 | 33.8 Ų | 33.8 | 17% | 0.167 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.2 | -58.3 | 174.7 | 170.7 | -116.2 | 0 | 0 | 0 | 112.2 | T35 A38 P40 W47 H48 M52 T53 L54 | T35-F50 HydrophobicContact CG2-CD2 4Å; T35-F50 HydrophobicContact CG2-CE2 3.94Å; T35-F50 WeakPolarHBondContact OG1-CD2 3.28Å; T35-F50 WeakPolarHBondContact OG1-CE2 3.41Å; A38-F50 HydrophobicContact CB-CB 4.48Å; P40-F50 HydrophobicContact CB-CB 4.05Å; P40-F50 HydrophobicContact CB-CD1 3.71Å; P40-F50 HydrophobicContact CB-CE1 4.33Å; P40-F50 HydrophobicContact CB-CG 3.85Å; P40-F50 HydrophobicContact CG-CB 4.36Å; P40-F50 HydrophobicContact CG-CD1 4.05Å; P40-F50 HydrophobicContact CG-CD2 4.15Å; P40-F50 HydrophobicContact CG-CE1 4.41Å; P40-F50 HydrophobicContact CG-CE2 4.5Å; P40-F50 HydrophobicContact CG-CG 3.91Å; W47-F50 AromaticContact CE3-CD1 3.85Å; W47-F50 HydrophobicContact CE3-CD1 3.85Å; W47-F50 HydrophobicContact CE3-CE1 4.28Å; W47-F50 AromaticContact CZ3-CD1 3.94Å; W47-F50 HydrophobicContact CZ3-CD1 3.94Å; W47-F50 AromaticContact CZ3-CE1 3.92Å; W47-F50 HydrophobicContact CZ3-CE1 3.92Å; H48-F50 VanDerWaalsContact C-N 3.25Å; H48-F50 PolarHBondContact O-N 2.87Å; F50-M52 PolarHBondContact O-N 3.18Å; F50-T53 PolarHBondContact O-N 3.4Å; F50-L54 HydrophobicContact CZ-CD2 4.25Å; F50-L54 WeakPolarHBondContact O-CB 3.38Å; F50-L54 PolarHBondContact O-N 3.49Å |
| 51 | L | 98.9 | Very high | 98.3 | Very high | 20 Ų | 20 | 31.8 Ų | 31.8 | 11% | 0.105 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68 | -37.6 | -175.8 | -68.2 | 170.9 | 0 | 0 | 0 | 112.3 | W47 H48 T53 L54 A55 C96 L99 | W47-L51 HydrophobicContact CB-CD1 4.16Å; W47-L51 HydrophobicContact CE3-CD1 4.26Å; W47-L51 HydrophobicContact CE3-CG 4.3Å; W47-L51 WeakPolarHBondContact O-CB 3.47Å; W47-L51 WeakPolarHBondContact O-CG 3.19Å; W47-L51 PolarHBondContact O-N 3.25Å; H48-L51 PolarHBondContact O-N 2.7Å; L51-T53 VanDerWaalsContact C-N 3.34Å; L51-L54 PolarHBondContact O-N 2.95Å; L51-A55 WeakPolarHBondContact O-CB 3.31Å; L51-A55 PolarHBondContact O-N 3.03Å; L51-C96 HydrophobicContact CB-CB 4.45Å; L51-C96 WeakPolarHBondContact CB-O 3.49Å; L51-C96 HydrophobicContact CD2-CB 4.43Å; L51-L99 HydrophobicContact CD1-CB 3.79Å |
| 52 | M | 98.8 | Very high | 98.4 | Very high | 20 Ų | 20 | 30.8 Ų | 30.8 | 10% | 0.099 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.1 | -40.7 | 175.6 | -71.4 | -66.5 | 173.7 | 0 | 0 | 111.8 | H48 F50 A55 F56 A97 G100 L101 L128 | H48-M52 VanDerWaalsContact O-CB 3.25Å; H48-M52 WeakPolarHBondContact O-CB 3.4Å; H48-M52 WeakPolarHBondContact O-CG 3.22Å; H48-M52 PolarHBondContact O-N 3.48Å; F50-M52 PolarHBondContact O-N 3.18Å; M52-A55 PolarHBondContact O-N 2.92Å; M52-F56 WeakPolarHBondContact O-CD2 3.38Å; M52-F56 PolarHBondContact O-N 3.39Å; M52-F56 HydrophobicContact SD-CD2 4.34Å; M52-F56 HydrophobicContact SD-CE2 3.9Å; M52-A97 WeakPolarHBondContact CE-O 3.4Å; M52-G100 VanDerWaalsContact CE-C 3.47Å; M52-L101 HydrophobicContact CE-CB 3.85Å; M52-L128 HydrophobicContact CE-CD1 4.37Å; M52-L128 HydrophobicContact CE-CD2 4.25Å; M52-L128 HydrophobicContact SD-CD1 4.4Å |
| 53 | T | 98.8 | Very high | 98.4 | Very high | 7 Ų | 7 | 26.1 Ų | 26.1 | 4% | 0.043 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.6 | -43.3 | 177 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | F30 T31 I34 P49 F50 L51 A55 S57 L58 | F30-T53 HydrophobicContact CD1-CG2 3.49Å; F30-T53 VanDerWaalsContact CD1-CG2 3.49Å; F30-T53 HydrophobicContact CE1-CG2 3.55Å; T31-T53 HydrophobicContact CG2-CG2 4.42Å; I34-T53 HydrophobicContact CB-CG2 4.1Å; I34-T53 HydrophobicContact CG1-CG2 3.97Å; I34-T53 WeakPolarHBondContact CG2-OG1 3.5Å; P49-T53 WeakPolarHBondContact O-CB 3.3Å; P49-T53 PolarHBondContact O-N 2.84Å; P49-T53 VanDerWaalsContact O-N 3.08Å; P49-T53 PolarHBondContact O-OG1 2.81Å; F50-T53 PolarHBondContact O-N 3.4Å; L51-T53 VanDerWaalsContact C-N 3.34Å; T53-A55 VanDerWaalsContact C-N 3.28Å; T53-A55 PolarHBondContact O-N 2.91Å; T53-S57 WeakPolarHBondContact O-CA 3.42Å; T53-S57 WeakPolarHBondContact O-CB 3.17Å; T53-S57 PolarHBondContact O-N 3.31Å; T53-L58 PolarHBondContact O-N 2.85Å |
| 54 | L | 98.8 | Very high | 98.3 | Very high | 30 Ų | 30 | 25 Ų | 25 | 16% | 0.157 | 12% | 0.119 | C | C | . | . | I | π-helix | trans | -59.1 | -40.9 | 175.9 | -169 | 67.6 | 0 | 0 | 0 | 111.7 | T31 F50 L51 L58 F59 | T31-L54 HydrophobicContact CG2-CD1 3.96Å; F50-L54 HydrophobicContact CZ-CD2 4.25Å; F50-L54 WeakPolarHBondContact O-CB 3.38Å; F50-L54 PolarHBondContact O-N 3.49Å; L51-L54 PolarHBondContact O-N 2.95Å; L54-L58 HydrophobicContact CD1-CB 4.36Å; L54-L58 HydrophobicContact CD1-CD2 3.63Å; L54-F59 HydrophobicContact CD1-CE2 4.21Å; L54-F59 HydrophobicContact CD1-CZ 4.07Å; L54-F59 HydrophobicContact CD2-CE2 3.69Å; L54-F59 HydrophobicContact CD2-CZ 3.99Å; L54-F59 HydrophobicContact CG-CD2 4.03Å; L54-F59 HydrophobicContact CG-CE2 3.5Å; L54-F59 HydrophobicContact CG-CZ 3.86Å; L54-F59 WeakPolarHBondContact O-CD2 3.29Å; L54-F59 PolarHBondContact O-N 3.38Å |
| 55 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | I | π-helix | trans | -63.9 | -63.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L51 M52 T53 M60 C93 C96 A97 | L51-A55 WeakPolarHBondContact O-CB 3.31Å; L51-A55 PolarHBondContact O-N 3.03Å; M52-A55 PolarHBondContact O-N 2.92Å; T53-A55 VanDerWaalsContact C-N 3.28Å; T53-A55 PolarHBondContact O-N 2.91Å; A55-M60 WeakPolarHBondContact O-CB 3.35Å; A55-M60 PolarHBondContact O-N 3.27Å; A55-C93 WeakPolarHBondContact CB-O 3.37Å; A55-C93 PolarHBondContact O-SG 2.96Å; A55-C96 HydrophobicContact CB-CB 3.81Å; A55-A97 HydrophobicContact CB-CB 4.14Å |
| 56 | F | 98.6 | Very high | 98.1 | Very high | 8 Ų | 8 | 19.5 Ų | 19.5 | 4% | 0.035 | 9% | 0.093 | C | C | . | . | I | π-helix | trans | -88 | -36.1 | -166.4 | -69 | -73.6 | 0 | 0 | 0 | 113.4 | M52 M60 A97 T127 L128 V131 L174 | M52-F56 WeakPolarHBondContact O-CD2 3.38Å; M52-F56 PolarHBondContact O-N 3.39Å; M52-F56 HydrophobicContact SD-CD2 4.34Å; M52-F56 HydrophobicContact SD-CE2 3.9Å; F56-M60 HydrophobicContact CD1-CE 3.58Å; F56-M60 HydrophobicContact CD1-SD 4.08Å; F56-M60 HydrophobicContact CE1-CE 3.64Å; F56-A97 HydrophobicContact CE2-CB 3.94Å; F56-A97 HydrophobicContact CZ-CB 4.09Å; F56-T127 HydrophobicContact CD1-CG2 4.44Å; F56-T127 HydrophobicContact CE1-CG2 3.6Å; F56-T127 HydrophobicContact CZ-CG2 3.82Å; F56-L128 HydrophobicContact CE2-CD1 3.88Å; F56-L128 HydrophobicContact CZ-CD1 3.73Å; F56-V131 HydrophobicContact CE1-CG2 3.84Å; F56-V131 HydrophobicContact CZ-CG2 4.23Å; F56-L174 HydrophobicContact CB-CD1 4Å; F56-L174 HydrophobicContact CB-CD2 4.49Å; F56-L174 HydrophobicContact CB-CG 4.29Å |
| 57 | S | 98.3 | Very high | 97.8 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 3% | 0.028 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -79.9 | -50.6 | 178.6 | -168.8 | 0 | 0 | 0 | 0 | 111 | C27 F30 T53 T61 | C27-S57 WeakPolarHBondContact CB-O 3.31Å; F30-S57 WeakPolarHBondContact CD1-OG 3.15Å; T53-S57 WeakPolarHBondContact O-CA 3.42Å; T53-S57 WeakPolarHBondContact O-CB 3.17Å; T53-S57 PolarHBondContact O-N 3.31Å; S57-T61 WeakPolarHBondContact O-CB 3.15Å; S57-T61 PolarHBondContact O-OG1 3.04Å |
| 58 | L | 98.6 | Very high | 97.3 | Very high | 35 Ų | 35 | 18.5 Ų | 18.5 | 18% | 0.183 | 9% | 0.092 | C | C | . | . | I | π-helix | trans | -87.1 | -70.9 | -175.1 | -171.7 | 66.5 | 0 | 0 | 0 | 112.6 | C27 V28 T53 L54 M60 T61 E62 | C27-L58 HydrophobicContact CB-CD1 4.48Å; V28-L58 HydrophobicContact CG2-CD1 3.8Å; T53-L58 PolarHBondContact O-N 2.85Å; L54-L58 HydrophobicContact CD1-CB 4.36Å; L54-L58 HydrophobicContact CD1-CD2 3.63Å; L58-M60 PolarHBondContact O-N 3.42Å; L58-T61 PolarHBondContact O-N 3.36Å; L58-E62 HydrophobicContact CD1-CG 4.11Å; L58-E62 WeakPolarHBondContact O-CB 3.49Å; L58-E62 WeakPolarHBondContact O-CG 3.37Å; L58-E62 PolarHBondContact O-N 2.69Å |
| 59 | F | 98.8 | Very high | 96.4 | Very high | 36 Ų | 36 | 20.7 Ų | 20.7 | 16% | 0.158 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -62.7 | -44.9 | -168.6 | -67.3 | -37.3 | 0 | 0 | 0 | 113.3 | L54 A63 L89 L92 C93 | L54-F59 HydrophobicContact CD1-CE2 4.21Å; L54-F59 HydrophobicContact CD1-CZ 4.07Å; L54-F59 HydrophobicContact CD2-CE2 3.69Å; L54-F59 HydrophobicContact CD2-CZ 3.99Å; L54-F59 HydrophobicContact CG-CD2 4.03Å; L54-F59 HydrophobicContact CG-CE2 3.5Å; L54-F59 HydrophobicContact CG-CZ 3.86Å; L54-F59 WeakPolarHBondContact O-CD2 3.29Å; L54-F59 PolarHBondContact O-N 3.38Å; F59-A63 WeakPolarHBondContact O-CB 3.42Å; F59-A63 PolarHBondContact O-N 3.44Å; F59-L89 HydrophobicContact CD1-CD2 3.99Å; F59-L92 HydrophobicContact CD2-CB 3.75Å; F59-L92 HydrophobicContact CE1-CD1 4.29Å; F59-L92 HydrophobicContact CE2-CB 3.78Å; F59-L92 HydrophobicContact CG-CB 4.19Å; F59-L92 HydrophobicContact CZ-CB 4.27Å; F59-L92 HydrophobicContact CZ-CD1 4.25Å; F59-C93 HydrophobicContact CB-CB 4Å |
| 60 | M | 98.5 | Very high | 95.6 | Very high | 7 Ų | 7 | 22.2 Ų | 22.2 | 3% | 0.034 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.1 | -43.5 | 178.5 | -169.9 | 177.6 | -72.4 | 0 | 0 | 111.9 | A55 F56 L58 A63 V64 V131 T166 Y167 | A55-M60 WeakPolarHBondContact O-CB 3.35Å; A55-M60 PolarHBondContact O-N 3.27Å; F56-M60 HydrophobicContact CD1-CE 3.58Å; F56-M60 HydrophobicContact CD1-SD 4.08Å; F56-M60 HydrophobicContact CE1-CE 3.64Å; L58-M60 PolarHBondContact O-N 3.42Å; M60-A63 PolarHBondContact O-N 2.95Å; M60-V64 WeakPolarHBondContact O-CG2 3.46Å; M60-V64 PolarHBondContact O-N 3.43Å; M60-V64 VanDerWaalsContact O-N 3.13Å; M60-V131 HydrophobicContact CE-CG2 3.96Å; M60-T166 HydrophobicContact CE-CG2 4.2Å; M60-Y167 HydrophobicContact CG-CD2 3.9Å; M60-Y167 HydrophobicContact CG-CE2 4.38Å; M60-Y167 HydrophobicContact SD-CD2 3.88Å |
| 61 | T | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.2 | -51 | 178.5 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | T23 C27 S57 L58 A63 V64 L65 Y167 I206 | T23-T61 HydrophobicContact CG2-CG2 3.53Å; C27-T61 HydrophobicContact CB-CG2 4.28Å; S57-T61 WeakPolarHBondContact O-CB 3.15Å; S57-T61 PolarHBondContact O-OG1 3.04Å; L58-T61 PolarHBondContact O-N 3.36Å; T61-A63 VanDerWaalsContact C-N 3.29Å; T61-A63 PolarHBondContact O-N 3.4Å; T61-V64 PolarHBondContact O-N 2.92Å; T61-V64 VanDerWaalsContact O-N 3.14Å; T61-L65 HydrophobicContact CG2-CD1 3.82Å; T61-L65 HydrophobicContact CG2-CG 4.32Å; T61-L65 WeakPolarHBondContact O-CG 3.21Å; T61-L65 PolarHBondContact O-N 3.43Å; T61-Y167 WeakPolarHBondContact OG1-CE2 3.4Å; T61-Y167 PolarHBondContact OG1-OH 2.99Å; T61-I206 HydrophobicContact CG2-CD1 4.44Å |
| 62 | E | 98.2 | Very high | 94.5 | Very high | 32 Ų | 32 | 20.7 Ų | 20.7 | 15% | 0.15 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.5 | -44.7 | 177.7 | -72 | -56.3 | 136.3 | 0 | 0 | 111.1 | H24 C27 L58 V64 L65 L66 L89 | H24-E62 IonicContact CE1-OE1 3.12Å; H24-E62 IonicContact CE1-OE2 3.61Å; H24-E62 PolarHBondContact CE1-OE2 3.46Å; H24-E62 IonicContact CG-OE1 3.72Å; H24-E62 IonicContact ND1-OE1 2.98Å; H24-E62 PolarHBondContact ND1-OE1 2.96Å; H24-E62 IonicContact ND1-OE2 2.72Å; H24-E62 PolarHBondContact ND1-OE2 3.02Å; C27-E62 PolarHBondContact SG-OE1 3.26Å; C27-E62 VanDerWaalsContact SG-OE1 3.35Å; L58-E62 HydrophobicContact CD1-CG 4.11Å; L58-E62 WeakPolarHBondContact O-CB 3.49Å; L58-E62 WeakPolarHBondContact O-CG 3.37Å; L58-E62 PolarHBondContact O-N 2.69Å; E62-V64 VanDerWaalsContact C-N 3.28Å; E62-V64 PolarHBondContact O-N 3.26Å; E62-L65 PolarHBondContact O-N 3.07Å; E62-L65 VanDerWaalsContact O-N 3.16Å; E62-L66 WeakPolarHBondContact O-CG 3.39Å; E62-L66 PolarHBondContact O-N 2.96Å; E62-L89 HydrophobicContact CB-CD1 4.09Å |
| 63 | A | 97.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.7 | -39.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F59 M60 T61 H86 L89 Q90 | F59-A63 WeakPolarHBondContact O-CB 3.42Å; F59-A63 PolarHBondContact O-N 3.44Å; M60-A63 PolarHBondContact O-N 2.95Å; T61-A63 VanDerWaalsContact C-N 3.29Å; T61-A63 PolarHBondContact O-N 3.4Å; A63-H86 PolarHBondContact O-ND1 3.3Å; A63-L89 HydrophobicContact CB-CB 3.72Å; A63-L89 HydrophobicContact CB-CD1 4.08Å; A63-Q90 HydrophobicContact CB-CG 4.21Å |
| 64 | V | 96.2 | Very high | 93.5 | Very high | 27 Ų | 27 | 25.2 Ų | 25.2 | 16% | 0.164 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -74.5 | -40.8 | 177.6 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | M60 T61 E62 L66 F67 I206 Q209 V210 | M60-V64 WeakPolarHBondContact O-CG2 3.46Å; M60-V64 PolarHBondContact O-N 3.43Å; M60-V64 VanDerWaalsContact O-N 3.13Å; T61-V64 PolarHBondContact O-N 2.92Å; T61-V64 VanDerWaalsContact O-N 3.14Å; E62-V64 VanDerWaalsContact C-N 3.28Å; E62-V64 PolarHBondContact O-N 3.26Å; V64-L66 PolarHBondContact O-N 3.48Å; V64-F67 PolarHBondContact O-N 3.23Å; V64-I206 HydrophobicContact CB-CD1 4.15Å; V64-I206 HydrophobicContact CG1-CD1 3.81Å; V64-I206 HydrophobicContact CG1-CG2 4.03Å; V64-Q209 PolarHBondContact O-NE2 3.36Å; V64-V210 HydrophobicContact CG1-CG2 4.3Å |
| 65 | L | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.5 | -21.2 | 179.9 | -68.8 | 177.5 | 0 | 0 | 0 | 113.5 | T23 H24 T61 E62 F67 S68 S72 I206 Q209 | T23-L65 HydrophobicContact CG2-CD1 3.83Å; H24-L65 WeakPolarHBondContact CE1-CD1 3.22Å; T61-L65 HydrophobicContact CG2-CD1 3.82Å; T61-L65 HydrophobicContact CG2-CG 4.32Å; T61-L65 WeakPolarHBondContact O-CG 3.21Å; T61-L65 PolarHBondContact O-N 3.43Å; E62-L65 PolarHBondContact O-N 3.07Å; E62-L65 VanDerWaalsContact O-N 3.16Å; L65-F67 PolarHBondContact O-N 2.84Å; L65-S68 WeakPolarHBondContact O-CB 3.15Å; L65-S68 PolarHBondContact O-N 3.33Å; L65-S72 WeakPolarHBondContact O-CA 3.35Å; L65-I206 HydrophobicContact CD2-CD1 3.58Å; L65-I206 HydrophobicContact CG-CD1 3.89Å; L65-Q209 VanDerWaalsContact CD2-OE1 3.31Å |
| 66 | L | 94.9 | Very high | 92.5 | Very high | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -32 | 171.8 | -62.3 | -177.9 | 0 | 0 | 0 | 113.3 | E62 V64 S72 I74 K82 V85 H86 L89 | E62-L66 WeakPolarHBondContact O-CG 3.39Å; E62-L66 PolarHBondContact O-N 2.96Å; V64-L66 PolarHBondContact O-N 3.48Å; L66-S72 VanDerWaalsContact O-CB 3.26Å; L66-S72 WeakPolarHBondContact O-CB 3.37Å; L66-S72 PolarHBondContact O-OG 2.67Å; L66-I74 HydrophobicContact CD1-CD1 4.48Å; L66-I74 HydrophobicContact CD2-CD1 3.81Å; L66-I74 HydrophobicContact CD2-CG1 3.81Å; L66-K82 WeakPolarHBondContact O-CD 3.42Å; L66-V85 HydrophobicContact CD1-CB 3.75Å; L66-V85 HydrophobicContact CD1-CG1 3.62Å; L66-V85 HydrophobicContact CD2-CG1 4.32Å; L66-H86 HydrophobicContact CD1-CB 4.06Å; L66-L89 HydrophobicContact CD1-CD1 4.06Å; L66-L89 HydrophobicContact CG-CD1 4.48Å |
| 67 | F | 91.6 | Very high | 92.1 | Very high | 77 Ų | 77 | 44.5 Ų | 44.5 | 34% | 0.338 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 2.1 | -179.9 | -64.1 | -71.9 | 0 | 0 | 0 | 113.9 | V64 L65 H79 K82 H86 | V64-F67 PolarHBondContact O-N 3.23Å; L65-F67 PolarHBondContact O-N 2.84Å; F67-H79 AromaticContact CD1-ND1 3.93Å; F67-H79 AromaticContact CE1-ND1 4Å; F67-K82 HydrophobicContact CD1-CB 4.2Å; F67-K82 HydrophobicContact CE1-CB 3.68Å; F67-K82 HydrophobicContact CZ-CB 4.19Å; F67-H86 HydrophobicContact CE2-CB 3.67Å; F67-H86 AromaticContact CE2-CG 3.64Å; F67-H86 AromaticContact CE2-ND1 3.62Å; F67-H86 HydrophobicContact CZ-CB 4.06Å |
| 68 | S | 88.3 | Confident | 91.9 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 4% | 0.035 | 24% | 0.239 | C | C | . | . | trans | -64.1 | 129.2 | 174.3 | -174.4 | 0 | 0 | 0 | 0 | 110.9 | L65 H70 C71 S72 Q209 | L65-S68 WeakPolarHBondContact O-CB 3.15Å; L65-S68 PolarHBondContact O-N 3.33Å; S68-H70 PolarHBondContact O-N 2.96Å; S68-H70 PolarHBondContact OG-N 3.29Å; S68-C71 WeakPolarHBondContact CB-SG 3.49Å; S68-C71 PolarHBondContact OG-N 3.45Å; S68-C71 PolarHBondContact OG-SG 3.38Å; S68-S72 WeakPolarHBondContact O-CB 3.48Å; S68-S72 PolarHBondContact O-N 3Å; S68-Q209 PolarHBondContact OG-OE1 3.06Å | ||
| 69 | P | 80.3 | Confident | 91.4 | Very high | 68 Ų | 68 | 52.2 Ų | 52.2 | 44% | 0.442 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -26 | 176 | 23.6 | -29.1 | 0 | 0 | 0 | 112.6 | R75 | P69-R75 PolarHBondContact O-NE 3.49Š|
| 70 | H | 80.9 | Confident | 91 | Very high | 46 Ų | 46 | 57.8 Ų | 57.8 | 21% | 0.213 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -38.3 | -170.7 | -61.3 | -68.4 | 0 | 0 | 0 | 113.4 | V17 S68 | V17-H70 HydrophobicContact CG2-CB 3.84Å; S68-H70 PolarHBondContact O-N 2.96Å; S68-H70 PolarHBondContact OG-N 3.29Å |
| 71 | C | 85.3 | Confident | 90.8 | Very high | 15 Ų | 15 | 59.9 Ų | 59.9 | 10% | 0.101 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | 13 | -170.8 | 68.3 | 0 | 0 | 0 | 0 | 114.9 | G20 H24 S68 P73 | G20-C71 WeakPolarHBondContact CA-SG 3.44Å; H24-C71 PolarHBondContact NE2-O 3.19Å; S68-C71 WeakPolarHBondContact CB-SG 3.49Å; S68-C71 PolarHBondContact OG-N 3.45Å; S68-C71 PolarHBondContact OG-SG 3.38Å; C71-P73 WeakPolarHBondContact O-CD 3.45Å |
| 72 | S | 90.3 | Very high | 90.6 | Very high | 10 Ų | 10 | 60.8 Ų | 60.8 | 7% | 0.07 | 30% | 0.302 | C | S | . | . | trans | -59.4 | 125.7 | 177.2 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | L65 L66 S68 I74 R75 | L65-S72 WeakPolarHBondContact O-CA 3.35Å; L66-S72 VanDerWaalsContact O-CB 3.26Å; L66-S72 WeakPolarHBondContact O-CB 3.37Å; L66-S72 PolarHBondContact O-OG 2.67Å; S68-S72 WeakPolarHBondContact O-CB 3.48Å; S68-S72 PolarHBondContact O-N 3Å; S72-I74 PolarHBondContact O-N 2.95Å; S72-I74 VanDerWaalsContact O-N 3.16Å; S72-I74 PolarHBondContact OG-N 3.06Å; S72-R75 WeakPolarHBondContact O-CB 3.43Å; S72-R75 PolarHBondContact O-N 3.44Å; S72-R75 VanDerWaalsContact O-N 3.12Å; S72-R75 PolarHBondContact OG-N 3.27Å | ||
| 73 | P | 85.6 | Confident | 90.4 | Very high | 80 Ų | 80 | 60.7 Ų | 60.7 | 52% | 0.519 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -28.4 | 177.1 | -25.5 | 34.1 | 0 | 0 | 0 | 113.1 | H24 C71 | H24-P73 VanDerWaalsContact CE1-CG 3.4Å; H24-P73 WeakPolarHBondContact CE1-CG 3.38Å; C71-P73 WeakPolarHBondContact O-CD 3.45Å |
| 74 | I | 90 | Very high | 90.3 | Very high | 42 Ų | 42 | 68.3 Ų | 68.3 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 39.1 | 179.4 | 57.1 | 169.5 | 0 | 0 | 0 | 111.5 | L66 S72 K76 L77 K82 V85 | L66-I74 HydrophobicContact CD1-CD1 4.48Å; L66-I74 HydrophobicContact CD2-CD1 3.81Å; L66-I74 HydrophobicContact CD2-CG1 3.81Å; S72-I74 PolarHBondContact O-N 2.95Å; S72-I74 VanDerWaalsContact O-N 3.16Å; S72-I74 PolarHBondContact OG-N 3.06Å; I74-K76 PolarHBondContact O-N 3.37Å; I74-K76 VanDerWaalsContact O-N 3.1Å; I74-L77 HydrophobicContact CB-CB 4.34Å; I74-L77 HydrophobicContact CB-CD1 3.71Å; I74-L77 HydrophobicContact CB-CG 3.95Å; I74-L77 HydrophobicContact CD1-CD1 4.21Å; I74-L77 HydrophobicContact CG2-CD1 3.9Å; I74-L77 WeakPolarHBondContact O-CB 3.4Å; I74-L77 PolarHBondContact O-N 2.9Å; I74-K82 HydrophobicContact CD1-CB 4.43Å; I74-K82 HydrophobicContact CD1-CG 3.76Å; I74-K82 HydrophobicContact CG1-CG 4.09Å; I74-K82 WeakPolarHBondContact O-CE 3.34Å; I74-V85 HydrophobicContact CD1-CB 4.23Å; I74-V85 HydrophobicContact CD1-CG1 4.47Å; I74-V85 HydrophobicContact CD1-CG2 4.09Å |
| 75 | R | 88.3 | Confident | 90.3 | Very high | 150 Ų | 150 | 69.3 Ų | 69.3 | 57% | 0.566 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | -42 | -173.6 | -178.4 | 173.4 | 171.8 | 170.5 | -2.1 | 113.8 | P69 S72 L77 K82 | P69-R75 PolarHBondContact O-NE 3.49Å; S72-R75 WeakPolarHBondContact O-CB 3.43Å; S72-R75 PolarHBondContact O-N 3.44Å; S72-R75 VanDerWaalsContact O-N 3.12Å; S72-R75 PolarHBondContact OG-N 3.27Å; R75-L77 VanDerWaalsContact C-N 3.29Å; R75-L77 PolarHBondContact O-N 2.87Å; R75-K82 PolarHBondContact O-NZ 3.47Å |
| 76 | K | 89.3 | Confident | 90.4 | Very high | 211 Ų | 211 | 70.7 Ų | 70.7 | 92% | 0.917 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -15.2 | -177.5 | -62.6 | -177.1 | -179.2 | 179.5 | 0 | 114.2 | I74 | I74-K76 PolarHBondContact O-N 3.37Å; I74-K76 VanDerWaalsContact O-N 3.1Å |
| 77 | L | 91 | Very high | 90.4 | Very high | 82 Ų | 82 | 74.9 Ų | 74.9 | 43% | 0.429 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -80.7 | 153.6 | -178.5 | -57.5 | -171.5 | 0 | 0 | 0 | 112 | I74 R75 T81 K82 | I74-L77 HydrophobicContact CB-CB 4.34Å; I74-L77 HydrophobicContact CB-CD1 3.71Å; I74-L77 HydrophobicContact CB-CG 3.95Å; I74-L77 HydrophobicContact CD1-CD1 4.21Å; I74-L77 HydrophobicContact CG2-CD1 3.9Å; I74-L77 WeakPolarHBondContact O-CB 3.4Å; I74-L77 PolarHBondContact O-N 2.9Å; R75-L77 VanDerWaalsContact C-N 3.29Å; R75-L77 PolarHBondContact O-N 2.87Å; L77-T81 HydrophobicContact CB-CG2 4.28Å; L77-T81 HydrophobicContact CD1-CG2 3.85Å; L77-K82 VanDerWaalsContact O-CE 3.27Å; L77-K82 WeakPolarHBondContact O-CE 3.35Å |
| 78 | S | 92.4 | Very high | 90.7 | Very high | 63 Ų | 63 | 75.9 Ų | 75.9 | 44% | 0.441 | 37% | 0.374 | S | S | . | . | trans | -60.3 | 153.9 | 179.6 | 80.9 | 0 | 0 | 0 | 0 | 112.6 | K80 T81 K82 | S78-K80 PolarHBondContact O-N 3.19Å; S78-K80 PolarHBondContact OG-N 3.16Å; S78-T81 PolarHBondContact O-N 2.94Å; S78-T81 VanDerWaalsContact O-N 3.1Å; S78-T81 PolarHBondContact OG-N 3.12Å; S78-T81 VanDerWaalsContact OG-N 3.1Å; S78-T81 PolarHBondContact OG-OG1 3.17Å; S78-K82 PolarHBondContact O-N 3.06Å | ||
| 79 | H | 89.4 | Confident | 91.2 | Very high | 138 Ų | 138 | 77 Ų | 77 | 64% | 0.639 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -57.3 | -32.9 | 173.3 | -99.3 | -75.4 | 0 | 0 | 0 | 113.2 | F67 G83 | F67-H79 AromaticContact CD1-ND1 3.93Å; F67-H79 AromaticContact CE1-ND1 4Å; H79-G83 PolarHBondContact O-N 3.39Å |
| 80 | K | 90.3 | Very high | 92.1 | Very high | 154 Ų | 154 | 75.5 Ų | 75.5 | 67% | 0.67 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65.8 | -43.5 | 176.3 | -174.4 | 178 | -178.8 | 178.3 | 0 | 111 | S78 G83 R84 | S78-K80 PolarHBondContact O-N 3.19Å; S78-K80 PolarHBondContact OG-N 3.16Å; K80-G83 PolarHBondContact O-N 3.22Å; K80-R84 PolarHBondContact O-N 2.81Å; K80-R84 VanDerWaalsContact O-N 3.12Å |
| 81 | T | 93.1 | Very high | 92.9 | Very high | 51 Ų | 51 | 75.9 Ų | 75.9 | 31% | 0.313 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 175.9 | -52.3 | 0 | 0 | 0 | 0 | 111.2 | L77 S78 G83 R84 V85 | L77-T81 HydrophobicContact CB-CG2 4.28Å; L77-T81 HydrophobicContact CD1-CG2 3.85Å; S78-T81 PolarHBondContact O-N 2.94Å; S78-T81 VanDerWaalsContact O-N 3.1Å; S78-T81 PolarHBondContact OG-N 3.12Å; S78-T81 VanDerWaalsContact OG-N 3.1Å; S78-T81 PolarHBondContact OG-OG1 3.17Å; T81-G83 VanDerWaalsContact C-N 3.26Å; T81-G83 PolarHBondContact O-N 3.15Å; T81-R84 WeakPolarHBondContact O-CB 3.15Å; T81-R84 PolarHBondContact O-N 3.01Å; T81-V85 WeakPolarHBondContact O-CG2 3.44Å; T81-V85 PolarHBondContact O-N 3.45Å |
| 82 | K | 94.7 | Very high | 93.5 | Very high | 18 Ų | 18 | 78.7 Ų | 78.7 | 8% | 0.078 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -55.8 | -41.4 | 173.9 | -69.7 | 174 | 177.9 | 176.7 | 0 | 111.8 | L66 F67 I74 R75 L77 S78 R84 V85 H86 | L66-K82 WeakPolarHBondContact O-CD 3.42Å; F67-K82 HydrophobicContact CD1-CB 4.2Å; F67-K82 HydrophobicContact CE1-CB 3.68Å; F67-K82 HydrophobicContact CZ-CB 4.19Å; I74-K82 HydrophobicContact CD1-CB 4.43Å; I74-K82 HydrophobicContact CD1-CG 3.76Å; I74-K82 HydrophobicContact CG1-CG 4.09Å; I74-K82 WeakPolarHBondContact O-CE 3.34Å; R75-K82 PolarHBondContact O-NZ 3.47Å; L77-K82 VanDerWaalsContact O-CE 3.27Å; L77-K82 WeakPolarHBondContact O-CE 3.35Å; S78-K82 PolarHBondContact O-N 3.06Å; K82-R84 PolarHBondContact O-N 3.38Å; K82-V85 PolarHBondContact O-N 3.3Å; K82-H86 VanDerWaalsContact O-CB 3.26Å; K82-H86 WeakPolarHBondContact O-CB 3.49Å; K82-H86 PolarHBondContact O-N 3.48Å |
| 83 | G | 94.4 | Very high | 93.9 | Very high | 30 Ų | 30 | 78.2 Ų | 78.2 | 31% | 0.309 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.3 | -41 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | H79 K80 T81 W87 | H79-G83 PolarHBondContact O-N 3.39Å; K80-G83 PolarHBondContact O-N 3.22Å; T81-G83 VanDerWaalsContact C-N 3.26Å; T81-G83 PolarHBondContact O-N 3.15Å; G83-W87 WeakPolarHBondContact O-CB 3.23Å; G83-W87 PolarHBondContact O-N 2.98Å |
| 84 | R | 94.4 | Very high | 94.6 | Very high | 160 Ų | 160 | 75.7 Ų | 75.7 | 60% | 0.604 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -66.3 | -46.8 | 176 | -69.5 | 177.2 | 174.7 | -179.6 | -4.8 | 112 | K80 T81 K82 H86 W87 I88 | K80-R84 PolarHBondContact O-N 2.81Å; K80-R84 VanDerWaalsContact O-N 3.12Å; T81-R84 WeakPolarHBondContact O-CB 3.15Å; T81-R84 PolarHBondContact O-N 3.01Å; K82-R84 PolarHBondContact O-N 3.38Å; R84-H86 VanDerWaalsContact C-N 3.34Å; R84-W87 PolarHBondContact O-N 3.46Å; R84-I88 WeakPolarHBondContact O-CG1 3.35Å; R84-I88 PolarHBondContact O-N 3.29Å |
| 85 | V | 97.1 | Very high | 95 | Very high | 48 Ų | 48 | 76.9 Ų | 76.9 | 29% | 0.291 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 178.3 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | L66 I74 T81 K82 W87 I88 L89 | L66-V85 HydrophobicContact CD1-CB 3.75Å; L66-V85 HydrophobicContact CD1-CG1 3.62Å; L66-V85 HydrophobicContact CD2-CG1 4.32Å; I74-V85 HydrophobicContact CD1-CB 4.23Å; I74-V85 HydrophobicContact CD1-CG1 4.47Å; I74-V85 HydrophobicContact CD1-CG2 4.09Å; T81-V85 WeakPolarHBondContact O-CG2 3.44Å; T81-V85 PolarHBondContact O-N 3.45Å; K82-V85 PolarHBondContact O-N 3.3Å; V85-W87 VanDerWaalsContact C-N 3.34Å; V85-W87 PolarHBondContact O-N 3.46Å; V85-I88 PolarHBondContact O-N 3.17Å; V85-L89 HydrophobicContact CG1-CD1 4.18Å; V85-L89 HydrophobicContact CG1-CG 4.4Å; V85-L89 WeakPolarHBondContact O-CG 3.24Å; V85-L89 PolarHBondContact O-N 3.5Å |
| 86 | H | 97.1 | Very high | 95.5 | Very high | 29 Ų | 29 | 70.4 Ų | 70.4 | 13% | 0.134 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -56.1 | -49.1 | 173.8 | 177.5 | 87.1 | 0 | 0 | 0 | 111.4 | A63 L66 F67 K82 R84 I88 L89 Q90 | A63-H86 PolarHBondContact O-ND1 3.3Å; L66-H86 HydrophobicContact CD1-CB 4.06Å; F67-H86 HydrophobicContact CE2-CB 3.67Å; F67-H86 AromaticContact CE2-CG 3.64Å; F67-H86 AromaticContact CE2-ND1 3.62Å; F67-H86 HydrophobicContact CZ-CB 4.06Å; K82-H86 VanDerWaalsContact O-CB 3.26Å; K82-H86 WeakPolarHBondContact O-CB 3.49Å; K82-H86 PolarHBondContact O-N 3.48Å; R84-H86 VanDerWaalsContact C-N 3.34Å; H86-I88 PolarHBondContact O-N 3.3Å; H86-L89 PolarHBondContact O-N 3.41Å; H86-Q90 PolarHBondContact CE1-NE2 3.35Å; H86-Q90 VanDerWaalsContact O-CG 3.28Å; H86-Q90 WeakPolarHBondContact O-CG 3.39Å; H86-Q90 PolarHBondContact O-N 3.12Å |
| 87 | W | 95.5 | Very high | 95.9 | Very high | 95 Ų | 95 | 60.4 Ų | 60.4 | 36% | 0.36 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59 | -45.8 | 177.7 | -179.7 | -93.9 | 0 | 0 | 0 | 112.3 | G83 R84 V85 L89 Q90 C91 A138 L139 L142 | G83-W87 WeakPolarHBondContact O-CB 3.23Å; G83-W87 PolarHBondContact O-N 2.98Å; R84-W87 PolarHBondContact O-N 3.46Å; V85-W87 VanDerWaalsContact C-N 3.34Å; V85-W87 PolarHBondContact O-N 3.46Å; W87-L89 PolarHBondContact O-N 3.1Å; W87-Q90 PolarHBondContact O-N 2.98Å; W87-C91 PolarHBondContact NE1-SG 2.94Å; W87-C91 PolarHBondContact O-N 3.4Å; W87-C91 PolarHBondContact O-SG 3.22Å; W87-C91 VanDerWaalsContact O-SG 3.37Å; W87-A138 HydrophobicContact CZ3-CB 4.27Å; W87-L139 HydrophobicContact CH2-CD2 4.05Å; W87-L142 HydrophobicContact CD2-CD1 4.46Å; W87-L142 HydrophobicContact CE3-CD1 4.26Å; W87-L142 HydrophobicContact CH2-CD1 4.46Å; W87-L142 HydrophobicContact CZ3-CD1 4.26Å |
| 88 | I | 97.9 | Very high | 96.3 | Very high | 98 Ų | 98 | 60.8 Ų | 60.8 | 50% | 0.503 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.3 | -48.5 | 177.6 | -68.2 | 164.3 | 0 | 0 | 0 | 111 | R84 V85 H86 Q90 C91 L92 | R84-I88 WeakPolarHBondContact O-CG1 3.35Å; R84-I88 PolarHBondContact O-N 3.29Å; V85-I88 PolarHBondContact O-N 3.17Å; H86-I88 PolarHBondContact O-N 3.3Å; I88-Q90 VanDerWaalsContact C-N 3.32Å; I88-Q90 PolarHBondContact O-N 3.05Å; I88-C91 WeakPolarHBondContact O-CB 3.44Å; I88-C91 PolarHBondContact O-N 3.27Å; I88-L92 HydrophobicContact CG2-CD1 4.3Å; I88-L92 WeakPolarHBondContact O-CG 3.36Å; I88-L92 PolarHBondContact O-N 2.97Å |
| 89 | L | 98.4 | Very high | 96.6 | Very high | 28 Ų | 28 | 62.8 Ų | 62.8 | 15% | 0.147 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.9 | -36.9 | 179.1 | -69.4 | 176.4 | 0 | 0 | 0 | 112 | F59 E62 A63 L66 V85 H86 W87 L92 C93 | F59-L89 HydrophobicContact CD1-CD2 3.99Å; E62-L89 HydrophobicContact CB-CD1 4.09Å; A63-L89 HydrophobicContact CB-CB 3.72Å; A63-L89 HydrophobicContact CB-CD1 4.08Å; L66-L89 HydrophobicContact CD1-CD1 4.06Å; L66-L89 HydrophobicContact CG-CD1 4.48Å; V85-L89 HydrophobicContact CG1-CD1 4.18Å; V85-L89 HydrophobicContact CG1-CG 4.4Å; V85-L89 WeakPolarHBondContact O-CG 3.24Å; V85-L89 PolarHBondContact O-N 3.5Å; H86-L89 PolarHBondContact O-N 3.41Å; W87-L89 PolarHBondContact O-N 3.1Å; L89-L92 HydrophobicContact CD2-CD1 4.41Å; L89-L92 PolarHBondContact O-N 3.43Å; L89-C93 WeakPolarHBondContact O-CB 3.47Å; L89-C93 PolarHBondContact O-N 3.46Å |
| 90 | Q | 98.2 | Very high | 97.1 | Very high | 37 Ų | 37 | 56.2 Ų | 56.2 | 17% | 0.173 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70 | -34.5 | 175.2 | -66.5 | -65.9 | 13.8 | 0 | 0 | 112.7 | A63 H86 W87 I88 C93 A94 | A63-Q90 HydrophobicContact CB-CG 4.21Å; H86-Q90 PolarHBondContact CE1-NE2 3.35Å; H86-Q90 VanDerWaalsContact O-CG 3.28Å; H86-Q90 WeakPolarHBondContact O-CG 3.39Å; H86-Q90 PolarHBondContact O-N 3.12Å; W87-Q90 PolarHBondContact O-N 2.98Å; I88-Q90 VanDerWaalsContact C-N 3.32Å; I88-Q90 PolarHBondContact O-N 3.05Å; Q90-C93 WeakPolarHBondContact O-CB 3.38Å; Q90-C93 PolarHBondContact O-N 3.39Å; Q90-A94 WeakPolarHBondContact O-CB 3.41Å; Q90-A94 PolarHBondContact O-N 2.72Å |
| 91 | C | 98.3 | Very high | 97.5 | Very high | 54 Ų | 54 | 50.9 Ų | 50.9 | 37% | 0.365 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 170.2 | -70.5 | 0 | 0 | 0 | 0 | 111.2 | W87 I88 C93 A94 S95 | W87-C91 PolarHBondContact NE1-SG 2.94Å; W87-C91 PolarHBondContact O-N 3.4Å; W87-C91 PolarHBondContact O-SG 3.22Å; W87-C91 VanDerWaalsContact O-SG 3.37Å; I88-C91 WeakPolarHBondContact O-CB 3.44Å; I88-C91 PolarHBondContact O-N 3.27Å; C91-C93 VanDerWaalsContact C-N 3.32Å; C91-C93 PolarHBondContact O-N 3.24Å; C91-A94 PolarHBondContact O-N 3.05Å; C91-S95 WeakPolarHBondContact O-CB 3.41Å; C91-S95 PolarHBondContact O-N 2.97Å; C91-S95 PolarHBondContact O-OG 3.1Å; C91-S95 VanDerWaalsContact O-OG 3.07Å |
| 92 | L | 98.7 | Very high | 97.7 | Very high | 75 Ų | 75 | 50.9 Ų | 50.9 | 39% | 0.393 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 175.3 | -68.9 | 173.2 | 0 | 0 | 0 | 111.8 | F59 I88 L89 S95 C96 | F59-L92 HydrophobicContact CD2-CB 3.75Å; F59-L92 HydrophobicContact CE1-CD1 4.29Å; F59-L92 HydrophobicContact CE2-CB 3.78Å; F59-L92 HydrophobicContact CG-CB 4.19Å; F59-L92 HydrophobicContact CZ-CB 4.27Å; F59-L92 HydrophobicContact CZ-CD1 4.25Å; I88-L92 HydrophobicContact CG2-CD1 4.3Å; I88-L92 WeakPolarHBondContact O-CG 3.36Å; I88-L92 PolarHBondContact O-N 2.97Å; L89-L92 HydrophobicContact CD2-CD1 4.41Å; L89-L92 PolarHBondContact O-N 3.43Å; L92-S95 PolarHBondContact O-N 3.37Å; L92-C96 WeakPolarHBondContact O-CB 3.38Å; L92-C96 PolarHBondContact O-N 3.36Å; L92-C96 PolarHBondContact O-SG 3.31Å |
| 93 | C | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.2 | -52.5 | 172.9 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | A55 F59 L89 Q90 C91 S95 C96 A97 | A55-C93 WeakPolarHBondContact CB-O 3.37Å; A55-C93 PolarHBondContact O-SG 2.96Å; F59-C93 HydrophobicContact CB-CB 4Å; L89-C93 WeakPolarHBondContact O-CB 3.47Å; L89-C93 PolarHBondContact O-N 3.46Å; Q90-C93 WeakPolarHBondContact O-CB 3.38Å; Q90-C93 PolarHBondContact O-N 3.39Å; C91-C93 VanDerWaalsContact C-N 3.32Å; C91-C93 PolarHBondContact O-N 3.24Å; C93-S95 PolarHBondContact O-N 3.46Å; C93-C96 PolarHBondContact O-N 2.97Å; C93-A97 WeakPolarHBondContact O-CB 3.48Å; C93-A97 PolarHBondContact O-N 3Å |
| 94 | A | 98.6 | Very high | 98.1 | Very high | 27 Ų | 27 | 50.3 Ų | 50.3 | 22% | 0.223 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q90 C91 C96 A97 T98 V131 | Q90-A94 WeakPolarHBondContact O-CB 3.41Å; Q90-A94 PolarHBondContact O-N 2.72Å; C91-A94 PolarHBondContact O-N 3.05Å; A94-C96 PolarHBondContact O-N 3.03Å; A94-A97 PolarHBondContact O-N 3.46Å; A94-T98 WeakPolarHBondContact O-CB 3.12Å; A94-T98 PolarHBondContact O-N 3.27Å; A94-T98 PolarHBondContact O-OG1 3.4Å; A94-T98 VanDerWaalsContact O-OG1 3.07Å; A94-V131 HydrophobicContact CB-CG1 4.32Å |
| 95 | S | 98.8 | Very high | 98.3 | Very high | 67 Ų | 67 | 47.1 Ų | 47.1 | 47% | 0.469 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.6 | -46.9 | 176.7 | -62.4 | 0 | 0 | 0 | 0 | 112.1 | C91 L92 C93 T98 L99 | C91-S95 WeakPolarHBondContact O-CB 3.41Å; C91-S95 PolarHBondContact O-N 2.97Å; C91-S95 PolarHBondContact O-OG 3.1Å; C91-S95 VanDerWaalsContact O-OG 3.07Å; L92-S95 PolarHBondContact O-N 3.37Å; C93-S95 PolarHBondContact O-N 3.46Å; S95-T98 PolarHBondContact O-N 3.23Å; S95-L99 WeakPolarHBondContact O-CB 3.15Å; S95-L99 VanDerWaalsContact O-CG 3.26Å; S95-L99 WeakPolarHBondContact O-CG 3.1Å; S95-L99 PolarHBondContact O-N 3.14Å |
| 96 | C | 98.8 | Very high | 98.4 | Very high | 14 Ų | 14 | 50.8 Ų | 50.8 | 10% | 0.095 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 177.6 | -68.9 | 0 | 0 | 0 | 0 | 111.7 | L51 A55 L92 C93 A94 T98 L99 G100 | L51-C96 HydrophobicContact CB-CB 4.45Å; L51-C96 WeakPolarHBondContact CB-O 3.49Å; L51-C96 HydrophobicContact CD2-CB 4.43Å; A55-C96 HydrophobicContact CB-CB 3.81Å; L92-C96 WeakPolarHBondContact O-CB 3.38Å; L92-C96 PolarHBondContact O-N 3.36Å; L92-C96 PolarHBondContact O-SG 3.31Å; C93-C96 PolarHBondContact O-N 2.97Å; A94-C96 PolarHBondContact O-N 3.03Å; C96-T98 PolarHBondContact O-N 3.28Å; C96-L99 PolarHBondContact O-N 2.84Å; C96-G100 PolarHBondContact O-N 3.06Å |
| 97 | A | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | M52 A55 F56 C93 A94 G100 L101 L128 | M52-A97 WeakPolarHBondContact CE-O 3.4Å; A55-A97 HydrophobicContact CB-CB 4.14Å; F56-A97 HydrophobicContact CE2-CB 3.94Å; F56-A97 HydrophobicContact CZ-CB 4.09Å; C93-A97 WeakPolarHBondContact O-CB 3.48Å; C93-A97 PolarHBondContact O-N 3Å; A94-A97 PolarHBondContact O-N 3.46Å; A97-G100 PolarHBondContact O-N 3.16Å; A97-L101 WeakPolarHBondContact O-CB 3.32Å; A97-L101 PolarHBondContact O-N 3.1Å; A97-L128 HydrophobicContact CB-CD1 4.19Å; A97-L128 HydrophobicContact CB-CD2 4.39Å; A97-L128 HydrophobicContact CB-CG 4.1Å |
| 98 | T | 98.8 | Very high | 98.5 | Very high | 90 Ų | 90 | 48.6 Ų | 48.6 | 55% | 0.552 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62 | -47.8 | 176.9 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | A94 S95 C96 L101 A102 | A94-T98 WeakPolarHBondContact O-CB 3.12Å; A94-T98 PolarHBondContact O-N 3.27Å; A94-T98 PolarHBondContact O-OG1 3.4Å; A94-T98 VanDerWaalsContact O-OG1 3.07Å; S95-T98 PolarHBondContact O-N 3.23Å; C96-T98 PolarHBondContact O-N 3.28Å; T98-L101 PolarHBondContact O-N 2.62Å; T98-A102 WeakPolarHBondContact O-CB 3.34Å; T98-A102 PolarHBondContact O-N 3.13Å |
| 99 | L | 98.8 | Very high | 98.5 | Very high | 104 Ų | 104 | 49.5 Ų | 49.5 | 55% | 0.545 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 179.4 | -69.7 | 170.2 | 0 | 0 | 0 | 112 | L51 S95 C96 L101 A102 S103 | L51-L99 HydrophobicContact CD1-CB 3.79Å; S95-L99 WeakPolarHBondContact O-CB 3.15Å; S95-L99 VanDerWaalsContact O-CG 3.26Å; S95-L99 WeakPolarHBondContact O-CG 3.1Å; S95-L99 PolarHBondContact O-N 3.14Å; C96-L99 PolarHBondContact O-N 2.84Å; L99-L101 VanDerWaalsContact C-N 3.32Å; L99-L101 PolarHBondContact O-N 3.43Å; L99-A102 PolarHBondContact O-N 3.35Å; L99-S103 WeakPolarHBondContact O-CB 3.33Å; L99-S103 PolarHBondContact O-N 2.94Å |
| 100 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.5 | -32.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | H48 M52 C96 A97 S103 I104 | H48-G100 PolarHBondContact ND1-O 2.95Å; M52-G100 VanDerWaalsContact CE-C 3.47Å; C96-G100 PolarHBondContact O-N 3.06Å; A97-G100 PolarHBondContact O-N 3.16Å; G100-S103 PolarHBondContact O-OG 3.44Å; G100-S103 VanDerWaalsContact O-OG 3.06Å; G100-I104 WeakPolarHBondContact O-CG2 3.5Å; G100-I104 PolarHBondContact O-N 3.02Å |
| 101 | L | 98.7 | Very high | 98.5 | Very high | 42 Ų | 42 | 55.8 Ų | 55.8 | 22% | 0.22 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.6 | -44.9 | 173.6 | 175.9 | 67.6 | 0 | 0 | 0 | 109.8 | M52 A97 T98 L99 S103 I104 F105 F116 L125 L128 | M52-L101 HydrophobicContact CE-CB 3.85Å; A97-L101 WeakPolarHBondContact O-CB 3.32Å; A97-L101 PolarHBondContact O-N 3.1Å; T98-L101 PolarHBondContact O-N 2.62Å; L99-L101 VanDerWaalsContact C-N 3.32Å; L99-L101 PolarHBondContact O-N 3.43Å; L101-S103 VanDerWaalsContact C-N 3.28Å; L101-S103 PolarHBondContact O-N 2.97Å; L101-I104 HydrophobicContact CD1-CG2 4.27Å; L101-I104 VanDerWaalsContact O-CG2 3.22Å; L101-I104 WeakPolarHBondContact O-CG2 3.26Å; L101-I104 PolarHBondContact O-N 3.48Å; L101-F105 WeakPolarHBondContact O-CB 3.46Å; L101-F105 PolarHBondContact O-N 2.75Å; L101-F116 HydrophobicContact CD1-CE1 3.96Å; L101-F116 HydrophobicContact CD1-CZ 4.33Å; L101-L125 HydrophobicContact CD2-CD1 4.15Å; L101-L128 HydrophobicContact CB-CD2 3.58Å; L101-L128 HydrophobicContact CD2-CD2 3.61Å; L101-L128 HydrophobicContact CG-CD2 4.09Å |
| 102 | A | 98.7 | Very high | 98.5 | Very high | 51 Ų | 51 | 56.7 Ų | 56.7 | 42% | 0.421 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.1 | -42 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | T98 L99 F105 Y106 | T98-A102 WeakPolarHBondContact O-CB 3.34Å; T98-A102 PolarHBondContact O-N 3.13Å; L99-A102 PolarHBondContact O-N 3.35Å; A102-F105 PolarHBondContact O-N 3.16Å; A102-Y106 WeakPolarHBondContact O-CB 3.04Å; A102-Y106 PolarHBondContact O-N 2.96Å |
| 103 | S | 98.6 | Very high | 98.4 | Very high | 15 Ų | 15 | 58.8 Ų | 58.8 | 11% | 0.105 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65 | -46.5 | 180 | 77.1 | 0 | 0 | 0 | 0 | 112.6 | L44 H48 L99 G100 L101 N107 | L44-S103 WeakPolarHBondContact O-CB 3.2Å; L44-S103 PolarHBondContact O-OG 3.35Å; H48-S103 PolarHBondContact N-OG 2.86Å; L99-S103 WeakPolarHBondContact O-CB 3.33Å; L99-S103 PolarHBondContact O-N 2.94Å; G100-S103 PolarHBondContact O-OG 3.44Å; G100-S103 VanDerWaalsContact O-OG 3.06Å; L101-S103 VanDerWaalsContact C-N 3.28Å; L101-S103 PolarHBondContact O-N 2.97Å; S103-N107 WeakPolarHBondContact O-CB 3.28Å; S103-N107 PolarHBondContact O-N 3.28Å |
| 104 | I | 98.4 | Very high | 98.3 | Very high | 21 Ų | 21 | 63.1 Ų | 63.1 | 11% | 0.108 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.4 | -36.4 | 177.1 | -171.2 | 59.5 | 0 | 0 | 0 | 111.9 | F45 H48 G100 L101 K108 | F45-I104 HydrophobicContact CD2-CD1 3.47Å; F45-I104 VanDerWaalsContact CD2-CD1 3.47Å; F45-I104 HydrophobicContact CE2-CD1 3.83Å; H48-I104 HydrophobicContact CB-CB 3.86Å; H48-I104 WeakPolarHBondContact ND1-CG2 3.16Å; G100-I104 WeakPolarHBondContact O-CG2 3.5Å; G100-I104 PolarHBondContact O-N 3.02Å; L101-I104 HydrophobicContact CD1-CG2 4.27Å; L101-I104 VanDerWaalsContact O-CG2 3.22Å; L101-I104 WeakPolarHBondContact O-CG2 3.26Å; L101-I104 PolarHBondContact O-N 3.48Å; I104-K108 HydrophobicContact CD1-CG 4.38Å; I104-K108 HydrophobicContact CG1-CD 4.45Å; I104-K108 WeakPolarHBondContact O-CB 3.47Å; I104-K108 WeakPolarHBondContact O-CG 3.44Å; I104-K108 PolarHBondContact O-N 3.12Å |
| 105 | F | 98.6 | Very high | 98.1 | Very high | 94 Ų | 94 | 64.7 Ų | 64.7 | 41% | 0.412 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.7 | -54.1 | 177.2 | -173.1 | -81 | 0 | 0 | 0 | 109.7 | L101 A102 N107 K108 H109 H115 F116 | L101-F105 WeakPolarHBondContact O-CB 3.46Å; L101-F105 PolarHBondContact O-N 2.75Å; A102-F105 PolarHBondContact O-N 3.16Å; F105-N107 PolarHBondContact O-N 3.46Å; F105-K108 PolarHBondContact O-N 3.47Å; F105-H109 PolarHBondContact O-N 3.32Å; F105-H115 AromaticContact CD1-CE1 3.8Å; F105-H115 AromaticContact CD2-CE1 3.59Å; F105-H115 AromaticContact CD2-ND1 3.19Å; F105-H115 WeakPolarHBondContact CD2-ND1 3.49Å; F105-H115 AromaticContact CE1-CE1 3.83Å; F105-H115 AromaticContact CE2-CE1 3.63Å; F105-H115 AromaticContact CE2-ND1 3.31Å; F105-H115 VanDerWaalsContact CE2-ND1 3.31Å; F105-H115 WeakPolarHBondContact CE2-ND1 3.39Å; F105-H115 AromaticContact CG-CE1 3.67Å; F105-H115 AromaticContact CG-ND1 3.69Å; F105-H115 AromaticContact CZ-CE1 3.75Å; F105-H115 AromaticContact CZ-ND1 3.9Å; F105-H115 PolarHBondContact O-CE1 2.95Å; F105-F116 HydrophobicContact CD2-CE2 4.33Å; F105-F116 HydrophobicContact CD2-CZ 4.11Å; F105-F116 HydrophobicContact CE2-CE2 4.21Å; F105-F116 HydrophobicContact CE2-CZ 4.4Å |
| 106 | Y | 98.4 | Very high | 98 | Very high | 125 Ų | 125 | 64.4 Ų | 64.4 | 49% | 0.49 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.7 | -39 | -179.4 | -167.9 | -120.3 | 0 | 0 | 0 | 112.2 | L44 A102 K108 H109 L110 | L44-Y106 HydrophobicContact CD1-CD1 3.64Å; L44-Y106 HydrophobicContact CD1-CE1 4.14Å; A102-Y106 WeakPolarHBondContact O-CB 3.04Å; A102-Y106 PolarHBondContact O-N 2.96Å; Y106-K108 VanDerWaalsContact C-N 3.32Å; Y106-K108 PolarHBondContact O-N 3.01Å; Y106-H109 WeakPolarHBondContact O-CB 3.47Å; Y106-H109 PolarHBondContact O-N 2.84Å; Y106-L110 HydrophobicContact CD1-CD1 3.98Å; Y106-L110 HydrophobicContact CD1-CG 4.39Å; Y106-L110 HydrophobicContact CE1-CD1 3.6Å; Y106-L110 HydrophobicContact CE1-CD2 4.38Å; Y106-L110 HydrophobicContact CE1-CG 4.07Å; Y106-L110 HydrophobicContact CE2-CD2 4.29Å; Y106-L110 HydrophobicContact CE2-CG 4.35Å; Y106-L110 WeakPolarHBondContact O-CG 3.4Å; Y106-L110 PolarHBondContact O-N 3.23Å |
| 107 | N | 98.4 | Very high | 97.8 | Very high | 27 Ų | 27 | 67.3 Ų | 67.3 | 14% | 0.144 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -56.7 | -44.9 | 172.7 | -177.1 | 86.9 | 0 | 0 | 0 | 112 | L44 F45 S103 F105 N111 | L44-N107 HydrophobicContact CB-CB 3.81Å; F45-N107 PolarHBondContact N-OD1 3.41Å; S103-N107 WeakPolarHBondContact O-CB 3.28Å; S103-N107 PolarHBondContact O-N 3.28Å; F105-N107 PolarHBondContact O-N 3.46Å; N107-N111 WeakPolarHBondContact O-CB 3.36Å; N107-N111 PolarHBondContact O-N 2.88Å; N107-N111 PolarHBondContact O-ND2 2.91Å |
| 108 | K | 97.8 | Very high | 97.7 | Very high | 50 Ų | 50 | 70 Ų | 70 | 22% | 0.217 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 178 | -78.7 | -174 | 164.8 | -151.2 | 0 | 112.2 | I104 F105 Y106 N111 G112 K113 P114 | I104-K108 HydrophobicContact CD1-CG 4.38Å; I104-K108 HydrophobicContact CG1-CD 4.45Å; I104-K108 WeakPolarHBondContact O-CB 3.47Å; I104-K108 WeakPolarHBondContact O-CG 3.44Å; I104-K108 PolarHBondContact O-N 3.12Å; F105-K108 PolarHBondContact O-N 3.47Å; Y106-K108 VanDerWaalsContact C-N 3.32Å; Y106-K108 PolarHBondContact O-N 3.01Å; K108-N111 CarbonylContact O-C 3.48Å; K108-N111 PolarHBondContact O-N 3.34Å; K108-G112 PolarHBondContact O-N 2.92Å; K108-K113 HydrophobicContact CB-CB 4.19Å; K108-K113 HydrophobicContact CG-CB 4.1Å; K108-K113 PolarHBondContact O-N 3.33Å; K108-P114 WeakPolarHBondContact CD-O 3.44Å; K108-P114 PolarHBondContact NZ-O 3.47Å |
| 109 | H | 98.2 | Very high | 97.6 | Very high | 118 Ų | 118 | 75 Ų | 75 | 55% | 0.546 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -57.5 | -51.1 | 176 | 178.4 | 69.3 | 0 | 0 | 0 | 111.5 | F105 Y106 N111 G112 | F105-H109 PolarHBondContact O-N 3.32Å; Y106-H109 WeakPolarHBondContact O-CB 3.47Å; Y106-H109 PolarHBondContact O-N 2.84Å; H109-N111 PolarHBondContact O-N 3.05Å; H109-G112 PolarHBondContact O-N 3.48Å; H109-G112 VanDerWaalsContact O-N 3.14Å |
| 110 | L | 98.1 | Very high | 97.6 | Very high | 99 Ų | 99 | 72.1 Ų | 72.1 | 52% | 0.518 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.7 | -27 | 178.4 | -69.2 | 179.9 | 0 | 0 | 0 | 113.8 | L44 Y106 | L44-L110 HydrophobicContact CD1-CD1 3.72Å; Y106-L110 HydrophobicContact CD1-CD1 3.98Å; Y106-L110 HydrophobicContact CD1-CG 4.39Å; Y106-L110 HydrophobicContact CE1-CD1 3.6Å; Y106-L110 HydrophobicContact CE1-CD2 4.38Å; Y106-L110 HydrophobicContact CE1-CG 4.07Å; Y106-L110 HydrophobicContact CE2-CD2 4.29Å; Y106-L110 HydrophobicContact CE2-CG 4.35Å; Y106-L110 WeakPolarHBondContact O-CG 3.4Å; Y106-L110 PolarHBondContact O-N 3.23Å |
| 111 | N | 97.7 | Very high | 97.6 | Very high | 97 Ų | 97 | 72.9 Ų | 72.9 | 52% | 0.519 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 9.1 | -178.9 | -72.8 | -92.8 | 0 | 0 | 0 | 113.2 | N107 K108 H109 K113 | N107-N111 WeakPolarHBondContact O-CB 3.36Å; N107-N111 PolarHBondContact O-N 2.88Å; N107-N111 PolarHBondContact O-ND2 2.91Å; K108-N111 CarbonylContact O-C 3.48Å; K108-N111 PolarHBondContact O-N 3.34Å; H109-N111 PolarHBondContact O-N 3.05Å; N111-K113 HydrophobicContact CB-CD 4.42Å; N111-K113 HydrophobicContact CB-CG 4.08Å; N111-K113 PolarHBondContact O-N 3.31Å; N111-K113 VanDerWaalsContact O-N 3.15Å |
| 112 | G | 97.4 | Very high | 97.6 | Very high | 74 Ų | 74 | 75.3 Ų | 75.3 | 76% | 0.763 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 26.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | K108 H109 | K108-G112 PolarHBondContact O-N 2.92Å; H109-G112 PolarHBondContact O-N 3.48Å; H109-G112 VanDerWaalsContact O-N 3.14Å |
| 113 | K | 96.8 | Very high | 97.5 | Very high | 119 Ų | 119 | 74.6 Ų | 74.6 | 52% | 0.517 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -91.8 | 143.5 | -176.7 | -66 | -168 | -177.5 | -174.3 | 0 | 111.4 | K108 N111 | K108-K113 HydrophobicContact CB-CB 4.19Å; K108-K113 HydrophobicContact CG-CB 4.1Å; K108-K113 PolarHBondContact O-N 3.33Å; N111-K113 HydrophobicContact CB-CD 4.42Å; N111-K113 HydrophobicContact CB-CG 4.08Å; N111-K113 PolarHBondContact O-N 3.31Å; N111-K113 VanDerWaalsContact O-N 3.15Å |
| 114 | P | 96.3 | Very high | 97.5 | Very high | 91 Ų | 91 | 74.4 Ų | 74.4 | 59% | 0.591 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 140.3 | 178.4 | 26.9 | -35 | 0 | 0 | 0 | 112 | K108 A117 | K108-P114 WeakPolarHBondContact CD-O 3.44Å; K108-P114 PolarHBondContact NZ-O 3.47Å; P114-A117 HydrophobicContact CB-CB 4.15Å; P114-A117 HydrophobicContact CG-CB 4.23Å |
| 115 | H | 95.9 | Very high | 97.5 | Very high | 59 Ų | 59 | 76.2 Ų | 76.2 | 27% | 0.273 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -86.8 | 146.9 | 177.3 | -64.8 | -107.7 | 0 | 0 | 0 | 110.4 | F105 A117 | F105-H115 AromaticContact CD1-CE1 3.8Å; F105-H115 AromaticContact CD2-CE1 3.59Å; F105-H115 AromaticContact CD2-ND1 3.19Å; F105-H115 WeakPolarHBondContact CD2-ND1 3.49Å; F105-H115 AromaticContact CE1-CE1 3.83Å; F105-H115 AromaticContact CE2-CE1 3.63Å; F105-H115 AromaticContact CE2-ND1 3.31Å; F105-H115 VanDerWaalsContact CE2-ND1 3.31Å; F105-H115 WeakPolarHBondContact CE2-ND1 3.39Å; F105-H115 AromaticContact CG-CE1 3.67Å; F105-H115 AromaticContact CG-ND1 3.69Å; F105-H115 AromaticContact CZ-CE1 3.75Å; F105-H115 AromaticContact CZ-ND1 3.9Å; F105-H115 PolarHBondContact O-CE1 2.95Å; H115-A117 PolarHBondContact O-N 3.37Å |
| 116 | F | 95.2 | Very high | 97.5 | Very high | 62 Ų | 62 | 73.3 Ų | 73.3 | 27% | 0.272 | 40% | 0.402 | S | S | . | . | S | Bend | trans | 51.1 | 27 | 173.4 | -45.1 | -65.4 | 0 | 0 | 0 | 116.2 | L101 F105 S118 L122 L125 | L101-F116 HydrophobicContact CD1-CE1 3.96Å; L101-F116 HydrophobicContact CD1-CZ 4.33Å; F105-F116 HydrophobicContact CD2-CE2 4.33Å; F105-F116 HydrophobicContact CD2-CZ 4.11Å; F105-F116 HydrophobicContact CE2-CE2 4.21Å; F105-F116 HydrophobicContact CE2-CZ 4.4Å; F116-S118 VanDerWaalsContact C-N 3.28Å; F116-S118 PolarHBondContact O-N 2.9Å; F116-L122 HydrophobicContact CB-CD2 4.12Å; F116-L122 WeakPolarHBondContact O-CD2 3.43Å; F116-L122 WeakPolarHBondContact O-CG 3.39Å; F116-L125 HydrophobicContact CD1-CB 4.04Å; F116-L125 HydrophobicContact CD1-CD2 3.97Å; F116-L125 HydrophobicContact CD2-CD2 4.27Å; F116-L125 HydrophobicContact CE1-CB 3.93Å; F116-L125 HydrophobicContact CE1-CD1 4.13Å; F116-L125 HydrophobicContact CE1-CD2 3.86Å; F116-L125 HydrophobicContact CE1-CG 4.19Å; F116-L125 HydrophobicContact CE2-CD2 4.15Å; F116-L125 HydrophobicContact CG-CD2 4.18Å; F116-L125 HydrophobicContact CZ-CD1 4.21Å; F116-L125 HydrophobicContact CZ-CD2 3.95Å |
| 117 | A | 94.9 | Very high | 97.5 | Very high | 75 Ų | 75 | 67.4 Ų | 67.4 | 62% | 0.62 | 38% | 0.379 | S | S | * | . | trans | -83.7 | 6.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | P114 H115 | P114-A117 HydrophobicContact CB-CB 4.15Å; P114-A117 HydrophobicContact CG-CB 4.23Å; H115-A117 PolarHBondContact O-N 3.37Å | ||
| 118 | S | 96.9 | Very high | 97.5 | Very high | 56 Ų | 56 | 67.3 Ų | 67.3 | 39% | 0.392 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -130.8 | 158.2 | -179.2 | 69.6 | 0 | 0 | 0 | 0 | 111.1 | F116 H120 G121 L122 | F116-S118 VanDerWaalsContact C-N 3.28Å; F116-S118 PolarHBondContact O-N 2.9Å; S118-H120 VanDerWaalsContact C-N 3.26Å; S118-H120 PolarHBondContact O-N 3.45Å; S118-G121 WeakPolarHBondContact O-CA 3.4Å; S118-G121 PolarHBondContact O-N 2.68Å; S118-G121 PolarHBondContact OG-N 3.31Å; S118-L122 PolarHBondContact O-N 3.46Å |
| 119 | W | 98.1 | Very high | 97.6 | Very high | 196 Ų | 196 | 68.6 Ų | 68.6 | 74% | 0.742 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -54.6 | -42.6 | 173.4 | -72.4 | 115.8 | 0 | 0 | 0 | 112.5 | G121 L122 V123 L176 | W119-G121 VanDerWaalsContact C-N 3.32Å; W119-G121 PolarHBondContact O-N 2.86Å; W119-L122 PolarHBondContact O-N 2.97Å; W119-V123 VanDerWaalsContact O-CB 3.31Å; W119-V123 WeakPolarHBondContact O-CB 3.38Å; W119-V123 VanDerWaalsContact O-CG2 3.29Å; W119-V123 WeakPolarHBondContact O-CG2 3.44Å; W119-V123 PolarHBondContact O-N 2.97Å; W119-L176 HydrophobicContact CB-CD1 4.28Å; W119-L176 HydrophobicContact CB-CD2 4.39Å |
| 120 | H | 98.2 | Very high | 97.6 | Very high | 44 Ų | 44 | 65.4 Ų | 65.4 | 20% | 0.204 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -56.3 | -46.7 | 173.6 | 174.5 | 65.5 | 0 | 0 | 0 | 111.7 | H48 S118 G124 S173 L176 G177 | H48-H120 AromaticContact NE2-NE2 3.53Å; S118-H120 VanDerWaalsContact C-N 3.26Å; S118-H120 PolarHBondContact O-N 3.45Å; H120-G124 WeakPolarHBondContact O-CA 3.29Å; H120-G124 PolarHBondContact O-N 3.41Å; H120-S173 PolarHBondContact CE1-O 3.06Å; H120-S173 PolarHBondContact ND1-O 2.62Å; H120-L176 HydrophobicContact CB-CB 3.83Å; H120-G177 PolarHBondContact ND1-N 3.45Å |
| 121 | G | 97.8 | Very high | 97.6 | Very high | 16 Ų | 16 | 61 Ų | 61 | 17% | 0.165 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S118 W119 L125 | S118-G121 WeakPolarHBondContact O-CA 3.4Å; S118-G121 PolarHBondContact O-N 2.68Å; S118-G121 PolarHBondContact OG-N 3.31Å; W119-G121 VanDerWaalsContact C-N 3.32Å; W119-G121 PolarHBondContact O-N 2.86Å; G121-L125 WeakPolarHBondContact O-CB 3.31Å; G121-L125 PolarHBondContact O-N 2.89Å |
| 122 | L | 98.3 | Very high | 97.6 | Very high | 92 Ų | 92 | 58.1 Ų | 58.1 | 48% | 0.482 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.1 | -50.6 | 179.5 | -69.5 | 170.8 | 0 | 0 | 0 | 111.9 | F116 S118 W119 G124 L125 G126 | F116-L122 HydrophobicContact CB-CD2 4.12Å; F116-L122 WeakPolarHBondContact O-CD2 3.43Å; F116-L122 WeakPolarHBondContact O-CG 3.39Å; S118-L122 PolarHBondContact O-N 3.46Å; W119-L122 PolarHBondContact O-N 2.97Å; L122-G124 VanDerWaalsContact C-N 3.31Å; L122-G124 PolarHBondContact O-N 3Å; L122-L125 PolarHBondContact O-N 3.39Å; L122-G126 PolarHBondContact O-N 2.88Å |
| 123 | V | 98.4 | Very high | 97.6 | Very high | 37 Ų | 37 | 59.3 Ų | 59.3 | 22% | 0.224 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64 | -40 | 178 | 175.7 | 0 | 0 | 0 | 0 | 110.3 | W119 G126 T127 V172 L176 | W119-V123 VanDerWaalsContact O-CB 3.31Å; W119-V123 WeakPolarHBondContact O-CB 3.38Å; W119-V123 VanDerWaalsContact O-CG2 3.29Å; W119-V123 WeakPolarHBondContact O-CG2 3.44Å; W119-V123 PolarHBondContact O-N 2.97Å; V123-G126 PolarHBondContact O-N 2.96Å; V123-T127 WeakPolarHBondContact O-CB 3.4Å; V123-T127 PolarHBondContact O-N 3.04Å; V123-T127 PolarHBondContact O-OG1 2.76Å; V123-V172 HydrophobicContact CG1-CG1 4.24Å; V123-L176 HydrophobicContact CB-CD1 4.07Å; V123-L176 HydrophobicContact CG1-CD1 4.4Å; V123-L176 HydrophobicContact CG2-CD1 3.98Å |
| 124 | G | 98.3 | Very high | 97.7 | Very high | 11 Ų | 11 | 54.8 Ų | 54.8 | 11% | 0.113 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.1 | -50.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | H120 L122 G126 T127 L128 S173 | H120-G124 WeakPolarHBondContact O-CA 3.29Å; H120-G124 PolarHBondContact O-N 3.41Å; L122-G124 VanDerWaalsContact C-N 3.31Å; L122-G124 PolarHBondContact O-N 3Å; G124-G126 PolarHBondContact O-N 3.13Å; G124-T127 WeakPolarHBondContact O-CB 3.39Å; G124-T127 PolarHBondContact O-N 3.26Å; G124-L128 VanDerWaalsContact O-CD1 3.23Å; G124-L128 WeakPolarHBondContact O-CD1 3.15Å; G124-L128 PolarHBondContact O-N 3.29Å; G124-S173 WeakPolarHBondContact CA-OG 3.41Å |
| 125 | L | 98.4 | Very high | 97.7 | Very high | 58 Ų | 58 | 52.3 Ų | 52.3 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 176.7 | -180 | 62.7 | 0 | 0 | 0 | 111.8 | L101 F116 G121 L122 T127 L128 C129 | L101-L125 HydrophobicContact CD2-CD1 4.15Å; F116-L125 HydrophobicContact CD1-CB 4.04Å; F116-L125 HydrophobicContact CD1-CD2 3.97Å; F116-L125 HydrophobicContact CD2-CD2 4.27Å; F116-L125 HydrophobicContact CE1-CB 3.93Å; F116-L125 HydrophobicContact CE1-CD1 4.13Å; F116-L125 HydrophobicContact CE1-CD2 3.86Å; F116-L125 HydrophobicContact CE1-CG 4.19Å; F116-L125 HydrophobicContact CE2-CD2 4.15Å; F116-L125 HydrophobicContact CG-CD2 4.18Å; F116-L125 HydrophobicContact CZ-CD1 4.21Å; F116-L125 HydrophobicContact CZ-CD2 3.95Å; G121-L125 WeakPolarHBondContact O-CB 3.31Å; G121-L125 PolarHBondContact O-N 2.89Å; L122-L125 PolarHBondContact O-N 3.39Å; L125-T127 VanDerWaalsContact C-N 3.29Å; L125-T127 PolarHBondContact O-N 3.08Å; L125-L128 PolarHBondContact O-N 3.39Å; L125-L128 VanDerWaalsContact O-N 3.17Å; L125-C129 PolarHBondContact O-N 2.93Å; L125-C129 PolarHBondContact O-SG 3.32Å |
| 126 | G | 98.6 | Very high | 97.6 | Very high | 33 Ų | 33 | 55.2 Ų | 55.2 | 34% | 0.34 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.7 | -42.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L122 V123 G124 L128 C129 V130 | L122-G126 PolarHBondContact O-N 2.88Å; V123-G126 PolarHBondContact O-N 2.96Å; G124-G126 PolarHBondContact O-N 3.13Å; G126-L128 VanDerWaalsContact C-N 3.35Å; G126-L128 PolarHBondContact O-N 3.26Å; G126-C129 PolarHBondContact O-N 3.42Å; G126-V130 WeakPolarHBondContact O-CG2 3.5Å; G126-V130 PolarHBondContact O-N 3.45Å |
| 127 | T | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 176.1 | -55 | 0 | 0 | 0 | 0 | 111.1 | F56 V123 G124 L125 C129 V130 V131 L169 | F56-T127 HydrophobicContact CD1-CG2 4.44Å; F56-T127 HydrophobicContact CE1-CG2 3.6Å; F56-T127 HydrophobicContact CZ-CG2 3.82Å; V123-T127 WeakPolarHBondContact O-CB 3.4Å; V123-T127 PolarHBondContact O-N 3.04Å; V123-T127 PolarHBondContact O-OG1 2.76Å; G124-T127 WeakPolarHBondContact O-CB 3.39Å; G124-T127 PolarHBondContact O-N 3.26Å; L125-T127 VanDerWaalsContact C-N 3.29Å; L125-T127 PolarHBondContact O-N 3.08Å; T127-C129 PolarHBondContact O-N 2.76Å; T127-V130 CarbonylContact O-C 3.59Å; T127-V130 PolarHBondContact O-N 3.45Å; T127-V131 WeakPolarHBondContact O-CG2 3.38Å; T127-V131 PolarHBondContact O-N 3.32Å; T127-L169 HydrophobicContact CG2-CB 4.06Å |
| 128 | L | 98.4 | Very high | 97.5 | Very high | 26 Ų | 26 | 51.8 Ų | 51.8 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 178.7 | -93.2 | 67.1 | 0 | 0 | 0 | 112.1 | M52 F56 A97 L101 G124 L125 G126 V130 V131 G132 | M52-L128 HydrophobicContact CE-CD1 4.37Å; M52-L128 HydrophobicContact CE-CD2 4.25Å; M52-L128 HydrophobicContact SD-CD1 4.4Å; F56-L128 HydrophobicContact CE2-CD1 3.88Å; F56-L128 HydrophobicContact CZ-CD1 3.73Å; A97-L128 HydrophobicContact CB-CD1 4.19Å; A97-L128 HydrophobicContact CB-CD2 4.39Å; A97-L128 HydrophobicContact CB-CG 4.1Å; L101-L128 HydrophobicContact CB-CD2 3.58Å; L101-L128 HydrophobicContact CD2-CD2 3.61Å; L101-L128 HydrophobicContact CG-CD2 4.09Å; G124-L128 VanDerWaalsContact O-CD1 3.23Å; G124-L128 WeakPolarHBondContact O-CD1 3.15Å; G124-L128 PolarHBondContact O-N 3.29Å; L125-L128 PolarHBondContact O-N 3.39Å; L125-L128 VanDerWaalsContact O-N 3.17Å; G126-L128 VanDerWaalsContact C-N 3.35Å; G126-L128 PolarHBondContact O-N 3.26Å; L128-V130 VanDerWaalsContact C-N 3.32Å; L128-V130 PolarHBondContact O-N 3.19Å; L128-V131 PolarHBondContact O-N 3.28Å; L128-G132 PolarHBondContact O-N 3.48Å |
| 129 | C | 98.5 | Very high | 97.3 | Very high | 77 Ų | 77 | 51.9 Ų | 51.9 | 52% | 0.52 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 172.8 | -66.5 | 0 | 0 | 0 | 0 | 111.2 | L125 G126 T127 V131 G132 V133 | L125-C129 PolarHBondContact O-N 2.93Å; L125-C129 PolarHBondContact O-SG 3.32Å; G126-C129 PolarHBondContact O-N 3.42Å; T127-C129 PolarHBondContact O-N 2.76Å; C129-V131 PolarHBondContact O-N 2.84Å; C129-G132 PolarHBondContact O-N 3.48Å; C129-V133 WeakPolarHBondContact O-CG2 3.43Å; C129-V133 PolarHBondContact O-N 2.96Å |
| 130 | V | 98.5 | Very high | 97 | Very high | 50 Ų | 50 | 43.6 Ų | 43.6 | 30% | 0.303 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 176.8 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | G126 T127 L128 G132 V133 Q134 T166 L169 | G126-V130 WeakPolarHBondContact O-CG2 3.5Å; G126-V130 PolarHBondContact O-N 3.45Å; T127-V130 CarbonylContact O-C 3.59Å; T127-V130 PolarHBondContact O-N 3.45Å; L128-V130 VanDerWaalsContact C-N 3.32Å; L128-V130 PolarHBondContact O-N 3.19Å; V130-G132 VanDerWaalsContact C-N 3.32Å; V130-G132 PolarHBondContact O-N 3.2Å; V130-V133 PolarHBondContact O-N 3.02Å; V130-Q134 WeakPolarHBondContact O-CB 3.33Å; V130-Q134 PolarHBondContact O-N 3.5Å; V130-T166 HydrophobicContact CG1-CG2 4.09Å; V130-T166 WeakPolarHBondContact CG1-OG1 3.42Å; V130-L169 HydrophobicContact CB-CD1 4.41Å; V130-L169 HydrophobicContact CG1-CD1 4.34Å; V130-L169 HydrophobicContact CG2-CD1 4.08Å |
| 131 | V | 98.4 | Very high | 96.7 | Very high | 8 Ų | 8 | 43.8 Ų | 43.8 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60 | -42.8 | 173.4 | 168.1 | 0 | 0 | 0 | 0 | 111.2 | F56 M60 A94 T127 L128 C129 Q134 S135 T166 | F56-V131 HydrophobicContact CE1-CG2 3.84Å; F56-V131 HydrophobicContact CZ-CG2 4.23Å; M60-V131 HydrophobicContact CE-CG2 3.96Å; A94-V131 HydrophobicContact CB-CG1 4.32Å; T127-V131 WeakPolarHBondContact O-CG2 3.38Å; T127-V131 PolarHBondContact O-N 3.32Å; L128-V131 PolarHBondContact O-N 3.28Å; C129-V131 PolarHBondContact O-N 2.84Å; V131-Q134 PolarHBondContact O-N 3.31Å; V131-S135 WeakPolarHBondContact O-CB 3.32Å; V131-S135 PolarHBondContact O-N 3.38Å; V131-S135 PolarHBondContact O-OG 3.4Å; V131-T166 HydrophobicContact CG2-CG2 3.65Å |
| 132 | G | 97.9 | Very high | 96.1 | Very high | 35 Ų | 35 | 48 Ų | 48 | 36% | 0.361 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.8 | -51.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L128 C129 V130 Q134 S135 L136 | L128-G132 PolarHBondContact O-N 3.48Å; C129-G132 PolarHBondContact O-N 3.48Å; V130-G132 VanDerWaalsContact C-N 3.32Å; V130-G132 PolarHBondContact O-N 3.2Å; G132-Q134 PolarHBondContact O-N 3.04Å; G132-S135 PolarHBondContact O-N 3.21Å; G132-L136 WeakPolarHBondContact O-CG 3.35Å; G132-L136 PolarHBondContact O-N 2.95Å; G132-L136 VanDerWaalsContact O-N 3.08Å |
| 133 | V | 97.9 | Very high | 95.7 | Very high | 99 Ų | 99 | 50.6 Ų | 50.6 | 60% | 0.6 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.5 | -44.5 | 176.9 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | C129 V130 S135 L136 A137 | C129-V133 WeakPolarHBondContact O-CG2 3.43Å; C129-V133 PolarHBondContact O-N 2.96Å; V130-V133 PolarHBondContact O-N 3.02Å; V133-S135 VanDerWaalsContact C-N 3.29Å; V133-S135 PolarHBondContact O-N 2.84Å; V133-L136 PolarHBondContact O-N 3.44Å; V133-A137 VanDerWaalsContact O-CB 3.24Å; V133-A137 WeakPolarHBondContact O-CB 3.42Å; V133-A137 PolarHBondContact O-N 3.36Å |
| 134 | Q | 97.6 | Very high | 95.1 | Very high | 24 Ų | 24 | 52.8 Ų | 52.8 | 11% | 0.112 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 179.2 | 178.8 | 65.6 | 5.2 | 0 | 0 | 111.9 | V130 V131 G132 A138 H159 S162 G163 | V130-Q134 WeakPolarHBondContact O-CB 3.33Å; V130-Q134 PolarHBondContact O-N 3.5Å; V131-Q134 PolarHBondContact O-N 3.31Å; G132-Q134 PolarHBondContact O-N 3.04Å; Q134-A138 PolarHBondContact O-N 3.02Å; Q134-A138 VanDerWaalsContact O-N 3.14Å; Q134-H159 PolarHBondContact NE2-CE1 3.24Å; Q134-H159 PolarHBondContact NE2-ND1 3.41Å; Q134-H159 VanDerWaalsContact NE2-ND1 3.2Å; Q134-H159 PolarHBondContact NE2-O 3.45Å; Q134-S162 PolarHBondContact NE2-OG 3.17Å; Q134-S162 PolarHBondContact OE1-OG 3.02Å; Q134-G163 VanDerWaalsContact NE2-CA 3.32Å |
| 135 | S | 96 | Very high | 94.7 | Very high | 39 Ų | 39 | 56.2 Ų | 56.2 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 176.9 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | V131 G132 V133 A138 | V131-S135 WeakPolarHBondContact O-CB 3.32Å; V131-S135 PolarHBondContact O-N 3.38Å; V131-S135 PolarHBondContact O-OG 3.4Å; G132-S135 PolarHBondContact O-N 3.21Å; V133-S135 VanDerWaalsContact C-N 3.29Å; V133-S135 PolarHBondContact O-N 2.84Å; S135-A138 WeakPolarHBondContact O-CB 3.43Å; S135-A138 PolarHBondContact O-N 3.46Å |
| 136 | L | 94.6 | Very high | 94.2 | Very high | 120 Ų | 120 | 58.7 Ų | 58.7 | 63% | 0.628 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.4 | -42.6 | 175.1 | -65.5 | 173.9 | 0 | 0 | 0 | 111.8 | G132 V133 A138 L139 | G132-L136 WeakPolarHBondContact O-CG 3.35Å; G132-L136 PolarHBondContact O-N 2.95Å; G132-L136 VanDerWaalsContact O-N 3.08Å; V133-L136 PolarHBondContact O-N 3.44Å; L136-A138 PolarHBondContact O-N 2.91Å; L136-A138 VanDerWaalsContact O-N 3.15Å; L136-L139 HydrophobicContact CD2-CD1 4.27Å; L136-L139 WeakPolarHBondContact O-CB 3.4Å; L136-L139 VanDerWaalsContact O-CG 3.32Å; L136-L139 WeakPolarHBondContact O-CG 3.42Å; L136-L139 PolarHBondContact O-N 3.34Å |
| 137 | A | 94 | Very high | 93.8 | Very high | 56 Ų | 56 | 57.9 Ų | 57.9 | 46% | 0.463 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.3 | -14.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V133 P140 | V133-A137 VanDerWaalsContact O-CB 3.24Å; V133-A137 WeakPolarHBondContact O-CB 3.42Å; V133-A137 PolarHBondContact O-N 3.36Å; A137-P140 WeakPolarHBondContact O-CD 3.45Å |
| 138 | A | 94 | Very high | 93.2 | Very high | 10 Ų | 10 | 66.6 Ų | 66.6 | 8% | 0.083 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -18 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | W87 Q134 S135 L136 P140 L141 | W87-A138 HydrophobicContact CZ3-CB 4.27Å; Q134-A138 PolarHBondContact O-N 3.02Å; Q134-A138 VanDerWaalsContact O-N 3.14Å; S135-A138 WeakPolarHBondContact O-CB 3.43Å; S135-A138 PolarHBondContact O-N 3.46Å; L136-A138 PolarHBondContact O-N 2.91Å; L136-A138 VanDerWaalsContact O-N 3.15Å; A138-P140 VanDerWaalsContact C-CD 3.49Å; A138-L141 HydrophobicContact CB-CD1 4.48Å; A138-L141 WeakPolarHBondContact O-CB 3.31Å; A138-L141 PolarHBondContact O-N 3.31Å |
| 139 | L | 92.6 | Very high | 92.7 | Very high | 58 Ų | 58 | 69.3 Ų | 69.3 | 30% | 0.304 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -56.1 | -39.8 | -177.8 | -64.2 | 175.7 | 0 | 0 | 0 | 113.6 | W87 L136 L141 L142 Y143 L146 | W87-L139 HydrophobicContact CH2-CD2 4.05Å; L136-L139 HydrophobicContact CD2-CD1 4.27Å; L136-L139 WeakPolarHBondContact O-CB 3.4Å; L136-L139 VanDerWaalsContact O-CG 3.32Å; L136-L139 WeakPolarHBondContact O-CG 3.42Å; L136-L139 PolarHBondContact O-N 3.34Å; L139-L141 PolarHBondContact O-N 2.96Å; L139-L141 VanDerWaalsContact O-N 3.13Å; L139-L142 WeakPolarHBondContact O-CB 3.28Å; L139-L142 PolarHBondContact O-N 3.35Å; L139-Y143 PolarHBondContact O-N 3.22Å; L139-L146 HydrophobicContact CB-CD1 3.99Å |
| 140 | P | 92.4 | Very high | 92.4 | Very high | 22 Ų | 22 | 70.6 Ų | 70.6 | 14% | 0.143 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.6 | -13.4 | 175.1 | -23 | 35.4 | 0 | 0 | 0 | 115.1 | A137 A138 L142 Y143 H144 L146 A147 L155 | A137-P140 WeakPolarHBondContact O-CD 3.45Å; A138-P140 VanDerWaalsContact C-CD 3.49Å; P140-L142 VanDerWaalsContact C-N 3.35Å; P140-Y143 WeakPolarHBondContact CA-O 3.27Å; P140-H144 WeakPolarHBondContact O-CA 3.47Å; P140-L146 HydrophobicContact CB-CB 4.33Å; P140-L146 HydrophobicContact CG-CB 4.13Å; P140-A147 HydrophobicContact CB-CB 3.65Å; P140-A147 HydrophobicContact CG-CB 4.19Å; P140-L155 HydrophobicContact CB-CD1 4.14Å; P140-L155 HydrophobicContact CB-CD2 4.49Å |
| 141 | L | 90.3 | Very high | 92.1 | Very high | 47 Ų | 47 | 71.5 Ų | 71.5 | 25% | 0.246 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -76.8 | -24.3 | 171.1 | -58.8 | 175.8 | 0 | 0 | 0 | 112.4 | A138 L139 L152 L155 K156 H159 | A138-L141 HydrophobicContact CB-CD1 4.48Å; A138-L141 WeakPolarHBondContact O-CB 3.31Å; A138-L141 PolarHBondContact O-N 3.31Å; L139-L141 PolarHBondContact O-N 2.96Å; L139-L141 VanDerWaalsContact O-N 3.13Å; L141-L152 HydrophobicContact CD2-CD1 4.07Å; L141-L155 HydrophobicContact CD2-CB 3.54Å; L141-K156 HydrophobicContact CD2-CG 3.85Å; L141-H159 HydrophobicContact CD1-CB 3.84Å |
| 142 | L | 86.3 | Confident | 91.7 | Very high | 104 Ų | 104 | 74.5 Ų | 74.5 | 55% | 0.545 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -91.1 | -44.1 | 173.8 | -63.3 | 173.5 | 0 | 0 | 0 | 110.8 | W87 L139 P140 | W87-L142 HydrophobicContact CD2-CD1 4.46Å; W87-L142 HydrophobicContact CE3-CD1 4.26Å; W87-L142 HydrophobicContact CH2-CD1 4.46Å; W87-L142 HydrophobicContact CZ3-CD1 4.26Å; L139-L142 WeakPolarHBondContact O-CB 3.28Å; L139-L142 PolarHBondContact O-N 3.35Å; P140-L142 VanDerWaalsContact C-N 3.35Å |
| 143 | Y | 88.9 | Confident | 91.3 | Very high | 147 Ų | 147 | 75.3 Ų | 75.3 | 58% | 0.576 | 43% | 0.428 | S | S | * | . | trans | -120.8 | 86.2 | -176.6 | -55.7 | -71.6 | 0 | 0 | 0 | 110 | L139 P140 S145 L146 | L139-Y143 PolarHBondContact O-N 3.22Å; P140-Y143 WeakPolarHBondContact CA-O 3.27Å; Y143-S145 PolarHBondContact O-N 3.37Å; Y143-L146 HydrophobicContact CD2-CD1 4.44Å; Y143-L146 WeakPolarHBondContact O-CB 3.15Å; Y143-L146 WeakPolarHBondContact O-CG 3.26Å; Y143-L146 PolarHBondContact O-N 2.87Å | ||
| 144 | H | 86.8 | Confident | 91 | Very high | 84 Ų | 84 | 74.1 Ų | 74.1 | 39% | 0.389 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -60.1 | -23.9 | -174.5 | -163.1 | 54.7 | 0 | 0 | 0 | 114.1 | P140 L146 A147 W150 | P140-H144 WeakPolarHBondContact O-CA 3.47Å; H144-L146 PolarHBondContact O-N 3.36Å; H144-L146 VanDerWaalsContact O-N 3.11Å; H144-A147 PolarHBondContact O-N 2.94Å; H144-A147 VanDerWaalsContact O-N 3.08Å; H144-W150 PolarHBondContact CE1-O 2.95Å; H144-W150 PolarHBondContact NE2-O 3.47Å; H144-W150 VanDerWaalsContact NE2-O 3.11Å |
| 145 | S | 89.1 | Confident | 90.7 | Very high | 83 Ų | 83 | 74 Ų | 74 | 58% | 0.58 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -57.6 | -21.5 | 173.9 | 53.5 | 0 | 0 | 0 | 0 | 114 | Y143 A147 | Y143-S145 PolarHBondContact O-N 3.37Å; S145-A147 VanDerWaalsContact C-N 3.31Å |
| 146 | L | 89.3 | Confident | 90.6 | Very high | 109 Ų | 109 | 77.2 Ų | 77.2 | 57% | 0.571 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -76.5 | -13.8 | 177.9 | -60.1 | 178.9 | 0 | 0 | 0 | 113.8 | L139 P140 Y143 H144 | L139-L146 HydrophobicContact CB-CD1 3.99Å; P140-L146 HydrophobicContact CB-CB 4.33Å; P140-L146 HydrophobicContact CG-CB 4.13Å; Y143-L146 HydrophobicContact CD2-CD1 4.44Å; Y143-L146 WeakPolarHBondContact O-CB 3.15Å; Y143-L146 WeakPolarHBondContact O-CG 3.26Å; Y143-L146 PolarHBondContact O-N 2.87Å; H144-L146 PolarHBondContact O-N 3.36Å; H144-L146 VanDerWaalsContact O-N 3.11Å |
| 147 | A | 89.3 | Confident | 90.4 | Very high | 17 Ų | 17 | 77.8 Ų | 77.8 | 14% | 0.14 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -133.9 | 58.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P140 H144 S145 G149 W150 L155 | P140-A147 HydrophobicContact CB-CB 3.65Å; P140-A147 HydrophobicContact CG-CB 4.19Å; H144-A147 PolarHBondContact O-N 2.94Å; H144-A147 VanDerWaalsContact O-N 3.08Å; S145-A147 VanDerWaalsContact C-N 3.31Å; A147-G149 PolarHBondContact O-N 3.14Å; A147-W150 HydrophobicContact CB-CB 4.45Å; A147-W150 PolarHBondContact O-N 3.4Å; A147-L155 HydrophobicContact CB-CD1 4.09Å; A147-L155 HydrophobicContact CB-CD2 4.06Å |
| 148 | K | 85.9 | Confident | 90.4 | Very high | 183 Ų | 183 | 81.4 Ų | 81.4 | 80% | 0.796 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 135.3 | 175.7 | -63.1 | -175.3 | -177.3 | 178.4 | 0 | 110.3 | ||
| 149 | G | 88.7 | Confident | 90.5 | Very high | 84 Ų | 84 | 82.8 Ų | 82.8 | 87% | 0.866 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | -5.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A147 | A147-G149 PolarHBondContact O-N 3.14Š|
| 150 | W | 91.8 | Very high | 90.6 | Very high | 104 Ų | 104 | 80.9 Ų | 80.9 | 39% | 0.394 | 42% | 0.418 | S | S | . | . | trans | -104.1 | 136.2 | 171.9 | -75 | 57.6 | 0 | 0 | 0 | 110.1 | H144 A147 K154 L155 Y158 | H144-W150 PolarHBondContact CE1-O 2.95Å; H144-W150 PolarHBondContact NE2-O 3.47Å; H144-W150 VanDerWaalsContact NE2-O 3.11Å; A147-W150 HydrophobicContact CB-CB 4.45Å; A147-W150 PolarHBondContact O-N 3.4Å; W150-K154 HydrophobicContact CD2-CD 3.94Å; W150-K154 HydrophobicContact CE3-CB 4.33Å; W150-K154 HydrophobicContact CE3-CD 3.48Å; W150-K154 VanDerWaalsContact CE3-CD 3.48Å; W150-K154 HydrophobicContact CE3-CG 3.65Å; W150-K154 HydrophobicContact CZ3-CD 3.82Å; W150-K154 VanDerWaalsContact CZ3-CE 3.46Å; W150-K154 HydrophobicContact CZ3-CG 3.88Å; W150-L155 HydrophobicContact CB-CD1 4.43Å; W150-L155 HydrophobicContact CB-CD2 4.03Å; W150-L155 HydrophobicContact CB-CG 4.05Å; W150-L155 HydrophobicContact CD2-CD2 4.27Å; W150-L155 HydrophobicContact CE3-CD2 3.8Å; W150-L155 HydrophobicContact CE3-CG 4.45Å; W150-L155 HydrophobicContact CG-CD2 4.38Å; W150-Y158 HydrophobicContact CE3-CD2 4.44Å; W150-Y158 HydrophobicContact CH2-CD2 4.32Å; W150-Y158 HydrophobicContact CH2-CE2 4.17Å; W150-Y158 AromaticContact CZ3-CD2 3.54Å; W150-Y158 HydrophobicContact CZ3-CD2 3.54Å; W150-Y158 AromaticContact CZ3-CE2 3.7Å; W150-Y158 HydrophobicContact CZ3-CE2 3.7Å; W150-Y158 HydrophobicContact CZ3-CG 4.2Å | ||
| 151 | S | 92.4 | Very high | 90.7 | Very high | 68 Ų | 68 | 82.4 Ų | 82.4 | 48% | 0.476 | 43% | 0.432 | S | S | . | . | trans | -74.9 | 148.3 | 171.3 | 71.8 | 0 | 0 | 0 | 0 | 111 | A153 K154 L155 | S151-A153 PolarHBondContact O-N 3.01Å; S151-K154 WeakPolarHBondContact O-CA 3.46Å; S151-K154 WeakPolarHBondContact O-CB 3.41Å; S151-K154 PolarHBondContact O-N 3.49Å; S151-K154 WeakPolarHBondContact OG-CB 3.2Å; S151-K154 PolarHBondContact OG-N 2.99Å; S151-L155 PolarHBondContact O-N 2.68Å | ||
| 152 | L | 89.5 | Confident | 91 | Very high | 71 Ų | 71 | 82.3 Ų | 82.3 | 37% | 0.372 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -56.7 | -33.6 | 175.6 | -177.1 | 61.4 | 0 | 0 | 0 | 112.4 | L141 L155 K156 | L141-L152 HydrophobicContact CD2-CD1 4.07Å; L152-L155 PolarHBondContact O-N 3.21Å; L152-K156 HydrophobicContact CD1-CG 4.48Å; L152-K156 HydrophobicContact CG-CD 4.32Å; L152-K156 WeakPolarHBondContact O-CB 3.37Å; L152-K156 VanDerWaalsContact O-CG 3.32Å; L152-K156 WeakPolarHBondContact O-CG 3.27Å; L152-K156 PolarHBondContact O-N 3.05Å |
| 153 | A | 89.8 | Confident | 91.5 | Very high | 52 Ų | 52 | 78.3 Ų | 78.3 | 43% | 0.43 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S151 R157 | S151-A153 PolarHBondContact O-N 3.01Å; A153-R157 PolarHBondContact O-N 2.9Å; A153-R157 VanDerWaalsContact O-N 3.16Å |
| 154 | K | 90.9 | Very high | 91.9 | Very high | 74 Ų | 74 | 72.5 Ų | 72.5 | 32% | 0.322 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.1 | -50 | 175.3 | -170.4 | 179.3 | 179.5 | -172.4 | 0 | 110.2 | W150 S151 K156 R157 Y158 | W150-K154 HydrophobicContact CD2-CD 3.94Å; W150-K154 HydrophobicContact CE3-CB 4.33Å; W150-K154 HydrophobicContact CE3-CD 3.48Å; W150-K154 VanDerWaalsContact CE3-CD 3.48Å; W150-K154 HydrophobicContact CE3-CG 3.65Å; W150-K154 HydrophobicContact CZ3-CD 3.82Å; W150-K154 VanDerWaalsContact CZ3-CE 3.46Å; W150-K154 HydrophobicContact CZ3-CG 3.88Å; S151-K154 WeakPolarHBondContact O-CA 3.46Å; S151-K154 WeakPolarHBondContact O-CB 3.41Å; S151-K154 PolarHBondContact O-N 3.49Å; S151-K154 WeakPolarHBondContact OG-CB 3.2Å; S151-K154 PolarHBondContact OG-N 2.99Å; K154-K156 PolarHBondContact O-N 3.38Å; K154-R157 WeakPolarHBondContact O-CB 3.28Å; K154-R157 PolarHBondContact O-N 3.06Å; K154-Y158 HydrophobicContact CD-CE2 4.24Å; K154-Y158 HydrophobicContact CG-CD2 3.81Å; K154-Y158 HydrophobicContact CG-CE2 3.61Å; K154-Y158 WeakPolarHBondContact O-CD2 3.27Å; K154-Y158 PolarHBondContact O-N 3.14Å |
| 155 | L | 93.1 | Very high | 92.4 | Very high | 21 Ų | 21 | 72.3 Ų | 72.3 | 11% | 0.11 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -56.4 | -46.9 | 178.1 | -66.2 | 170.3 | 0 | 0 | 0 | 112.2 | P140 L141 A147 W150 S151 L152 R157 Y158 H159 | P140-L155 HydrophobicContact CB-CD1 4.14Å; P140-L155 HydrophobicContact CB-CD2 4.49Å; L141-L155 HydrophobicContact CD2-CB 3.54Å; A147-L155 HydrophobicContact CB-CD1 4.09Å; A147-L155 HydrophobicContact CB-CD2 4.06Å; W150-L155 HydrophobicContact CB-CD1 4.43Å; W150-L155 HydrophobicContact CB-CD2 4.03Å; W150-L155 HydrophobicContact CB-CG 4.05Å; W150-L155 HydrophobicContact CD2-CD2 4.27Å; W150-L155 HydrophobicContact CE3-CD2 3.8Å; W150-L155 HydrophobicContact CE3-CG 4.45Å; W150-L155 HydrophobicContact CG-CD2 4.38Å; S151-L155 PolarHBondContact O-N 2.68Å; L152-L155 PolarHBondContact O-N 3.21Å; L155-R157 VanDerWaalsContact C-N 3.27Å; L155-R157 PolarHBondContact O-N 2.74Å; L155-Y158 PolarHBondContact O-N 2.85Å; L155-H159 VanDerWaalsContact O-CB 3.3Å; L155-H159 WeakPolarHBondContact O-CB 3.43Å; L155-H159 PolarHBondContact O-N 3.49Å |
| 156 | K | 92.1 | Very high | 92.9 | Very high | 107 Ų | 107 | 68.6 Ų | 68.6 | 47% | 0.465 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.6 | -31.9 | 177 | -74.7 | 177.6 | 176.9 | 179.6 | 0 | 113.5 | L141 L152 K154 A160 Y214 | L141-K156 HydrophobicContact CD2-CG 3.85Å; L152-K156 HydrophobicContact CD1-CG 4.48Å; L152-K156 HydrophobicContact CG-CD 4.32Å; L152-K156 WeakPolarHBondContact O-CB 3.37Å; L152-K156 VanDerWaalsContact O-CG 3.32Å; L152-K156 WeakPolarHBondContact O-CG 3.27Å; L152-K156 PolarHBondContact O-N 3.05Å; K154-K156 PolarHBondContact O-N 3.38Å; K156-A160 WeakPolarHBondContact O-CB 3.31Å; K156-A160 PolarHBondContact O-N 3.05Å; K156-Y214 PolarHBondContact O-OH 2.99Å |
| 157 | R | 91.8 | Very high | 93.3 | Very high | 133 Ų | 133 | 63.7 Ų | 63.7 | 50% | 0.502 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -71.2 | -49.4 | 176.9 | -174.7 | -173 | -64 | 157.7 | -2 | 111.1 | A153 K154 L155 A160 A161 Y214 | A153-R157 PolarHBondContact O-N 2.9Å; A153-R157 VanDerWaalsContact O-N 3.16Å; K154-R157 WeakPolarHBondContact O-CB 3.28Å; K154-R157 PolarHBondContact O-N 3.06Å; L155-R157 VanDerWaalsContact C-N 3.27Å; L155-R157 PolarHBondContact O-N 2.74Å; R157-A160 PolarHBondContact O-N 3.28Å; R157-A161 WeakPolarHBondContact O-CB 3.31Å; R157-A161 PolarHBondContact O-N 3.31Å; R157-Y214 HydrophobicContact CB-CD1 4.16Å; R157-Y214 HydrophobicContact CB-CE1 3.98Å; R157-Y214 HydrophobicContact CG-CD1 3.83Å; R157-Y214 HydrophobicContact CG-CE1 4.14Å |
| 158 | Y | 93.6 | Very high | 93.7 | Very high | 131 Ų | 131 | 65.8 Ų | 65.8 | 51% | 0.514 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 178.6 | -79 | -81.5 | 0 | 0 | 0 | 111.8 | W150 K154 L155 A160 A161 S162 | W150-Y158 HydrophobicContact CE3-CD2 4.44Å; W150-Y158 HydrophobicContact CH2-CD2 4.32Å; W150-Y158 HydrophobicContact CH2-CE2 4.17Å; W150-Y158 AromaticContact CZ3-CD2 3.54Å; W150-Y158 HydrophobicContact CZ3-CD2 3.54Å; W150-Y158 AromaticContact CZ3-CE2 3.7Å; W150-Y158 HydrophobicContact CZ3-CE2 3.7Å; W150-Y158 HydrophobicContact CZ3-CG 4.2Å; K154-Y158 HydrophobicContact CD-CE2 4.24Å; K154-Y158 HydrophobicContact CG-CD2 3.81Å; K154-Y158 HydrophobicContact CG-CE2 3.61Å; K154-Y158 WeakPolarHBondContact O-CD2 3.27Å; K154-Y158 PolarHBondContact O-N 3.14Å; L155-Y158 PolarHBondContact O-N 2.85Å; Y158-A160 VanDerWaalsContact C-N 3.29Å; Y158-A160 PolarHBondContact O-N 3.47Å; Y158-A161 PolarHBondContact O-N 2.95Å; Y158-A161 VanDerWaalsContact O-N 3.16Å; Y158-S162 PolarHBondContact O-N 2.92Å; Y158-S162 PolarHBondContact O-OG 3.5Å |
| 159 | H | 95.4 | Very high | 94.3 | Very high | 39 Ų | 39 | 59.8 Ų | 59.8 | 18% | 0.181 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.2 | -40.4 | 177 | 177.5 | 79.9 | 0 | 0 | 0 | 112.5 | Q134 L141 L155 S162 G163 | Q134-H159 PolarHBondContact NE2-CE1 3.24Å; Q134-H159 PolarHBondContact NE2-ND1 3.41Å; Q134-H159 VanDerWaalsContact NE2-ND1 3.2Å; Q134-H159 PolarHBondContact NE2-O 3.45Å; L141-H159 HydrophobicContact CD1-CB 3.84Å; L155-H159 VanDerWaalsContact O-CB 3.3Å; L155-H159 WeakPolarHBondContact O-CB 3.43Å; L155-H159 PolarHBondContact O-N 3.49Å; H159-S162 PolarHBondContact O-OG 3.39Å; H159-G163 WeakPolarHBondContact O-CA 3.48Å; H159-G163 PolarHBondContact O-N 2.89Å |
| 160 | A | 94.8 | Very high | 94.8 | Very high | 19 Ų | 19 | 55.9 Ų | 55.9 | 16% | 0.157 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -73.5 | -35.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K156 R157 Y158 G163 L164 V210 Y214 | K156-A160 WeakPolarHBondContact O-CB 3.31Å; K156-A160 PolarHBondContact O-N 3.05Å; R157-A160 PolarHBondContact O-N 3.28Å; Y158-A160 VanDerWaalsContact C-N 3.29Å; Y158-A160 PolarHBondContact O-N 3.47Å; A160-G163 PolarHBondContact O-N 2.97Å; A160-L164 PolarHBondContact O-N 3.38Å; A160-V210 HydrophobicContact CB-CG1 4.43Å; A160-Y214 HydrophobicContact CB-CD2 4.23Å; A160-Y214 HydrophobicContact CB-CE1 4.38Å; A160-Y214 HydrophobicContact CB-CE2 3.21Å; A160-Y214 WeakPolarHBondContact CB-OH 3.32Å |
| 161 | A | 94.7 | Very high | 95.1 | Very high | 54 Ų | 54 | 51.1 Ų | 51.1 | 45% | 0.446 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.3 | -48.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R157 Y158 G163 L164 V165 | R157-A161 WeakPolarHBondContact O-CB 3.31Å; R157-A161 PolarHBondContact O-N 3.31Å; Y158-A161 PolarHBondContact O-N 2.95Å; Y158-A161 VanDerWaalsContact O-N 3.16Å; A161-G163 VanDerWaalsContact C-N 3.3Å; A161-G163 PolarHBondContact O-N 2.86Å; A161-L164 PolarHBondContact O-N 2.91Å; A161-V165 PolarHBondContact O-N 3.48Å |
| 162 | S | 96.5 | Very high | 95.4 | Very high | 45 Ų | 45 | 51.2 Ų | 51.2 | 32% | 0.315 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.7 | -32.9 | 175.1 | 61.6 | 0 | 0 | 0 | 0 | 112.2 | Q134 Y158 H159 V165 T166 | Q134-S162 PolarHBondContact NE2-OG 3.17Å; Q134-S162 PolarHBondContact OE1-OG 3.02Å; Y158-S162 PolarHBondContact O-N 2.92Å; Y158-S162 PolarHBondContact O-OG 3.5Å; H159-S162 PolarHBondContact O-OG 3.39Å; S162-V165 PolarHBondContact O-N 2.71Å; S162-T166 PolarHBondContact O-N 3.44Å; S162-T166 PolarHBondContact O-OG1 3.2Å |
| 163 | G | 97.3 | Very high | 95.9 | Very high | 20 Ų | 20 | 48.4 Ų | 48.4 | 21% | 0.206 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q134 H159 A160 A161 T166 Y167 | Q134-G163 VanDerWaalsContact NE2-CA 3.32Å; H159-G163 WeakPolarHBondContact O-CA 3.48Å; H159-G163 PolarHBondContact O-N 2.89Å; A160-G163 PolarHBondContact O-N 2.97Å; A161-G163 VanDerWaalsContact C-N 3.3Å; A161-G163 PolarHBondContact O-N 2.86Å; G163-T166 WeakPolarHBondContact O-CB 3.33Å; G163-T166 PolarHBondContact O-N 2.94Å; G163-Y167 PolarHBondContact O-N 3.29Å |
| 164 | L | 97.2 | Very high | 96.3 | Very high | 25 Ų | 25 | 46.7 Ų | 46.7 | 13% | 0.131 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.7 | -42.3 | 173.7 | 177.3 | 60.5 | 0 | 0 | 0 | 111.7 | A160 A161 T166 Y167 L168 I206 M207 V210 | A160-L164 PolarHBondContact O-N 3.38Å; A161-L164 PolarHBondContact O-N 2.91Å; L164-T166 VanDerWaalsContact C-N 3.3Å; L164-T166 PolarHBondContact O-N 2.87Å; L164-Y167 PolarHBondContact O-N 3.38Å; L164-L168 HydrophobicContact CD1-CG 4.48Å; L164-L168 HydrophobicContact CG-CD1 4.23Å; L164-L168 WeakPolarHBondContact O-CG 3.35Å; L164-L168 PolarHBondContact O-N 2.91Å; L164-I206 HydrophobicContact CD1-CG2 4.22Å; L164-M207 HydrophobicContact CD1-CB 4.1Å; L164-M207 HydrophobicContact CD1-CG 4.42Å; L164-M207 HydrophobicContact CD2-CG 4.24Å; L164-V210 HydrophobicContact CB-CG1 4.24Å; L164-V210 HydrophobicContact CD2-CB 4.34Å; L164-V210 HydrophobicContact CD2-CG1 4.2Å |
| 165 | V | 97.6 | Very high | 96.6 | Very high | 80 Ų | 80 | 45.8 Ų | 45.8 | 49% | 0.485 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.5 | -42.3 | 173.4 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | A161 S162 Y167 L168 L169 | A161-V165 PolarHBondContact O-N 3.48Å; S162-V165 PolarHBondContact O-N 2.71Å; V165-Y167 VanDerWaalsContact C-N 3.34Å; V165-Y167 PolarHBondContact O-N 2.88Å; V165-L168 PolarHBondContact O-N 3.27Å; V165-L169 HydrophobicContact CG1-CD1 4.29Å; V165-L169 WeakPolarHBondContact O-CG 3.4Å; V165-L169 PolarHBondContact O-N 3.24Å |
| 166 | T | 98.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 47.2 Ų | 47.2 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 176.3 | -52.8 | 0 | 0 | 0 | 0 | 111.3 | M60 V130 V131 S162 G163 L164 L169 G170 | M60-T166 HydrophobicContact CE-CG2 4.2Å; V130-T166 HydrophobicContact CG1-CG2 4.09Å; V130-T166 WeakPolarHBondContact CG1-OG1 3.42Å; V131-T166 HydrophobicContact CG2-CG2 3.65Å; S162-T166 PolarHBondContact O-N 3.44Å; S162-T166 PolarHBondContact O-OG1 3.2Å; G163-T166 WeakPolarHBondContact O-CB 3.33Å; G163-T166 PolarHBondContact O-N 2.94Å; L164-T166 VanDerWaalsContact C-N 3.3Å; L164-T166 PolarHBondContact O-N 2.87Å; T166-L169 PolarHBondContact O-N 3.5Å; T166-G170 PolarHBondContact O-N 3.19Å |
| 167 | Y | 98.4 | Very high | 97.2 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 2% | 0.02 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.3 | -41.7 | 177.2 | -169.5 | -84.9 | 0 | 0 | 0 | 112.4 | M60 T61 G163 L164 V165 G170 S171 I206 | M60-Y167 HydrophobicContact CG-CD2 3.9Å; M60-Y167 HydrophobicContact CG-CE2 4.38Å; M60-Y167 HydrophobicContact SD-CD2 3.88Å; T61-Y167 WeakPolarHBondContact OG1-CE2 3.4Å; T61-Y167 PolarHBondContact OG1-OH 2.99Å; G163-Y167 PolarHBondContact O-N 3.29Å; L164-Y167 PolarHBondContact O-N 3.38Å; V165-Y167 VanDerWaalsContact C-N 3.34Å; V165-Y167 PolarHBondContact O-N 2.88Å; Y167-G170 PolarHBondContact O-N 3.46Å; Y167-S171 WeakPolarHBondContact CE1-OG 3.47Å; Y167-S171 WeakPolarHBondContact O-CB 3.27Å; Y167-S171 PolarHBondContact O-N 2.8Å; Y167-S171 PolarHBondContact O-OG 2.9Å; Y167-I206 HydrophobicContact CD1-CB 4.28Å; Y167-I206 HydrophobicContact CD1-CG2 3.97Å; Y167-I206 HydrophobicContact CD2-CG2 4.38Å; Y167-I206 HydrophobicContact CE1-CB 4.05Å; Y167-I206 HydrophobicContact CE1-CG1 4.01Å; Y167-I206 HydrophobicContact CE1-CG2 4.21Å; Y167-I206 HydrophobicContact CE2-CG1 4.25Å; Y167-I206 HydrophobicContact CG-CG2 4.08Å |
| 168 | L | 98.3 | Very high | 97.5 | Very high | 61 Ų | 61 | 36.6 Ų | 36.6 | 32% | 0.319 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.6 | -46.1 | 176.4 | -74.2 | 165.4 | 0 | 0 | 0 | 111.4 | L164 V165 G170 S171 V172 T203 | L164-L168 HydrophobicContact CD1-CG 4.48Å; L164-L168 HydrophobicContact CG-CD1 4.23Å; L164-L168 WeakPolarHBondContact O-CG 3.35Å; L164-L168 PolarHBondContact O-N 2.91Å; V165-L168 PolarHBondContact O-N 3.27Å; L168-G170 PolarHBondContact O-N 3.46Å; L168-S171 PolarHBondContact O-N 3.03Å; L168-V172 WeakPolarHBondContact O-CG2 3.31Å; L168-V172 PolarHBondContact O-N 3Å; L168-T203 HydrophobicContact CD2-CG2 3.31Å; L168-T203 HydrophobicContact CG-CG2 4.47Å |
| 169 | L | 98.6 | Very high | 97.7 | Very high | 57 Ų | 57 | 33.9 Ų | 33.9 | 30% | 0.298 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.9 | -44.7 | 176.5 | -72.1 | 172.6 | 0 | 0 | 0 | 111.9 | T127 V130 V165 T166 S171 V172 S173 | T127-L169 HydrophobicContact CG2-CB 4.06Å; V130-L169 HydrophobicContact CB-CD1 4.41Å; V130-L169 HydrophobicContact CG1-CD1 4.34Å; V130-L169 HydrophobicContact CG2-CD1 4.08Å; V165-L169 HydrophobicContact CG1-CD1 4.29Å; V165-L169 WeakPolarHBondContact O-CG 3.4Å; V165-L169 PolarHBondContact O-N 3.24Å; T166-L169 PolarHBondContact O-N 3.5Å; L169-S171 VanDerWaalsContact C-N 3.33Å; L169-S171 PolarHBondContact O-N 3.39Å; L169-V172 PolarHBondContact O-N 2.92Å; L169-S173 WeakPolarHBondContact O-CB 3.39Å; L169-S173 PolarHBondContact O-N 3.14Å |
| 170 | G | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59 | -43.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T166 Y167 L168 S173 L174 | T166-G170 PolarHBondContact O-N 3.19Å; Y167-G170 PolarHBondContact O-N 3.46Å; L168-G170 PolarHBondContact O-N 3.46Å; G170-S173 WeakPolarHBondContact O-CB 3.1Å; G170-S173 PolarHBondContact O-N 3.15Å; G170-L174 WeakPolarHBondContact O-CG 3.34Å; G170-L174 PolarHBondContact O-N 3.08Å |
| 171 | S | 98.6 | Very high | 97.8 | Very high | 5 Ų | 5 | 38.9 Ų | 38.9 | 4% | 0.035 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.8 | -40.5 | 179.5 | -58.6 | 0 | 0 | 0 | 0 | 112.7 | Y167 L168 L169 S173 L174 L175 T203 | Y167-S171 WeakPolarHBondContact CE1-OG 3.47Å; Y167-S171 WeakPolarHBondContact O-CB 3.27Å; Y167-S171 PolarHBondContact O-N 2.8Å; Y167-S171 PolarHBondContact O-OG 2.9Å; L168-S171 PolarHBondContact O-N 3.03Å; L169-S171 VanDerWaalsContact C-N 3.33Å; L169-S171 PolarHBondContact O-N 3.39Å; S171-S173 VanDerWaalsContact C-N 3.32Å; S171-L174 PolarHBondContact O-N 3.11Å; S171-L175 WeakPolarHBondContact O-CG 3.3Å; S171-L175 PolarHBondContact O-N 2.8Å; S171-T203 WeakPolarHBondContact CB-OG1 3.42Å; S171-T203 PolarHBondContact OG-OG1 2.94Å |
| 172 | V | 98.7 | Very high | 97.9 | Very high | 69 Ų | 69 | 39.6 Ų | 39.6 | 42% | 0.418 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62 | -42 | 171.6 | 170.8 | 0 | 0 | 0 | 0 | 110.5 | V123 L168 L169 L174 L175 L176 | V123-V172 HydrophobicContact CG1-CG1 4.24Å; L168-V172 WeakPolarHBondContact O-CG2 3.31Å; L168-V172 PolarHBondContact O-N 3Å; L169-V172 PolarHBondContact O-N 2.92Å; V172-L174 PolarHBondContact O-N 3Å; V172-L175 PolarHBondContact O-N 3.24Å; V172-L176 HydrophobicContact CG1-CD1 3.98Å; V172-L176 HydrophobicContact CG1-CG 4.38Å; V172-L176 WeakPolarHBondContact O-CB 3.36Å; V172-L176 VanDerWaalsContact O-CG 3.3Å; V172-L176 WeakPolarHBondContact O-CG 3.39Å; V172-L176 PolarHBondContact O-N 3.44Å |
| 173 | S | 98.6 | Very high | 98 | Very high | 12 Ų | 12 | 37.6 Ų | 37.6 | 8% | 0.084 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.2 | -41.7 | 176.6 | -169.9 | 0 | 0 | 0 | 0 | 112.2 | H120 G124 L169 G170 S171 L176 G177 | H120-S173 PolarHBondContact CE1-O 3.06Å; H120-S173 PolarHBondContact ND1-O 2.62Å; G124-S173 WeakPolarHBondContact CA-OG 3.41Å; L169-S173 WeakPolarHBondContact O-CB 3.39Å; L169-S173 PolarHBondContact O-N 3.14Å; G170-S173 WeakPolarHBondContact O-CB 3.1Å; G170-S173 PolarHBondContact O-N 3.15Å; S171-S173 VanDerWaalsContact C-N 3.32Å; S173-L176 PolarHBondContact O-N 2.96Å; S173-G177 PolarHBondContact O-N 3.33Å |
| 174 | L | 98.7 | Very high | 98 | Very high | 17 Ų | 17 | 40 Ų | 40 | 9% | 0.089 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61 | -46.5 | 173.8 | -71.1 | 175 | 0 | 0 | 0 | 111.7 | F30 F56 G170 S171 V172 L176 G177 I178 P199 | F30-L174 HydrophobicContact CE1-CD1 4.45Å; F30-L174 HydrophobicContact CE1-CD2 4.36Å; F56-L174 HydrophobicContact CB-CD1 4Å; F56-L174 HydrophobicContact CB-CD2 4.49Å; F56-L174 HydrophobicContact CB-CG 4.29Å; G170-L174 WeakPolarHBondContact O-CG 3.34Å; G170-L174 PolarHBondContact O-N 3.08Å; S171-L174 PolarHBondContact O-N 3.11Å; V172-L174 PolarHBondContact O-N 3Å; L174-L176 PolarHBondContact O-N 3.31Å; L174-G177 WeakPolarHBondContact O-CA 3.42Å; L174-G177 PolarHBondContact O-N 2.93Å; L174-I178 WeakPolarHBondContact O-CG1 3.42Å; L174-I178 PolarHBondContact O-N 3.16Å; L174-P199 HydrophobicContact CB-CB 4.42Å; L174-P199 HydrophobicContact CD1-CB 4.32Å |
| 175 | L | 98.6 | Very high | 98 | Very high | 54 Ų | 54 | 42 Ų | 42 | 28% | 0.283 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.5 | -43.9 | 176.2 | -72.9 | 170.1 | 0 | 0 | 0 | 111.7 | S171 V172 G177 I178 C179 A196 P199 | S171-L175 WeakPolarHBondContact O-CG 3.3Å; S171-L175 PolarHBondContact O-N 2.8Å; V172-L175 PolarHBondContact O-N 3.24Å; L175-G177 PolarHBondContact O-N 3.44Å; L175-I178 WeakPolarHBondContact O-CB 3.42Å; L175-I178 PolarHBondContact O-N 3.33Å; L175-I178 VanDerWaalsContact O-N 3.16Å; L175-C179 PolarHBondContact O-N 3.5Å; L175-C179 PolarHBondContact O-SG 3.33Å; L175-A196 HydrophobicContact CD2-CB 4.12Å; L175-A196 WeakPolarHBondContact CD2-O 3.35Å; L175-P199 HydrophobicContact CD2-CG 3.8Å; L175-P199 HydrophobicContact CG-CG 4.14Å |
| 176 | L | 98.6 | Very high | 97.9 | Very high | 51 Ų | 51 | 41.6 Ų | 41.6 | 27% | 0.267 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.2 | -31.1 | 174 | -69.8 | 170.7 | 0 | 0 | 0 | 112.2 | W119 H120 V123 V172 S173 L174 C179 S180 | W119-L176 HydrophobicContact CB-CD1 4.28Å; W119-L176 HydrophobicContact CB-CD2 4.39Å; H120-L176 HydrophobicContact CB-CB 3.83Å; V123-L176 HydrophobicContact CB-CD1 4.07Å; V123-L176 HydrophobicContact CG1-CD1 4.4Å; V123-L176 HydrophobicContact CG2-CD1 3.98Å; V172-L176 HydrophobicContact CG1-CD1 3.98Å; V172-L176 HydrophobicContact CG1-CG 4.38Å; V172-L176 WeakPolarHBondContact O-CB 3.36Å; V172-L176 VanDerWaalsContact O-CG 3.3Å; V172-L176 WeakPolarHBondContact O-CG 3.39Å; V172-L176 PolarHBondContact O-N 3.44Å; S173-L176 PolarHBondContact O-N 2.96Å; L174-L176 PolarHBondContact O-N 3.31Å; L176-C179 PolarHBondContact O-N 3.06Å; L176-S180 PolarHBondContact O-N 3.19Å |
| 177 | G | 98.2 | Very high | 97.8 | Very high | 15 Ų | 15 | 41.9 Ų | 41.9 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | H120 S173 L174 L175 C179 S180 | H120-G177 PolarHBondContact ND1-N 3.45Å; S173-G177 PolarHBondContact O-N 3.33Å; L174-G177 WeakPolarHBondContact O-CA 3.42Å; L174-G177 PolarHBondContact O-N 2.93Å; L175-G177 PolarHBondContact O-N 3.44Å; G177-C179 VanDerWaalsContact C-N 3.26Å; G177-C179 PolarHBondContact O-N 3.44Å; G177-S180 WeakPolarHBondContact O-CB 3.19Å; G177-S180 PolarHBondContact O-N 3.36Å; G177-S180 PolarHBondContact O-OG 2.91Å |
| 178 | I | 98.1 | Very high | 97.6 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.3 | -30.4 | 173.1 | -67.7 | 168.4 | 0 | 0 | 0 | 111.5 | F30 L174 L175 S180 F183 W192 A195 A196 P199 | F30-I178 HydrophobicContact CE2-CD1 3.61Å; F30-I178 HydrophobicContact CE2-CG1 4.26Å; F30-I178 HydrophobicContact CZ-CD1 3.69Å; F30-I178 HydrophobicContact CZ-CG1 4.14Å; L174-I178 WeakPolarHBondContact O-CG1 3.42Å; L174-I178 PolarHBondContact O-N 3.16Å; L175-I178 WeakPolarHBondContact O-CB 3.42Å; L175-I178 PolarHBondContact O-N 3.33Å; L175-I178 VanDerWaalsContact O-N 3.16Å; I178-S180 VanDerWaalsContact C-N 3.27Å; I178-S180 PolarHBondContact O-N 2.85Å; I178-F183 HydrophobicContact CB-CD1 4.21Å; I178-F183 HydrophobicContact CB-CE1 4.35Å; I178-F183 HydrophobicContact CG1-CE1 4.45Å; I178-F183 HydrophobicContact CG1-CZ 4.47Å; I178-F183 HydrophobicContact CG2-CD1 3.76Å; I178-F183 HydrophobicContact CG2-CE1 3.66Å; I178-F183 HydrophobicContact CG2-CZ 4.41Å; I178-F183 WeakPolarHBondContact O-CB 3.42Å; I178-F183 WeakPolarHBondContact O-CD1 3.24Å; I178-W192 HydrophobicContact CG2-CD2 4.28Å; I178-W192 HydrophobicContact CG2-CG 4.5Å; I178-W192 HydrophobicContact CG2-CZ2 3.87Å; I178-W192 PolarHBondContact O-NE1 3.32Å; I178-A195 HydrophobicContact CD1-CB 4.46Å; I178-A196 HydrophobicContact CG2-CB 4.33Å; I178-P199 HydrophobicContact CD1-CG 4.2Å |
| 179 | C | 97.6 | Very high | 97.3 | Very high | 73 Ų | 73 | 43.8 Ų | 43.8 | 49% | 0.493 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -3.2 | 172.9 | -60.6 | 0 | 0 | 0 | 0 | 113.8 | L175 L176 G177 | L175-C179 PolarHBondContact O-N 3.5Å; L175-C179 PolarHBondContact O-SG 3.33Å; L176-C179 PolarHBondContact O-N 3.06Å; G177-C179 VanDerWaalsContact C-N 3.26Å; G177-C179 PolarHBondContact O-N 3.44Å |
| 180 | S | 97.2 | Very high | 97.1 | Very high | 33 Ų | 33 | 50.6 Ų | 50.6 | 23% | 0.231 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -70.4 | 153.9 | -178.2 | 74.6 | 0 | 0 | 0 | 0 | 112.1 | L176 G177 I178 W182 F183 T184 | L176-S180 PolarHBondContact O-N 3.19Å; G177-S180 WeakPolarHBondContact O-CB 3.19Å; G177-S180 PolarHBondContact O-N 3.36Å; G177-S180 PolarHBondContact O-OG 2.91Å; I178-S180 VanDerWaalsContact C-N 3.27Å; I178-S180 PolarHBondContact O-N 2.85Å; S180-W182 PolarHBondContact O-N 3.29Å; S180-W182 VanDerWaalsContact O-N 3.17Å; S180-F183 PolarHBondContact O-N 3.47Å; S180-F183 PolarHBondContact OG-N 3.38Å; S180-T184 PolarHBondContact O-N 3.13Å; S180-T184 PolarHBondContact O-OG1 2.87Å; S180-T184 VanDerWaalsContact O-OG1 3.07Å |
| 181 | V | 95.8 | Very high | 96.9 | Very high | 130 Ų | 130 | 53.9 Ų | 53.9 | 79% | 0.788 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -54 | -36.4 | 177.2 | 178 | 0 | 0 | 0 | 0 | 112.3 | G185 | V181-G185 PolarHBondContact O-N 3.26Å |
| 182 | W | 96.7 | Very high | 96.9 | Very high | 70 Ų | 70 | 56.6 Ų | 56.6 | 27% | 0.265 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.2 | -47.9 | 177.2 | 168.6 | 73.6 | 0 | 0 | 0 | 111.6 | A38 F45 P49 S180 T186 | A38-W182 HydrophobicContact CB-CH2 4.38Å; A38-W182 HydrophobicContact CB-CZ2 4.42Å; F45-W182 HydrophobicContact CE1-CB 4.29Å; F45-W182 AromaticContact CE1-CD1 3.54Å; F45-W182 AromaticContact CE1-CD2 3.63Å; F45-W182 HydrophobicContact CE1-CD2 3.63Å; F45-W182 AromaticContact CE1-CE2 3.73Å; F45-W182 HydrophobicContact CE1-CE3 4.35Å; F45-W182 AromaticContact CE1-CG 3.53Å; F45-W182 HydrophobicContact CE1-CG 3.53Å; F45-W182 AromaticContact CE1-NE1 3.65Å; F45-W182 HydrophobicContact CZ-CB 3.89Å; F45-W182 AromaticContact CZ-CD2 3.83Å; F45-W182 HydrophobicContact CZ-CD2 3.83Å; F45-W182 HydrophobicContact CZ-CE3 4.29Å; F45-W182 AromaticContact CZ-CG 3.61Å; F45-W182 HydrophobicContact CZ-CG 3.61Å; P49-W182 HydrophobicContact CB-CH2 3.93Å; P49-W182 HydrophobicContact CB-CZ3 3.79Å; P49-W182 HydrophobicContact CG-CH2 3.87Å; P49-W182 HydrophobicContact CG-CZ2 4.33Å; P49-W182 HydrophobicContact CG-CZ3 4.06Å; S180-W182 PolarHBondContact O-N 3.29Å; S180-W182 VanDerWaalsContact O-N 3.17Å; W182-T186 WeakPolarHBondContact O-CB 3.36Å; W182-T186 PolarHBondContact O-N 2.83Å; W182-T186 PolarHBondContact O-OG1 3.48Å |
| 183 | F | 97.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.009 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.9 | -45.4 | -176.1 | -168.4 | -87.2 | 0 | 0 | 0 | 111.4 | I34 L37 I178 S180 G185 T186 V187 W192 A195 | I34-F183 HydrophobicContact CD1-CD2 4.16Å; I34-F183 HydrophobicContact CD1-CE2 3.52Å; I34-F183 HydrophobicContact CD1-CZ 4.46Å; L37-F183 HydrophobicContact CD1-CE2 3.9Å; L37-F183 HydrophobicContact CD1-CZ 4.44Å; I178-F183 HydrophobicContact CB-CD1 4.21Å; I178-F183 HydrophobicContact CB-CE1 4.35Å; I178-F183 HydrophobicContact CG1-CE1 4.45Å; I178-F183 HydrophobicContact CG1-CZ 4.47Å; I178-F183 HydrophobicContact CG2-CD1 3.76Å; I178-F183 HydrophobicContact CG2-CE1 3.66Å; I178-F183 HydrophobicContact CG2-CZ 4.41Å; I178-F183 WeakPolarHBondContact O-CB 3.42Å; I178-F183 WeakPolarHBondContact O-CD1 3.24Å; S180-F183 PolarHBondContact O-N 3.47Å; S180-F183 PolarHBondContact OG-N 3.38Å; F183-G185 VanDerWaalsContact C-N 3.28Å; F183-G185 PolarHBondContact O-N 2.96Å; F183-T186 PolarHBondContact O-N 3.45Å; F183-V187 HydrophobicContact CD1-CB 4.18Å; F183-V187 HydrophobicContact CE1-CB 3.72Å; F183-V187 HydrophobicContact CE1-CG1 3.97Å; F183-V187 HydrophobicContact CE1-CG2 4.04Å; F183-V187 HydrophobicContact CE2-CG2 4.05Å; F183-V187 HydrophobicContact CZ-CB 3.98Å; F183-V187 HydrophobicContact CZ-CG1 4.15Å; F183-V187 HydrophobicContact CZ-CG2 3.8Å; F183-V187 PolarHBondContact O-N 2.99Å; F183-W192 AromaticContact CD1-CD1 3.71Å; F183-W192 AromaticContact CD1-NE1 3.95Å; F183-W192 AromaticContact CE1-CD1 3.69Å; F183-W192 HydrophobicContact CE1-CG 4.43Å; F183-A195 HydrophobicContact CE1-CB 4.19Å; F183-A195 HydrophobicContact CZ-CB 3.71Å |
| 184 | T | 97.6 | Very high | 96.6 | Very high | 70 Ų | 70 | 65.2 Ų | 65.2 | 43% | 0.429 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.5 | -26.6 | 178.9 | 57.5 | 0 | 0 | 0 | 0 | 113 | S180 T186 | S180-T184 PolarHBondContact O-N 3.13Å; S180-T184 PolarHBondContact O-OG1 2.87Å; S180-T184 VanDerWaalsContact O-OG1 3.07Å; T184-T186 VanDerWaalsContact C-N 3.33Å |
| 185 | G | 97.2 | Very high | 96.6 | Very high | 68 Ų | 68 | 64.4 Ų | 64.4 | 70% | 0.701 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -75.3 | -18.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | V181 F183 | V181-G185 PolarHBondContact O-N 3.26Å; F183-G185 VanDerWaalsContact C-N 3.28Å; F183-G185 PolarHBondContact O-N 2.96Å |
| 186 | T | 96 | Very high | 96.5 | Very high | 72 Ų | 72 | 62.6 Ų | 62.6 | 44% | 0.442 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -100.7 | -34 | -178.4 | -54.8 | 0 | 0 | 0 | 0 | 112.3 | L37 W182 F183 T184 | L37-T186 HydrophobicContact CD2-CG2 4.05Å; W182-T186 WeakPolarHBondContact O-CB 3.36Å; W182-T186 PolarHBondContact O-N 2.83Å; W182-T186 PolarHBondContact O-OG1 3.48Å; F183-T186 PolarHBondContact O-N 3.45Å; T184-T186 VanDerWaalsContact C-N 3.33Å |
| 187 | V | 96.4 | Very high | 96.4 | Very high | 10 Ų | 10 | 64.1 Ų | 64.1 | 6% | 0.061 | 38% | 0.375 | C | S | . | . | trans | -128.6 | 121.3 | -171.7 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | L37 F183 T191 W192 | L37-V187 HydrophobicContact CD1-CG2 3.47Å; L37-V187 VanDerWaalsContact CD1-CG2 3.47Å; L37-V187 HydrophobicContact CD2-CG2 4.14Å; L37-V187 HydrophobicContact CG-CG2 4.45Å; F183-V187 HydrophobicContact CD1-CB 4.18Å; F183-V187 HydrophobicContact CE1-CB 3.72Å; F183-V187 HydrophobicContact CE1-CG1 3.97Å; F183-V187 HydrophobicContact CE1-CG2 4.04Å; F183-V187 HydrophobicContact CE2-CG2 4.05Å; F183-V187 HydrophobicContact CZ-CB 3.98Å; F183-V187 HydrophobicContact CZ-CG1 4.15Å; F183-V187 HydrophobicContact CZ-CG2 3.8Å; F183-V187 PolarHBondContact O-N 2.99Å; V187-T191 HydrophobicContact CG1-CG2 3.56Å; V187-W192 HydrophobicContact CG1-CB 4.31Å | ||
| 188 | G | 93.1 | Very high | 96.4 | Very high | 53 Ų | 53 | 64 Ų | 64 | 55% | 0.546 | 37% | 0.371 | S | S | . | . | trans | -121 | 176.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 189 | G | 93.4 | Very high | 96.3 | Very high | 53 Ų | 53 | 64 Ų | 64 | 55% | 0.546 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | 59.3 | -142.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | T191 W192 Y193 | G189-T191 VanDerWaalsContact C-N 3.27Å; G189-T191 PolarHBondContact O-N 3.16Å; G189-W192 PolarHBondContact O-N 3.25Å; G189-Y193 WeakPolarHBondContact O-CD2 3.47Å |
| 190 | Y | 94.8 | Very high | 96.3 | Very high | 201 Ų | 201 | 62 Ų | 62 | 79% | 0.788 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.1 | -31.1 | -175.9 | -60.4 | -62.1 | 0 | 0 | 0 | 113.9 | W192 Y193 L194 | Y190-W192 PolarHBondContact O-N 3.37Å; Y190-Y193 PolarHBondContact O-N 3Å; Y190-Y193 VanDerWaalsContact O-N 3.17Å; Y190-L194 WeakPolarHBondContact O-CG 3.38Å; Y190-L194 PolarHBondContact O-N 3.16Å |
| 191 | T | 93.9 | Very high | 96.3 | Very high | 70 Ų | 70 | 63.7 Ų | 63.7 | 43% | 0.429 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.4 | -34 | -179.4 | -52 | 0 | 0 | 0 | 0 | 111.8 | V187 G189 L194 A195 | V187-T191 HydrophobicContact CG1-CG2 3.56Å; G189-T191 VanDerWaalsContact C-N 3.27Å; G189-T191 PolarHBondContact O-N 3.16Å; T191-L194 PolarHBondContact O-N 2.83Å; T191-A195 WeakPolarHBondContact O-CB 3.47Å; T191-A195 PolarHBondContact O-N 3.39Å |
| 192 | W | 97.2 | Very high | 96.4 | Very high | 63 Ų | 63 | 57.5 Ų | 57.5 | 24% | 0.239 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63 | -47.5 | 175.6 | -174.4 | 95.4 | 0 | 0 | 0 | 111.3 | I178 F183 V187 G189 Y190 L194 A195 A196 | I178-W192 HydrophobicContact CG2-CD2 4.28Å; I178-W192 HydrophobicContact CG2-CG 4.5Å; I178-W192 HydrophobicContact CG2-CZ2 3.87Å; I178-W192 PolarHBondContact O-NE1 3.32Å; F183-W192 AromaticContact CD1-CD1 3.71Å; F183-W192 AromaticContact CD1-NE1 3.95Å; F183-W192 AromaticContact CE1-CD1 3.69Å; F183-W192 HydrophobicContact CE1-CG 4.43Å; V187-W192 HydrophobicContact CG1-CB 4.31Å; G189-W192 PolarHBondContact O-N 3.25Å; Y190-W192 PolarHBondContact O-N 3.37Å; W192-L194 PolarHBondContact O-N 3.28Å; W192-A195 WeakPolarHBondContact O-CB 3.44Å; W192-A195 PolarHBondContact O-N 3.46Å; W192-A196 HydrophobicContact CE3-CB 4.47Å; W192-A196 HydrophobicContact CH2-CB 4.32Å; W192-A196 HydrophobicContact CZ3-CB 4.15Å; W192-A196 PolarHBondContact O-N 3.32Å |
| 193 | Y | 96.8 | Very high | 96.4 | Very high | 152 Ų | 152 | 55 Ų | 55 | 60% | 0.596 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64.4 | -42 | 178.7 | -65.2 | -76.6 | 0 | 0 | 0 | 111.7 | G189 Y190 A195 A196 L197 | G189-Y193 WeakPolarHBondContact O-CD2 3.47Å; Y190-Y193 PolarHBondContact O-N 3Å; Y190-Y193 VanDerWaalsContact O-N 3.17Å; Y193-A195 VanDerWaalsContact C-N 3.33Å; Y193-A195 PolarHBondContact O-N 3.42Å; Y193-A196 PolarHBondContact O-N 2.86Å; Y193-L197 WeakPolarHBondContact O-CB 3.41Å; Y193-L197 VanDerWaalsContact O-CG 3.28Å; Y193-L197 WeakPolarHBondContact O-CG 2.98Å; Y193-L197 PolarHBondContact O-N 2.92Å |
| 194 | L | 95.8 | Very high | 96.3 | Very high | 110 Ų | 110 | 59.7 Ų | 59.7 | 58% | 0.576 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.3 | -41.7 | 175.6 | -67.9 | 174.7 | 0 | 0 | 0 | 111.7 | Y190 T191 W192 L197 C198 | Y190-L194 WeakPolarHBondContact O-CG 3.38Å; Y190-L194 PolarHBondContact O-N 3.16Å; T191-L194 PolarHBondContact O-N 2.83Å; W192-L194 PolarHBondContact O-N 3.28Å; L194-L197 PolarHBondContact O-N 2.91Å; L194-C198 PolarHBondContact O-N 3.04Å; L194-C198 PolarHBondContact O-SG 3.42Å |
| 195 | A | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F30 L33 I178 F183 T191 W192 Y193 C198 P199 | F30-A195 HydrophobicContact CE2-CB 4.21Å; F30-A195 WeakPolarHBondContact CE2-O 3.35Å; L33-A195 HydrophobicContact CD2-CB 3.95Å; I178-A195 HydrophobicContact CD1-CB 4.46Å; F183-A195 HydrophobicContact CE1-CB 4.19Å; F183-A195 HydrophobicContact CZ-CB 3.71Å; T191-A195 WeakPolarHBondContact O-CB 3.47Å; T191-A195 PolarHBondContact O-N 3.39Å; W192-A195 WeakPolarHBondContact O-CB 3.44Å; W192-A195 PolarHBondContact O-N 3.46Å; Y193-A195 VanDerWaalsContact C-N 3.33Å; Y193-A195 PolarHBondContact O-N 3.42Å; A195-C198 PolarHBondContact O-N 3.02Å; A195-P199 WeakPolarHBondContact O-CD 3.45Å |
| 196 | A | 97.3 | Very high | 95.9 | Very high | 15 Ų | 15 | 54.4 Ų | 54.4 | 12% | 0.124 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.1 | -34.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L175 I178 W192 Y193 C198 P199 A200 | L175-A196 HydrophobicContact CD2-CB 4.12Å; L175-A196 WeakPolarHBondContact CD2-O 3.35Å; I178-A196 HydrophobicContact CG2-CB 4.33Å; W192-A196 HydrophobicContact CE3-CB 4.47Å; W192-A196 HydrophobicContact CH2-CB 4.32Å; W192-A196 HydrophobicContact CZ3-CB 4.15Å; W192-A196 PolarHBondContact O-N 3.32Å; Y193-A196 PolarHBondContact O-N 2.86Å; A196-C198 VanDerWaalsContact C-N 3.27Å; A196-C198 PolarHBondContact O-N 3.11Å; A196-P199 WeakPolarHBondContact O-CD 3.21Å; A196-A200 WeakPolarHBondContact O-CB 3.32Å; A196-A200 PolarHBondContact O-N 3.19Å |
| 197 | L | 97.2 | Very high | 95.8 | Very high | 84 Ų | 84 | 54.6 Ų | 54.6 | 44% | 0.44 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.7 | -29.3 | 177.1 | -76.5 | 171.3 | 0 | 0 | 0 | 112.7 | Y193 L194 A200 L201 | Y193-L197 WeakPolarHBondContact O-CB 3.41Å; Y193-L197 VanDerWaalsContact O-CG 3.28Å; Y193-L197 WeakPolarHBondContact O-CG 2.98Å; Y193-L197 PolarHBondContact O-N 2.92Å; L194-L197 PolarHBondContact O-N 2.91Å; L197-A200 PolarHBondContact O-N 2.88Å; L197-L201 HydrophobicContact CB-CD1 4.37Å; L197-L201 VanDerWaalsContact O-CB 3.31Å; L197-L201 WeakPolarHBondContact O-CB 3.47Å; L197-L201 VanDerWaalsContact O-CG 3.28Å; L197-L201 WeakPolarHBondContact O-CG 3.43Å; L197-L201 PolarHBondContact O-N 2.98Å |
| 198 | C | 97.6 | Very high | 95.5 | Very high | 12 Ų | 12 | 57.1 Ų | 57.1 | 8% | 0.081 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.9 | -59.3 | -178.5 | -65.1 | 0 | 0 | 0 | 0 | 113.3 | F30 L194 A195 A196 A200 S202 | F30-C198 HydrophobicContact CB-CB 3.74Å; F30-C198 HydrophobicContact CD2-CB 3.76Å; F30-C198 HydrophobicContact CG-CB 3.92Å; L194-C198 PolarHBondContact O-N 3.04Å; L194-C198 PolarHBondContact O-SG 3.42Å; A195-C198 PolarHBondContact O-N 3.02Å; A196-C198 VanDerWaalsContact C-N 3.27Å; A196-C198 PolarHBondContact O-N 3.11Å; C198-A200 VanDerWaalsContact C-N 3.34Å; C198-A200 PolarHBondContact O-N 3.19Å; C198-S202 VanDerWaalsContact O-CB 3.31Å; C198-S202 WeakPolarHBondContact O-CB 3.3Å; C198-S202 PolarHBondContact O-N 3.38Å; C198-S202 VanDerWaalsContact O-N 3.14Å; C198-S202 PolarHBondContact O-OG 3.43Å |
| 199 | P | 96.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.013 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.8 | -31.8 | 175.8 | 26.7 | -33.8 | 0 | 0 | 0 | 112.5 | L174 L175 I178 A195 A196 T203 | L174-P199 HydrophobicContact CB-CB 4.42Å; L174-P199 HydrophobicContact CD1-CB 4.32Å; L175-P199 HydrophobicContact CD2-CG 3.8Å; L175-P199 HydrophobicContact CG-CG 4.14Å; I178-P199 HydrophobicContact CD1-CG 4.2Å; A195-P199 WeakPolarHBondContact O-CD 3.45Å; A196-P199 WeakPolarHBondContact O-CD 3.21Å; P199-T203 VanDerWaalsContact O-CB 3.31Å; P199-T203 WeakPolarHBondContact O-CB 3.32Å; P199-T203 PolarHBondContact O-N 3.07Å; P199-T203 PolarHBondContact O-OG1 2.71Å |
| 200 | A | 97.4 | Very high | 95.1 | Very high | 33 Ų | 33 | 54.1 Ų | 54.1 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.8 | -51.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A196 L197 C198 T203 L204 | A196-A200 WeakPolarHBondContact O-CB 3.32Å; A196-A200 PolarHBondContact O-N 3.19Å; L197-A200 PolarHBondContact O-N 2.88Å; C198-A200 VanDerWaalsContact C-N 3.34Å; C198-A200 PolarHBondContact O-N 3.19Å; A200-T203 WeakPolarHBondContact O-CB 3.31Å; A200-T203 PolarHBondContact O-N 3.13Å; A200-L204 WeakPolarHBondContact O-CG 3.45Å; A200-L204 PolarHBondContact O-N 3.4Å; A200-L204 VanDerWaalsContact O-N 3.13Å |
| 201 | L | 97.1 | Very high | 94.7 | Very high | 67 Ų | 67 | 46.9 Ų | 46.9 | 35% | 0.351 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 178.4 | -67.5 | 176.9 | 0 | 0 | 0 | 111.5 | L26 L197 T203 L204 V205 | L26-L201 HydrophobicContact CD1-CB 3.75Å; L26-L201 HydrophobicContact CD1-CD1 4.16Å; L197-L201 HydrophobicContact CB-CD1 4.37Å; L197-L201 VanDerWaalsContact O-CB 3.31Å; L197-L201 WeakPolarHBondContact O-CB 3.47Å; L197-L201 VanDerWaalsContact O-CG 3.28Å; L197-L201 WeakPolarHBondContact O-CG 3.43Å; L197-L201 PolarHBondContact O-N 2.98Å; L201-T203 VanDerWaalsContact C-N 3.28Å; L201-T203 PolarHBondContact O-N 3.42Å; L201-L204 PolarHBondContact O-N 3.17Å; L201-V205 WeakPolarHBondContact O-CG2 3.3Å; L201-V205 PolarHBondContact O-N 3.26Å |
| 202 | S | 96.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57 | -43.5 | 175 | -59.9 | 0 | 0 | 0 | 0 | 111.4 | C198 L204 V205 I206 | C198-S202 VanDerWaalsContact O-CB 3.31Å; C198-S202 WeakPolarHBondContact O-CB 3.3Å; C198-S202 PolarHBondContact O-N 3.38Å; C198-S202 VanDerWaalsContact O-N 3.14Å; C198-S202 PolarHBondContact O-OG 3.43Å; S202-L204 PolarHBondContact O-N 3.35Å; S202-V205 PolarHBondContact O-N 3.4Å; S202-I206 WeakPolarHBondContact O-CB 3.44Å; S202-I206 VanDerWaalsContact O-CG1 3.27Å; S202-I206 WeakPolarHBondContact O-CG1 3.38Å; S202-I206 PolarHBondContact O-N 2.95Å |
| 203 | T | 96.4 | Very high | 93.2 | Very high | 16 Ų | 16 | 47.6 Ų | 47.6 | 10% | 0.098 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 175.5 | -62 | 0 | 0 | 0 | 0 | 112.8 | L168 S171 P199 A200 L201 V205 I206 M207 | L168-T203 HydrophobicContact CD2-CG2 3.31Å; L168-T203 HydrophobicContact CG-CG2 4.47Å; S171-T203 WeakPolarHBondContact CB-OG1 3.42Å; S171-T203 PolarHBondContact OG-OG1 2.94Å; P199-T203 VanDerWaalsContact O-CB 3.31Å; P199-T203 WeakPolarHBondContact O-CB 3.32Å; P199-T203 PolarHBondContact O-N 3.07Å; P199-T203 PolarHBondContact O-OG1 2.71Å; A200-T203 WeakPolarHBondContact O-CB 3.31Å; A200-T203 PolarHBondContact O-N 3.13Å; L201-T203 VanDerWaalsContact C-N 3.28Å; L201-T203 PolarHBondContact O-N 3.42Å; T203-V205 VanDerWaalsContact C-N 3.32Å; T203-V205 PolarHBondContact O-N 2.95Å; T203-I206 PolarHBondContact O-N 2.95Å; T203-M207 WeakPolarHBondContact O-CB 3.22Å; T203-M207 PolarHBondContact O-N 3.31Å |
| 204 | L | 95.5 | Very high | 91.9 | Very high | 101 Ų | 101 | 44 Ų | 44 | 53% | 0.529 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62 | -42 | 179.5 | -67.3 | 175.7 | 0 | 0 | 0 | 111.6 | A200 L201 S202 M207 S208 | A200-L204 WeakPolarHBondContact O-CG 3.45Å; A200-L204 PolarHBondContact O-N 3.4Å; A200-L204 VanDerWaalsContact O-N 3.13Å; L201-L204 PolarHBondContact O-N 3.17Å; S202-L204 PolarHBondContact O-N 3.35Å; L204-M207 HydrophobicContact CD2-CE 4.15Å; L204-S208 VanDerWaalsContact O-CB 3.3Å; L204-S208 WeakPolarHBondContact O-CB 3.21Å; L204-S208 PolarHBondContact O-N 3.12Å |
| 205 | V | 93.9 | Very high | 90.1 | Very high | 26 Ų | 26 | 44.3 Ų | 44.3 | 16% | 0.158 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.2 | -46.9 | 177.7 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | C19 T23 L201 S202 T203 M207 S208 Q209 | C19-V205 HydrophobicContact CB-CG1 4.06Å; C19-V205 HydrophobicContact CB-CG2 3.89Å; T23-V205 VanDerWaalsContact OG1-CB 3.27Å; T23-V205 WeakPolarHBondContact OG1-CB 3.5Å; T23-V205 VanDerWaalsContact OG1-CG1 3.27Å; T23-V205 WeakPolarHBondContact OG1-CG1 3.11Å; L201-V205 WeakPolarHBondContact O-CG2 3.3Å; L201-V205 PolarHBondContact O-N 3.26Å; S202-V205 PolarHBondContact O-N 3.4Å; T203-V205 VanDerWaalsContact C-N 3.32Å; T203-V205 PolarHBondContact O-N 2.95Å; V205-M207 PolarHBondContact O-N 2.87Å; V205-S208 PolarHBondContact O-N 3.25Å; V205-Q209 WeakPolarHBondContact O-CB 3.39Å; V205-Q209 PolarHBondContact O-N 3.49Å |
| 206 | I | 94.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 178.4 | -68.1 | -66.5 | 0 | 0 | 0 | 111.2 | T61 V64 L65 L164 Y167 S202 T203 S208 Q209 V210 | T61-I206 HydrophobicContact CG2-CD1 4.44Å; V64-I206 HydrophobicContact CB-CD1 4.15Å; V64-I206 HydrophobicContact CG1-CD1 3.81Å; V64-I206 HydrophobicContact CG1-CG2 4.03Å; L65-I206 HydrophobicContact CD2-CD1 3.58Å; L65-I206 HydrophobicContact CG-CD1 3.89Å; L164-I206 HydrophobicContact CD1-CG2 4.22Å; Y167-I206 HydrophobicContact CD1-CB 4.28Å; Y167-I206 HydrophobicContact CD1-CG2 3.97Å; Y167-I206 HydrophobicContact CD2-CG2 4.38Å; Y167-I206 HydrophobicContact CE1-CB 4.05Å; Y167-I206 HydrophobicContact CE1-CG1 4.01Å; Y167-I206 HydrophobicContact CE1-CG2 4.21Å; Y167-I206 HydrophobicContact CE2-CG1 4.25Å; Y167-I206 HydrophobicContact CG-CG2 4.08Å; S202-I206 WeakPolarHBondContact O-CB 3.44Å; S202-I206 VanDerWaalsContact O-CG1 3.27Å; S202-I206 WeakPolarHBondContact O-CG1 3.38Å; S202-I206 PolarHBondContact O-N 2.95Å; T203-I206 PolarHBondContact O-N 2.95Å; I206-S208 PolarHBondContact O-N 2.7Å; I206-Q209 PolarHBondContact O-N 3.16Å; I206-V210 HydrophobicContact CG2-CG2 4.31Å; I206-V210 WeakPolarHBondContact O-CG2 3.24Å; I206-V210 PolarHBondContact O-N 3.3Å |
| 207 | M | 93.3 | Very high | 86 | Confident | 77 Ų | 77 | 52 Ų | 52 | 38% | 0.379 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.2 | -47 | 176.5 | -175.9 | 179.3 | 68.3 | 0 | 0 | 111.3 | L164 T203 L204 V205 S211 | L164-M207 HydrophobicContact CD1-CB 4.1Å; L164-M207 HydrophobicContact CD1-CG 4.42Å; L164-M207 HydrophobicContact CD2-CG 4.24Å; T203-M207 WeakPolarHBondContact O-CB 3.22Å; T203-M207 PolarHBondContact O-N 3.31Å; L204-M207 HydrophobicContact CD2-CE 4.15Å; V205-M207 PolarHBondContact O-N 2.87Å; M207-S211 WeakPolarHBondContact O-CB 3.24Å; M207-S211 PolarHBondContact O-N 3.05Å; M207-S211 PolarHBondContact O-OG 3.18Å |
| 208 | S | 90.8 | Very high | 83.7 | Confident | 62 Ų | 62 | 55.5 Ų | 55.5 | 43% | 0.434 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.6 | -47.4 | 175.8 | -179.7 | 0 | 0 | 0 | 0 | 111.7 | L204 V205 I206 S211 N212 | L204-S208 VanDerWaalsContact O-CB 3.3Å; L204-S208 WeakPolarHBondContact O-CB 3.21Å; L204-S208 PolarHBondContact O-N 3.12Å; V205-S208 PolarHBondContact O-N 3.25Å; I206-S208 PolarHBondContact O-N 2.7Å; S208-S211 PolarHBondContact O-N 3.34Å; S208-N212 VanDerWaalsContact O-CB 3.24Å; S208-N212 WeakPolarHBondContact O-CB 3.44Å; S208-N212 PolarHBondContact O-N 3.31Å; S208-N212 PolarHBondContact O-ND2 3.21Å; S208-N212 PolarHBondContact OG-ND2 3.14Å; S208-N212 VanDerWaalsContact OG-ND2 3.13Å |
| 209 | Q | 88.8 | Confident | 81.2 | Confident | 26 Ų | 26 | 65 Ų | 65 | 12% | 0.121 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.6 | -51.6 | 179.6 | -179.9 | -175.1 | -66.5 | 0 | 0 | 112 | V64 L65 S68 V205 I206 T213 | V64-Q209 PolarHBondContact O-NE2 3.36Å; L65-Q209 VanDerWaalsContact CD2-OE1 3.31Å; S68-Q209 PolarHBondContact OG-OE1 3.06Å; V205-Q209 WeakPolarHBondContact O-CB 3.39Å; V205-Q209 PolarHBondContact O-N 3.49Å; I206-Q209 PolarHBondContact O-N 3.16Å; Q209-T213 WeakPolarHBondContact O-CB 3.38Å; Q209-T213 PolarHBondContact O-N 2.57Å; Q209-T213 VanDerWaalsContact O-N 3.12Å; Q209-T213 PolarHBondContact O-OG1 3.4Å |
| 210 | V | 88.1 | Confident | 78.7 | Confident | 18 Ų | 18 | 72.2 Ų | 72.2 | 11% | 0.109 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.1 | -48.9 | -178.3 | 175.2 | 0 | 0 | 0 | 0 | 109.5 | V64 A160 L164 I206 N212 T213 Y214 | V64-V210 HydrophobicContact CG1-CG2 4.3Å; A160-V210 HydrophobicContact CB-CG1 4.43Å; L164-V210 HydrophobicContact CB-CG1 4.24Å; L164-V210 HydrophobicContact CD2-CB 4.34Å; L164-V210 HydrophobicContact CD2-CG1 4.2Å; I206-V210 HydrophobicContact CG2-CG2 4.31Å; I206-V210 WeakPolarHBondContact O-CG2 3.24Å; I206-V210 PolarHBondContact O-N 3.3Å; V210-N212 PolarHBondContact O-N 2.86Å; V210-T213 PolarHBondContact O-N 3.23Å; V210-Y214 HydrophobicContact CG1-CD2 4.09Å; V210-Y214 HydrophobicContact CG1-CE2 4.18Å; V210-Y214 VanDerWaalsContact O-CD2 3.24Å; V210-Y214 WeakPolarHBondContact O-CD2 3.5Å; V210-Y214 PolarHBondContact O-N 2.98Å |
| 211 | S | 86.6 | Confident | 76.2 | Confident | 49 Ų | 49 | 76.4 Ų | 76.4 | 34% | 0.343 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.2 | -47 | -177.7 | -55.8 | 0 | 0 | 0 | 0 | 112 | M207 S208 T213 Y214 M215 | M207-S211 WeakPolarHBondContact O-CB 3.24Å; M207-S211 PolarHBondContact O-N 3.05Å; M207-S211 PolarHBondContact O-OG 3.18Å; S208-S211 PolarHBondContact O-N 3.34Å; S211-T213 VanDerWaalsContact C-N 3.34Å; S211-T213 PolarHBondContact O-N 3.44Å; S211-Y214 PolarHBondContact O-N 3.24Å; S211-M215 WeakPolarHBondContact O-CB 3.43Å; S211-M215 VanDerWaalsContact O-CG 3.22Å; S211-M215 WeakPolarHBondContact O-CG 3.49Å; S211-M215 PolarHBondContact O-N 2.98Å |
| 212 | N | 81.9 | Confident | 73.5 | Confident | 80 Ų | 80 | 80.3 Ų | 80.3 | 43% | 0.428 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.1 | -36.3 | -179.5 | -72.5 | -36.8 | 0 | 0 | 0 | 112.6 | S208 V210 Y214 A216 | S208-N212 VanDerWaalsContact O-CB 3.24Å; S208-N212 WeakPolarHBondContact O-CB 3.44Å; S208-N212 PolarHBondContact O-N 3.31Å; S208-N212 PolarHBondContact O-ND2 3.21Å; S208-N212 PolarHBondContact OG-ND2 3.14Å; S208-N212 VanDerWaalsContact OG-ND2 3.13Å; V210-N212 PolarHBondContact O-N 2.86Å; N212-Y214 VanDerWaalsContact C-N 3.29Å; N212-Y214 PolarHBondContact O-N 2.92Å; N212-A216 WeakPolarHBondContact O-CB 3.42Å; N212-A216 PolarHBondContact O-N 3.13Å |
| 213 | T | 78 | Confident | 72.4 | Confident | 68 Ų | 68 | 84.3 Ų | 84.3 | 42% | 0.417 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.8 | -36.2 | 177.7 | -56.7 | 0 | 0 | 0 | 0 | 112 | Q209 V210 S211 | Q209-T213 WeakPolarHBondContact O-CB 3.38Å; Q209-T213 PolarHBondContact O-N 2.57Å; Q209-T213 VanDerWaalsContact O-N 3.12Å; Q209-T213 PolarHBondContact O-OG1 3.4Å; V210-T213 PolarHBondContact O-N 3.23Å; S211-T213 VanDerWaalsContact C-N 3.34Å; S211-T213 PolarHBondContact O-N 3.44Å |
| 214 | Y | 68.3 | Low | 71.1 | Confident | 76 Ų | 76 | 87.9 Ų | 87.9 | 30% | 0.298 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -91.3 | -29.7 | -179.3 | -71.1 | -78.2 | 0 | 0 | 0 | 113.7 | K156 R157 A160 V210 S211 N212 | K156-Y214 PolarHBondContact O-OH 2.99Å; R157-Y214 HydrophobicContact CB-CD1 4.16Å; R157-Y214 HydrophobicContact CB-CE1 3.98Å; R157-Y214 HydrophobicContact CG-CD1 3.83Å; R157-Y214 HydrophobicContact CG-CE1 4.14Å; A160-Y214 HydrophobicContact CB-CD2 4.23Å; A160-Y214 HydrophobicContact CB-CE1 4.38Å; A160-Y214 HydrophobicContact CB-CE2 3.21Å; A160-Y214 WeakPolarHBondContact CB-OH 3.32Å; V210-Y214 HydrophobicContact CG1-CD2 4.09Å; V210-Y214 HydrophobicContact CG1-CE2 4.18Å; V210-Y214 VanDerWaalsContact O-CD2 3.24Å; V210-Y214 WeakPolarHBondContact O-CD2 3.5Å; V210-Y214 PolarHBondContact O-N 2.98Å; S211-Y214 PolarHBondContact O-N 3.24Å; N212-Y214 VanDerWaalsContact C-N 3.29Å; N212-Y214 PolarHBondContact O-N 2.92Å |
| 215 | M | 59.1 | Low | 69.8 | Low | 116 Ų | 116 | 87.2 Ų | 87.2 | 57% | 0.571 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -69.8 | -40.7 | 172.8 | -68.8 | -122.6 | 76.8 | 0 | 0 | 112.1 | S211 K217 K218 | S211-M215 WeakPolarHBondContact O-CB 3.43Å; S211-M215 VanDerWaalsContact O-CG 3.22Å; S211-M215 WeakPolarHBondContact O-CG 3.49Å; S211-M215 PolarHBondContact O-N 2.98Å; M215-K217 PolarHBondContact O-N 3.46Å; M215-K218 WeakPolarHBondContact O-CB 3.18Å; M215-K218 PolarHBondContact O-N 3.37Å |
| 216 | A | 55.8 | Low | 68.3 | Low | 58 Ų | 58 | 90.8 Ų | 90.8 | 48% | 0.479 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.3 | -34.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N212 K218 R219 | N212-A216 WeakPolarHBondContact O-CB 3.42Å; N212-A216 PolarHBondContact O-N 3.13Å; A216-K218 VanDerWaalsContact C-N 3.29Å; A216-K218 PolarHBondContact O-N 3.09Å; A216-R219 PolarHBondContact O-N 3.21Å |
| 217 | K | 52.8 | Low | 66.7 | Low | 120 Ų | 120 | 96.4 Ų | 96.4 | 52% | 0.522 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -73.2 | -18.3 | 178.1 | -150.9 | 173.6 | -173.5 | 179.1 | 0 | 113.7 | M215 V221 | M215-K217 PolarHBondContact O-N 3.46Å; K217-V221 WeakPolarHBondContact O-CG2 3.39Å |
| 218 | K | 48.7 | Very low | 64.9 | Low | 156 Ų | 156 | 97.7 Ų | 97.7 | 68% | 0.678 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -78.4 | -32.4 | 176.1 | -165.7 | 179.4 | 177.1 | -173.4 | 0 | 111.7 | M215 A216 | M215-K218 WeakPolarHBondContact O-CB 3.18Å; M215-K218 PolarHBondContact O-N 3.37Å; A216-K218 VanDerWaalsContact C-N 3.29Å; A216-K218 PolarHBondContact O-N 3.09Å |
| 219 | R | 44.8 | Very low | 63.1 | Low | 212 Ų | 212 | 100.2 Ų | 100.2 | 80% | 0.8 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -74.3 | -24.4 | 177.8 | -75.3 | -175.3 | 177.9 | 179.9 | -1.6 | 114.4 | A216 V221 | A216-R219 PolarHBondContact O-N 3.21Å; R219-V221 VanDerWaalsContact C-N 3.33Å |
| 220 | L | 43.7 | Very low | 61.1 | Low | 153 Ų | 153 | 105.9 Ų | 105.9 | 80% | 0.801 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -3.1 | 179.5 | -64.8 | 171.8 | 0 | 0 | 0 | 113.6 | ||
| 221 | V | 46 | Very low | 58.9 | Low | 122 Ų | 122 | 113.3 Ų | 113.3 | 74% | 0.739 | 59% | 0.593 | S | S | * | * | trans | -122.1 | 0.2 | -175.9 | -172.5 | 0 | 0 | 0 | 0 | 111.3 | K217 R219 | K217-V221 WeakPolarHBondContact O-CG2 3.39Å; R219-V221 VanDerWaalsContact C-N 3.33Å | ||
| 222 | S | 40.9 | Very low | 56.4 | Low | 149 Ų | 149 | 119.1 Ų | 119.1 | 100% | 1.042 | 62% | 0.616 | S | S | * | * | trans | -103.5 | 0 | 169.3 | 65.3 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 222 of 222 residues in 182.3 ms
(Link to these results)