| 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 | 52 | Low | 81.7 | Confident | 210 Ų | 210 | 77.1 Ų | 77.1 | 100% | 1.034 | 37% | 0.37 | S | S | * | . | 0 | 118.3 | 0 | -157.3 | 178.5 | 109.8 | 0 | 0 | 106.9 | Q3 | M1-Q3 PolarHBondContact O-N 3.26Š| |||
| 2 | V | 60.7 | Low | 82.9 | Confident | 22 Ų | 22 | 79.1 Ų | 79.1 | 13% | 0.133 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 117.2 | -179 | -175.9 | 0 | 0 | 0 | 0 | 108.1 | P5 M46 S136 E137 L145 | V2-P5 HydrophobicContact CG1-CG 4.44Å; V2-M46 HydrophobicContact CG1-CE 4.06Å; V2-S136 WeakPolarHBondContact CG2-O 3.21Å; V2-E137 VanDerWaalsContact CG2-C 3.45Å; V2-E137 VanDerWaalsContact CG2-CA 3.43Å; V2-L145 HydrophobicContact CB-CD1 3.78Å; V2-L145 HydrophobicContact CG1-CD1 3.86Å |
| 3 | Q | 69 | Low | 84 | Confident | 173 Ų | 173 | 78.1 Ų | 78.1 | 81% | 0.808 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 150.6 | 167.8 | -72.5 | -174.7 | -14.8 | 0 | 0 | 109.2 | M1 P5 | M1-Q3 PolarHBondContact O-N 3.26Å; Q3-P5 WeakPolarHBondContact O-CD 3.28Å |
| 4 | K | 71.9 | Confident | 84.8 | Confident | 112 Ų | 112 | 72.7 Ų | 72.7 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -46.2 | 117.7 | 177.8 | -174.4 | -174 | -177.9 | -173.2 | 0 | 109.7 | F8 E9 | K4-F8 HydrophobicContact CG-CB 4.43Å; K4-F8 HydrophobicContact CG-CD2 4.04Å; K4-F8 HydrophobicContact CG-CG 4.34Å; K4-E9 WeakPolarHBondContact CE-OE1 3.46Å; K4-E9 IonicContact NZ-OE1 3.06Å; K4-E9 PolarHBondContact NZ-OE1 3.33Å |
| 5 | P | 79.3 | Confident | 85.6 | Confident | 10 Ų | 10 | 69 Ų | 69 | 7% | 0.065 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -66 | 142.9 | -173.6 | -20.7 | 30.8 | 0 | 0 | 0 | 111.8 | V2 Q3 F7 F8 M46 V139 | V2-P5 HydrophobicContact CG1-CG 4.44Å; Q3-P5 WeakPolarHBondContact O-CD 3.28Å; P5-F7 HydrophobicContact CB-CD2 4.22Å; P5-F7 PolarHBondContact O-N 2.95Å; P5-F7 VanDerWaalsContact O-N 3.1Å; P5-F8 HydrophobicContact CB-CD1 4.03Å; P5-F8 HydrophobicContact CB-CE1 4.21Å; P5-F8 HydrophobicContact CG-CD1 4Å; P5-F8 HydrophobicContact CG-CE1 3.7Å; P5-F8 HydrophobicContact CG-CZ 4.33Å; P5-F8 WeakPolarHBondContact O-CB 3.35Å; P5-F8 PolarHBondContact O-N 3.13Å; P5-M46 HydrophobicContact CB-CE 4.03Å; P5-M46 HydrophobicContact CB-SD 3.87Å; P5-M46 HydrophobicContact CG-CE 3.76Å; P5-M46 HydrophobicContact CG-SD 3.94Å; P5-V139 HydrophobicContact CG-CG2 3.48Å; P5-V139 VanDerWaalsContact CG-CG2 3.48Å |
| 6 | I | 89.6 | Confident | 86.2 | Confident | 128 Ų | 128 | 69.9 Ų | 69.9 | 66% | 0.656 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -55 | -30.2 | 174.7 | -167.3 | 167.6 | 0 | 0 | 0 | 112.3 | F8 E9 Q10 | I6-F8 PolarHBondContact O-N 2.88Å; I6-F8 VanDerWaalsContact O-N 3.16Å; I6-E9 PolarHBondContact O-N 3.25Å; I6-E9 VanDerWaalsContact O-N 3.09Å; I6-Q10 PolarHBondContact O-N 2.95Å |
| 7 | F | 92.9 | Very high | 86.7 | Confident | 54 Ų | 54 | 68.5 Ų | 68.5 | 24% | 0.237 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62 | -22 | 178 | -55.2 | -59.5 | 0 | 0 | 0 | 113.6 | P5 Q10 V11 A39 S42 V43 M46 | P5-F7 HydrophobicContact CB-CD2 4.22Å; P5-F7 PolarHBondContact O-N 2.95Å; P5-F7 VanDerWaalsContact O-N 3.1Å; F7-Q10 PolarHBondContact O-N 3.32Å; F7-V11 WeakPolarHBondContact O-CG2 3.35Å; F7-V11 PolarHBondContact O-N 2.96Å; F7-A39 HydrophobicContact CB-CB 4.24Å; F7-A39 HydrophobicContact CD1-CB 4.43Å; F7-S42 VanDerWaalsContact CZ-CB 3.46Å; F7-V43 HydrophobicContact CB-CG2 3.53Å; F7-V43 HydrophobicContact CD2-CG2 4.26Å; F7-V43 HydrophobicContact CG-CG2 4.25Å; F7-M46 HydrophobicContact CD2-SD 3.93Å; F7-M46 HydrophobicContact CE2-SD 4.16Å |
| 8 | F | 95.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.7 | -41.7 | 175.3 | -77.1 | 34.5 | 0 | 0 | 0 | 110.7 | K4 P5 I6 Q10 K12 V43 V139 L145 I148 F149 L152 | K4-F8 HydrophobicContact CG-CB 4.43Å; K4-F8 HydrophobicContact CG-CD2 4.04Å; K4-F8 HydrophobicContact CG-CG 4.34Å; P5-F8 HydrophobicContact CB-CD1 4.03Å; P5-F8 HydrophobicContact CB-CE1 4.21Å; P5-F8 HydrophobicContact CG-CD1 4Å; P5-F8 HydrophobicContact CG-CE1 3.7Å; P5-F8 HydrophobicContact CG-CZ 4.33Å; P5-F8 WeakPolarHBondContact O-CB 3.35Å; P5-F8 PolarHBondContact O-N 3.13Å; I6-F8 PolarHBondContact O-N 2.88Å; I6-F8 VanDerWaalsContact O-N 3.16Å; F8-Q10 VanDerWaalsContact C-N 3.3Å; F8-K12 WeakPolarHBondContact O-CB 3.42Å; F8-K12 PolarHBondContact O-N 3.09Å; F8-V43 HydrophobicContact CD1-CG2 4.28Å; F8-V43 HydrophobicContact CE1-CG1 4.35Å; F8-V43 HydrophobicContact CE1-CG2 4.18Å; F8-V139 HydrophobicContact CE1-CG1 4.02Å; F8-V139 HydrophobicContact CE1-CG2 3.79Å; F8-V139 HydrophobicContact CZ-CG1 3.72Å; F8-V139 HydrophobicContact CZ-CG2 4Å; F8-L145 HydrophobicContact CZ-CB 4.44Å; F8-I148 HydrophobicContact CD2-CG2 3.76Å; F8-I148 HydrophobicContact CE2-CB 3.98Å; F8-I148 HydrophobicContact CE2-CG2 3.64Å; F8-F149 AromaticContact CD1-CD2 3.91Å; F8-F149 HydrophobicContact CD1-CD2 3.91Å; F8-F149 HydrophobicContact CE1-CB 4.05Å; F8-F149 AromaticContact CE1-CD2 3.6Å; F8-F149 HydrophobicContact CE1-CD2 3.6Å; F8-F149 HydrophobicContact CE1-CE2 4.42Å; F8-F149 HydrophobicContact CE1-CG 4.08Å; F8-F149 HydrophobicContact CE2-CB 4.09Å; F8-F149 HydrophobicContact CZ-CB 3.6Å; F8-F149 HydrophobicContact CZ-CD2 4.02Å; F8-F149 HydrophobicContact CZ-CG 4.15Å; F8-L152 HydrophobicContact CB-CD1 3.98Å; F8-L152 HydrophobicContact CD2-CD1 3.99Å; F8-L152 HydrophobicContact CG-CD1 4.07Å |
| 9 | E | 94.7 | Very high | 87.4 | Confident | 86 Ų | 86 | 68.1 Ų | 68.1 | 40% | 0.402 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.2 | -33.1 | 175.5 | -62.6 | -54.5 | 143.5 | 0 | 0 | 111 | K4 I6 K12 S13 | K4-E9 WeakPolarHBondContact CE-OE1 3.46Å; K4-E9 IonicContact NZ-OE1 3.06Å; K4-E9 PolarHBondContact NZ-OE1 3.33Å; I6-E9 PolarHBondContact O-N 3.25Å; I6-E9 VanDerWaalsContact O-N 3.09Å; E9-K12 PolarHBondContact O-N 3.35Å; E9-S13 VanDerWaalsContact O-CB 3.3Å; E9-S13 WeakPolarHBondContact O-CB 3.33Å; E9-S13 PolarHBondContact O-N 3.32Å |
| 10 | Q | 95.9 | Very high | 87.7 | Confident | 53 Ų | 53 | 72.9 Ų | 72.9 | 25% | 0.248 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64 | -49.4 | 173.9 | -169.9 | 171.1 | -24.5 | 0 | 0 | 111.8 | I6 F7 F8 K12 S13 C14 S35 A39 | I6-Q10 PolarHBondContact O-N 2.95Å; F7-Q10 PolarHBondContact O-N 3.32Å; F8-Q10 VanDerWaalsContact C-N 3.3Å; Q10-K12 VanDerWaalsContact C-N 3.33Å; Q10-K12 PolarHBondContact O-N 3.1Å; Q10-S13 WeakPolarHBondContact O-CB 3.07Å; Q10-S13 PolarHBondContact O-N 2.76Å; Q10-S13 VanDerWaalsContact O-N 3.17Å; Q10-C14 PolarHBondContact O-N 3.14Å; Q10-C14 PolarHBondContact O-SG 3.17Å; Q10-C14 VanDerWaalsContact O-SG 3.35Å; Q10-S35 WeakPolarHBondContact CG-OG 3.13Å; Q10-S35 PolarHBondContact NE2-O 3.17Å; Q10-S35 PolarHBondContact NE2-OG 3.42Å; Q10-A39 HydrophobicContact CB-CB 3.99Å; Q10-A39 HydrophobicContact CG-CB 3.83Å |
| 11 | V | 97.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.3 | -46.3 | 174.4 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | F7 S13 C14 I15 L36 A39 V40 F149 L152 V156 | F7-V11 WeakPolarHBondContact O-CG2 3.35Å; F7-V11 PolarHBondContact O-N 2.96Å; V11-S13 VanDerWaalsContact C-N 3.31Å; V11-S13 PolarHBondContact O-N 2.62Å; V11-C14 WeakPolarHBondContact O-CB 3.48Å; V11-C14 PolarHBondContact O-N 3.29Å; V11-I15 HydrophobicContact CG1-CD1 4.08Å; V11-I15 WeakPolarHBondContact O-CG1 3.46Å; V11-I15 PolarHBondContact O-N 2.63Å; V11-L36 HydrophobicContact CB-CD1 4.45Å; V11-L36 HydrophobicContact CG1-CD1 4.06Å; V11-L36 HydrophobicContact CG2-CD1 4.25Å; V11-A39 HydrophobicContact CG2-CB 3.74Å; V11-V40 HydrophobicContact CG2-CG2 4.22Å; V11-F149 HydrophobicContact CG2-CE2 4.29Å; V11-L152 HydrophobicContact CG1-CB 4.2Å; V11-V156 HydrophobicContact CG1-CG2 3.79Å |
| 12 | K | 96.5 | Very high | 89.1 | Confident | 101 Ų | 101 | 68.7 Ų | 68.7 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 176.6 | -175.3 | -178.2 | 175.6 | -171.9 | 0 | 112 | F8 E9 Q10 C14 I15 L16 L152 | F8-K12 WeakPolarHBondContact O-CB 3.42Å; F8-K12 PolarHBondContact O-N 3.09Å; E9-K12 PolarHBondContact O-N 3.35Å; Q10-K12 VanDerWaalsContact C-N 3.33Å; Q10-K12 PolarHBondContact O-N 3.1Å; K12-C14 VanDerWaalsContact C-N 3.35Å; K12-I15 PolarHBondContact O-N 3.23Å; K12-L16 HydrophobicContact CG-CD1 4.39Å; K12-L16 WeakPolarHBondContact O-CG 3.43Å; K12-L16 PolarHBondContact O-N 3.07Å; K12-L152 HydrophobicContact CB-CD2 4.4Å |
| 13 | S | 96.4 | Very high | 90.2 | Very high | 66 Ų | 66 | 71.2 Ų | 71.2 | 46% | 0.462 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 176.9 | -170.8 | 0 | 0 | 0 | 0 | 111.4 | E9 Q10 V11 L16 S17 | E9-S13 VanDerWaalsContact O-CB 3.3Å; E9-S13 WeakPolarHBondContact O-CB 3.33Å; E9-S13 PolarHBondContact O-N 3.32Å; Q10-S13 WeakPolarHBondContact O-CB 3.07Å; Q10-S13 PolarHBondContact O-N 2.76Å; Q10-S13 VanDerWaalsContact O-N 3.17Å; V11-S13 VanDerWaalsContact C-N 3.31Å; V11-S13 PolarHBondContact O-N 2.62Å; S13-L16 PolarHBondContact O-N 3.31Å; S13-S17 PolarHBondContact O-N 3.01Å; S13-S17 PolarHBondContact O-OG 3.19Å; S13-S17 VanDerWaalsContact O-OG 3.06Å |
| 14 | C | 96.2 | Very high | 91.2 | Very high | 3 Ų | 3 | 71.9 Ų | 71.9 | 2% | 0.02 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 176.4 | -67.6 | 0 | 0 | 0 | 0 | 112.3 | Q10 V11 K12 L16 S17 F18 F32 L36 | Q10-C14 PolarHBondContact O-N 3.14Å; Q10-C14 PolarHBondContact O-SG 3.17Å; Q10-C14 VanDerWaalsContact O-SG 3.35Å; V11-C14 WeakPolarHBondContact O-CB 3.48Å; V11-C14 PolarHBondContact O-N 3.29Å; K12-C14 VanDerWaalsContact C-N 3.35Å; C14-L16 VanDerWaalsContact C-N 3.32Å; C14-L16 PolarHBondContact O-N 3.29Å; C14-S17 WeakPolarHBondContact O-CB 3.09Å; C14-S17 PolarHBondContact O-N 3.11Å; C14-F18 PolarHBondContact O-N 3.45Å; C14-F32 HydrophobicContact CB-CD2 3.78Å; C14-F32 HydrophobicContact CB-CE2 4.47Å; C14-F32 HydrophobicContact CB-CG 4.41Å; C14-L36 HydrophobicContact CB-CB 3.95Å; C14-L36 HydrophobicContact CB-CD1 4.09Å; C14-L36 HydrophobicContact CB-CG 4.49Å |
| 15 | I | 95.7 | Very high | 92.3 | Very high | 17 Ų | 17 | 68.3 Ų | 68.3 | 9% | 0.087 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.9 | -45.4 | 174.7 | -63.9 | 162.9 | 0 | 0 | 0 | 110.5 | V11 K12 S17 F18 H19 E155 V156 I159 | V11-I15 HydrophobicContact CG1-CD1 4.08Å; V11-I15 WeakPolarHBondContact O-CG1 3.46Å; V11-I15 PolarHBondContact O-N 2.63Å; K12-I15 PolarHBondContact O-N 3.23Å; I15-S17 VanDerWaalsContact C-N 3.35Å; I15-S17 PolarHBondContact O-N 2.85Å; I15-F18 WeakPolarHBondContact O-CB 3.29Å; I15-F18 PolarHBondContact O-N 3.44Å; I15-H19 PolarHBondContact O-CD2 3.04Å; I15-H19 PolarHBondContact O-N 3.26Å; I15-E155 HydrophobicContact CD1-CB 3.98Å; I15-V156 HydrophobicContact CD1-CG2 3.83Å; I15-V156 HydrophobicContact CG1-CG2 3.83Å; I15-I159 HydrophobicContact CG1-CD1 4.24Å |
| 16 | L | 95.7 | Very high | 93.1 | Very high | 83 Ų | 83 | 67.8 Ų | 67.8 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.5 | -36 | 177.8 | -67.7 | 173.7 | 0 | 0 | 0 | 112.5 | K12 S13 C14 F18 H19 K20 | K12-L16 HydrophobicContact CG-CD1 4.39Å; K12-L16 WeakPolarHBondContact O-CG 3.43Å; K12-L16 PolarHBondContact O-N 3.07Å; S13-L16 PolarHBondContact O-N 3.31Å; C14-L16 VanDerWaalsContact C-N 3.32Å; C14-L16 PolarHBondContact O-N 3.29Å; L16-F18 VanDerWaalsContact C-N 3.34Å; L16-H19 PolarHBondContact O-N 3.1Å; L16-K20 WeakPolarHBondContact O-CB 3.47Å; L16-K20 VanDerWaalsContact O-CG 3.26Å; L16-K20 WeakPolarHBondContact O-CG 3.43Å; L16-K20 PolarHBondContact O-N 3.42Å; L16-K20 VanDerWaalsContact O-N 3.11Å |
| 17 | S | 94.9 | Very high | 93.4 | Very high | 46 Ų | 46 | 64 Ų | 64 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 175.5 | -66.6 | 0 | 0 | 0 | 0 | 111.4 | S13 C14 I15 K20 A21 | S13-S17 PolarHBondContact O-N 3.01Å; S13-S17 PolarHBondContact O-OG 3.19Å; S13-S17 VanDerWaalsContact O-OG 3.06Å; C14-S17 WeakPolarHBondContact O-CB 3.09Å; C14-S17 PolarHBondContact O-N 3.11Å; I15-S17 VanDerWaalsContact C-N 3.35Å; I15-S17 PolarHBondContact O-N 2.85Å; S17-K20 PolarHBondContact O-N 3.11Å; S17-A21 PolarHBondContact O-N 2.84Å |
| 18 | F | 94.4 | Very high | 93.3 | Very high | 18 Ų | 18 | 63.5 Ų | 63.5 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.1 | -53.7 | 174.5 | 176.4 | -109.4 | 0 | 0 | 0 | 111.8 | C14 I15 L16 K20 A21 D23 V26 F32 I159 P160 | C14-F18 PolarHBondContact O-N 3.45Å; I15-F18 WeakPolarHBondContact O-CB 3.29Å; I15-F18 PolarHBondContact O-N 3.44Å; L16-F18 VanDerWaalsContact C-N 3.34Å; F18-K20 PolarHBondContact O-N 3.07Å; F18-K20 VanDerWaalsContact O-N 3.14Å; F18-A21 PolarHBondContact O-N 2.87Å; F18-A21 VanDerWaalsContact O-N 3.16Å; F18-D23 HydrophobicContact CE2-CB 4.41Å; F18-D23 WeakPolarHBondContact CE2-O 3.41Å; F18-V26 HydrophobicContact CD2-CG2 3.6Å; F18-V26 HydrophobicContact CE2-CG2 3.96Å; F18-V26 HydrophobicContact CG-CG2 4.46Å; F18-F32 HydrophobicContact CB-CE1 4.07Å; F18-F32 HydrophobicContact CB-CE2 4.36Å; F18-F32 HydrophobicContact CB-CZ 3.58Å; F18-F32 HydrophobicContact CD2-CZ 4.15Å; F18-F32 HydrophobicContact CG-CZ 4.32Å; F18-I159 HydrophobicContact CB-CD1 4.09Å; F18-I159 HydrophobicContact CD1-CB 4.27Å; F18-I159 HydrophobicContact CD1-CD1 4.04Å; F18-I159 HydrophobicContact CD1-CG1 3.73Å; F18-I159 HydrophobicContact CD1-CG2 3.78Å; F18-I159 HydrophobicContact CD2-CG2 3.76Å; F18-I159 HydrophobicContact CE1-CB 4.32Å; F18-I159 HydrophobicContact CE1-CG1 4.14Å; F18-I159 HydrophobicContact CE1-CG2 3.83Å; F18-I159 HydrophobicContact CE2-CG2 3.82Å; F18-I159 HydrophobicContact CG-CD1 4.15Å; F18-I159 HydrophobicContact CG-CG1 4.24Å; F18-I159 HydrophobicContact CG-CG2 3.75Å; F18-I159 HydrophobicContact CZ-CG2 3.86Å; F18-P160 HydrophobicContact CZ-CG 3.92Å |
| 19 | H | 92.1 | Very high | 93 | Very high | 112 Ų | 112 | 69.2 Ų | 69.2 | 52% | 0.519 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.4 | -20.5 | -178.9 | -68.6 | -53.9 | 0 | 0 | 0 | 114.1 | I15 L16 | I15-H19 PolarHBondContact O-CD2 3.04Å; I15-H19 PolarHBondContact O-N 3.26Å; L16-H19 PolarHBondContact O-N 3.1Å |
| 20 | K | 92.7 | Very high | 92.9 | Very high | 164 Ų | 164 | 66 Ų | 66 | 71% | 0.713 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -86.3 | -31.7 | 175.8 | -74.4 | 173.5 | -178.6 | -179.5 | 0 | 113.2 | L16 S17 F18 N22 | L16-K20 WeakPolarHBondContact O-CB 3.47Å; L16-K20 VanDerWaalsContact O-CG 3.26Å; L16-K20 WeakPolarHBondContact O-CG 3.43Å; L16-K20 PolarHBondContact O-N 3.42Å; L16-K20 VanDerWaalsContact O-N 3.11Å; S17-K20 PolarHBondContact O-N 3.11Å; F18-K20 PolarHBondContact O-N 3.07Å; F18-K20 VanDerWaalsContact O-N 3.14Å; K20-N22 PolarHBondContact O-N 3.5Å |
| 21 | A | 87.8 | Confident | 92.6 | Very high | 48 Ų | 48 | 72.4 Ų | 72.4 | 40% | 0.397 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.1 | -21.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S17 F18 D23 | S17-A21 PolarHBondContact O-N 2.84Å; F18-A21 PolarHBondContact O-N 2.87Å; F18-A21 VanDerWaalsContact O-N 3.16Å; A21-D23 HydrophobicContact CB-CB 4.46Å; A21-D23 WeakPolarHBondContact CB-OD2 3.43Å; A21-D23 PolarHBondContact O-N 2.87Å |
| 22 | N | 81.3 | Confident | 92.4 | Very high | 146 Ų | 146 | 73.5 Ų | 73.5 | 78% | 0.781 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 26.7 | -171.8 | -67 | -27 | 0 | 0 | 0 | 113 | K20 | K20-N22 PolarHBondContact O-N 3.5Š|
| 23 | D | 85 | Confident | 92.3 | Very high | 76 Ų | 76 | 69.1 Ų | 69.1 | 41% | 0.406 | 36% | 0.36 | S | S | . | . | trans | -71.5 | 143.7 | 175.2 | -67.5 | -31.8 | 0 | 0 | 0 | 110.6 | F18 A21 S25 | F18-D23 HydrophobicContact CE2-CB 4.41Å; F18-D23 WeakPolarHBondContact CE2-O 3.41Å; A21-D23 HydrophobicContact CB-CB 4.46Å; A21-D23 WeakPolarHBondContact CB-OD2 3.43Å; A21-D23 PolarHBondContact O-N 2.87Å; D23-S25 VanDerWaalsContact C-N 3.34Å | ||
| 24 | E | 90.3 | Very high | 92.2 | Very high | 186 Ų | 186 | 69.6 Ų | 69.6 | 87% | 0.869 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -70.4 | -31.3 | 175.8 | -67.5 | -172.9 | 170 | 0 | 0 | 112.6 | P160 | E24-P160 WeakPolarHBondContact O-CG 3.45Š|
| 25 | S | 95.3 | Very high | 92.2 | Very high | 37 Ų | 37 | 71.4 Ų | 71.4 | 26% | 0.259 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -158 | 156.8 | 179.1 | 63.1 | 0 | 0 | 0 | 0 | 112.3 | D23 P160 | D23-S25 VanDerWaalsContact C-N 3.34Å; S25-P160 CarbonylContact C-O 3.59Å; S25-P160 VanDerWaalsContact CA-O 3.25Å; S25-P160 WeakPolarHBondContact CA-O 3.26Å; S25-P160 WeakPolarHBondContact CB-O 3.49Å |
| 26 | V | 96.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -87.7 | 125 | 173.8 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | F18 T30 F32 L33 I159 P160 F161 N162 | F18-V26 HydrophobicContact CD2-CG2 3.6Å; F18-V26 HydrophobicContact CE2-CG2 3.96Å; F18-V26 HydrophobicContact CG-CG2 4.46Å; V26-T30 HydrophobicContact CG1-CG2 3.95Å; V26-F32 HydrophobicContact CG1-CE2 4.45Å; V26-F32 HydrophobicContact CG1-CZ 4.47Å; V26-F32 HydrophobicContact CG2-CE2 4.09Å; V26-F32 HydrophobicContact CG2-CZ 3.61Å; V26-L33 HydrophobicContact CG1-CB 4.19Å; V26-L33 HydrophobicContact CG1-CD1 4.01Å; V26-L33 HydrophobicContact CG1-CG 4.47Å; V26-I159 HydrophobicContact CB-CG2 4.5Å; V26-I159 HydrophobicContact CG2-CG2 3.53Å; V26-P160 PolarHBondContact N-O 2.99Å; V26-F161 HydrophobicContact CB-CD1 3.55Å; V26-F161 HydrophobicContact CB-CE1 3.72Å; V26-F161 HydrophobicContact CB-CG 4.3Å; V26-F161 HydrophobicContact CG1-CD1 3.63Å; V26-F161 HydrophobicContact CG1-CE1 3.57Å; V26-F161 HydrophobicContact CG2-CD1 4.35Å; V26-F161 HydrophobicContact CG2-CE1 4.13Å; V26-F161 WeakPolarHBondContact O-CA 3.29Å; V26-N162 PolarHBondContact O-N 3.48Å |
| 27 | T | 94.7 | Very high | 92.4 | Very high | 47 Ų | 47 | 66.7 Ų | 66.7 | 29% | 0.288 | 34% | 0.344 | S | S | . | . | trans | -115.4 | 176.8 | 177.8 | 71.2 | 0 | 0 | 0 | 0 | 110.4 | E29 T30 L33 | T27-E29 PolarHBondContact O-N 3.47Å; T27-E29 PolarHBondContact OG1-N 3.41Å; T27-T30 PolarHBondContact N-OG1 2.92Å; T27-T30 VanDerWaalsContact O-CB 3.32Å; T27-T30 WeakPolarHBondContact O-CB 3.4Å; T27-T30 PolarHBondContact O-N 3.3Å; T27-T30 PolarHBondContact O-OG1 3.19Å; T27-L33 WeakPolarHBondContact O-CD2 3.35Å | ||
| 28 | D | 91.9 | Very high | 92.5 | Very high | 44 Ų | 44 | 67.8 Ų | 67.8 | 24% | 0.235 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.1 | 177.3 | -75.7 | -55.7 | 0 | 0 | 0 | 114.4 | R107 N164 | D28-R107 VanDerWaalsContact CG-NH2 3.3Å; D28-R107 IonicContact OD1-CZ 4Å; D28-R107 IonicContact OD1-NH1 3.33Å; D28-R107 PolarHBondContact OD1-NH1 2.92Å; D28-R107 IonicContact OD1-NH2 3.23Å; D28-R107 PolarHBondContact OD1-NH2 2.85Å; D28-R107 IonicContact OD2-NH2 2.86Å; D28-R107 PolarHBondContact OD2-NH2 2.61Å; D28-N164 WeakPolarHBondContact OD2-CA 3.43Å; D28-N164 VanDerWaalsContact OD2-CB 3.24Å; D28-N164 WeakPolarHBondContact OD2-CB 3.4Å; D28-N164 PolarHBondContact OD2-N 3.28Å |
| 29 | E | 89.2 | Confident | 92.6 | Very high | 120 Ų | 120 | 66.9 Ų | 66.9 | 56% | 0.561 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -5.3 | 178.7 | -56.8 | -62.2 | 154.7 | 0 | 0 | 112.3 | T27 Q31 | T27-E29 PolarHBondContact O-N 3.47Å; T27-E29 PolarHBondContact OG1-N 3.41Å; E29-Q31 PolarHBondContact O-N 2.84Å |
| 30 | T | 92 | Very high | 92.9 | Very high | 18 Ų | 18 | 61.6 Ų | 61.6 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | trans | -68.4 | 119.3 | 180 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | V26 T27 F32 L33 | V26-T30 HydrophobicContact CG1-CG2 3.95Å; T27-T30 PolarHBondContact N-OG1 2.92Å; T27-T30 VanDerWaalsContact O-CB 3.32Å; T27-T30 WeakPolarHBondContact O-CB 3.4Å; T27-T30 PolarHBondContact O-N 3.3Å; T27-T30 PolarHBondContact O-OG1 3.19Å; T30-F32 VanDerWaalsContact C-N 3.3Å; T30-F32 HydrophobicContact CG2-CD1 3.67Å; T30-F32 HydrophobicContact CG2-CE1 3.34Å; T30-F32 HydrophobicContact CG2-CE2 4.27Å; T30-F32 HydrophobicContact CG2-CG 4.26Å; T30-F32 HydrophobicContact CG2-CZ 3.66Å; T30-F32 PolarHBondContact O-N 3.21Å; T30-F32 VanDerWaalsContact O-N 3.09Å; T30-L33 VanDerWaalsContact O-CB 3.27Å; T30-L33 WeakPolarHBondContact O-CB 3.38Å; T30-L33 PolarHBondContact O-N 3.06Å | ||
| 31 | Q | 88.5 | Confident | 93.1 | Very high | 189 Ų | 189 | 54.3 Ų | 54.3 | 88% | 0.883 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -39.4 | -170.5 | -170.5 | -178.6 | 23.2 | 0 | 0 | 115 | E29 | E29-Q31 PolarHBondContact O-N 2.84Š|
| 32 | F | 93 | Very high | 93.5 | Very high | 23 Ų | 23 | 53.8 Ų | 53.8 | 10% | 0.101 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -7.8 | -176.9 | 68.6 | -101.7 | 0 | 0 | 0 | 113.9 | C14 F18 V26 T30 Q34 S35 L36 | C14-F32 HydrophobicContact CB-CD2 3.78Å; C14-F32 HydrophobicContact CB-CE2 4.47Å; C14-F32 HydrophobicContact CB-CG 4.41Å; F18-F32 HydrophobicContact CB-CE1 4.07Å; F18-F32 HydrophobicContact CB-CE2 4.36Å; F18-F32 HydrophobicContact CB-CZ 3.58Å; F18-F32 HydrophobicContact CD2-CZ 4.15Å; F18-F32 HydrophobicContact CG-CZ 4.32Å; V26-F32 HydrophobicContact CG1-CE2 4.45Å; V26-F32 HydrophobicContact CG1-CZ 4.47Å; V26-F32 HydrophobicContact CG2-CE2 4.09Å; V26-F32 HydrophobicContact CG2-CZ 3.61Å; T30-F32 VanDerWaalsContact C-N 3.3Å; T30-F32 HydrophobicContact CG2-CD1 3.67Å; T30-F32 HydrophobicContact CG2-CE1 3.34Å; T30-F32 HydrophobicContact CG2-CE2 4.27Å; T30-F32 HydrophobicContact CG2-CG 4.26Å; T30-F32 HydrophobicContact CG2-CZ 3.66Å; T30-F32 PolarHBondContact O-N 3.21Å; T30-F32 VanDerWaalsContact O-N 3.09Å; F32-Q34 PolarHBondContact O-N 3.2Å; F32-S35 PolarHBondContact O-N 2.98Å; F32-L36 PolarHBondContact O-N 3.44Å |
| 33 | L | 95.5 | Very high | 94.2 | Very high | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -46.6 | -176 | 174.9 | 64.7 | 0 | 0 | 0 | 111.4 | V26 T27 T30 S35 L36 C37 L110 F161 L163 | V26-L33 HydrophobicContact CG1-CB 4.19Å; V26-L33 HydrophobicContact CG1-CD1 4.01Å; V26-L33 HydrophobicContact CG1-CG 4.47Å; T27-L33 WeakPolarHBondContact O-CD2 3.35Å; T30-L33 VanDerWaalsContact O-CB 3.27Å; T30-L33 WeakPolarHBondContact O-CB 3.38Å; T30-L33 PolarHBondContact O-N 3.06Å; L33-S35 VanDerWaalsContact C-N 3.3Å; L33-S35 PolarHBondContact O-N 3.4Å; L33-L36 WeakPolarHBondContact O-CB 3.3Å; L33-L36 PolarHBondContact O-N 2.98Å; L33-C37 WeakPolarHBondContact O-CB 3.33Å; L33-C37 PolarHBondContact O-N 3.16Å; L33-C37 PolarHBondContact O-SG 3.42Å; L33-C37 VanDerWaalsContact O-SG 3.36Å; L33-L110 HydrophobicContact CD1-CD1 4.47Å; L33-F161 HydrophobicContact CD1-CD1 4.35Å; L33-F161 HydrophobicContact CD1-CE1 3.96Å; L33-L163 HydrophobicContact CD1-CD1 4.46Å; L33-L163 HydrophobicContact CD1-CD2 4.26Å; L33-L163 HydrophobicContact CD2-CD2 3.52Å |
| 34 | Q | 94.4 | Very high | 94.7 | Very high | 76 Ų | 76 | 43.2 Ų | 43.2 | 36% | 0.355 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -56.2 | -48.7 | 177.1 | -179.9 | -176.8 | -18.2 | 0 | 0 | 110.6 | F32 L36 C37 E38 W175 | F32-Q34 PolarHBondContact O-N 3.2Å; Q34-L36 VanDerWaalsContact C-N 3.32Å; Q34-L36 PolarHBondContact O-N 3.05Å; Q34-C37 PolarHBondContact O-N 2.99Å; Q34-E38 HydrophobicContact CG-CG 4.37Å; Q34-E38 WeakPolarHBondContact CG-OE1 3.37Å; Q34-E38 PolarHBondContact NE2-OE1 3.06Å; Q34-E38 WeakPolarHBondContact O-CB 3.21Å; Q34-E38 WeakPolarHBondContact O-CG 3.47Å; Q34-E38 PolarHBondContact O-N 3.35Å; Q34-W175 HydrophobicContact CG-CB 3.92Å |
| 35 | S | 95.4 | Very high | 94.9 | Very high | 41 Ų | 41 | 38.4 Ų | 38.4 | 29% | 0.287 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.3 | -38.2 | -179.7 | -172.7 | 0 | 0 | 0 | 0 | 112.4 | Q10 F32 L33 A39 | Q10-S35 WeakPolarHBondContact CG-OG 3.13Å; Q10-S35 PolarHBondContact NE2-O 3.17Å; Q10-S35 PolarHBondContact NE2-OG 3.42Å; F32-S35 PolarHBondContact O-N 2.98Å; L33-S35 VanDerWaalsContact C-N 3.3Å; L33-S35 PolarHBondContact O-N 3.4Å; S35-A39 WeakPolarHBondContact O-CB 3.45Å; S35-A39 PolarHBondContact O-N 2.79Å |
| 36 | L | 97.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63 | -51.2 | 175 | 174.2 | 63.1 | 0 | 0 | 0 | 111.1 | V11 C14 F32 L33 Q34 E38 A39 V40 V156 F161 | V11-L36 HydrophobicContact CB-CD1 4.45Å; V11-L36 HydrophobicContact CG1-CD1 4.06Å; V11-L36 HydrophobicContact CG2-CD1 4.25Å; C14-L36 HydrophobicContact CB-CB 3.95Å; C14-L36 HydrophobicContact CB-CD1 4.09Å; C14-L36 HydrophobicContact CB-CG 4.49Å; F32-L36 PolarHBondContact O-N 3.44Å; L33-L36 WeakPolarHBondContact O-CB 3.3Å; L33-L36 PolarHBondContact O-N 2.98Å; Q34-L36 VanDerWaalsContact C-N 3.32Å; Q34-L36 PolarHBondContact O-N 3.05Å; L36-E38 PolarHBondContact O-N 2.94Å; L36-A39 PolarHBondContact O-N 3.35Å; L36-V40 HydrophobicContact CD1-CG2 4.29Å; L36-V40 WeakPolarHBondContact O-CG2 3.36Å; L36-V40 PolarHBondContact O-N 3.3Å; L36-V156 HydrophobicContact CD1-CG1 4.44Å; L36-V156 HydrophobicContact CD1-CG2 4.01Å; L36-V156 HydrophobicContact CD2-CG1 3.97Å; L36-F161 HydrophobicContact CD2-CE1 4.14Å; L36-F161 HydrophobicContact CD2-CZ 3.83Å |
| 37 | C | 98 | Very high | 94.5 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.8 | -42.1 | -178.6 | -71.4 | 0 | 0 | 0 | 0 | 112.3 | L33 Q34 V40 E41 W175 | L33-C37 WeakPolarHBondContact O-CB 3.33Å; L33-C37 PolarHBondContact O-N 3.16Å; L33-C37 PolarHBondContact O-SG 3.42Å; L33-C37 VanDerWaalsContact O-SG 3.36Å; Q34-C37 PolarHBondContact O-N 2.99Å; C37-V40 PolarHBondContact O-N 2.81Å; C37-E41 WeakPolarHBondContact O-CB 3.33Å; C37-E41 PolarHBondContact O-N 3.37Å; C37-W175 HydrophobicContact CB-CD2 3.5Å; C37-W175 VanDerWaalsContact CB-CD2 3.5Å; C37-W175 HydrophobicContact CB-CE3 3.46Å; C37-W175 VanDerWaalsContact CB-CE3 3.46Å; C37-W175 HydrophobicContact CB-CG 4.19Å; C37-W175 HydrophobicContact CB-CH2 3.64Å; C37-W175 HydrophobicContact CB-CZ2 3.69Å; C37-W175 HydrophobicContact CB-CZ3 3.53Å |
| 38 | E | 96.6 | Very high | 94.3 | Very high | 68 Ų | 68 | 38.7 Ų | 38.7 | 32% | 0.318 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.9 | -41.6 | 174.3 | -76.5 | 173.9 | 175.9 | 0 | 0 | 112.2 | Q34 L36 S42 W175 | Q34-E38 HydrophobicContact CG-CG 4.37Å; Q34-E38 WeakPolarHBondContact CG-OE1 3.37Å; Q34-E38 PolarHBondContact NE2-OE1 3.06Å; Q34-E38 WeakPolarHBondContact O-CB 3.21Å; Q34-E38 WeakPolarHBondContact O-CG 3.47Å; Q34-E38 PolarHBondContact O-N 3.35Å; L36-E38 PolarHBondContact O-N 2.94Å; E38-S42 VanDerWaalsContact O-CB 3.23Å; E38-S42 WeakPolarHBondContact O-CB 3.48Å; E38-S42 PolarHBondContact O-N 2.88Å; E38-S42 PolarHBondContact O-OG 2.7Å; E38-W175 HydrophobicContact CG-CB 4.05Å; E38-W175 VanDerWaalsContact CG-CD1 3.49Å; E38-W175 HydrophobicContact CG-CG 3.97Å |
| 39 | A | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.8 | -45.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | F7 Q10 V11 S35 L36 S42 V43 | F7-A39 HydrophobicContact CB-CB 4.24Å; F7-A39 HydrophobicContact CD1-CB 4.43Å; Q10-A39 HydrophobicContact CB-CB 3.99Å; Q10-A39 HydrophobicContact CG-CB 3.83Å; V11-A39 HydrophobicContact CG2-CB 3.74Å; S35-A39 WeakPolarHBondContact O-CB 3.45Å; S35-A39 PolarHBondContact O-N 2.79Å; L36-A39 PolarHBondContact O-N 3.35Å; A39-S42 PolarHBondContact O-N 3.18Å; A39-V43 WeakPolarHBondContact O-CG2 3.5Å; A39-V43 PolarHBondContact O-N 3Å |
| 40 | V | 98.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.9 | -48.4 | 176.6 | 170.7 | 0 | 0 | 0 | 0 | 111 | V11 L36 C37 S42 V43 L44 I106 L115 | V11-V40 HydrophobicContact CG2-CG2 4.22Å; L36-V40 HydrophobicContact CD1-CG2 4.29Å; L36-V40 WeakPolarHBondContact O-CG2 3.36Å; L36-V40 PolarHBondContact O-N 3.3Å; C37-V40 PolarHBondContact O-N 2.81Å; V40-S42 VanDerWaalsContact C-N 3.3Å; V40-S42 PolarHBondContact O-N 2.62Å; V40-V43 PolarHBondContact O-N 3.33Å; V40-L44 HydrophobicContact CG1-CD1 3.88Å; V40-L44 WeakPolarHBondContact O-CB 3.4Å; V40-L44 WeakPolarHBondContact O-CG 3.32Å; V40-L44 PolarHBondContact O-N 3.37Å; V40-I106 HydrophobicContact CG1-CD1 4.23Å; V40-L115 HydrophobicContact CG1-CD2 4.16Å; V40-L115 HydrophobicContact CG2-CD2 4.48Å |
| 41 | E | 97.4 | Very high | 91.9 | Very high | 11 Ų | 11 | 39 Ų | 39 | 5% | 0.051 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59 | -43.2 | 175.7 | 173.7 | 169.5 | -130.3 | 0 | 0 | 111.1 | C37 V43 L44 R45 Y60 Q99 R103 I106 W175 | C37-E41 WeakPolarHBondContact O-CB 3.33Å; C37-E41 PolarHBondContact O-N 3.37Å; E41-V43 PolarHBondContact O-N 3.49Å; E41-L44 PolarHBondContact O-N 2.88Å; E41-R45 HydrophobicContact CG-CG 4.32Å; E41-R45 VanDerWaalsContact O-CG 3.32Å; E41-R45 WeakPolarHBondContact O-CG 3.26Å; E41-R45 PolarHBondContact O-N 3.49Å; E41-Y60 HydrophobicContact CG-CE1 3.77Å; E41-Y60 PolarHBondContact OE1-OH 3.14Å; E41-Q99 WeakPolarHBondContact OE1-CG 3.15Å; E41-Q99 PolarHBondContact OE1-NE2 2.98Å; E41-Q99 PolarHBondContact OE2-NE2 3.39Å; E41-R103 IonicContact OE1-CZ 3.76Å; E41-R103 IonicContact OE1-NE 2.72Å; E41-R103 PolarHBondContact OE1-NE 3.36Å; E41-R103 IonicContact OE2-CZ 3.26Å; E41-R103 IonicContact OE2-NE 3.34Å; E41-R103 PolarHBondContact OE2-NE 3Å; E41-R103 IonicContact OE2-NH2 3.89Å; E41-R103 PolarHBondContact OE2-NH2 3.2Å; E41-I106 HydrophobicContact CB-CD1 4.38Å; E41-W175 HydrophobicContact CB-CZ2 4.4Å; E41-W175 PolarHBondContact OE2-NE1 2.94Å |
| 42 | S | 95.8 | Very high | 90.5 | Very high | 37 Ų | 37 | 39.3 Ų | 39.3 | 26% | 0.259 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.2 | -47.4 | 179.6 | -63.8 | 0 | 0 | 0 | 0 | 111 | F7 E38 A39 V40 L44 R45 M46 | F7-S42 VanDerWaalsContact CZ-CB 3.46Å; E38-S42 VanDerWaalsContact O-CB 3.23Å; E38-S42 WeakPolarHBondContact O-CB 3.48Å; E38-S42 PolarHBondContact O-N 2.88Å; E38-S42 PolarHBondContact O-OG 2.7Å; A39-S42 PolarHBondContact O-N 3.18Å; V40-S42 VanDerWaalsContact C-N 3.3Å; V40-S42 PolarHBondContact O-N 2.62Å; S42-L44 PolarHBondContact O-N 3.39Å; S42-R45 PolarHBondContact O-N 3.11Å; S42-R45 VanDerWaalsContact O-N 3.13Å; S42-M46 WeakPolarHBondContact O-CG 3.02Å; S42-M46 PolarHBondContact O-N 3.37Å; S42-M46 VanDerWaalsContact O-N 3.07Å |
| 43 | V | 95.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61 | -43.4 | 176 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | F7 F8 A39 V40 E41 R45 M46 V139 M140 F149 | F7-V43 HydrophobicContact CB-CG2 3.53Å; F7-V43 HydrophobicContact CD2-CG2 4.26Å; F7-V43 HydrophobicContact CG-CG2 4.25Å; F8-V43 HydrophobicContact CD1-CG2 4.28Å; F8-V43 HydrophobicContact CE1-CG1 4.35Å; F8-V43 HydrophobicContact CE1-CG2 4.18Å; A39-V43 WeakPolarHBondContact O-CG2 3.5Å; A39-V43 PolarHBondContact O-N 3Å; V40-V43 PolarHBondContact O-N 3.33Å; E41-V43 PolarHBondContact O-N 3.49Å; V43-R45 PolarHBondContact O-N 3.14Å; V43-M46 PolarHBondContact O-N 2.78Å; V43-V139 HydrophobicContact CG1-CB 3.79Å; V43-V139 HydrophobicContact CG1-CG1 3.82Å; V43-V139 HydrophobicContact CG1-CG2 3.89Å; V43-M140 HydrophobicContact CG1-CE 3.76Å; V43-M140 HydrophobicContact CG1-SD 4.42Å; V43-F149 HydrophobicContact CB-CE1 4.09Å; V43-F149 HydrophobicContact CB-CE2 3.94Å; V43-F149 HydrophobicContact CB-CZ 3.68Å; V43-F149 HydrophobicContact CG1-CD1 3.73Å; V43-F149 HydrophobicContact CG1-CD2 3.98Å; V43-F149 HydrophobicContact CG1-CE1 3.52Å; V43-F149 HydrophobicContact CG1-CE2 3.8Å; V43-F149 HydrophobicContact CG1-CG 3.95Å; V43-F149 HydrophobicContact CG1-CZ 3.57Å; V43-F149 HydrophobicContact CG2-CD2 4.32Å; V43-F149 HydrophobicContact CG2-CE2 3.76Å; V43-F149 HydrophobicContact CG2-CZ 4.01Å |
| 44 | L | 95.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.5 | -25 | 176.1 | -79.8 | 164.9 | 0 | 0 | 0 | 114 | V40 E41 S42 Y60 W63 M64 I106 F119 Y133 M140 | V40-L44 HydrophobicContact CG1-CD1 3.88Å; V40-L44 WeakPolarHBondContact O-CB 3.4Å; V40-L44 WeakPolarHBondContact O-CG 3.32Å; V40-L44 PolarHBondContact O-N 3.37Å; E41-L44 PolarHBondContact O-N 2.88Å; S42-L44 PolarHBondContact O-N 3.39Å; L44-Y60 HydrophobicContact CB-CD1 4.14Å; L44-Y60 HydrophobicContact CB-CD2 4.26Å; L44-Y60 HydrophobicContact CB-CG 3.87Å; L44-Y60 HydrophobicContact CD1-CD2 3.95Å; L44-Y60 HydrophobicContact CD1-CE2 4.24Å; L44-Y60 HydrophobicContact CD1-CG 4.41Å; L44-W63 HydrophobicContact CD2-CZ2 4.02Å; L44-M64 HydrophobicContact CD1-CE 4.02Å; L44-M64 HydrophobicContact CD2-CE 3.47Å; L44-M64 VanDerWaalsContact CD2-CE 3.47Å; L44-M64 HydrophobicContact CD2-SD 4.49Å; L44-M64 HydrophobicContact CG-CE 4.43Å; L44-I106 HydrophobicContact CD1-CD1 3.85Å; L44-I106 HydrophobicContact CD1-CG1 4.3Å; L44-F119 HydrophobicContact CD1-CZ 4.41Å; L44-F119 HydrophobicContact CD2-CE1 3.84Å; L44-F119 HydrophobicContact CD2-CZ 3.91Å; L44-F119 HydrophobicContact CG-CE1 4.39Å; L44-F119 HydrophobicContact CG-CZ 4.21Å; L44-Y133 VanDerWaalsContact O-CE1 3.23Å; L44-Y133 WeakPolarHBondContact O-CE1 3.45Å; L44-Y133 PolarHBondContact O-OH 3.25Å; L44-M140 HydrophobicContact CB-CE 4.44Å; L44-M140 HydrophobicContact CD2-CE 3.65Å; L44-M140 HydrophobicContact CG-CE 4.03Å |
| 45 | R | 93.5 | Very high | 84.9 | Confident | 85 Ų | 85 | 59 Ų | 59 | 32% | 0.321 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -92.9 | -16.4 | 178.7 | -68.1 | -178.4 | 97.5 | -170.1 | 12.6 | 114 | E41 S42 V43 G47 L48 D59 Y60 Q99 | E41-R45 HydrophobicContact CG-CG 4.32Å; E41-R45 VanDerWaalsContact O-CG 3.32Å; E41-R45 WeakPolarHBondContact O-CG 3.26Å; E41-R45 PolarHBondContact O-N 3.49Å; S42-R45 PolarHBondContact O-N 3.11Å; S42-R45 VanDerWaalsContact O-N 3.13Å; V43-R45 PolarHBondContact O-N 3.14Å; R45-G47 PolarHBondContact O-N 3.42Å; R45-L48 HydrophobicContact CB-CD1 4.26Å; R45-L48 HydrophobicContact CG-CD1 4.17Å; R45-L48 PolarHBondContact O-N 3.19Å; R45-D59 IonicContact CZ-OD2 2.62Å; R45-D59 IonicContact NE-OD1 3.92Å; R45-D59 PolarHBondContact NE-OD1 3.02Å; R45-D59 IonicContact NE-OD2 3.38Å; R45-D59 PolarHBondContact NE-OD2 2.92Å; R45-D59 IonicContact NH2-OD2 3.62Å; R45-D59 PolarHBondContact NH2-OD2 3.44Å; R45-Y60 HydrophobicContact CG-CD1 3.58Å; R45-Y60 HydrophobicContact CG-CE1 3.83Å; R45-Q99 VanDerWaalsContact NH2-OE1 3.11Å |
| 46 | M | 92.4 | Very high | 83.2 | Confident | 45 Ų | 45 | 65.6 Ų | 65.6 | 22% | 0.222 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 124.5 | 179.2 | -76.2 | 178.5 | 70.1 | 0 | 0 | 111.1 | V2 P5 F7 S42 V43 L48 Y133 S138 V139 | V2-M46 HydrophobicContact CG1-CE 4.06Å; P5-M46 HydrophobicContact CB-CE 4.03Å; P5-M46 HydrophobicContact CB-SD 3.87Å; P5-M46 HydrophobicContact CG-CE 3.76Å; P5-M46 HydrophobicContact CG-SD 3.94Å; F7-M46 HydrophobicContact CD2-SD 3.93Å; F7-M46 HydrophobicContact CE2-SD 4.16Å; S42-M46 WeakPolarHBondContact O-CG 3.02Å; S42-M46 PolarHBondContact O-N 3.37Å; S42-M46 VanDerWaalsContact O-N 3.07Å; V43-M46 PolarHBondContact O-N 2.78Å; M46-L48 VanDerWaalsContact C-N 3.25Å; M46-L48 PolarHBondContact O-N 2.89Å; M46-Y133 WeakPolarHBondContact O-CD1 3.34Å; M46-S138 WeakPolarHBondContact O-CA 3.38Å; M46-S138 WeakPolarHBondContact O-CB 3.45Å; M46-V139 HydrophobicContact CE-CG2 4.48Å; M46-V139 HydrophobicContact SD-CG2 4.33Å |
| 47 | G | 90.8 | Very high | 81.6 | Confident | 15 Ų | 15 | 74.1 Ų | 74.1 | 16% | 0.155 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 20.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | R45 K49 Y133 E134 | R45-G47 PolarHBondContact O-N 3.42Å; G47-K49 PolarHBondContact O-N 3.04Å; G47-Y133 CarbonylContact O-C 3.56Å; G47-Y133 WeakPolarHBondContact O-CA 3.43Å; G47-E134 PolarHBondContact O-N 3.49Å |
| 48 | L | 90.9 | Very high | 80.7 | Confident | 30 Ų | 30 | 78.6 Ų | 78.6 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -60.4 | 127.7 | 172 | -83.1 | 175.6 | 0 | 0 | 0 | 110.8 | R45 M46 C50 Y133 | R45-L48 HydrophobicContact CB-CD1 4.26Å; R45-L48 HydrophobicContact CG-CD1 4.17Å; R45-L48 PolarHBondContact O-N 3.19Å; M46-L48 VanDerWaalsContact C-N 3.25Å; M46-L48 PolarHBondContact O-N 2.89Å; L48-C50 PolarHBondContact O-N 3.26Å; L48-C50 VanDerWaalsContact O-N 3.14Å; L48-Y133 HydrophobicContact CD2-CD1 3.88Å; L48-Y133 HydrophobicContact CD2-CE1 3.32Å; L48-Y133 HydrophobicContact CD2-CE2 4.16Å; L48-Y133 VanDerWaalsContact CD2-CZ 3.46Å; L48-Y133 HydrophobicContact CG-CD1 4.2Å; L48-Y133 HydrophobicContact CG-CE1 3.63Å |
| 49 | K | 87.5 | Confident | 80.5 | Confident | 84 Ų | 84 | 75.9 Ų | 75.9 | 37% | 0.365 | 35% | 0.354 | S | S | . | . | trans | -65.8 | 113.2 | 177.9 | -74.8 | 176.8 | 168.1 | 163.9 | 0 | 110.8 | G47 S51 A130 F132 Y133 E134 | G47-K49 PolarHBondContact O-N 3.04Å; K49-S51 PolarHBondContact O-N 3.01Å; K49-A130 PolarHBondContact NZ-O 3.34Å; K49-F132 WeakPolarHBondContact CB-O 3.45Å; K49-F132 PolarHBondContact N-O 2.89Å; K49-Y133 WeakPolarHBondContact CE-O 3.45Å; K49-Y133 PolarHBondContact NZ-O 3.23Å; K49-E134 WeakPolarHBondContact CE-OE2 3.35Å | ||
| 50 | C | 71.2 | Confident | 80.4 | Confident | 60 Ų | 60 | 75.9 Ų | 75.9 | 41% | 0.405 | 35% | 0.354 | S | S | . | . | trans | -75.8 | 116.4 | 170 | -74.2 | 0 | 0 | 0 | 0 | 109.5 | L48 H52 | L48-C50 PolarHBondContact O-N 3.26Å; L48-C50 VanDerWaalsContact O-N 3.14Å; C50-H52 PolarHBondContact O-N 3.27Å | ||
| 51 | S | 64.4 | Low | 80.3 | Confident | 45 Ų | 45 | 76 Ų | 76 | 32% | 0.315 | 36% | 0.355 | S | S | . | . | trans | -70.2 | 100.5 | 171 | 173.7 | 0 | 0 | 0 | 0 | 109.3 | K49 R53 L54 | K49-S51 PolarHBondContact O-N 3.01Å; S51-R53 PolarHBondContact O-N 3.16Å; S51-L54 PolarHBondContact O-N 3.01Å; S51-L54 WeakPolarHBondContact OG-CD1 3.33Å; S51-L54 WeakPolarHBondContact OG-CG 3.48Å; S51-L54 PolarHBondContact OG-N 3.16Å | ||
| 52 | H | 59.4 | Low | 80.1 | Confident | 194 Ų | 194 | 77.4 Ų | 77.4 | 90% | 0.898 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -24 | 176.8 | -62.9 | -67 | 0 | 0 | 0 | 113.8 | C50 | C50-H52 PolarHBondContact O-N 3.27Š|
| 53 | R | 55.5 | Low | 79.9 | Confident | 241 Ų | 241 | 76 Ų | 76 | 91% | 0.909 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -10.4 | -178.2 | -61.6 | -171.8 | -175.1 | -173.9 | 1.9 | 115.3 | S51 | S51-R53 PolarHBondContact O-N 3.16Š|
| 54 | L | 53.3 | Low | 79.9 | Confident | 96 Ų | 96 | 76 Ų | 76 | 50% | 0.503 | 35% | 0.351 | S | S | . | . | trans | -109.9 | 122 | -176.1 | -71.3 | 170 | 0 | 0 | 0 | 110 | S51 K56 | S51-L54 PolarHBondContact O-N 3.01Å; S51-L54 WeakPolarHBondContact OG-CD1 3.33Å; S51-L54 WeakPolarHBondContact OG-CG 3.48Å; S51-L54 PolarHBondContact OG-N 3.16Å; L54-K56 PolarHBondContact O-N 2.84Å; L54-K56 VanDerWaalsContact O-N 3.12Å | ||
| 55 | I | 55.4 | Low | 79.9 | Confident | 183 Ų | 183 | 79.3 Ų | 79.3 | 94% | 0.938 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -56 | -28.2 | 175.3 | -61.6 | 170.2 | 0 | 0 | 0 | 111.4 | ||
| 56 | K | 59.5 | Low | 80 | Confident | 181 Ų | 181 | 77.6 Ų | 77.6 | 79% | 0.787 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -94.2 | 111.8 | 175.3 | -67.1 | -172.9 | 178.7 | -176 | 0 | 110.4 | L54 K58 | L54-K56 PolarHBondContact O-N 2.84Å; L54-K56 VanDerWaalsContact O-N 3.12Å; K56-K58 PolarHBondContact O-N 3.4Å |
| 57 | R | 63.8 | Low | 80.1 | Confident | 179 Ų | 179 | 75.5 Ų | 75.5 | 68% | 0.675 | 35% | 0.353 | S | S | * | . | trans | -56.5 | 123.8 | 170.3 | -165.7 | 173.3 | -176.1 | 169.8 | -0.4 | 108.7 | ||||
| 58 | K | 80.9 | Confident | 80.4 | Confident | 96 Ų | 96 | 75.9 Ų | 75.9 | 42% | 0.417 | 35% | 0.352 | S | S | . | . | trans | -71.2 | 136.2 | 170.2 | -69.7 | -177.5 | 179.7 | 177.1 | 0 | 107.7 | K56 N62 | K56-K58 PolarHBondContact O-N 3.4Å; K58-N62 HydrophobicContact CB-CB 4.41Å | ||
| 59 | D | 92 | Very high | 80.6 | Confident | 11 Ų | 11 | 82.6 Ų | 82.6 | 6% | 0.059 | 38% | 0.376 | C | S | . | . | trans | -116.5 | 174.2 | 174.7 | -138.1 | -42.5 | 0 | 0 | 0 | 110.2 | R45 W61 N62 A98 | R45-D59 IonicContact CZ-OD2 2.62Å; R45-D59 IonicContact NE-OD1 3.92Å; R45-D59 PolarHBondContact NE-OD1 3.02Å; R45-D59 IonicContact NE-OD2 3.38Å; R45-D59 PolarHBondContact NE-OD2 2.92Å; R45-D59 IonicContact NH2-OD2 3.62Å; R45-D59 PolarHBondContact NH2-OD2 3.44Å; D59-W61 PolarHBondContact O-N 3.25Å; D59-N62 PolarHBondContact N-OD1 3.05Å; D59-N62 VanDerWaalsContact O-CB 3.28Å; D59-N62 WeakPolarHBondContact O-CB 3.33Å; D59-N62 PolarHBondContact O-N 3.25Å; D59-N62 PolarHBondContact O-OD1 3.36Å; D59-A98 HydrophobicContact CB-CB 3.84Å | ||
| 60 | Y | 94.9 | Very high | 80.8 | Confident | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.5 | -31.4 | -176.1 | 57.1 | -87 | 0 | 0 | 0 | 113.2 | E41 L44 R45 N62 W63 M64 Q99 G102 R103 I106 | E41-Y60 HydrophobicContact CG-CE1 3.77Å; E41-Y60 PolarHBondContact OE1-OH 3.14Å; L44-Y60 HydrophobicContact CB-CD1 4.14Å; L44-Y60 HydrophobicContact CB-CD2 4.26Å; L44-Y60 HydrophobicContact CB-CG 3.87Å; L44-Y60 HydrophobicContact CD1-CD2 3.95Å; L44-Y60 HydrophobicContact CD1-CE2 4.24Å; L44-Y60 HydrophobicContact CD1-CG 4.41Å; R45-Y60 HydrophobicContact CG-CD1 3.58Å; R45-Y60 HydrophobicContact CG-CE1 3.83Å; Y60-N62 PolarHBondContact O-N 3.16Å; Y60-W63 PolarHBondContact O-N 3.14Å; Y60-W63 PolarHBondContact O-NE1 3.37Å; Y60-M64 HydrophobicContact CD2-SD 3.98Å; Y60-M64 WeakPolarHBondContact O-CG 3.39Å; Y60-M64 PolarHBondContact O-N 3.44Å; Y60-Q99 PolarHBondContact OH-O 2.99Å; Y60-G102 VanDerWaalsContact CE2-C 3.48Å; Y60-R103 WeakPolarHBondContact OH-CG 3.46Å; Y60-R103 PolarHBondContact OH-N 3.34Å; Y60-I106 HydrophobicContact CE2-CD1 3.71Å; Y60-I106 HydrophobicContact CE2-CG1 4.41Å |
| 61 | W | 95.6 | Very high | 81.9 | Confident | 4 Ų | 4 | 77.1 Ų | 77.1 | 2% | 0.015 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -52.7 | -37.5 | 170.3 | 168.7 | -121.2 | 0 | 0 | 0 | 113.1 | D59 W63 M64 K65 V86 V89 A98 R101 L105 | D59-W61 PolarHBondContact O-N 3.25Å; W61-W63 VanDerWaalsContact C-N 3.27Å; W61-W63 PolarHBondContact O-N 3.49Å; W61-M64 PolarHBondContact O-N 3.1Å; W61-K65 HydrophobicContact CD2-CB 4.02Å; W61-K65 HydrophobicContact CD2-CD 4.43Å; W61-K65 HydrophobicContact CE3-CB 4Å; W61-K65 HydrophobicContact CH2-CB 3.56Å; W61-K65 HydrophobicContact CZ2-CB 3.56Å; W61-K65 HydrophobicContact CZ2-CD 4.01Å; W61-K65 HydrophobicContact CZ2-CG 4.43Å; W61-K65 HydrophobicContact CZ3-CB 3.78Å; W61-K65 WeakPolarHBondContact O-CB 3.4Å; W61-K65 WeakPolarHBondContact O-CG 3.19Å; W61-K65 PolarHBondContact O-N 2.98Å; W61-V86 HydrophobicContact CH2-CG1 4.15Å; W61-V89 HydrophobicContact CD2-CG1 4.42Å; W61-V89 HydrophobicContact CE3-CG1 4.14Å; W61-V89 HydrophobicContact CH2-CB 3.73Å; W61-V89 HydrophobicContact CH2-CG1 3.42Å; W61-V89 VanDerWaalsContact CH2-CG1 3.42Å; W61-V89 HydrophobicContact CZ2-CB 4.4Å; W61-V89 HydrophobicContact CZ2-CG1 3.73Å; W61-V89 HydrophobicContact CZ3-CB 4.03Å; W61-V89 HydrophobicContact CZ3-CG1 3.64Å; W61-A98 WeakPolarHBondContact CB-O 3.39Å; W61-R101 HydrophobicContact CD2-CB 3.89Å; W61-R101 HydrophobicContact CG-CB 3.81Å; W61-R101 VanDerWaalsContact NE1-CD 3.34Å; W61-L105 HydrophobicContact CE3-CB 4.33Å; W61-L105 HydrophobicContact CE3-CD2 3.9Å; W61-L105 HydrophobicContact CZ3-CB 4.3Å; W61-L105 HydrophobicContact CZ3-CD1 4.45Å; W61-L105 HydrophobicContact CZ3-CD2 3.9Å; W61-L105 HydrophobicContact CZ3-CG 4.44Å |
| 62 | N | 92.5 | Very high | 83.3 | Confident | 40 Ų | 40 | 82.1 Ų | 82.1 | 21% | 0.214 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.7 | -30.6 | -172.4 | -70.7 | 98.7 | 0 | 0 | 0 | 113.3 | K58 D59 Y60 N66 | K58-N62 HydrophobicContact CB-CB 4.41Å; D59-N62 PolarHBondContact N-OD1 3.05Å; D59-N62 VanDerWaalsContact O-CB 3.28Å; D59-N62 WeakPolarHBondContact O-CB 3.33Å; D59-N62 PolarHBondContact O-N 3.25Å; D59-N62 PolarHBondContact O-OD1 3.36Å; Y60-N62 PolarHBondContact O-N 3.16Å; N62-N66 PolarHBondContact O-ND2 3.22Å |
| 63 | W | 92.4 | Very high | 84.9 | Confident | 6 Ų | 6 | 81.1 Ų | 81.1 | 2% | 0.023 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -91.2 | -40 | 174.8 | 71.5 | -101 | 0 | 0 | 0 | 111.3 | L44 Y60 W61 K65 N66 I67 P118 L122 F132 Y133 | L44-W63 HydrophobicContact CD2-CZ2 4.02Å; Y60-W63 PolarHBondContact O-N 3.14Å; Y60-W63 PolarHBondContact O-NE1 3.37Å; W61-W63 VanDerWaalsContact C-N 3.27Å; W61-W63 PolarHBondContact O-N 3.49Å; W63-K65 VanDerWaalsContact C-N 3.31Å; W63-K65 PolarHBondContact O-N 3.44Å; W63-N66 WeakPolarHBondContact O-CB 3.44Å; W63-N66 PolarHBondContact O-N 3.49Å; W63-I67 HydrophobicContact CE3-CD1 4.08Å; W63-I67 HydrophobicContact CE3-CG1 4.26Å; W63-I67 HydrophobicContact CH2-CD1 4.48Å; W63-I67 HydrophobicContact CZ3-CD1 3.55Å; W63-I67 HydrophobicContact CZ3-CG1 4.19Å; W63-P118 HydrophobicContact CH2-CB 3.97Å; W63-P118 HydrophobicContact CZ3-CB 4.24Å; W63-L122 HydrophobicContact CH2-CD1 3.46Å; W63-L122 VanDerWaalsContact CH2-CD1 3.46Å; W63-L122 HydrophobicContact CH2-CG 4.02Å; W63-L122 HydrophobicContact CZ2-CD1 3.94Å; W63-L122 HydrophobicContact CZ3-CD1 3.88Å; W63-L122 HydrophobicContact CZ3-CD2 4.18Å; W63-L122 HydrophobicContact CZ3-CG 3.98Å; W63-F132 HydrophobicContact CB-CB 4.45Å; W63-F132 HydrophobicContact CB-CD1 3.47Å; W63-F132 VanDerWaalsContact CB-CD1 3.47Å; W63-F132 HydrophobicContact CB-CD2 3.64Å; W63-F132 HydrophobicContact CB-CE1 3.43Å; W63-F132 VanDerWaalsContact CB-CE1 3.43Å; W63-F132 HydrophobicContact CB-CE2 3.63Å; W63-F132 HydrophobicContact CB-CG 3.57Å; W63-F132 HydrophobicContact CB-CZ 3.52Å; W63-F132 HydrophobicContact CG-CB 4.43Å; W63-F132 HydrophobicContact CG-CD1 4.29Å; W63-F132 HydrophobicContact CG-CD2 4.12Å; W63-F132 HydrophobicContact CG-CG 4.01Å; W63-Y133 AromaticContact CE2-CE2 3.95Å; W63-Y133 HydrophobicContact CZ2-CE2 4.28Å; W63-Y133 AromaticContact NE1-CE2 3.52Å; W63-Y133 AromaticContact NE1-CZ 3.59Å; W63-Y133 PolarHBondContact NE1-OH 2.91Å |
| 64 | M | 96.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.1 | -42.1 | 179.1 | -76.6 | -178.1 | 151.7 | 0 | 0 | 112.5 | L44 Y60 W61 N66 I67 Y82 L105 P118 | L44-M64 HydrophobicContact CD1-CE 4.02Å; L44-M64 HydrophobicContact CD2-CE 3.47Å; L44-M64 VanDerWaalsContact CD2-CE 3.47Å; L44-M64 HydrophobicContact CD2-SD 4.49Å; L44-M64 HydrophobicContact CG-CE 4.43Å; Y60-M64 HydrophobicContact CD2-SD 3.98Å; Y60-M64 WeakPolarHBondContact O-CG 3.39Å; Y60-M64 PolarHBondContact O-N 3.44Å; W61-M64 PolarHBondContact O-N 3.1Å; M64-N66 PolarHBondContact O-N 3.24Å; M64-N66 VanDerWaalsContact O-N 3.15Å; M64-I67 WeakPolarHBondContact O-CB 3.5Å; M64-I67 WeakPolarHBondContact O-CG1 3.18Å; M64-I67 PolarHBondContact O-N 3.34Å; M64-I67 VanDerWaalsContact O-N 3.14Å; M64-Y82 VanDerWaalsContact C-OH 3.3Å; M64-Y82 WeakPolarHBondContact CB-OH 3.38Å; M64-Y82 PolarHBondContact O-OH 3.32Å; M64-L105 HydrophobicContact CB-CD2 3.79Å; M64-L105 HydrophobicContact CG-CD2 4.38Å; M64-L105 HydrophobicContact SD-CD2 3.8Å; M64-P118 HydrophobicContact CE-CB 3.91Å; M64-P118 HydrophobicContact CE-CG 3.82Å |
| 65 | K | 96 | Very high | 88.5 | Confident | 71 Ų | 71 | 78.1 Ų | 78.1 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -21 | 177.3 | 76.7 | -178 | -172.2 | 170.3 | 0 | 114.3 | W61 W63 V86 | W61-K65 HydrophobicContact CD2-CB 4.02Å; W61-K65 HydrophobicContact CD2-CD 4.43Å; W61-K65 HydrophobicContact CE3-CB 4Å; W61-K65 HydrophobicContact CH2-CB 3.56Å; W61-K65 HydrophobicContact CZ2-CB 3.56Å; W61-K65 HydrophobicContact CZ2-CD 4.01Å; W61-K65 HydrophobicContact CZ2-CG 4.43Å; W61-K65 HydrophobicContact CZ3-CB 3.78Å; W61-K65 WeakPolarHBondContact O-CB 3.4Å; W61-K65 WeakPolarHBondContact O-CG 3.19Å; W61-K65 PolarHBondContact O-N 2.98Å; W63-K65 VanDerWaalsContact C-N 3.31Å; W63-K65 PolarHBondContact O-N 3.44Å; K65-V86 HydrophobicContact CB-CG1 4.32Å |
| 66 | N | 94.4 | Very high | 90.3 | Very high | 49 Ų | 49 | 72.3 Ų | 72.3 | 26% | 0.262 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -8.9 | -179.4 | -72.2 | -49.1 | 0 | 0 | 0 | 112.7 | N62 W63 M64 R69 I70 | N62-N66 PolarHBondContact O-ND2 3.22Å; W63-N66 WeakPolarHBondContact O-CB 3.44Å; W63-N66 PolarHBondContact O-N 3.49Å; M64-N66 PolarHBondContact O-N 3.24Å; M64-N66 VanDerWaalsContact O-N 3.15Å; N66-R69 PolarHBondContact O-N 2.97Å; N66-R69 VanDerWaalsContact O-N 3.16Å; N66-I70 HydrophobicContact CB-CD1 4.37Å; N66-I70 WeakPolarHBondContact O-CG1 3.42Å; N66-I70 PolarHBondContact O-N 3.45Å |
| 67 | I | 95.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -52.8 | -46.2 | 179.9 | -71.5 | -179.2 | 0 | 0 | 0 | 112.5 | W63 M64 R69 I70 C71 Y82 F117 P118 L121 | W63-I67 HydrophobicContact CE3-CD1 4.08Å; W63-I67 HydrophobicContact CE3-CG1 4.26Å; W63-I67 HydrophobicContact CH2-CD1 4.48Å; W63-I67 HydrophobicContact CZ3-CD1 3.55Å; W63-I67 HydrophobicContact CZ3-CG1 4.19Å; M64-I67 WeakPolarHBondContact O-CB 3.5Å; M64-I67 WeakPolarHBondContact O-CG1 3.18Å; M64-I67 PolarHBondContact O-N 3.34Å; M64-I67 VanDerWaalsContact O-N 3.14Å; I67-R69 VanDerWaalsContact C-N 3.3Å; I67-R69 PolarHBondContact O-N 3.42Å; I67-I70 PolarHBondContact O-N 2.7Å; I67-I70 VanDerWaalsContact O-N 3.1Å; I67-C71 PolarHBondContact O-N 3.25Å; I67-C71 PolarHBondContact O-SG 2.84Å; I67-Y82 HydrophobicContact CB-CE1 3.81Å; I67-Y82 HydrophobicContact CD1-CE1 4.31Å; I67-Y82 VanDerWaalsContact CD1-OH 3.24Å; I67-Y82 WeakPolarHBondContact CD1-OH 3.28Å; I67-Y82 HydrophobicContact CG2-CD1 4.42Å; I67-Y82 HydrophobicContact CG2-CE1 3.82Å; I67-F117 HydrophobicContact CG2-CE1 3.74Å; I67-F117 HydrophobicContact CG2-CZ 4.39Å; I67-P118 HydrophobicContact CD1-CB 3.64Å; I67-L121 HydrophobicContact CB-CD2 4.17Å; I67-L121 HydrophobicContact CD1-CD2 3.99Å; I67-L121 HydrophobicContact CG1-CD2 3.84Å; I67-L121 HydrophobicContact CG2-CD2 3.47Å; I67-L121 VanDerWaalsContact CG2-CD2 3.47Å |
| 68 | P | 96.3 | Very high | 93.4 | Very high | 22 Ų | 22 | 63.8 Ų | 63.8 | 14% | 0.143 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.3 | -42.4 | 179.6 | -27.2 | 37.5 | 0 | 0 | 0 | 113 | I70 C71 E72 V78 Y82 L83 V86 | P68-I70 PolarHBondContact O-N 2.92Å; P68-C71 PolarHBondContact O-N 3.26Å; P68-E72 WeakPolarHBondContact O-CB 3.48Å; P68-E72 PolarHBondContact O-N 2.92Å; P68-V78 HydrophobicContact CB-CG2 4.44Å; P68-V78 HydrophobicContact CG-CG2 4.49Å; P68-Y82 HydrophobicContact CG-CE1 4.33Å; P68-L83 HydrophobicContact CB-CD1 3.86Å; P68-L83 HydrophobicContact CG-CD1 4Å; P68-V86 HydrophobicContact CG-CB 4.49Å; P68-V86 HydrophobicContact CG-CG1 4.32Å |
| 69 | R | 95.1 | Very high | 94.2 | Very high | 172 Ų | 172 | 62 Ų | 62 | 65% | 0.649 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -67.2 | -35.7 | 177.2 | -168 | -175.8 | 74.5 | 157.2 | 3.7 | 112.5 | N66 I67 K73 | N66-R69 PolarHBondContact O-N 2.97Å; N66-R69 VanDerWaalsContact O-N 3.16Å; I67-R69 VanDerWaalsContact C-N 3.3Å; I67-R69 PolarHBondContact O-N 3.42Å; R69-K73 WeakPolarHBondContact O-CB 3.47Å; R69-K73 PolarHBondContact O-N 2.7Å |
| 70 | I | 92.7 | Very high | 94.4 | Very high | 27 Ų | 27 | 65.6 Ų | 65.6 | 14% | 0.138 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.5 | -46.4 | 175.1 | -67.2 | 165.5 | 0 | 0 | 0 | 109.5 | N66 I67 P68 E72 K73 W74 L128 | N66-I70 HydrophobicContact CB-CD1 4.37Å; N66-I70 WeakPolarHBondContact O-CG1 3.42Å; N66-I70 PolarHBondContact O-N 3.45Å; I67-I70 PolarHBondContact O-N 2.7Å; I67-I70 VanDerWaalsContact O-N 3.1Å; P68-I70 PolarHBondContact O-N 2.92Å; I70-E72 PolarHBondContact O-N 3.03Å; I70-K73 PolarHBondContact O-N 3.39Å; I70-W74 HydrophobicContact CG2-CD2 3.81Å; I70-W74 HydrophobicContact CG2-CE3 3.64Å; I70-W74 HydrophobicContact CG2-CH2 4.02Å; I70-W74 HydrophobicContact CG2-CZ2 4.16Å; I70-W74 HydrophobicContact CG2-CZ3 3.75Å; I70-W74 WeakPolarHBondContact O-CB 3.39Å; I70-W74 PolarHBondContact O-N 3.21Å; I70-L128 HydrophobicContact CD1-CD2 4.36Å; I70-L128 HydrophobicContact CG2-CD1 4.17Å; I70-L128 HydrophobicContact CG2-CD2 4.47Å |
| 71 | C | 93.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 179.4 | -65.3 | 0 | 0 | 0 | 0 | 111.8 | I67 P68 W74 E75 T76 V78 | I67-C71 PolarHBondContact O-N 3.25Å; I67-C71 PolarHBondContact O-SG 2.84Å; P68-C71 PolarHBondContact O-N 3.26Å; C71-W74 CarbonylContact O-C 3.51Å; C71-W74 PolarHBondContact O-N 2.93Å; C71-E75 PolarHBondContact O-N 3.06Å; C71-T76 VanDerWaalsContact CA-OG1 3.26Å; C71-T76 WeakPolarHBondContact CA-OG1 3.47Å; C71-T76 WeakPolarHBondContact CB-O 3.12Å; C71-T76 PolarHBondContact O-N 3.3Å; C71-V78 HydrophobicContact CB-CB 4.05Å |
| 72 | E | 93.9 | Very high | 94.6 | Very high | 151 Ų | 151 | 67.6 Ų | 67.6 | 71% | 0.706 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -58.3 | -49.4 | 173.7 | -178.8 | -177.4 | -158.5 | 0 | 0 | 111.7 | P68 I70 W74 E75 | P68-E72 WeakPolarHBondContact O-CB 3.48Å; P68-E72 PolarHBondContact O-N 2.92Å; I70-E72 PolarHBondContact O-N 3.03Å; E72-W74 PolarHBondContact O-N 2.91Å; E72-E75 PolarHBondContact O-N 3Å |
| 73 | K | 93.7 | Very high | 94.9 | Very high | 173 Ų | 173 | 68.5 Ų | 68.5 | 75% | 0.752 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.7 | -33 | 179.3 | -178.1 | -178.2 | 175.7 | -174.4 | 0 | 112.9 | R69 I70 | R69-K73 WeakPolarHBondContact O-CB 3.47Å; R69-K73 PolarHBondContact O-N 2.7Å; I70-K73 PolarHBondContact O-N 3.39Å |
| 74 | W | 92 | Very high | 95.1 | Very high | 83 Ų | 83 | 73.8 Ų | 73.8 | 31% | 0.314 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 4.7 | -177.9 | -64.9 | -11.9 | 0 | 0 | 0 | 113.5 | I70 C71 E72 T76 N125 H127 L128 | I70-W74 HydrophobicContact CG2-CD2 3.81Å; I70-W74 HydrophobicContact CG2-CE3 3.64Å; I70-W74 HydrophobicContact CG2-CH2 4.02Å; I70-W74 HydrophobicContact CG2-CZ2 4.16Å; I70-W74 HydrophobicContact CG2-CZ3 3.75Å; I70-W74 WeakPolarHBondContact O-CB 3.39Å; I70-W74 PolarHBondContact O-N 3.21Å; C71-W74 CarbonylContact O-C 3.51Å; C71-W74 PolarHBondContact O-N 2.93Å; E72-W74 PolarHBondContact O-N 2.91Å; W74-T76 HydrophobicContact CB-CG2 3.99Å; W74-T76 PolarHBondContact O-N 2.85Å; W74-N125 HydrophobicContact CH2-CB 4.28Å; W74-N125 HydrophobicContact CZ3-CB 3.91Å; W74-N125 WeakPolarHBondContact CZ3-OD1 3.37Å; W74-H127 AromaticContact CH2-CE1 3.58Å; W74-H127 AromaticContact CH2-NE2 3.18Å; W74-H127 WeakPolarHBondContact CH2-NE2 3.5Å; W74-H127 AromaticContact CZ2-NE2 3.5Å; W74-H127 WeakPolarHBondContact CZ2-NE2 3.49Å; W74-L128 HydrophobicContact CH2-CD1 3.65Å; W74-L128 HydrophobicContact CH2-CD2 3.42Å; W74-L128 VanDerWaalsContact CH2-CD2 3.42Å; W74-L128 HydrophobicContact CH2-CG 3.53Å; W74-L128 HydrophobicContact CZ2-CD2 3.95Å; W74-L128 HydrophobicContact CZ3-CD1 3.66Å; W74-L128 HydrophobicContact CZ3-CD2 4.28Å; W74-L128 HydrophobicContact CZ3-CG 4.07Å |
| 75 | E | 92.5 | Very high | 95.2 | Very high | 190 Ų | 190 | 73.9 Ų | 73.9 | 89% | 0.888 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 33.6 | -177.2 | -56.7 | 178.9 | 178.9 | 0 | 0 | 112.5 | C71 E72 | C71-E75 PolarHBondContact O-N 3.06Å; E72-E75 PolarHBondContact O-N 3Å |
| 76 | T | 92.2 | Very high | 95.3 | Very high | 61 Ų | 61 | 70.9 Ų | 70.9 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | trans | -100.6 | 153.2 | 177.9 | 63.3 | 0 | 0 | 0 | 0 | 111.5 | C71 W74 V78 | C71-T76 VanDerWaalsContact CA-OG1 3.26Å; C71-T76 WeakPolarHBondContact CA-OG1 3.47Å; C71-T76 WeakPolarHBondContact CB-O 3.12Å; C71-T76 PolarHBondContact O-N 3.3Å; W74-T76 HydrophobicContact CB-CG2 3.99Å; W74-T76 PolarHBondContact O-N 2.85Å; T76-V78 PolarHBondContact O-N 2.69Å | ||
| 77 | F | 93.7 | Very high | 95.5 | Very high | 144 Ų | 144 | 71.5 Ų | 71.5 | 63% | 0.632 | 35% | 0.345 | S | S | * | . | trans | -60.4 | 133.7 | 178.1 | 174.7 | -104.4 | 0 | 0 | 0 | 112.7 | H79 | F77-H79 HydrophobicContact CE1-CB 4.07Å; F77-H79 HydrophobicContact CZ-CB 4.42Å | ||
| 78 | V | 95.9 | Very high | 95.5 | Very high | 38 Ų | 38 | 75.5 Ų | 75.5 | 23% | 0.23 | 36% | 0.36 | C | S | . | . | trans | -112.4 | 128.5 | 166.9 | 62.2 | 0 | 0 | 0 | 0 | 109.3 | P68 C71 T76 Y82 L83 F117 | P68-V78 HydrophobicContact CB-CG2 4.44Å; P68-V78 HydrophobicContact CG-CG2 4.49Å; C71-V78 HydrophobicContact CB-CB 4.05Å; T76-V78 PolarHBondContact O-N 2.69Å; V78-Y82 HydrophobicContact CG2-CD1 4.44Å; V78-L83 HydrophobicContact CG2-CB 4.32Å; V78-F117 HydrophobicContact CG2-CE1 4.38Å; V78-F117 HydrophobicContact CG2-CZ 4.27Å | ||
| 79 | H | 96 | Very high | 95.5 | Very high | 59 Ų | 59 | 74.5 Ų | 74.5 | 27% | 0.273 | 35% | 0.353 | S | S | . | . | trans | -64.8 | 128.7 | 179.4 | -166.9 | -81.8 | 0 | 0 | 0 | 110.7 | F77 S81 Y82 L83 T114 F117 | F77-H79 HydrophobicContact CE1-CB 4.07Å; F77-H79 HydrophobicContact CZ-CB 4.42Å; H79-S81 PolarHBondContact CE1-OG 3.13Å; H79-S81 VanDerWaalsContact CE1-OG 3.28Å; H79-S81 PolarHBondContact ND1-N 3.07Å; H79-S81 PolarHBondContact O-N 2.87Å; H79-Y82 WeakPolarHBondContact O-CB 3.33Å; H79-Y82 PolarHBondContact O-N 2.85Å; H79-L83 PolarHBondContact O-N 3.45Å; H79-T114 VanDerWaalsContact CE1-CG2 3.41Å; H79-T114 WeakPolarHBondContact CE1-CG2 3.16Å; H79-F117 HydrophobicContact CB-CD2 3.85Å; H79-F117 HydrophobicContact CB-CE2 4.01Å; H79-F117 HydrophobicContact CB-CG 4.17Å; H79-F117 HydrophobicContact CB-CZ 4.45Å | ||
| 80 | P | 96.8 | Very high | 95.4 | Very high | 85 Ų | 85 | 72.1 Ų | 72.1 | 55% | 0.552 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -56.2 | -44.4 | -176.8 | -28.2 | 35.1 | 0 | 0 | 0 | 113.8 | Y82 L83 E84 | P80-Y82 VanDerWaalsContact C-N 3.27Å; P80-Y82 PolarHBondContact O-N 2.96Å; P80-L83 PolarHBondContact O-N 3.28Å; P80-E84 PolarHBondContact O-N 3.31Å |
| 81 | S | 97.1 | Very high | 95.3 | Very high | 46 Ų | 46 | 78.6 Ų | 78.6 | 32% | 0.322 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.4 | -31.3 | 178 | -42.8 | 0 | 0 | 0 | 0 | 112.9 | H79 A85 | H79-S81 PolarHBondContact CE1-OG 3.13Å; H79-S81 VanDerWaalsContact CE1-OG 3.28Å; H79-S81 PolarHBondContact ND1-N 3.07Å; H79-S81 PolarHBondContact O-N 2.87Å; S81-A85 VanDerWaalsContact O-CB 3.31Å; S81-A85 WeakPolarHBondContact O-CB 3.33Å; S81-A85 PolarHBondContact O-N 3.42Å |
| 82 | Y | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -70.6 | -44.4 | 175.8 | -177.2 | -85 | 0 | 0 | 0 | 110.6 | M64 I67 P68 V78 H79 P80 E84 A85 V86 L109 F117 P118 | M64-Y82 VanDerWaalsContact C-OH 3.3Å; M64-Y82 WeakPolarHBondContact CB-OH 3.38Å; M64-Y82 PolarHBondContact O-OH 3.32Å; I67-Y82 HydrophobicContact CB-CE1 3.81Å; I67-Y82 HydrophobicContact CD1-CE1 4.31Å; I67-Y82 VanDerWaalsContact CD1-OH 3.24Å; I67-Y82 WeakPolarHBondContact CD1-OH 3.28Å; I67-Y82 HydrophobicContact CG2-CD1 4.42Å; I67-Y82 HydrophobicContact CG2-CE1 3.82Å; P68-Y82 HydrophobicContact CG-CE1 4.33Å; V78-Y82 HydrophobicContact CG2-CD1 4.44Å; H79-Y82 WeakPolarHBondContact O-CB 3.33Å; H79-Y82 PolarHBondContact O-N 2.85Å; P80-Y82 VanDerWaalsContact C-N 3.27Å; P80-Y82 PolarHBondContact O-N 2.96Å; Y82-E84 VanDerWaalsContact C-N 3.34Å; Y82-E84 PolarHBondContact O-N 2.97Å; Y82-A85 PolarHBondContact O-N 3.26Å; Y82-V86 HydrophobicContact CD1-CG2 3.99Å; Y82-V86 HydrophobicContact CE1-CG2 3.47Å; Y82-V86 VanDerWaalsContact CE1-CG2 3.47Å; Y82-V86 WeakPolarHBondContact O-CG2 3.48Å; Y82-V86 PolarHBondContact O-N 3.14Å; Y82-L109 HydrophobicContact CD2-CD1 3.85Å; Y82-L109 HydrophobicContact CD2-CD2 3.54Å; Y82-L109 HydrophobicContact CD2-CG 4.36Å; Y82-L109 HydrophobicContact CE2-CD1 3.73Å; Y82-L109 HydrophobicContact CE2-CD2 4.23Å; Y82-L109 HydrophobicContact CG-CD2 4.29Å; Y82-F117 AromaticContact CD1-CD1 3.9Å; Y82-F117 HydrophobicContact CD1-CD1 3.9Å; Y82-F117 AromaticContact CD1-CE1 3.75Å; Y82-F117 HydrophobicContact CD1-CE1 3.75Å; Y82-F117 HydrophobicContact CD2-CB 4.48Å; Y82-F117 AromaticContact CD2-CD1 3.49Å; Y82-F117 HydrophobicContact CD2-CD1 3.49Å; Y82-F117 VanDerWaalsContact CD2-CD1 3.49Å; Y82-F117 HydrophobicContact CD2-CE1 4.21Å; Y82-F117 HydrophobicContact CD2-CG 4.39Å; Y82-F117 HydrophobicContact CE1-CD1 4.39Å; Y82-F117 HydrophobicContact CE1-CE1 4.23Å; Y82-F117 HydrophobicContact CE2-CD1 4.02Å; Y82-F117 AromaticContact CG-CD1 3.44Å; Y82-F117 HydrophobicContact CG-CD1 3.44Å; Y82-F117 VanDerWaalsContact CG-CD1 3.44Å; Y82-F117 AromaticContact CG-CE1 3.77Å; Y82-F117 HydrophobicContact CG-CE1 3.77Å; Y82-F117 HydrophobicContact CG-CG 4.44Å; Y82-P118 HydrophobicContact CE2-CB 4.22Å; Y82-P118 HydrophobicContact CE2-CG 4.07Å |
| 83 | L | 97.8 | Very high | 94.9 | Very high | 60 Ų | 60 | 80.3 Ų | 80.3 | 31% | 0.314 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 175.4 | 175.5 | 60.1 | 0 | 0 | 0 | 111.3 | P68 V78 H79 P80 V86 N87 | P68-L83 HydrophobicContact CB-CD1 3.86Å; P68-L83 HydrophobicContact CG-CD1 4Å; V78-L83 HydrophobicContact CG2-CB 4.32Å; H79-L83 PolarHBondContact O-N 3.45Å; P80-L83 PolarHBondContact O-N 3.28Å; L83-V86 PolarHBondContact O-N 2.99Å; L83-N87 WeakPolarHBondContact O-CB 3.47Å; L83-N87 VanDerWaalsContact O-CG 3.28Å; L83-N87 PolarHBondContact O-N 3.18Å; L83-N87 PolarHBondContact O-ND2 3.33Å |
| 84 | E | 97.8 | Very high | 94.6 | Very high | 116 Ų | 116 | 72.1 Ų | 72.1 | 54% | 0.542 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 177.5 | -178.2 | 53.7 | -154 | 0 | 0 | 111.7 | P80 Y82 V86 N87 R88 | P80-E84 PolarHBondContact O-N 3.31Å; Y82-E84 VanDerWaalsContact C-N 3.34Å; Y82-E84 PolarHBondContact O-N 2.97Å; E84-V86 PolarHBondContact O-N 3.11Å; E84-N87 PolarHBondContact O-N 3.46Å; E84-R88 WeakPolarHBondContact O-CB 3.49Å; E84-R88 PolarHBondContact O-N 3.4Å |
| 85 | A | 98.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 68.2 Ų | 68.2 | 2% | 0.017 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S81 Y82 N87 R88 V89 L105 M108 L109 | S81-A85 VanDerWaalsContact O-CB 3.31Å; S81-A85 WeakPolarHBondContact O-CB 3.33Å; S81-A85 PolarHBondContact O-N 3.42Å; Y82-A85 PolarHBondContact O-N 3.26Å; A85-N87 VanDerWaalsContact C-N 3.33Å; A85-N87 PolarHBondContact O-N 3.09Å; A85-R88 PolarHBondContact O-N 3.29Å; A85-V89 WeakPolarHBondContact O-CB 3.23Å; A85-V89 WeakPolarHBondContact O-CG2 3.35Å; A85-V89 PolarHBondContact O-N 3.26Å; A85-L105 HydrophobicContact CB-CD1 3.84Å; A85-M108 HydrophobicContact CB-CB 3.83Å; A85-M108 HydrophobicContact CB-CE 3.99Å; A85-M108 HydrophobicContact CB-SD 4.15Å; A85-L109 HydrophobicContact CB-CD2 3.97Å |
| 86 | V | 98.2 | Very high | 94.5 | Very high | 8 Ų | 8 | 62.6 Ų | 62.6 | 5% | 0.048 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 176.5 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | W61 K65 P68 Y82 L83 E84 H90 L105 | W61-V86 HydrophobicContact CH2-CG1 4.15Å; K65-V86 HydrophobicContact CB-CG1 4.32Å; P68-V86 HydrophobicContact CG-CB 4.49Å; P68-V86 HydrophobicContact CG-CG1 4.32Å; Y82-V86 HydrophobicContact CD1-CG2 3.99Å; Y82-V86 HydrophobicContact CE1-CG2 3.47Å; Y82-V86 VanDerWaalsContact CE1-CG2 3.47Å; Y82-V86 WeakPolarHBondContact O-CG2 3.48Å; Y82-V86 PolarHBondContact O-N 3.14Å; L83-V86 PolarHBondContact O-N 2.99Å; E84-V86 PolarHBondContact O-N 3.11Å; V86-H90 VanDerWaalsContact O-CB 3.27Å; V86-H90 WeakPolarHBondContact O-CB 3.36Å; V86-H90 PolarHBondContact O-N 3.25Å; V86-L105 HydrophobicContact CG2-CD1 4.05Å |
| 87 | N | 97.1 | Very high | 94.5 | Very high | 62 Ų | 62 | 62.3 Ų | 62.3 | 33% | 0.332 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 179.4 | -75.3 | -26.3 | 0 | 0 | 0 | 112.3 | L83 E84 A85 H90 K91 | L83-N87 WeakPolarHBondContact O-CB 3.47Å; L83-N87 VanDerWaalsContact O-CG 3.28Å; L83-N87 PolarHBondContact O-N 3.18Å; L83-N87 PolarHBondContact O-ND2 3.33Å; E84-N87 PolarHBondContact O-N 3.46Å; A85-N87 VanDerWaalsContact C-N 3.33Å; A85-N87 PolarHBondContact O-N 3.09Å; N87-H90 PolarHBondContact O-N 3.36Å; N87-K91 WeakPolarHBondContact O-CG 3.32Å; N87-K91 PolarHBondContact O-N 3.26Å; N87-K91 VanDerWaalsContact O-N 3.07Å |
| 88 | R | 95.5 | Very high | 94.5 | Very high | 86 Ų | 86 | 56.7 Ų | 56.7 | 33% | 0.325 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 177.4 | -176.9 | 159 | 167.6 | -164.9 | 5.9 | 111.3 | E84 A85 H90 K91 C92 M108 D166 | E84-R88 WeakPolarHBondContact O-CB 3.49Å; E84-R88 PolarHBondContact O-N 3.4Å; A85-R88 PolarHBondContact O-N 3.29Å; R88-H90 VanDerWaalsContact C-N 3.3Å; R88-H90 PolarHBondContact O-N 3.24Å; R88-K91 PolarHBondContact O-N 2.97Å; R88-C92 WeakPolarHBondContact O-CB 3.23Å; R88-C92 PolarHBondContact O-N 2.96Å; R88-M108 HydrophobicContact CB-CE 3.76Å; R88-M108 HydrophobicContact CB-SD 4.03Å; R88-M108 HydrophobicContact CG-CE 3.92Å; R88-M108 HydrophobicContact CG-SD 4.08Å; R88-D166 IonicContact CZ-OD1 2.65Å; R88-D166 IonicContact NH2-OD1 3.09Å; R88-D166 PolarHBondContact NH2-OD1 3.23Å; R88-D166 IonicContact NH2-OD2 2.74Å; R88-D166 PolarHBondContact NH2-OD2 3.46Å |
| 89 | V | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.5 | -39.9 | 175 | 176 | 0 | 0 | 0 | 0 | 111.5 | W61 A85 K91 C92 R101 L104 L105 M108 | W61-V89 HydrophobicContact CD2-CG1 4.42Å; W61-V89 HydrophobicContact CE3-CG1 4.14Å; W61-V89 HydrophobicContact CH2-CB 3.73Å; W61-V89 HydrophobicContact CH2-CG1 3.42Å; W61-V89 VanDerWaalsContact CH2-CG1 3.42Å; W61-V89 HydrophobicContact CZ2-CB 4.4Å; W61-V89 HydrophobicContact CZ2-CG1 3.73Å; W61-V89 HydrophobicContact CZ3-CB 4.03Å; W61-V89 HydrophobicContact CZ3-CG1 3.64Å; A85-V89 WeakPolarHBondContact O-CB 3.23Å; A85-V89 WeakPolarHBondContact O-CG2 3.35Å; A85-V89 PolarHBondContact O-N 3.26Å; V89-K91 VanDerWaalsContact C-N 3.32Å; V89-K91 PolarHBondContact O-N 3.09Å; V89-C92 PolarHBondContact O-N 3.39Å; V89-R101 HydrophobicContact CG1-CB 3.68Å; V89-R101 HydrophobicContact CG1-CG 3.94Å; V89-R101 WeakPolarHBondContact CG1-O 3.48Å; V89-L104 HydrophobicContact CG2-CB 4.23Å; V89-L104 HydrophobicContact CG2-CD2 4.09Å; V89-L104 HydrophobicContact CG2-CG 3.88Å; V89-L105 HydrophobicContact CG2-CB 4.05Å; V89-L105 HydrophobicContact CG2-CD1 4.38Å; V89-M108 HydrophobicContact CG2-SD 3.85Å |
| 90 | H | 93.7 | Very high | 94.5 | Very high | 123 Ų | 123 | 53.9 Ų | 53.9 | 57% | 0.569 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.3 | -37 | 179.1 | -169 | 75.3 | 0 | 0 | 0 | 112.7 | V86 N87 R88 | V86-H90 VanDerWaalsContact O-CB 3.27Å; V86-H90 WeakPolarHBondContact O-CB 3.36Å; V86-H90 PolarHBondContact O-N 3.25Å; N87-H90 PolarHBondContact O-N 3.36Å; R88-H90 VanDerWaalsContact C-N 3.3Å; R88-H90 PolarHBondContact O-N 3.24Å |
| 91 | K | 90.9 | Very high | 94.5 | Very high | 162 Ų | 162 | 53.2 Ų | 53.2 | 70% | 0.704 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -82.3 | -18.9 | 178.3 | -67.6 | 172.7 | -176.4 | 175.5 | 0 | 113.2 | N87 R88 V89 R93 | N87-K91 WeakPolarHBondContact O-CG 3.32Å; N87-K91 PolarHBondContact O-N 3.26Å; N87-K91 VanDerWaalsContact O-N 3.07Å; R88-K91 PolarHBondContact O-N 2.97Å; V89-K91 VanDerWaalsContact C-N 3.32Å; V89-K91 PolarHBondContact O-N 3.09Å; K91-R93 PolarHBondContact O-N 3.27Å |
| 92 | C | 90.8 | Very high | 94.5 | Very high | 12 Ų | 12 | 51 Ų | 51 | 8% | 0.081 | 24% | 0.241 | C | C | . | . | trans | -68.5 | 120.4 | -178 | -158.8 | 0 | 0 | 0 | 0 | 111.3 | R88 V89 S94 V95 L104 | R88-C92 WeakPolarHBondContact O-CB 3.23Å; R88-C92 PolarHBondContact O-N 2.96Å; V89-C92 PolarHBondContact O-N 3.39Å; C92-S94 PolarHBondContact SG-OG 2.9Å; C92-V95 HydrophobicContact CB-CG2 3.97Å; C92-L104 HydrophobicContact CB-CD2 3.96Å | ||
| 93 | R | 87.1 | Confident | 94.5 | Very high | 176 Ų | 176 | 51.9 Ų | 51.9 | 66% | 0.664 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -94 | -18.3 | -178.8 | -65.4 | -173.3 | -179.3 | -176.3 | 0.4 | 114 | K91 V95 | K91-R93 PolarHBondContact O-N 3.27Å; R93-V95 VanDerWaalsContact C-N 3.29Å; R93-V95 PolarHBondContact O-N 2.76Å |
| 94 | S | 87.6 | Confident | 94.5 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.014 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -69.7 | -23.3 | 177.1 | 52.9 | 0 | 0 | 0 | 0 | 114 | C92 T168 H234 | C92-S94 PolarHBondContact SG-OG 2.9Å; S94-T168 WeakPolarHBondContact CB-OG1 3.43Å; S94-T168 WeakPolarHBondContact OG-CB 3.05Å; S94-T168 PolarHBondContact OG-OG1 2.86Å; S94-H234 PolarHBondContact O-CE1 3.4Å; S94-H234 VanDerWaalsContact O-CE1 3.31Å; S94-H234 PolarHBondContact O-ND1 3.32Å |
| 95 | V | 92.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -106.5 | 109.2 | 174.5 | -72.5 | 0 | 0 | 0 | 0 | 110.1 | C92 R93 R101 L104 L171 | C92-V95 HydrophobicContact CB-CG2 3.97Å; R93-V95 VanDerWaalsContact C-N 3.29Å; R93-V95 PolarHBondContact O-N 2.76Å; V95-R101 HydrophobicContact CB-CG 4.17Å; V95-R101 HydrophobicContact CG2-CG 3.74Å; V95-R101 PolarHBondContact O-NE 2.94Å; V95-L104 HydrophobicContact CG2-CB 4.5Å; V95-L104 HydrophobicContact CG2-CD2 3.75Å; V95-L171 HydrophobicContact CG1-CB 3.8Å; V95-L171 HydrophobicContact CG1-CD1 4.23Å | ||
| 96 | T | 90.6 | Very high | 94.5 | Very high | 73 Ų | 73 | 43.6 Ų | 43.6 | 45% | 0.448 | 20% | 0.203 | S | C | . | . | trans | -99.1 | -32.6 | -168.3 | 66.5 | 0 | 0 | 0 | 0 | 112.3 | D172 | T96-D172 PolarHBondContact N-OD1 2.88Å; T96-D172 PolarHBondContact N-OD2 3.42Å; T96-D172 PolarHBondContact OG1-OD2 3.29Å | ||
| 97 | T | 92.9 | Very high | 94.5 | Very high | 55 Ų | 55 | 43.4 Ų | 43.4 | 34% | 0.337 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -83 | 157.5 | -178.6 | 75.1 | 0 | 0 | 0 | 0 | 111.5 | Q99 G100 R101 D172 | T97-Q99 PolarHBondContact O-N 2.89Å; T97-Q99 PolarHBondContact OG1-N 3.38Å; T97-G100 PolarHBondContact OG1-N 2.75Å; T97-R101 WeakPolarHBondContact O-CB 3.26Å; T97-R101 WeakPolarHBondContact O-CG 2.98Å; T97-R101 PolarHBondContact O-N 3.23Å; T97-R101 VanDerWaalsContact O-N 3.16Å; T97-D172 WeakPolarHBondContact CA-OD1 3.43Å; T97-D172 VanDerWaalsContact CB-OD1 3.23Å; T97-D172 WeakPolarHBondContact CB-OD1 3.41Å; T97-D172 HydrophobicContact CG2-CB 3.92Å; T97-D172 WeakPolarHBondContact CG2-OD1 3.3Å; T97-D172 PolarHBondContact N-OD1 3.17Å; T97-D172 PolarHBondContact OG1-OD1 3.22Å |
| 98 | A | 94 | Very high | 94.6 | Very high | 26 Ų | 26 | 41.3 Ų | 41.3 | 22% | 0.215 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.9 | -33.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D59 W61 G102 | D59-A98 HydrophobicContact CB-CB 3.84Å; W61-A98 WeakPolarHBondContact CB-O 3.39Å; A98-G102 PolarHBondContact O-N 3.33Å |
| 99 | Q | 94.8 | Very high | 94.7 | Very high | 38 Ų | 38 | 37.2 Ų | 37.2 | 18% | 0.178 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.1 | -53.6 | 177.8 | -170 | 177.1 | -10.6 | 0 | 0 | 111.3 | E41 R45 Y60 T97 R101 G102 R103 | E41-Q99 WeakPolarHBondContact OE1-CG 3.15Å; E41-Q99 PolarHBondContact OE1-NE2 2.98Å; E41-Q99 PolarHBondContact OE2-NE2 3.39Å; R45-Q99 VanDerWaalsContact NH2-OE1 3.11Å; Y60-Q99 PolarHBondContact OH-O 2.99Å; T97-Q99 PolarHBondContact O-N 2.89Å; T97-Q99 PolarHBondContact OG1-N 3.38Å; Q99-R101 VanDerWaalsContact C-N 3.3Å; Q99-R101 PolarHBondContact O-N 3.48Å; Q99-G102 CarbonylContact O-C 3.48Å; Q99-G102 VanDerWaalsContact O-CA 3.3Å; Q99-G102 WeakPolarHBondContact O-CA 3.43Å; Q99-G102 PolarHBondContact O-N 3.39Å; Q99-R103 WeakPolarHBondContact O-CG 3.3Å; Q99-R103 PolarHBondContact O-N 2.94Å |
| 100 | G | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.1 | -36.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T97 G102 R103 L104 L171 D172 | T97-G100 PolarHBondContact OG1-N 2.75Å; G100-G102 VanDerWaalsContact C-N 3.34Å; G100-G102 PolarHBondContact O-N 2.8Å; G100-R103 PolarHBondContact O-N 3.47Å; G100-L104 PolarHBondContact O-N 3.45Å; G100-L171 VanDerWaalsContact CA-O 3.29Å; G100-L171 WeakPolarHBondContact CA-O 3.32Å; G100-D172 WeakPolarHBondContact CA-OD1 3.44Å |
| 101 | R | 97 | Very high | 95 | Very high | 71 Ų | 71 | 34.3 Ų | 34.3 | 27% | 0.268 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.1 | -40.7 | 169.4 | -75.9 | -178.2 | 174.8 | 137.3 | -4 | 112.9 | W61 V89 V95 T97 Q99 R103 L104 L105 | W61-R101 HydrophobicContact CD2-CB 3.89Å; W61-R101 HydrophobicContact CG-CB 3.81Å; W61-R101 VanDerWaalsContact NE1-CD 3.34Å; V89-R101 HydrophobicContact CG1-CB 3.68Å; V89-R101 HydrophobicContact CG1-CG 3.94Å; V89-R101 WeakPolarHBondContact CG1-O 3.48Å; V95-R101 HydrophobicContact CB-CG 4.17Å; V95-R101 HydrophobicContact CG2-CG 3.74Å; V95-R101 PolarHBondContact O-NE 2.94Å; T97-R101 WeakPolarHBondContact O-CB 3.26Å; T97-R101 WeakPolarHBondContact O-CG 2.98Å; T97-R101 PolarHBondContact O-N 3.23Å; T97-R101 VanDerWaalsContact O-N 3.16Å; Q99-R101 VanDerWaalsContact C-N 3.3Å; Q99-R101 PolarHBondContact O-N 3.48Å; R101-R103 VanDerWaalsContact C-N 3.34Å; R101-L104 PolarHBondContact O-N 3.23Å; R101-L105 WeakPolarHBondContact O-CB 3.35Å; R101-L105 PolarHBondContact O-N 3.32Å |
| 102 | G | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.3 | -43.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y60 A98 Q99 G100 L105 I106 | Y60-G102 VanDerWaalsContact CE2-C 3.48Å; A98-G102 PolarHBondContact O-N 3.33Å; Q99-G102 CarbonylContact O-C 3.48Å; Q99-G102 VanDerWaalsContact O-CA 3.3Å; Q99-G102 WeakPolarHBondContact O-CA 3.43Å; Q99-G102 PolarHBondContact O-N 3.39Å; G100-G102 VanDerWaalsContact C-N 3.34Å; G100-G102 PolarHBondContact O-N 2.8Å; G102-L105 WeakPolarHBondContact O-CB 3.44Å; G102-L105 PolarHBondContact O-N 2.87Å; G102-I106 WeakPolarHBondContact O-CG1 3.35Å; G102-I106 PolarHBondContact O-N 3.3Å |
| 103 | R | 97.9 | Very high | 95.7 | Very high | 17 Ų | 17 | 29.5 Ų | 29.5 | 6% | 0.064 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.1 | -44.5 | 176.7 | -63 | -178.9 | 174.3 | 154.2 | -14.6 | 112.2 | E41 Y60 Q99 G100 R101 L105 I106 R107 L171 D172 E173 W175 | E41-R103 IonicContact OE1-CZ 3.76Å; E41-R103 IonicContact OE1-NE 2.72Å; E41-R103 PolarHBondContact OE1-NE 3.36Å; E41-R103 IonicContact OE2-CZ 3.26Å; E41-R103 IonicContact OE2-NE 3.34Å; E41-R103 PolarHBondContact OE2-NE 3Å; E41-R103 IonicContact OE2-NH2 3.89Å; E41-R103 PolarHBondContact OE2-NH2 3.2Å; Y60-R103 WeakPolarHBondContact OH-CG 3.46Å; Y60-R103 PolarHBondContact OH-N 3.34Å; Q99-R103 WeakPolarHBondContact O-CG 3.3Å; Q99-R103 PolarHBondContact O-N 2.94Å; G100-R103 PolarHBondContact O-N 3.47Å; R101-R103 VanDerWaalsContact C-N 3.34Å; R103-L105 VanDerWaalsContact C-N 3.32Å; R103-L105 PolarHBondContact O-N 3.03Å; R103-I106 PolarHBondContact O-N 2.89Å; R103-R107 WeakPolarHBondContact O-CG 3.09Å; R103-R107 PolarHBondContact O-N 3.05Å; R103-L171 HydrophobicContact CB-CD2 4.18Å; R103-L171 VanDerWaalsContact CD-O 3.24Å; R103-L171 WeakPolarHBondContact CD-O 3.24Å; R103-L171 PolarHBondContact NH1-O 3.18Å; R103-D172 PolarHBondContact NH1-O 2.94Å; R103-E173 PolarHBondContact NH1-O 3.28Å; R103-E173 PolarHBondContact NH2-O 3.22Å; R103-W175 HydrophobicContact CB-CH2 3.6Å; R103-W175 HydrophobicContact CB-CZ2 3.58Å; R103-W175 HydrophobicContact CB-CZ3 4.09Å; R103-W175 HydrophobicContact CG-CD2 4.29Å; R103-W175 HydrophobicContact CG-CH2 4Å; R103-W175 HydrophobicContact CG-CZ2 3.42Å; R103-W175 VanDerWaalsContact CG-CZ2 3.42Å; R103-W175 WeakPolarHBondContact O-CH2 3.06Å |
| 104 | L | 97.8 | Very high | 96.2 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60 | -43.4 | 174.2 | -176.7 | 56.4 | 0 | 0 | 0 | 111.4 | V89 C92 V95 G100 R101 I106 R107 M108 T168 L171 | V89-L104 HydrophobicContact CG2-CB 4.23Å; V89-L104 HydrophobicContact CG2-CD2 4.09Å; V89-L104 HydrophobicContact CG2-CG 3.88Å; C92-L104 HydrophobicContact CB-CD2 3.96Å; V95-L104 HydrophobicContact CG2-CB 4.5Å; V95-L104 HydrophobicContact CG2-CD2 3.75Å; G100-L104 PolarHBondContact O-N 3.45Å; R101-L104 PolarHBondContact O-N 3.23Å; L104-I106 PolarHBondContact O-N 3.01Å; L104-R107 PolarHBondContact O-N 3.49Å; L104-M108 HydrophobicContact CD1-CG 4.42Å; L104-M108 WeakPolarHBondContact O-CG 3.29Å; L104-M108 PolarHBondContact O-N 3.5Å; L104-T168 HydrophobicContact CD1-CG2 3.75Å; L104-T168 HydrophobicContact CD2-CG2 4.05Å; L104-L171 HydrophobicContact CB-CD1 4.06Å; L104-L171 HydrophobicContact CD1-CD1 4.08Å |
| 105 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.3 | -48.3 | 174.9 | -179.3 | 66.6 | 0 | 0 | 0 | 111.1 | W61 M64 A85 V86 V89 R101 G102 R103 R107 M108 L109 | W61-L105 HydrophobicContact CE3-CB 4.33Å; W61-L105 HydrophobicContact CE3-CD2 3.9Å; W61-L105 HydrophobicContact CZ3-CB 4.3Å; W61-L105 HydrophobicContact CZ3-CD1 4.45Å; W61-L105 HydrophobicContact CZ3-CD2 3.9Å; W61-L105 HydrophobicContact CZ3-CG 4.44Å; M64-L105 HydrophobicContact CB-CD2 3.79Å; M64-L105 HydrophobicContact CG-CD2 4.38Å; M64-L105 HydrophobicContact SD-CD2 3.8Å; A85-L105 HydrophobicContact CB-CD1 3.84Å; V86-L105 HydrophobicContact CG2-CD1 4.05Å; V89-L105 HydrophobicContact CG2-CB 4.05Å; V89-L105 HydrophobicContact CG2-CD1 4.38Å; R101-L105 WeakPolarHBondContact O-CB 3.35Å; R101-L105 PolarHBondContact O-N 3.32Å; G102-L105 WeakPolarHBondContact O-CB 3.44Å; G102-L105 PolarHBondContact O-N 2.87Å; R103-L105 VanDerWaalsContact C-N 3.32Å; R103-L105 PolarHBondContact O-N 3.03Å; L105-R107 VanDerWaalsContact C-N 3.33Å; L105-R107 PolarHBondContact O-N 2.87Å; L105-M108 PolarHBondContact O-N 3.26Å; L105-L109 HydrophobicContact CD1-CD1 4.02Å; L105-L109 HydrophobicContact CD1-CD2 4.35Å; L105-L109 HydrophobicContact CD1-CG 3.99Å; L105-L109 HydrophobicContact CD2-CD1 4.31Å; L105-L109 HydrophobicContact CG-CD1 3.82Å; L105-L109 HydrophobicContact CG-CG 4.16Å; L105-L109 WeakPolarHBondContact O-CB 3.24Å; L105-L109 VanDerWaalsContact O-CG 3.26Å; L105-L109 WeakPolarHBondContact O-CG 3.27Å; L105-L109 PolarHBondContact O-N 2.86Å |
| 106 | I | 98.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56 | -47.5 | 177.6 | -71.1 | 164 | 0 | 0 | 0 | 110.6 | V40 E41 L44 Y60 G102 R103 L104 M108 L109 L110 L115 W175 | V40-I106 HydrophobicContact CG1-CD1 4.23Å; E41-I106 HydrophobicContact CB-CD1 4.38Å; L44-I106 HydrophobicContact CD1-CD1 3.85Å; L44-I106 HydrophobicContact CD1-CG1 4.3Å; Y60-I106 HydrophobicContact CE2-CD1 3.71Å; Y60-I106 HydrophobicContact CE2-CG1 4.41Å; G102-I106 WeakPolarHBondContact O-CG1 3.35Å; G102-I106 PolarHBondContact O-N 3.3Å; R103-I106 PolarHBondContact O-N 2.89Å; L104-I106 PolarHBondContact O-N 3.01Å; I106-M108 VanDerWaalsContact C-N 3.35Å; I106-M108 PolarHBondContact O-N 3.27Å; I106-L109 PolarHBondContact O-N 3.01Å; I106-L110 HydrophobicContact CG2-CD1 3.92Å; I106-L110 HydrophobicContact CG2-CG 4.31Å; I106-L110 WeakPolarHBondContact O-CG 3.32Å; I106-L110 PolarHBondContact O-N 3.35Å; I106-L115 HydrophobicContact CG1-CD1 4.34Å; I106-W175 HydrophobicContact CB-CH2 3.92Å; I106-W175 HydrophobicContact CB-CZ2 4.39Å; I106-W175 HydrophobicContact CD1-CH2 4.39Å; I106-W175 HydrophobicContact CD1-CZ2 4Å; I106-W175 HydrophobicContact CG2-CH2 3.81Å; I106-W175 HydrophobicContact CG2-CZ2 4.31Å |
| 107 | R | 98.1 | Very high | 97.2 | Very high | 4 Ų | 4 | 20.4 Ų | 20.4 | 2% | 0.015 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.6 | -46.1 | 177.3 | -68.4 | 174.1 | 59.8 | 71.1 | 3 | 112.1 | D28 R103 L104 L105 L109 L110 N111 L163 N164 W175 L177 | D28-R107 VanDerWaalsContact CG-NH2 3.3Å; D28-R107 IonicContact OD1-CZ 4Å; D28-R107 IonicContact OD1-NH1 3.33Å; D28-R107 PolarHBondContact OD1-NH1 2.92Å; D28-R107 IonicContact OD1-NH2 3.23Å; D28-R107 PolarHBondContact OD1-NH2 2.85Å; D28-R107 IonicContact OD2-NH2 2.86Å; D28-R107 PolarHBondContact OD2-NH2 2.61Å; R103-R107 WeakPolarHBondContact O-CG 3.09Å; R103-R107 PolarHBondContact O-N 3.05Å; L104-R107 PolarHBondContact O-N 3.49Å; L105-R107 VanDerWaalsContact C-N 3.33Å; L105-R107 PolarHBondContact O-N 2.87Å; R107-L109 VanDerWaalsContact C-N 3.34Å; R107-L109 PolarHBondContact O-N 3.03Å; R107-L110 PolarHBondContact O-N 2.85Å; R107-N111 WeakPolarHBondContact O-CB 3.32Å; R107-N111 PolarHBondContact O-N 3.1Å; R107-L163 HydrophobicContact CB-CD1 4.31Å; R107-N164 PolarHBondContact NH2-O 2.84Å; R107-W175 HydrophobicContact CG-CH2 4.19Å; R107-W175 HydrophobicContact CG-CZ3 3.64Å; R107-L177 VanDerWaalsContact CZ-CD1 3.42Å |
| 108 | M | 98.4 | Very high | 97.3 | Very high | 18 Ų | 18 | 17.8 Ų | 17.8 | 9% | 0.089 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.5 | -38 | 178.7 | -69.4 | -169.7 | 74.6 | 0 | 0 | 112.9 | A85 R88 V89 L104 L105 I106 N111 S112 V165 | A85-M108 HydrophobicContact CB-CB 3.83Å; A85-M108 HydrophobicContact CB-CE 3.99Å; A85-M108 HydrophobicContact CB-SD 4.15Å; R88-M108 HydrophobicContact CB-CE 3.76Å; R88-M108 HydrophobicContact CB-SD 4.03Å; R88-M108 HydrophobicContact CG-CE 3.92Å; R88-M108 HydrophobicContact CG-SD 4.08Å; V89-M108 HydrophobicContact CG2-SD 3.85Å; L104-M108 HydrophobicContact CD1-CG 4.42Å; L104-M108 WeakPolarHBondContact O-CG 3.29Å; L104-M108 PolarHBondContact O-N 3.5Å; L105-M108 PolarHBondContact O-N 3.26Å; I106-M108 VanDerWaalsContact C-N 3.35Å; I106-M108 PolarHBondContact O-N 3.27Å; M108-N111 PolarHBondContact O-N 3.15Å; M108-S112 PolarHBondContact O-N 3.31Å; M108-S112 VanDerWaalsContact O-N 3.1Å; M108-S112 PolarHBondContact O-OG 3.16Å; M108-V165 HydrophobicContact CG-CB 4.27Å; M108-V165 HydrophobicContact CG-CG1 4.04Å |
| 109 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -75 | -33.1 | 179.3 | -65 | -179.1 | 0 | 0 | 0 | 112.4 | Y82 A85 L105 I106 R107 S112 G113 T114 L115 | Y82-L109 HydrophobicContact CD2-CD1 3.85Å; Y82-L109 HydrophobicContact CD2-CD2 3.54Å; Y82-L109 HydrophobicContact CD2-CG 4.36Å; Y82-L109 HydrophobicContact CE2-CD1 3.73Å; Y82-L109 HydrophobicContact CE2-CD2 4.23Å; Y82-L109 HydrophobicContact CG-CD2 4.29Å; A85-L109 HydrophobicContact CB-CD2 3.97Å; L105-L109 HydrophobicContact CD1-CD1 4.02Å; L105-L109 HydrophobicContact CD1-CD2 4.35Å; L105-L109 HydrophobicContact CD1-CG 3.99Å; L105-L109 HydrophobicContact CD2-CD1 4.31Å; L105-L109 HydrophobicContact CG-CD1 3.82Å; L105-L109 HydrophobicContact CG-CG 4.16Å; L105-L109 WeakPolarHBondContact O-CB 3.24Å; L105-L109 VanDerWaalsContact O-CG 3.26Å; L105-L109 WeakPolarHBondContact O-CG 3.27Å; L105-L109 PolarHBondContact O-N 2.86Å; I106-L109 PolarHBondContact O-N 3.01Å; R107-L109 VanDerWaalsContact C-N 3.34Å; R107-L109 PolarHBondContact O-N 3.03Å; L109-S112 WeakPolarHBondContact CA-OG 3.46Å; L109-S112 PolarHBondContact O-OG 2.99Å; L109-G113 PolarHBondContact O-N 3.5Å; L109-T114 WeakPolarHBondContact CD2-OG1 3.34Å; L109-T114 PolarHBondContact O-N 3.25Å; L109-L115 HydrophobicContact CB-CB 3.92Å; L109-L115 HydrophobicContact CB-CD1 4.03Å; L109-L115 HydrophobicContact CD1-CD1 4.04Å; L109-L115 PolarHBondContact O-N 2.97Å |
| 110 | L | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.5 | -50.2 | 168.7 | -72 | 171.9 | 0 | 0 | 0 | 110.4 | L33 I106 R107 S112 G113 L115 V156 F161 L163 | L33-L110 HydrophobicContact CD1-CD1 4.47Å; I106-L110 HydrophobicContact CG2-CD1 3.92Å; I106-L110 HydrophobicContact CG2-CG 4.31Å; I106-L110 WeakPolarHBondContact O-CG 3.32Å; I106-L110 PolarHBondContact O-N 3.35Å; R107-L110 PolarHBondContact O-N 2.85Å; L110-S112 PolarHBondContact O-N 3.1Å; L110-S112 VanDerWaalsContact O-N 3.15Å; L110-G113 PolarHBondContact O-N 2.82Å; L110-L115 HydrophobicContact CD2-CD2 3.57Å; L110-L115 HydrophobicContact CG-CD2 4.08Å; L110-V156 HydrophobicContact CD2-CG1 3.52Å; L110-F161 HydrophobicContact CB-CD1 4.2Å; L110-F161 HydrophobicContact CB-CD2 4.15Å; L110-F161 HydrophobicContact CB-CE1 4.42Å; L110-F161 HydrophobicContact CB-CE2 4.38Å; L110-F161 HydrophobicContact CB-CG 4.08Å; L110-F161 HydrophobicContact CD1-CE1 4.43Å; L110-F161 HydrophobicContact CD2-CD2 4.48Å; L110-F161 HydrophobicContact CD2-CE1 4.33Å; L110-F161 HydrophobicContact CD2-CE2 3.9Å; L110-F161 HydrophobicContact CD2-CZ 3.83Å; L110-F161 WeakPolarHBondContact O-CD2 3.36Å; L110-L163 HydrophobicContact CB-CD1 4.17Å |
| 111 | N | 97.8 | Very high | 97.2 | Very high | 60 Ų | 60 | 19.9 Ų | 19.9 | 32% | 0.321 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -61.2 | -26.1 | -179.6 | -159.4 | 67.2 | 0 | 0 | 0 | 113.9 | R107 M108 F161 N162 L163 V165 | R107-N111 WeakPolarHBondContact O-CB 3.32Å; R107-N111 PolarHBondContact O-N 3.1Å; M108-N111 PolarHBondContact O-N 3.15Å; N111-F161 PolarHBondContact OD1-O 3.19Å; N111-N162 WeakPolarHBondContact OD1-CA 3.48Å; N111-L163 PolarHBondContact OD1-N 3.29Å; N111-V165 HydrophobicContact CB-CG1 4.21Å |
| 112 | S | 97.5 | Very high | 97 | Very high | 48 Ų | 48 | 16.6 Ų | 16.6 | 34% | 0.336 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -3.7 | 177.1 | 56.6 | 0 | 0 | 0 | 0 | 114.1 | M108 L109 L110 T114 | M108-S112 PolarHBondContact O-N 3.31Å; M108-S112 VanDerWaalsContact O-N 3.1Å; M108-S112 PolarHBondContact O-OG 3.16Å; L109-S112 WeakPolarHBondContact CA-OG 3.46Å; L109-S112 PolarHBondContact O-OG 2.99Å; L110-S112 PolarHBondContact O-N 3.1Å; L110-S112 VanDerWaalsContact O-N 3.15Å; S112-T114 VanDerWaalsContact C-N 3.34Å; S112-T114 PolarHBondContact O-N 2.84Å; S112-T114 PolarHBondContact OG-OG1 3.5Å |
| 113 | G | 97.5 | Very high | 96.7 | Very high | 25 Ų | 25 | 18.8 Ų | 18.8 | 26% | 0.258 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 31.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L109 L110 | L109-G113 PolarHBondContact O-N 3.5Å; L110-G113 PolarHBondContact O-N 2.82Å |
| 114 | T | 97.6 | Very high | 96.4 | Very high | 9 Ų | 9 | 24.3 Ų | 24.3 | 6% | 0.055 | 13% | 0.133 | C | C | . | . | trans | -125.5 | 18 | -174.2 | 60.5 | 0 | 0 | 0 | 0 | 114.1 | H79 L109 S112 D116 F117 | H79-T114 VanDerWaalsContact CE1-CG2 3.41Å; H79-T114 WeakPolarHBondContact CE1-CG2 3.16Å; L109-T114 WeakPolarHBondContact CD2-OG1 3.34Å; L109-T114 PolarHBondContact O-N 3.25Å; S112-T114 VanDerWaalsContact C-N 3.34Å; S112-T114 PolarHBondContact O-N 2.84Å; S112-T114 PolarHBondContact OG-OG1 3.5Å; T114-D116 PolarHBondContact O-N 3.42Å; T114-F117 WeakPolarHBondContact O-CB 3.42Å; T114-F117 PolarHBondContact O-N 3.47Å | ||
| 115 | L | 98 | Very high | 96 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -26.8 | 178.6 | -178.8 | 63.6 | 0 | 0 | 0 | 112.5 | V40 I106 L109 L110 F117 P118 F119 V153 C157 | V40-L115 HydrophobicContact CG1-CD2 4.16Å; V40-L115 HydrophobicContact CG2-CD2 4.48Å; I106-L115 HydrophobicContact CG1-CD1 4.34Å; L109-L115 HydrophobicContact CB-CB 3.92Å; L109-L115 HydrophobicContact CB-CD1 4.03Å; L109-L115 HydrophobicContact CD1-CD1 4.04Å; L109-L115 PolarHBondContact O-N 2.97Å; L110-L115 HydrophobicContact CD2-CD2 3.57Å; L110-L115 HydrophobicContact CG-CD2 4.08Å; L115-F117 VanDerWaalsContact C-N 3.34Å; L115-P118 VanDerWaalsContact O-CD 3.24Å; L115-P118 WeakPolarHBondContact O-CD 3.34Å; L115-P118 VanDerWaalsContact O-CG 3.29Å; L115-P118 WeakPolarHBondContact O-CG 3.49Å; L115-F119 HydrophobicContact CD1-CE2 4.36Å; L115-F119 HydrophobicContact CG-CE2 4.21Å; L115-F119 WeakPolarHBondContact O-CD2 3.07Å; L115-F119 WeakPolarHBondContact O-CE2 3.44Å; L115-V153 HydrophobicContact CB-CG1 4.08Å; L115-V153 HydrophobicContact CD2-CG1 4.03Å; L115-V153 HydrophobicContact CG-CG1 3.76Å; L115-C157 PolarHBondContact N-SG 2.95Å |
| 116 | D | 97.3 | Very high | 95.5 | Very high | 22 Ų | 22 | 28 Ų | 28 | 12% | 0.118 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -26.3 | 177.8 | 65.7 | -23 | 0 | 0 | 0 | 113.9 | T114 F119 K120 V153 C157 | T114-D116 PolarHBondContact O-N 3.42Å; D116-F119 PolarHBondContact O-N 2.87Å; D116-F119 VanDerWaalsContact O-N 3.09Å; D116-K120 PolarHBondContact O-N 3.4Å; D116-K120 WeakPolarHBondContact OD2-CE 3.41Å; D116-K120 IonicContact OD2-NZ 3.53Å; D116-K120 PolarHBondContact OD2-NZ 3.14Å; D116-V153 HydrophobicContact CB-CG1 4.02Å; D116-C157 PolarHBondContact N-SG 3.45Å; D116-C157 VanDerWaalsContact N-SG 3.4Å |
| 117 | F | 97.1 | Very high | 94.9 | Very high | 28 Ų | 28 | 33.5 Ų | 33.5 | 12% | 0.123 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -50.3 | -54.3 | -177.9 | 176.6 | -101.7 | 0 | 0 | 0 | 114.5 | I67 V78 H79 Y82 T114 L115 F119 K120 L121 | I67-F117 HydrophobicContact CG2-CE1 3.74Å; I67-F117 HydrophobicContact CG2-CZ 4.39Å; V78-F117 HydrophobicContact CG2-CE1 4.38Å; V78-F117 HydrophobicContact CG2-CZ 4.27Å; H79-F117 HydrophobicContact CB-CD2 3.85Å; H79-F117 HydrophobicContact CB-CE2 4.01Å; H79-F117 HydrophobicContact CB-CG 4.17Å; H79-F117 HydrophobicContact CB-CZ 4.45Å; Y82-F117 AromaticContact CD1-CD1 3.9Å; Y82-F117 HydrophobicContact CD1-CD1 3.9Å; Y82-F117 AromaticContact CD1-CE1 3.75Å; Y82-F117 HydrophobicContact CD1-CE1 3.75Å; Y82-F117 HydrophobicContact CD2-CB 4.48Å; Y82-F117 AromaticContact CD2-CD1 3.49Å; Y82-F117 HydrophobicContact CD2-CD1 3.49Å; Y82-F117 VanDerWaalsContact CD2-CD1 3.49Å; Y82-F117 HydrophobicContact CD2-CE1 4.21Å; Y82-F117 HydrophobicContact CD2-CG 4.39Å; Y82-F117 HydrophobicContact CE1-CD1 4.39Å; Y82-F117 HydrophobicContact CE1-CE1 4.23Å; Y82-F117 HydrophobicContact CE2-CD1 4.02Å; Y82-F117 AromaticContact CG-CD1 3.44Å; Y82-F117 HydrophobicContact CG-CD1 3.44Å; Y82-F117 VanDerWaalsContact CG-CD1 3.44Å; Y82-F117 AromaticContact CG-CE1 3.77Å; Y82-F117 HydrophobicContact CG-CE1 3.77Å; Y82-F117 HydrophobicContact CG-CG 4.44Å; T114-F117 WeakPolarHBondContact O-CB 3.42Å; T114-F117 PolarHBondContact O-N 3.47Å; L115-F117 VanDerWaalsContact C-N 3.34Å; F117-F119 PolarHBondContact O-N 3.22Å; F117-K120 PolarHBondContact O-N 3.19Å; F117-L121 PolarHBondContact O-N 3.15Å |
| 118 | P | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.1 | -32.6 | 178.8 | 22.6 | -35.4 | 0 | 0 | 0 | 113.3 | W63 M64 I67 Y82 L115 L122 | W63-P118 HydrophobicContact CH2-CB 3.97Å; W63-P118 HydrophobicContact CZ3-CB 4.24Å; M64-P118 HydrophobicContact CE-CB 3.91Å; M64-P118 HydrophobicContact CE-CG 3.82Å; I67-P118 HydrophobicContact CD1-CB 3.64Å; Y82-P118 HydrophobicContact CE2-CB 4.22Å; Y82-P118 HydrophobicContact CE2-CG 4.07Å; L115-P118 VanDerWaalsContact O-CD 3.24Å; L115-P118 WeakPolarHBondContact O-CD 3.34Å; L115-P118 VanDerWaalsContact O-CG 3.29Å; L115-P118 WeakPolarHBondContact O-CG 3.49Å; P118-L122 PolarHBondContact O-N 3.3Å; P118-L122 VanDerWaalsContact O-N 3.16Å |
| 119 | F | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -73.1 | -41.3 | 178.5 | -55.7 | -79.6 | 0 | 0 | 0 | 111.7 | L44 L115 D116 F117 L121 L122 L123 M140 F149 V153 | L44-F119 HydrophobicContact CD1-CZ 4.41Å; L44-F119 HydrophobicContact CD2-CE1 3.84Å; L44-F119 HydrophobicContact CD2-CZ 3.91Å; L44-F119 HydrophobicContact CG-CE1 4.39Å; L44-F119 HydrophobicContact CG-CZ 4.21Å; L115-F119 HydrophobicContact CD1-CE2 4.36Å; L115-F119 HydrophobicContact CG-CE2 4.21Å; L115-F119 WeakPolarHBondContact O-CD2 3.07Å; L115-F119 WeakPolarHBondContact O-CE2 3.44Å; D116-F119 PolarHBondContact O-N 2.87Å; D116-F119 VanDerWaalsContact O-N 3.09Å; F117-F119 PolarHBondContact O-N 3.22Å; F119-L121 VanDerWaalsContact C-N 3.28Å; F119-L121 PolarHBondContact O-N 2.96Å; F119-L122 PolarHBondContact O-N 2.9Å; F119-L123 WeakPolarHBondContact O-CB 3.41Å; F119-L123 WeakPolarHBondContact O-CG 3.46Å; F119-L123 PolarHBondContact O-N 2.97Å; F119-M140 HydrophobicContact CD1-CE 4.19Å; F119-M140 HydrophobicContact CE1-CE 3.54Å; F119-F149 HydrophobicContact CD1-CD1 4.04Å; F119-F149 HydrophobicContact CD1-CE1 4.19Å; F119-F149 AromaticContact CE1-CD1 3.79Å; F119-F149 HydrophobicContact CE1-CD1 3.79Å; F119-F149 AromaticContact CE1-CE1 3.5Å; F119-F149 HydrophobicContact CE1-CE1 3.5Å; F119-F149 VanDerWaalsContact CE1-CE1 3.5Å; F119-F149 HydrophobicContact CZ-CD1 4.35Å; F119-F149 AromaticContact CZ-CE1 3.69Å; F119-F149 HydrophobicContact CZ-CE1 3.69Å; F119-V153 HydrophobicContact CD2-CB 4.34Å; F119-V153 HydrophobicContact CD2-CG1 3.92Å; F119-V153 HydrophobicContact CD2-CG2 4.31Å; F119-V153 HydrophobicContact CE2-CB 4.39Å; F119-V153 HydrophobicContact CE2-CG1 3.83Å; F119-V153 HydrophobicContact CE2-CG2 4.02Å; F119-V153 HydrophobicContact CZ-CG2 4.36Å |
| 120 | K | 93.7 | Very high | 93.6 | Very high | 92 Ų | 92 | 36 Ų | 36 | 40% | 0.4 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.4 | -38.6 | 173.3 | -70.8 | 174.3 | 173.7 | 172.2 | 0 | 111.8 | D116 F117 L123 N124 | D116-K120 PolarHBondContact O-N 3.4Å; D116-K120 WeakPolarHBondContact OD2-CE 3.41Å; D116-K120 IonicContact OD2-NZ 3.53Å; D116-K120 PolarHBondContact OD2-NZ 3.14Å; F117-K120 PolarHBondContact O-N 3.19Å; K120-L123 PolarHBondContact O-N 3.38Å; K120-N124 PolarHBondContact O-N 2.73Å; K120-N124 VanDerWaalsContact O-N 3.14Å; K120-N124 PolarHBondContact O-ND2 3.24Å |
| 121 | L | 93.1 | Very high | 93 | Very high | 17 Ų | 17 | 39 Ų | 39 | 9% | 0.089 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 175.5 | -176.5 | 70.6 | 0 | 0 | 0 | 112 | I67 F117 F119 N124 N125 | I67-L121 HydrophobicContact CB-CD2 4.17Å; I67-L121 HydrophobicContact CD1-CD2 3.99Å; I67-L121 HydrophobicContact CG1-CD2 3.84Å; I67-L121 HydrophobicContact CG2-CD2 3.47Å; I67-L121 VanDerWaalsContact CG2-CD2 3.47Å; F117-L121 PolarHBondContact O-N 3.15Å; F119-L121 VanDerWaalsContact C-N 3.28Å; F119-L121 PolarHBondContact O-N 2.96Å; L121-N124 PolarHBondContact O-N 3.18Å; L121-N125 WeakPolarHBondContact O-CB 3.34Å; L121-N125 PolarHBondContact O-N 2.95Å; L121-N125 VanDerWaalsContact O-N 3.16Å; L121-N125 PolarHBondContact O-ND2 3.07Å |
| 122 | L | 92.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.5 | -42.3 | 177.2 | -74.1 | -177.6 | 0 | 0 | 0 | 111.9 | W63 P118 F119 N124 N125 M126 L128 M140 I146 | W63-L122 HydrophobicContact CH2-CD1 3.46Å; W63-L122 VanDerWaalsContact CH2-CD1 3.46Å; W63-L122 HydrophobicContact CH2-CG 4.02Å; W63-L122 HydrophobicContact CZ2-CD1 3.94Å; W63-L122 HydrophobicContact CZ3-CD1 3.88Å; W63-L122 HydrophobicContact CZ3-CD2 4.18Å; W63-L122 HydrophobicContact CZ3-CG 3.98Å; P118-L122 PolarHBondContact O-N 3.3Å; P118-L122 VanDerWaalsContact O-N 3.16Å; F119-L122 PolarHBondContact O-N 2.9Å; L122-N124 VanDerWaalsContact C-N 3.29Å; L122-N124 PolarHBondContact O-N 2.82Å; L122-N125 CarbonylContact O-C 3.08Å; L122-N125 PolarHBondContact O-N 3.47Å; L122-M126 WeakPolarHBondContact O-CA 3.39Å; L122-M126 PolarHBondContact O-N 2.99Å; L122-M126 VanDerWaalsContact O-N 3.1Å; L122-L128 HydrophobicContact CD2-CB 3.81Å; L122-M140 HydrophobicContact CD1-CB 4.29Å; L122-M140 HydrophobicContact CD1-CG 4.07Å; L122-I146 HydrophobicContact CB-CD1 3.69Å; L122-I146 HydrophobicContact CD1-CD1 4.39Å |
| 123 | L | 91.4 | Very high | 92.2 | Very high | 45 Ų | 45 | 36.2 Ų | 36.2 | 24% | 0.236 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.7 | -44.6 | 175.2 | -86.6 | 165.6 | 0 | 0 | 0 | 112.6 | F119 K120 N125 M126 I146 Q147 S150 | F119-L123 WeakPolarHBondContact O-CB 3.41Å; F119-L123 WeakPolarHBondContact O-CG 3.46Å; F119-L123 PolarHBondContact O-N 2.97Å; K120-L123 PolarHBondContact O-N 3.38Å; L123-N125 VanDerWaalsContact C-N 3.25Å; L123-N125 PolarHBondContact O-N 3.37Å; L123-M126 HydrophobicContact CD2-CE 4.46Å; L123-I146 HydrophobicContact CD2-CB 4.43Å; L123-I146 HydrophobicContact CD2-CG1 4.3Å; L123-I146 HydrophobicContact CD2-CG2 3.62Å; L123-I146 HydrophobicContact CG-CD1 4.16Å; L123-I146 HydrophobicContact CG-CG1 4.09Å; L123-I146 HydrophobicContact CG-CG2 4.3Å; L123-Q147 HydrophobicContact CD2-CB 4.29Å; L123-Q147 HydrophobicContact CD2-CG 3.39Å; L123-S150 VanDerWaalsContact CD1-CB 3.41Å; L123-S150 VanDerWaalsContact CD1-OG 3.29Å; L123-S150 WeakPolarHBondContact CD1-OG 3.35Å |
| 124 | N | 90.7 | Very high | 91.8 | Very high | 134 Ų | 134 | 38.6 Ų | 38.6 | 72% | 0.717 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -77.2 | -12.5 | 179.5 | -67 | -23.1 | 0 | 0 | 0 | 113.1 | K120 L121 L122 | K120-N124 PolarHBondContact O-N 2.73Å; K120-N124 VanDerWaalsContact O-N 3.14Å; K120-N124 PolarHBondContact O-ND2 3.24Å; L121-N124 PolarHBondContact O-N 3.18Å; L122-N124 VanDerWaalsContact C-N 3.29Å; L122-N124 PolarHBondContact O-N 2.82Å |
| 125 | N | 89.9 | Confident | 91.1 | Very high | 36 Ų | 36 | 45 Ų | 45 | 19% | 0.193 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -142.1 | 59.1 | -172.6 | -60.1 | -83.4 | 0 | 0 | 0 | 110.9 | W74 L121 L122 L123 H127 L128 | W74-N125 HydrophobicContact CH2-CB 4.28Å; W74-N125 HydrophobicContact CZ3-CB 3.91Å; W74-N125 WeakPolarHBondContact CZ3-OD1 3.37Å; L121-N125 WeakPolarHBondContact O-CB 3.34Å; L121-N125 PolarHBondContact O-N 2.95Å; L121-N125 VanDerWaalsContact O-N 3.16Å; L121-N125 PolarHBondContact O-ND2 3.07Å; L122-N125 CarbonylContact O-C 3.08Å; L122-N125 PolarHBondContact O-N 3.47Å; L123-N125 VanDerWaalsContact C-N 3.25Å; L123-N125 PolarHBondContact O-N 3.37Å; N125-H127 PolarHBondContact O-N 2.93Å; N125-L128 HydrophobicContact CB-CD1 3.81Å; N125-L128 HydrophobicContact CB-CG 4Å; N125-L128 VanDerWaalsContact O-CB 3.28Å; N125-L128 WeakPolarHBondContact O-CB 3.47Å; N125-L128 PolarHBondContact O-N 3.19Å |
| 126 | M | 87.8 | Confident | 90.6 | Very high | 45 Ų | 45 | 48.3 Ų | 48.3 | 22% | 0.222 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.8 | -28.2 | -170 | -159.3 | 58.2 | 66.7 | 0 | 0 | 114.4 | L122 L123 L128 S129 A130 D143 I146 | L122-M126 WeakPolarHBondContact O-CA 3.39Å; L122-M126 PolarHBondContact O-N 2.99Å; L122-M126 VanDerWaalsContact O-N 3.1Å; L123-M126 HydrophobicContact CD2-CE 4.46Å; M126-L128 PolarHBondContact O-N 3.27Å; M126-S129 WeakPolarHBondContact O-CA 3.44Å; M126-S129 WeakPolarHBondContact O-CB 3.25Å; M126-S129 PolarHBondContact O-N 3.44Å; M126-A130 PolarHBondContact O-N 3.22Å; M126-D143 VanDerWaalsContact CE-OD1 3.28Å; M126-D143 WeakPolarHBondContact CE-OD1 3.48Å; M126-D143 WeakPolarHBondContact CG-OD1 3.47Å; M126-I146 HydrophobicContact CE-CD1 4.49Å; M126-I146 HydrophobicContact CE-CG2 3.62Å; M126-I146 HydrophobicContact SD-CG2 4.4Å |
| 127 | H | 87.4 | Confident | 90.2 | Very high | 116 Ų | 116 | 53 Ų | 53 | 54% | 0.537 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60 | -25.1 | 173.9 | 69.5 | -85 | 0 | 0 | 0 | 113.7 | W74 N125 | W74-H127 AromaticContact CH2-CE1 3.58Å; W74-H127 AromaticContact CH2-NE2 3.18Å; W74-H127 WeakPolarHBondContact CH2-NE2 3.5Å; W74-H127 AromaticContact CZ2-NE2 3.5Å; W74-H127 WeakPolarHBondContact CZ2-NE2 3.49Å; N125-H127 PolarHBondContact O-N 2.93Å |
| 128 | L | 87.8 | Confident | 89.9 | Confident | 20 Ų | 20 | 51.6 Ų | 51.6 | 11% | 0.105 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 170 | -69.7 | -179.1 | 0 | 0 | 0 | 111.2 | I70 W74 L122 N125 M126 A130 A131 F132 | I70-L128 HydrophobicContact CD1-CD2 4.36Å; I70-L128 HydrophobicContact CG2-CD1 4.17Å; I70-L128 HydrophobicContact CG2-CD2 4.47Å; W74-L128 HydrophobicContact CH2-CD1 3.65Å; W74-L128 HydrophobicContact CH2-CD2 3.42Å; W74-L128 VanDerWaalsContact CH2-CD2 3.42Å; W74-L128 HydrophobicContact CH2-CG 3.53Å; W74-L128 HydrophobicContact CZ2-CD2 3.95Å; W74-L128 HydrophobicContact CZ3-CD1 3.66Å; W74-L128 HydrophobicContact CZ3-CD2 4.28Å; W74-L128 HydrophobicContact CZ3-CG 4.07Å; L122-L128 HydrophobicContact CD2-CB 3.81Å; N125-L128 HydrophobicContact CB-CD1 3.81Å; N125-L128 HydrophobicContact CB-CG 4Å; N125-L128 VanDerWaalsContact O-CB 3.28Å; N125-L128 WeakPolarHBondContact O-CB 3.47Å; N125-L128 PolarHBondContact O-N 3.19Å; M126-L128 PolarHBondContact O-N 3.27Å; L128-A130 VanDerWaalsContact C-N 3.3Å; L128-A130 PolarHBondContact O-N 3.2Å; L128-A131 WeakPolarHBondContact O-CB 3.46Å; L128-A131 PolarHBondContact O-N 3.47Å; L128-A131 VanDerWaalsContact O-N 3.1Å; L128-F132 WeakPolarHBondContact O-CD2 3.39Å |
| 129 | S | 89.6 | Confident | 89.8 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 179.1 | -170.4 | 0 | 0 | 0 | 0 | 110.8 | M126 A131 F132 Y133 M140 G141 | M126-S129 WeakPolarHBondContact O-CA 3.44Å; M126-S129 WeakPolarHBondContact O-CB 3.25Å; M126-S129 PolarHBondContact O-N 3.44Å; S129-A131 PolarHBondContact O-N 3.18Å; S129-F132 PolarHBondContact O-N 3.27Å; S129-Y133 PolarHBondContact O-N 2.89Å; S129-M140 WeakPolarHBondContact CB-O 3.1Å; S129-M140 WeakPolarHBondContact OG-CB 3.26Å; S129-M140 PolarHBondContact OG-O 2.82Å; S129-G141 PolarHBondContact OG-N 3.28Å |
| 130 | A | 88.6 | Confident | 89.7 | Confident | 55 Ų | 55 | 51.6 Ų | 51.6 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.8 | -22.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K49 M126 L128 | K49-A130 PolarHBondContact NZ-O 3.34Å; M126-A130 PolarHBondContact O-N 3.22Å; L128-A130 VanDerWaalsContact C-N 3.3Å; L128-A130 PolarHBondContact O-N 3.2Å |
| 131 | A | 86.8 | Confident | 89.5 | Confident | 66 Ų | 66 | 47.6 Ų | 47.6 | 55% | 0.545 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -75.6 | -22.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | L128 S129 | L128-A131 WeakPolarHBondContact O-CB 3.46Å; L128-A131 PolarHBondContact O-N 3.47Å; L128-A131 VanDerWaalsContact O-N 3.1Å; S129-A131 PolarHBondContact O-N 3.18Å |
| 132 | F | 87.5 | Confident | 89.4 | Confident | 47 Ų | 47 | 48.8 Ų | 48.8 | 21% | 0.206 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -119.7 | -24.5 | -173 | -58.9 | -71.6 | 0 | 0 | 0 | 113.8 | K49 W63 L128 S129 | K49-F132 WeakPolarHBondContact CB-O 3.45Å; K49-F132 PolarHBondContact N-O 2.89Å; W63-F132 HydrophobicContact CB-CB 4.45Å; W63-F132 HydrophobicContact CB-CD1 3.47Å; W63-F132 VanDerWaalsContact CB-CD1 3.47Å; W63-F132 HydrophobicContact CB-CD2 3.64Å; W63-F132 HydrophobicContact CB-CE1 3.43Å; W63-F132 VanDerWaalsContact CB-CE1 3.43Å; W63-F132 HydrophobicContact CB-CE2 3.63Å; W63-F132 HydrophobicContact CB-CG 3.57Å; W63-F132 HydrophobicContact CB-CZ 3.52Å; W63-F132 HydrophobicContact CG-CB 4.43Å; W63-F132 HydrophobicContact CG-CD1 4.29Å; W63-F132 HydrophobicContact CG-CD2 4.12Å; W63-F132 HydrophobicContact CG-CG 4.01Å; L128-F132 WeakPolarHBondContact O-CD2 3.39Å; S129-F132 PolarHBondContact O-N 3.27Å |
| 133 | Y | 91.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -123.5 | 148.2 | -172.5 | -68.4 | -83.3 | 0 | 0 | 0 | 111.9 | L44 M46 G47 L48 K49 W63 S129 S138 M140 | L44-Y133 VanDerWaalsContact O-CE1 3.23Å; L44-Y133 WeakPolarHBondContact O-CE1 3.45Å; L44-Y133 PolarHBondContact O-OH 3.25Å; M46-Y133 WeakPolarHBondContact O-CD1 3.34Å; G47-Y133 CarbonylContact O-C 3.56Å; G47-Y133 WeakPolarHBondContact O-CA 3.43Å; L48-Y133 HydrophobicContact CD2-CD1 3.88Å; L48-Y133 HydrophobicContact CD2-CE1 3.32Å; L48-Y133 HydrophobicContact CD2-CE2 4.16Å; L48-Y133 VanDerWaalsContact CD2-CZ 3.46Å; L48-Y133 HydrophobicContact CG-CD1 4.2Å; L48-Y133 HydrophobicContact CG-CE1 3.63Å; K49-Y133 WeakPolarHBondContact CE-O 3.45Å; K49-Y133 PolarHBondContact NZ-O 3.23Å; W63-Y133 AromaticContact CE2-CE2 3.95Å; W63-Y133 HydrophobicContact CZ2-CE2 4.28Å; W63-Y133 AromaticContact NE1-CE2 3.52Å; W63-Y133 AromaticContact NE1-CZ 3.59Å; W63-Y133 PolarHBondContact NE1-OH 2.91Å; S129-Y133 PolarHBondContact O-N 2.89Å; Y133-S138 WeakPolarHBondContact CB-OG 3.3Å; Y133-M140 HydrophobicContact CD1-CB 4.17Å; Y133-M140 HydrophobicContact CD1-SD 4.47Å; Y133-M140 HydrophobicContact CD2-CB 3.61Å; Y133-M140 HydrophobicContact CD2-CG 4.17Å; Y133-M140 HydrophobicContact CE1-CB 4.28Å; Y133-M140 HydrophobicContact CE1-CG 4.17Å; Y133-M140 HydrophobicContact CE1-SD 3.89Å; Y133-M140 HydrophobicContact CE2-CB 3.78Å; Y133-M140 HydrophobicContact CE2-CG 3.79Å; Y133-M140 HydrophobicContact CG-CB 3.84Å |
| 134 | E | 88.5 | Confident | 89.3 | Confident | 76 Ų | 76 | 56.5 Ų | 56.5 | 36% | 0.355 | 31% | 0.307 | S | S | . | . | trans | -81.8 | 122.6 | 169.1 | -172.7 | 51.2 | -119.8 | 0 | 0 | 109.3 | G47 K49 S136 E137 S138 | G47-E134 PolarHBondContact O-N 3.49Å; K49-E134 WeakPolarHBondContact CE-OE2 3.35Å; E134-S136 VanDerWaalsContact C-N 3.28Å; E134-S136 PolarHBondContact O-N 3.37Å; E134-E137 HydrophobicContact CB-CB 4.27Å; E134-E137 HydrophobicContact CG-CB 4.33Å; E134-E137 HydrophobicContact CG-CG 4.14Å; E134-E137 PolarHBondContact O-N 3.31Å; E134-S138 VanDerWaalsContact O-CB 3.26Å; E134-S138 WeakPolarHBondContact O-CB 3.49Å; E134-S138 PolarHBondContact O-N 3.46Å; E134-S138 PolarHBondContact O-OG 3.5Å | ||
| 135 | E | 84.4 | Confident | 89.4 | Confident | 142 Ų | 142 | 50.7 Ų | 50.7 | 66% | 0.664 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -40.7 | -171.1 | -174.6 | 178.5 | 165.7 | 0 | 0 | 111.3 | E137 | E135-E137 VanDerWaalsContact C-N 3.3Å; E135-E137 PolarHBondContact O-N 3.06Å |
| 136 | S | 86.1 | Confident | 89.6 | Confident | 70 Ų | 70 | 49 Ų | 49 | 49% | 0.49 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -5.2 | -176.1 | 66.4 | 0 | 0 | 0 | 0 | 115.4 | V2 E134 | V2-S136 WeakPolarHBondContact CG2-O 3.21Å; E134-S136 VanDerWaalsContact C-N 3.28Å; E134-S136 PolarHBondContact O-N 3.37Å |
| 137 | E | 88.3 | Confident | 89.9 | Confident | 120 Ų | 120 | 52 Ų | 52 | 56% | 0.561 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.4 | -9.6 | -173.5 | -60.7 | -170.7 | 166.5 | 0 | 0 | 114.5 | V2 E134 E135 | V2-E137 VanDerWaalsContact CG2-C 3.45Å; V2-E137 VanDerWaalsContact CG2-CA 3.43Å; E134-E137 HydrophobicContact CB-CB 4.27Å; E134-E137 HydrophobicContact CG-CB 4.33Å; E134-E137 HydrophobicContact CG-CG 4.14Å; E134-E137 PolarHBondContact O-N 3.31Å; E135-E137 VanDerWaalsContact C-N 3.3Å; E135-E137 PolarHBondContact O-N 3.06Å |
| 138 | S | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -113.3 | 146.4 | -175.2 | 67 | 0 | 0 | 0 | 0 | 112.3 | M46 Y133 E134 M140 G141 | M46-S138 WeakPolarHBondContact O-CA 3.38Å; M46-S138 WeakPolarHBondContact O-CB 3.45Å; Y133-S138 WeakPolarHBondContact CB-OG 3.3Å; E134-S138 VanDerWaalsContact O-CB 3.26Å; E134-S138 WeakPolarHBondContact O-CB 3.49Å; E134-S138 PolarHBondContact O-N 3.46Å; E134-S138 PolarHBondContact O-OG 3.5Å; S138-M140 VanDerWaalsContact C-N 3.29Å; S138-G141 VanDerWaalsContact OG-CA 3.32Å; S138-G141 WeakPolarHBondContact OG-CA 3.28Å; S138-G141 PolarHBondContact OG-N 3.1Å | ||
| 139 | V | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -38.2 | 167.6 | 168.9 | 0 | 0 | 0 | 0 | 110.5 | P5 F8 V43 M46 G141 D142 L145 I146 F149 | P5-V139 HydrophobicContact CG-CG2 3.48Å; P5-V139 VanDerWaalsContact CG-CG2 3.48Å; F8-V139 HydrophobicContact CE1-CG1 4.02Å; F8-V139 HydrophobicContact CE1-CG2 3.79Å; F8-V139 HydrophobicContact CZ-CG1 3.72Å; F8-V139 HydrophobicContact CZ-CG2 4Å; V43-V139 HydrophobicContact CG1-CB 3.79Å; V43-V139 HydrophobicContact CG1-CG1 3.82Å; V43-V139 HydrophobicContact CG1-CG2 3.89Å; M46-V139 HydrophobicContact CE-CG2 4.48Å; M46-V139 HydrophobicContact SD-CG2 4.33Å; V139-G141 VanDerWaalsContact C-N 3.29Å; V139-G141 PolarHBondContact O-N 3.29Å; V139-D142 PolarHBondContact O-N 3.1Å; V139-L145 HydrophobicContact CG1-CB 4.1Å; V139-I146 WeakPolarHBondContact O-CB 3.48Å; V139-I146 PolarHBondContact O-N 2.68Å; V139-F149 HydrophobicContact CG1-CB 3.8Å; V139-F149 HydrophobicContact CG1-CD1 4.42Å; V139-F149 HydrophobicContact CG1-CG 4.17Å |
| 140 | M | 92.7 | Very high | 91 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -28.8 | -177.4 | -70.9 | 73.6 | -162.6 | 0 | 0 | 112.8 | V43 L44 F119 L122 S129 Y133 S138 F149 | V43-M140 HydrophobicContact CG1-CE 3.76Å; V43-M140 HydrophobicContact CG1-SD 4.42Å; L44-M140 HydrophobicContact CB-CE 4.44Å; L44-M140 HydrophobicContact CD2-CE 3.65Å; L44-M140 HydrophobicContact CG-CE 4.03Å; F119-M140 HydrophobicContact CD1-CE 4.19Å; F119-M140 HydrophobicContact CE1-CE 3.54Å; L122-M140 HydrophobicContact CD1-CB 4.29Å; L122-M140 HydrophobicContact CD1-CG 4.07Å; S129-M140 WeakPolarHBondContact CB-O 3.1Å; S129-M140 WeakPolarHBondContact OG-CB 3.26Å; S129-M140 PolarHBondContact OG-O 2.82Å; Y133-M140 HydrophobicContact CD1-CB 4.17Å; Y133-M140 HydrophobicContact CD1-SD 4.47Å; Y133-M140 HydrophobicContact CD2-CB 3.61Å; Y133-M140 HydrophobicContact CD2-CG 4.17Å; Y133-M140 HydrophobicContact CE1-CB 4.28Å; Y133-M140 HydrophobicContact CE1-CG 4.17Å; Y133-M140 HydrophobicContact CE1-SD 3.89Å; Y133-M140 HydrophobicContact CE2-CB 3.78Å; Y133-M140 HydrophobicContact CE2-CG 3.79Å; Y133-M140 HydrophobicContact CG-CB 3.84Å; S138-M140 VanDerWaalsContact C-N 3.29Å; M140-F149 HydrophobicContact CE-CD1 4.43Å; M140-F149 HydrophobicContact CE-CE1 4.32Å |
| 141 | G | 90.2 | Very high | 91.3 | Very high | 8 Ų | 8 | 50.1 Ų | 50.1 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -15.5 | -180 | 0 | 0 | 0 | 0 | 0 | 113.9 | S129 S138 V139 | S129-G141 PolarHBondContact OG-N 3.28Å; S138-G141 VanDerWaalsContact OG-CA 3.32Å; S138-G141 WeakPolarHBondContact OG-CA 3.28Å; S138-G141 PolarHBondContact OG-N 3.1Å; V139-G141 VanDerWaalsContact C-N 3.29Å; V139-G141 PolarHBondContact O-N 3.29Å |
| 142 | D | 91.4 | Very high | 91.8 | Very high | 41 Ų | 41 | 48.4 Ų | 48.4 | 22% | 0.219 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -96.9 | 118.6 | 179.7 | -179.3 | -62.6 | 0 | 0 | 0 | 110.8 | V139 I144 L145 I146 | V139-D142 PolarHBondContact O-N 3.1Å; D142-I144 PolarHBondContact O-N 3.47Å; D142-I144 PolarHBondContact OD1-N 3.34Å; D142-L145 HydrophobicContact CB-CB 4.01Å; D142-L145 HydrophobicContact CB-CD1 3.97Å; D142-L145 HydrophobicContact CB-CG 4.09Å; D142-L145 PolarHBondContact O-N 3.24Å; D142-L145 WeakPolarHBondContact OD1-CG 3.24Å; D142-L145 PolarHBondContact OD1-N 3.29Å; D142-I146 WeakPolarHBondContact O-CG2 3.37Å; D142-I146 PolarHBondContact O-N 2.92Å |
| 143 | D | 88.8 | Confident | 92.3 | Very high | 93 Ų | 93 | 46.1 Ų | 46.1 | 50% | 0.497 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -54.9 | -35 | -175.5 | -74.9 | -15.5 | 0 | 0 | 0 | 113.9 | M126 Q147 | M126-D143 VanDerWaalsContact CE-OD1 3.28Å; M126-D143 WeakPolarHBondContact CE-OD1 3.48Å; M126-D143 WeakPolarHBondContact CG-OD1 3.47Å; D143-Q147 WeakPolarHBondContact O-CG 3.26Å; D143-Q147 PolarHBondContact O-NE2 2.65Å |
| 144 | I | 91.2 | Very high | 92.6 | Very high | 116 Ų | 116 | 47.2 Ų | 47.2 | 60% | 0.595 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -82.9 | -46 | -177.5 | -61.5 | 174.8 | 0 | 0 | 0 | 109.3 | D142 Q147 I148 | D142-I144 PolarHBondContact O-N 3.47Å; D142-I144 PolarHBondContact OD1-N 3.34Å; I144-Q147 PolarHBondContact O-N 2.81Å; I144-I148 HydrophobicContact CG2-CD1 3.9Å; I144-I148 WeakPolarHBondContact O-CG1 3.18Å; I144-I148 PolarHBondContact O-N 2.74Å; I144-I148 VanDerWaalsContact O-N 3.13Å |
| 145 | L | 93.5 | Very high | 93.1 | Very high | 13 Ų | 13 | 47.1 Ų | 47.1 | 7% | 0.068 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67 | -40.2 | -176.6 | -64.5 | 178.9 | 0 | 0 | 0 | 112.1 | V2 F8 V139 D142 Q147 I148 F149 | V2-L145 HydrophobicContact CB-CD1 3.78Å; V2-L145 HydrophobicContact CG1-CD1 3.86Å; F8-L145 HydrophobicContact CZ-CB 4.44Å; V139-L145 HydrophobicContact CG1-CB 4.1Å; D142-L145 HydrophobicContact CB-CB 4.01Å; D142-L145 HydrophobicContact CB-CD1 3.97Å; D142-L145 HydrophobicContact CB-CG 4.09Å; D142-L145 PolarHBondContact O-N 3.24Å; D142-L145 WeakPolarHBondContact OD1-CG 3.24Å; D142-L145 PolarHBondContact OD1-N 3.29Å; L145-Q147 VanDerWaalsContact C-N 3.32Å; L145-Q147 PolarHBondContact O-N 3.12Å; L145-I148 PolarHBondContact O-N 3.32Å; L145-F149 WeakPolarHBondContact O-CB 3.4Å; L145-F149 PolarHBondContact O-N 2.93Å |
| 146 | I | 94 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.7 | -34.7 | 176.9 | -168.6 | 177.7 | 0 | 0 | 0 | 112 | L122 L123 M126 V139 D142 F149 S150 | L122-I146 HydrophobicContact CB-CD1 3.69Å; L122-I146 HydrophobicContact CD1-CD1 4.39Å; L123-I146 HydrophobicContact CD2-CB 4.43Å; L123-I146 HydrophobicContact CD2-CG1 4.3Å; L123-I146 HydrophobicContact CD2-CG2 3.62Å; L123-I146 HydrophobicContact CG-CD1 4.16Å; L123-I146 HydrophobicContact CG-CG1 4.09Å; L123-I146 HydrophobicContact CG-CG2 4.3Å; M126-I146 HydrophobicContact CE-CD1 4.49Å; M126-I146 HydrophobicContact CE-CG2 3.62Å; M126-I146 HydrophobicContact SD-CG2 4.4Å; V139-I146 WeakPolarHBondContact O-CB 3.48Å; V139-I146 PolarHBondContact O-N 2.68Å; D142-I146 WeakPolarHBondContact O-CG2 3.37Å; D142-I146 PolarHBondContact O-N 2.92Å; I146-F149 PolarHBondContact O-N 3.33Å; I146-S150 WeakPolarHBondContact O-CB 3.42Å; I146-S150 PolarHBondContact O-N 3.03Å |
| 147 | Q | 94.5 | Very high | 94.3 | Very high | 109 Ų | 109 | 38 Ų | 38 | 51% | 0.509 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.2 | -46 | 173.7 | -75.7 | 176.2 | 48.9 | 0 | 0 | 111.7 | L123 D143 I144 L145 S151 | L123-Q147 HydrophobicContact CD2-CB 4.29Å; L123-Q147 HydrophobicContact CD2-CG 3.39Å; D143-Q147 WeakPolarHBondContact O-CG 3.26Å; D143-Q147 PolarHBondContact O-NE2 2.65Å; I144-Q147 PolarHBondContact O-N 2.81Å; L145-Q147 VanDerWaalsContact C-N 3.32Å; L145-Q147 PolarHBondContact O-N 3.12Å; Q147-S151 PolarHBondContact O-N 3.31Å; Q147-S151 VanDerWaalsContact O-N 3.07Å; Q147-S151 PolarHBondContact O-OG 2.97Å |
| 148 | I | 94.9 | Very high | 94.7 | Very high | 70 Ų | 70 | 40.6 Ų | 40.6 | 36% | 0.359 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.3 | -46.7 | 178.2 | -64 | 166.3 | 0 | 0 | 0 | 110.2 | F8 I144 L145 S151 L152 | F8-I148 HydrophobicContact CD2-CG2 3.76Å; F8-I148 HydrophobicContact CE2-CB 3.98Å; F8-I148 HydrophobicContact CE2-CG2 3.64Å; I144-I148 HydrophobicContact CG2-CD1 3.9Å; I144-I148 WeakPolarHBondContact O-CG1 3.18Å; I144-I148 PolarHBondContact O-N 2.74Å; I144-I148 VanDerWaalsContact O-N 3.13Å; L145-I148 PolarHBondContact O-N 3.32Å; I148-S151 WeakPolarHBondContact O-CB 3.31Å; I148-S151 PolarHBondContact O-N 2.97Å; I148-L152 PolarHBondContact O-N 3.37Å; I148-L152 VanDerWaalsContact O-N 3.11Å |
| 149 | F | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.7 | -43.6 | -179.3 | -170.1 | -115.5 | 0 | 0 | 0 | 112.1 | F8 V11 V43 F119 V139 M140 L145 I146 S151 L152 V153 | F8-F149 AromaticContact CD1-CD2 3.91Å; F8-F149 HydrophobicContact CD1-CD2 3.91Å; F8-F149 HydrophobicContact CE1-CB 4.05Å; F8-F149 AromaticContact CE1-CD2 3.6Å; F8-F149 HydrophobicContact CE1-CD2 3.6Å; F8-F149 HydrophobicContact CE1-CE2 4.42Å; F8-F149 HydrophobicContact CE1-CG 4.08Å; F8-F149 HydrophobicContact CE2-CB 4.09Å; F8-F149 HydrophobicContact CZ-CB 3.6Å; F8-F149 HydrophobicContact CZ-CD2 4.02Å; F8-F149 HydrophobicContact CZ-CG 4.15Å; V11-F149 HydrophobicContact CG2-CE2 4.29Å; V43-F149 HydrophobicContact CB-CE1 4.09Å; V43-F149 HydrophobicContact CB-CE2 3.94Å; V43-F149 HydrophobicContact CB-CZ 3.68Å; V43-F149 HydrophobicContact CG1-CD1 3.73Å; V43-F149 HydrophobicContact CG1-CD2 3.98Å; V43-F149 HydrophobicContact CG1-CE1 3.52Å; V43-F149 HydrophobicContact CG1-CE2 3.8Å; V43-F149 HydrophobicContact CG1-CG 3.95Å; V43-F149 HydrophobicContact CG1-CZ 3.57Å; V43-F149 HydrophobicContact CG2-CD2 4.32Å; V43-F149 HydrophobicContact CG2-CE2 3.76Å; V43-F149 HydrophobicContact CG2-CZ 4.01Å; F119-F149 HydrophobicContact CD1-CD1 4.04Å; F119-F149 HydrophobicContact CD1-CE1 4.19Å; F119-F149 AromaticContact CE1-CD1 3.79Å; F119-F149 HydrophobicContact CE1-CD1 3.79Å; F119-F149 AromaticContact CE1-CE1 3.5Å; F119-F149 HydrophobicContact CE1-CE1 3.5Å; F119-F149 VanDerWaalsContact CE1-CE1 3.5Å; F119-F149 HydrophobicContact CZ-CD1 4.35Å; F119-F149 AromaticContact CZ-CE1 3.69Å; F119-F149 HydrophobicContact CZ-CE1 3.69Å; V139-F149 HydrophobicContact CG1-CB 3.8Å; V139-F149 HydrophobicContact CG1-CD1 4.42Å; V139-F149 HydrophobicContact CG1-CG 4.17Å; M140-F149 HydrophobicContact CE-CD1 4.43Å; M140-F149 HydrophobicContact CE-CE1 4.32Å; L145-F149 WeakPolarHBondContact O-CB 3.4Å; L145-F149 PolarHBondContact O-N 2.93Å; I146-F149 PolarHBondContact O-N 3.33Å; F149-S151 PolarHBondContact O-N 3.48Å; F149-L152 WeakPolarHBondContact O-CB 3.46Å; F149-L152 PolarHBondContact O-N 2.81Å; F149-L152 VanDerWaalsContact O-N 3.07Å; F149-V153 HydrophobicContact CD1-CG2 3.98Å; F149-V153 HydrophobicContact CE1-CG2 3.61Å; F149-V153 HydrophobicContact CE2-CG2 4.23Å; F149-V153 HydrophobicContact CG-CG2 4.44Å; F149-V153 HydrophobicContact CZ-CG2 3.74Å; F149-V153 WeakPolarHBondContact O-CG2 3.44Å; F149-V153 PolarHBondContact O-N 3.23Å |
| 150 | S | 96 | Very high | 95.1 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.8 | -37 | 175.7 | -177.5 | 0 | 0 | 0 | 0 | 112 | L123 I146 V153 S154 | L123-S150 VanDerWaalsContact CD1-CB 3.41Å; L123-S150 VanDerWaalsContact CD1-OG 3.29Å; L123-S150 WeakPolarHBondContact CD1-OG 3.35Å; I146-S150 WeakPolarHBondContact O-CB 3.42Å; I146-S150 PolarHBondContact O-N 3.03Å; S150-V153 PolarHBondContact O-N 3.03Å; S150-S154 WeakPolarHBondContact O-CB 3.2Å; S150-S154 PolarHBondContact O-N 2.95Å; S150-S154 PolarHBondContact O-OG 2.77Å |
| 151 | S | 96.4 | Very high | 95.3 | Very high | 73 Ų | 73 | 44.8 Ų | 44.8 | 51% | 0.51 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.1 | -44.4 | 173.8 | -57 | 0 | 0 | 0 | 0 | 111.5 | Q147 I148 F149 S154 E155 | Q147-S151 PolarHBondContact O-N 3.31Å; Q147-S151 VanDerWaalsContact O-N 3.07Å; Q147-S151 PolarHBondContact O-OG 2.97Å; I148-S151 WeakPolarHBondContact O-CB 3.31Å; I148-S151 PolarHBondContact O-N 2.97Å; F149-S151 PolarHBondContact O-N 3.48Å; S151-S154 WeakPolarHBondContact O-CB 3.45Å; S151-S154 PolarHBondContact O-N 2.94Å; S151-E155 PolarHBondContact O-N 3.29Å; S151-E155 VanDerWaalsContact O-N 3.14Å |
| 152 | L | 97.3 | Very high | 95.6 | Very high | 30 Ų | 30 | 49.6 Ų | 49.6 | 16% | 0.157 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62 | -45.5 | 174.7 | -69.9 | 172 | 0 | 0 | 0 | 112.1 | F8 V11 K12 I148 F149 S154 E155 V156 | F8-L152 HydrophobicContact CB-CD1 3.98Å; F8-L152 HydrophobicContact CD2-CD1 3.99Å; F8-L152 HydrophobicContact CG-CD1 4.07Å; V11-L152 HydrophobicContact CG1-CB 4.2Å; K12-L152 HydrophobicContact CB-CD2 4.4Å; I148-L152 PolarHBondContact O-N 3.37Å; I148-L152 VanDerWaalsContact O-N 3.11Å; F149-L152 WeakPolarHBondContact O-CB 3.46Å; F149-L152 PolarHBondContact O-N 2.81Å; F149-L152 VanDerWaalsContact O-N 3.07Å; L152-S154 VanDerWaalsContact C-N 3.26Å; L152-S154 PolarHBondContact O-N 3.36Å; L152-E155 WeakPolarHBondContact O-CB 3.48Å; L152-E155 PolarHBondContact O-N 3.21Å; L152-E155 VanDerWaalsContact O-N 3.14Å; L152-V156 WeakPolarHBondContact O-CG2 3.44Å; L152-V156 PolarHBondContact O-N 2.66Å |
| 153 | V | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.9 | -34.5 | 177.9 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | L115 D116 F119 F149 S150 E155 V156 C157 | L115-V153 HydrophobicContact CB-CG1 4.08Å; L115-V153 HydrophobicContact CD2-CG1 4.03Å; L115-V153 HydrophobicContact CG-CG1 3.76Å; D116-V153 HydrophobicContact CB-CG1 4.02Å; F119-V153 HydrophobicContact CD2-CB 4.34Å; F119-V153 HydrophobicContact CD2-CG1 3.92Å; F119-V153 HydrophobicContact CD2-CG2 4.31Å; F119-V153 HydrophobicContact CE2-CB 4.39Å; F119-V153 HydrophobicContact CE2-CG1 3.83Å; F119-V153 HydrophobicContact CE2-CG2 4.02Å; F119-V153 HydrophobicContact CZ-CG2 4.36Å; F149-V153 HydrophobicContact CD1-CG2 3.98Å; F149-V153 HydrophobicContact CE1-CG2 3.61Å; F149-V153 HydrophobicContact CE2-CG2 4.23Å; F149-V153 HydrophobicContact CG-CG2 4.44Å; F149-V153 HydrophobicContact CZ-CG2 3.74Å; F149-V153 WeakPolarHBondContact O-CG2 3.44Å; F149-V153 PolarHBondContact O-N 3.23Å; S150-V153 PolarHBondContact O-N 3.03Å; V153-E155 VanDerWaalsContact C-N 3.33Å; V153-E155 PolarHBondContact O-N 2.79Å; V153-V156 WeakPolarHBondContact O-CB 3.35Å; V153-V156 PolarHBondContact O-N 2.71Å; V153-C157 PolarHBondContact O-N 3.02Å; V153-C157 PolarHBondContact O-SG 3Å |
| 154 | S | 97.8 | Very high | 96 | Very high | 23 Ų | 23 | 45.9 Ų | 45.9 | 16% | 0.161 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.2 | -37.6 | 174.4 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | S150 S151 L152 C157 | S150-S154 WeakPolarHBondContact O-CB 3.2Å; S150-S154 PolarHBondContact O-N 2.95Å; S150-S154 PolarHBondContact O-OG 2.77Å; S151-S154 WeakPolarHBondContact O-CB 3.45Å; S151-S154 PolarHBondContact O-N 2.94Å; L152-S154 VanDerWaalsContact C-N 3.26Å; L152-S154 PolarHBondContact O-N 3.36Å; S154-C157 PolarHBondContact O-N 3.42Å |
| 155 | E | 97.6 | Very high | 96 | Very high | 74 Ų | 74 | 41.1 Ų | 41.1 | 35% | 0.346 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.4 | -40.1 | 171.1 | -64.4 | -52.6 | 135.8 | 0 | 0 | 111.9 | I15 S151 L152 V153 C157 R158 | I15-E155 HydrophobicContact CD1-CB 3.98Å; S151-E155 PolarHBondContact O-N 3.29Å; S151-E155 VanDerWaalsContact O-N 3.14Å; L152-E155 WeakPolarHBondContact O-CB 3.48Å; L152-E155 PolarHBondContact O-N 3.21Å; L152-E155 VanDerWaalsContact O-N 3.14Å; V153-E155 VanDerWaalsContact C-N 3.33Å; V153-E155 PolarHBondContact O-N 2.79Å; E155-C157 VanDerWaalsContact C-N 3.27Å; E155-C157 PolarHBondContact O-N 3.17Å; E155-R158 WeakPolarHBondContact O-CB 3.46Å; E155-R158 PolarHBondContact O-N 3.26Å; E155-R158 VanDerWaalsContact O-N 3.11Å; E155-R158 IonicContact OE1-CZ 3.65Å; E155-R158 VanDerWaalsContact OE1-CZ 3.25Å; E155-R158 IonicContact OE1-NH1 2.76Å; E155-R158 PolarHBondContact OE1-NH1 3.16Å; E155-R158 IonicContact OE1-NH2 3.25Å; E155-R158 IonicContact OE2-CZ 2.62Å; E155-R158 IonicContact OE2-NH1 2.63Å; E155-R158 PolarHBondContact OE2-NH1 2.86Å |
| 156 | V | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.7 | -42.6 | 173.1 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | V11 I15 L36 L110 L152 V153 R158 I159 F161 | V11-V156 HydrophobicContact CG1-CG2 3.79Å; I15-V156 HydrophobicContact CD1-CG2 3.83Å; I15-V156 HydrophobicContact CG1-CG2 3.83Å; L36-V156 HydrophobicContact CD1-CG1 4.44Å; L36-V156 HydrophobicContact CD1-CG2 4.01Å; L36-V156 HydrophobicContact CD2-CG1 3.97Å; L110-V156 HydrophobicContact CD2-CG1 3.52Å; L152-V156 WeakPolarHBondContact O-CG2 3.44Å; L152-V156 PolarHBondContact O-N 2.66Å; V153-V156 WeakPolarHBondContact O-CB 3.35Å; V153-V156 PolarHBondContact O-N 2.71Å; V156-R158 PolarHBondContact O-N 2.92Å; V156-R158 VanDerWaalsContact O-N 3.11Å; V156-I159 VanDerWaalsContact O-CB 3.3Å; V156-I159 WeakPolarHBondContact O-CB 3.41Å; V156-I159 PolarHBondContact O-N 2.91Å; V156-F161 HydrophobicContact CG1-CE2 4Å; V156-F161 HydrophobicContact CG1-CZ 3.96Å; V156-F161 WeakPolarHBondContact O-CE2 3.24Å |
| 157 | C | 97.7 | Very high | 95.5 | Very high | 20 Ų | 20 | 43.6 Ų | 43.6 | 14% | 0.135 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -12.9 | -179.6 | -65.5 | 0 | 0 | 0 | 0 | 114.2 | L115 D116 V153 S154 E155 | L115-C157 PolarHBondContact N-SG 2.95Å; D116-C157 PolarHBondContact N-SG 3.45Å; D116-C157 VanDerWaalsContact N-SG 3.4Å; V153-C157 PolarHBondContact O-N 3.02Å; V153-C157 PolarHBondContact O-SG 3Å; S154-C157 PolarHBondContact O-N 3.42Å; E155-C157 VanDerWaalsContact C-N 3.27Å; E155-C157 PolarHBondContact O-N 3.17Å |
| 158 | R | 96.3 | Very high | 95.3 | Very high | 176 Ų | 176 | 38.5 Ų | 38.5 | 66% | 0.664 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -14.1 | 172.6 | -64.2 | 179.1 | -176.5 | 152.5 | 8.9 | 113 | E155 V156 | E155-R158 WeakPolarHBondContact O-CB 3.46Å; E155-R158 PolarHBondContact O-N 3.26Å; E155-R158 VanDerWaalsContact O-N 3.11Å; E155-R158 IonicContact OE1-CZ 3.65Å; E155-R158 VanDerWaalsContact OE1-CZ 3.25Å; E155-R158 IonicContact OE1-NH1 2.76Å; E155-R158 PolarHBondContact OE1-NH1 3.16Å; E155-R158 IonicContact OE1-NH2 3.25Å; E155-R158 IonicContact OE2-CZ 2.62Å; E155-R158 IonicContact OE2-NH1 2.63Å; E155-R158 PolarHBondContact OE2-NH1 2.86Å; V156-R158 PolarHBondContact O-N 2.92Å; V156-R158 VanDerWaalsContact O-N 3.11Å |
| 159 | I | 97.1 | Very high | 95.1 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -75.6 | 127.6 | 176.2 | -60.4 | 175 | 0 | 0 | 0 | 107.9 | I15 F18 V26 V156 F161 | I15-I159 HydrophobicContact CG1-CD1 4.24Å; F18-I159 HydrophobicContact CB-CD1 4.09Å; F18-I159 HydrophobicContact CD1-CB 4.27Å; F18-I159 HydrophobicContact CD1-CD1 4.04Å; F18-I159 HydrophobicContact CD1-CG1 3.73Å; F18-I159 HydrophobicContact CD1-CG2 3.78Å; F18-I159 HydrophobicContact CD2-CG2 3.76Å; F18-I159 HydrophobicContact CE1-CB 4.32Å; F18-I159 HydrophobicContact CE1-CG1 4.14Å; F18-I159 HydrophobicContact CE1-CG2 3.83Å; F18-I159 HydrophobicContact CE2-CG2 3.82Å; F18-I159 HydrophobicContact CG-CD1 4.15Å; F18-I159 HydrophobicContact CG-CG1 4.24Å; F18-I159 HydrophobicContact CG-CG2 3.75Å; F18-I159 HydrophobicContact CZ-CG2 3.86Å; V26-I159 HydrophobicContact CB-CG2 4.5Å; V26-I159 HydrophobicContact CG2-CG2 3.53Å; V156-I159 VanDerWaalsContact O-CB 3.3Å; V156-I159 WeakPolarHBondContact O-CB 3.41Å; V156-I159 PolarHBondContact O-N 2.91Å; I159-F161 HydrophobicContact CB-CD2 4.36Å; I159-F161 HydrophobicContact CB-CE2 3.7Å; I159-F161 HydrophobicContact CB-CZ 4.17Å; I159-F161 HydrophobicContact CG2-CD2 4.35Å; I159-F161 HydrophobicContact CG2-CE2 3.88Å; I159-F161 HydrophobicContact CG2-CZ 4.02Å; I159-F161 WeakPolarHBondContact O-CD2 3.36Å; I159-F161 WeakPolarHBondContact O-CE2 3.28Å; I159-F161 PolarHBondContact O-N 3.1Å |
| 160 | P | 97.2 | Very high | 94.9 | Very high | 60 Ų | 60 | 35.6 Ų | 35.6 | 39% | 0.39 | 19% | 0.186 | S | C | . | . | trans | -68.4 | 120.2 | 172.8 | 25.3 | -31.8 | 0 | 0 | 0 | 110.3 | F18 E24 S25 V26 | F18-P160 HydrophobicContact CZ-CG 3.92Å; E24-P160 WeakPolarHBondContact O-CG 3.45Å; S25-P160 CarbonylContact C-O 3.59Å; S25-P160 VanDerWaalsContact CA-O 3.25Å; S25-P160 WeakPolarHBondContact CA-O 3.26Å; S25-P160 WeakPolarHBondContact CB-O 3.49Å; V26-P160 PolarHBondContact N-O 2.99Å | ||
| 161 | F | 98 | Very high | 94.9 | Very high | 20 Ų | 20 | 35.2 Ų | 35.2 | 9% | 0.088 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -108.8 | 138.1 | 174.3 | -71.9 | -89.8 | 0 | 0 | 0 | 110 | V26 L33 L36 L110 N111 V156 I159 L163 | V26-F161 HydrophobicContact CB-CD1 3.55Å; V26-F161 HydrophobicContact CB-CE1 3.72Å; V26-F161 HydrophobicContact CB-CG 4.3Å; V26-F161 HydrophobicContact CG1-CD1 3.63Å; V26-F161 HydrophobicContact CG1-CE1 3.57Å; V26-F161 HydrophobicContact CG2-CD1 4.35Å; V26-F161 HydrophobicContact CG2-CE1 4.13Å; V26-F161 WeakPolarHBondContact O-CA 3.29Å; L33-F161 HydrophobicContact CD1-CD1 4.35Å; L33-F161 HydrophobicContact CD1-CE1 3.96Å; L36-F161 HydrophobicContact CD2-CE1 4.14Å; L36-F161 HydrophobicContact CD2-CZ 3.83Å; L110-F161 HydrophobicContact CB-CD1 4.2Å; L110-F161 HydrophobicContact CB-CD2 4.15Å; L110-F161 HydrophobicContact CB-CE1 4.42Å; L110-F161 HydrophobicContact CB-CE2 4.38Å; L110-F161 HydrophobicContact CB-CG 4.08Å; L110-F161 HydrophobicContact CD1-CE1 4.43Å; L110-F161 HydrophobicContact CD2-CD2 4.48Å; L110-F161 HydrophobicContact CD2-CE1 4.33Å; L110-F161 HydrophobicContact CD2-CE2 3.9Å; L110-F161 HydrophobicContact CD2-CZ 3.83Å; L110-F161 WeakPolarHBondContact O-CD2 3.36Å; N111-F161 PolarHBondContact OD1-O 3.19Å; V156-F161 HydrophobicContact CG1-CE2 4Å; V156-F161 HydrophobicContact CG1-CZ 3.96Å; V156-F161 WeakPolarHBondContact O-CE2 3.24Å; I159-F161 HydrophobicContact CB-CD2 4.36Å; I159-F161 HydrophobicContact CB-CE2 3.7Å; I159-F161 HydrophobicContact CB-CZ 4.17Å; I159-F161 HydrophobicContact CG2-CD2 4.35Å; I159-F161 HydrophobicContact CG2-CE2 3.88Å; I159-F161 HydrophobicContact CG2-CZ 4.02Å; I159-F161 WeakPolarHBondContact O-CD2 3.36Å; I159-F161 WeakPolarHBondContact O-CE2 3.28Å; I159-F161 PolarHBondContact O-N 3.1Å; F161-L163 HydrophobicContact CB-CG 4.24Å; F161-L163 HydrophobicContact CD1-CD1 4.29Å; F161-L163 HydrophobicContact CD1-CD2 4.24Å; F161-L163 HydrophobicContact CD1-CG 4.31Å |
| 162 | N | 96.7 | Very high | 94.7 | Very high | 108 Ų | 108 | 32.7 Ų | 32.7 | 58% | 0.578 | 17% | 0.165 | S | C | * | . | trans | -131.8 | 71.7 | 172.2 | -175.1 | 26.8 | 0 | 0 | 0 | 108.9 | V26 N111 | V26-N162 PolarHBondContact O-N 3.48Å; N111-N162 WeakPolarHBondContact OD1-CA 3.48Å | ||
| 163 | L | 95.7 | Very high | 94.4 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | trans | -91.4 | 141.8 | -176.4 | -54.2 | -177 | 0 | 0 | 0 | 110.8 | L33 R107 L110 N111 F161 V165 | L33-L163 HydrophobicContact CD1-CD1 4.46Å; L33-L163 HydrophobicContact CD1-CD2 4.26Å; L33-L163 HydrophobicContact CD2-CD2 3.52Å; R107-L163 HydrophobicContact CB-CD1 4.31Å; L110-L163 HydrophobicContact CB-CD1 4.17Å; N111-L163 PolarHBondContact OD1-N 3.29Å; F161-L163 HydrophobicContact CB-CG 4.24Å; F161-L163 HydrophobicContact CD1-CD1 4.29Å; F161-L163 HydrophobicContact CD1-CD2 4.24Å; F161-L163 HydrophobicContact CD1-CG 4.31Å; L163-V165 PolarHBondContact O-N 2.57Å | ||
| 164 | N | 92.3 | Very high | 94.2 | Very high | 49 Ų | 49 | 36.6 Ų | 36.6 | 26% | 0.262 | 18% | 0.183 | S | C | . | . | trans | -77.3 | 89.7 | 167.2 | -175.5 | -8.2 | 0 | 0 | 0 | 109.8 | D28 R107 D166 N167 F180 | D28-N164 WeakPolarHBondContact OD2-CA 3.43Å; D28-N164 VanDerWaalsContact OD2-CB 3.24Å; D28-N164 WeakPolarHBondContact OD2-CB 3.4Å; D28-N164 PolarHBondContact OD2-N 3.28Å; R107-N164 PolarHBondContact NH2-O 2.84Å; N164-D166 PolarHBondContact O-N 2.98Å; N164-D166 WeakPolarHBondContact OD1-CB 3.38Å; N164-D166 PolarHBondContact OD1-N 3.46Å; N164-D166 VanDerWaalsContact OD1-N 3.07Å; N164-N167 HydrophobicContact CB-CB 4.3Å; N164-N167 WeakPolarHBondContact O-CB 3.23Å; N164-N167 PolarHBondContact O-N 3.22Å; N164-N167 VanDerWaalsContact O-N 3.17Å; N164-N167 PolarHBondContact OD1-N 3.07Å; N164-F180 WeakPolarHBondContact ND2-CD1 3.37Å; N164-F180 WeakPolarHBondContact ND2-CE1 3.16Å; N164-F180 WeakPolarHBondContact ND2-CG 3.42Å | ||
| 165 | V | 91.8 | Very high | 94 | Very high | 16 Ų | 16 | 36.1 Ų | 36.1 | 10% | 0.097 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -10.4 | 178.8 | -67.3 | 0 | 0 | 0 | 0 | 113.7 | M108 N111 L163 | M108-V165 HydrophobicContact CG-CB 4.27Å; M108-V165 HydrophobicContact CG-CG1 4.04Å; N111-V165 HydrophobicContact CB-CG1 4.21Å; L163-V165 PolarHBondContact O-N 2.57Å |
| 166 | D | 85.8 | Confident | 93.7 | Very high | 62 Ų | 62 | 34.1 Ų | 34.1 | 33% | 0.332 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -19.6 | 172.4 | -68.3 | -55.7 | 0 | 0 | 0 | 112.7 | R88 N164 T168 | R88-D166 IonicContact CZ-OD1 2.65Å; R88-D166 IonicContact NH2-OD1 3.09Å; R88-D166 PolarHBondContact NH2-OD1 3.23Å; R88-D166 IonicContact NH2-OD2 2.74Å; R88-D166 PolarHBondContact NH2-OD2 3.46Å; N164-D166 PolarHBondContact O-N 2.98Å; N164-D166 WeakPolarHBondContact OD1-CB 3.38Å; N164-D166 PolarHBondContact OD1-N 3.46Å; N164-D166 VanDerWaalsContact OD1-N 3.07Å; D166-T168 VanDerWaalsContact C-N 3.31Å; D166-T168 PolarHBondContact O-N 3.19Å |
| 167 | N | 89.4 | Confident | 93.4 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | trans | -71 | 90 | 168.3 | -170.2 | 6.1 | 0 | 0 | 0 | 109.7 | N164 P178 F180 | N164-N167 HydrophobicContact CB-CB 4.3Å; N164-N167 WeakPolarHBondContact O-CB 3.23Å; N164-N167 PolarHBondContact O-N 3.22Å; N164-N167 VanDerWaalsContact O-N 3.17Å; N164-N167 PolarHBondContact OD1-N 3.07Å; N167-P178 PolarHBondContact ND2-O 3.02Å; N167-F180 HydrophobicContact CB-CB 4.05Å; N167-F180 HydrophobicContact CB-CD2 4.11Å; N167-F180 HydrophobicContact CB-CG 4.19Å | ||
| 168 | T | 91.2 | Very high | 93.1 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | trans | -112 | -1.1 | -177.1 | 57.5 | 0 | 0 | 0 | 0 | 113.2 | S94 L104 D166 F170 L171 | S94-T168 WeakPolarHBondContact CB-OG1 3.43Å; S94-T168 WeakPolarHBondContact OG-CB 3.05Å; S94-T168 PolarHBondContact OG-OG1 2.86Å; L104-T168 HydrophobicContact CD1-CG2 3.75Å; L104-T168 HydrophobicContact CD2-CG2 4.05Å; D166-T168 VanDerWaalsContact C-N 3.31Å; D166-T168 PolarHBondContact O-N 3.19Å; T168-F170 PolarHBondContact O-N 2.94Å; T168-L171 HydrophobicContact CG2-CD1 4.27Å; T168-L171 PolarHBondContact O-N 3.47Å | ||
| 169 | E | 90.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 132.2 | -179.2 | -62.3 | -63.5 | 175 | 0 | 0 | 110.2 | L171 L177 P178 H201 S226 H234 T257 | E169-L171 PolarHBondContact O-N 2.95Å; E169-L171 VanDerWaalsContact O-N 3.1Å; E169-L177 VanDerWaalsContact O-CD2 3.28Å; E169-L177 WeakPolarHBondContact O-CD2 3.38Å; E169-P178 HydrophobicContact CB-CG 4.39Å; E169-H201 IonicContact OE2-CE1 2.61Å; E169-H201 PolarHBondContact OE2-CE1 3.05Å; E169-H201 IonicContact OE2-ND1 3.6Å; E169-H201 PolarHBondContact OE2-ND1 3.4Å; E169-S226 VanDerWaalsContact CD-OG 3.32Å; E169-S226 WeakPolarHBondContact CG-OG 3.23Å; E169-S226 WeakPolarHBondContact OE1-CA 3.33Å; E169-S226 VanDerWaalsContact OE1-CB 3.24Å; E169-S226 WeakPolarHBondContact OE1-CB 3.36Å; E169-S226 PolarHBondContact OE1-OG 3.24Å; E169-H234 IonicContact OE2-CG 3.34Å; E169-H234 IonicContact OE2-ND1 3.21Å; E169-T257 HydrophobicContact CB-CG2 4.49Å; E169-T257 HydrophobicContact CG-CG2 4.36Å; E169-T257 WeakPolarHBondContact CG-OG1 3.48Å |
| 170 | F | 93 | Very high | 92.7 | Very high | 7 Ų | 7 | 28.6 Ų | 28.6 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 10.8 | 176.8 | -49.8 | -81.9 | 0 | 0 | 0 | 116.5 | T168 D172 E173 T174 P178 H201 I224 Y267 R269 L270 | T168-F170 PolarHBondContact O-N 2.94Å; F170-D172 PolarHBondContact O-N 2.79Å; F170-E173 WeakPolarHBondContact CA-OE2 3.46Å; F170-E173 WeakPolarHBondContact CB-OE2 3.5Å; F170-E173 VanDerWaalsContact CD1-OE2 3.31Å; F170-E173 WeakPolarHBondContact CD1-OE2 3.37Å; F170-E173 PolarHBondContact O-N 3.42Å; F170-T174 HydrophobicContact CB-CG2 4.13Å; F170-T174 PolarHBondContact O-N 3.48Å; F170-P178 HydrophobicContact CD2-CG 4.11Å; F170-P178 HydrophobicContact CE2-CG 4.42Å; F170-H201 AromaticContact CE1-CE1 3.94Å; F170-H201 AromaticContact CE1-NE2 3.77Å; F170-H201 AromaticContact CZ-CE1 3.97Å; F170-I224 HydrophobicContact CE2-CD1 3.86Å; F170-I224 HydrophobicContact CZ-CD1 3.72Å; F170-Y267 HydrophobicContact CB-CE1 4.31Å; F170-Y267 WeakPolarHBondContact CB-OH 3.48Å; F170-Y267 HydrophobicContact CD1-CE1 4.28Å; F170-Y267 HydrophobicContact CD2-CD1 4.27Å; F170-Y267 AromaticContact CD2-CE1 3.36Å; F170-Y267 HydrophobicContact CD2-CE1 3.36Å; F170-Y267 HydrophobicContact CE1-CE1 4.48Å; F170-Y267 HydrophobicContact CE2-CD1 4.11Å; F170-Y267 AromaticContact CE2-CE1 3.62Å; F170-Y267 HydrophobicContact CE2-CE1 3.62Å; F170-Y267 AromaticContact CG-CE1 3.72Å; F170-Y267 HydrophobicContact CG-CE1 3.72Å; F170-Y267 HydrophobicContact CZ-CE1 4.17Å; F170-R269 HydrophobicContact CB-CB 4.49Å; F170-R269 HydrophobicContact CD1-CB 3.57Å; F170-R269 HydrophobicContact CD1-CG 4.4Å; F170-R269 HydrophobicContact CE1-CB 3.93Å; F170-R269 HydrophobicContact CG-CB 4.05Å; F170-L270 HydrophobicContact CZ-CB 4.47Å |
| 171 | L | 94.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -22.9 | 174 | -81.1 | 179.7 | 0 | 0 | 0 | 112.5 | V95 G100 R103 L104 T168 E169 E173 L177 | V95-L171 HydrophobicContact CG1-CB 3.8Å; V95-L171 HydrophobicContact CG1-CD1 4.23Å; G100-L171 VanDerWaalsContact CA-O 3.29Å; G100-L171 WeakPolarHBondContact CA-O 3.32Å; R103-L171 HydrophobicContact CB-CD2 4.18Å; R103-L171 VanDerWaalsContact CD-O 3.24Å; R103-L171 WeakPolarHBondContact CD-O 3.24Å; R103-L171 PolarHBondContact NH1-O 3.18Å; L104-L171 HydrophobicContact CB-CD1 4.06Å; L104-L171 HydrophobicContact CD1-CD1 4.08Å; T168-L171 HydrophobicContact CG2-CD1 4.27Å; T168-L171 PolarHBondContact O-N 3.47Å; E169-L171 PolarHBondContact O-N 2.95Å; E169-L171 VanDerWaalsContact O-N 3.1Å; L171-E173 VanDerWaalsContact C-N 3.28Å; L171-E173 PolarHBondContact O-N 3.43Å; L171-L177 HydrophobicContact CD2-CD1 4.36Å; L171-L177 HydrophobicContact CD2-CD2 3.69Å; L171-L177 HydrophobicContact CD2-CG 4.37Å; L171-L177 HydrophobicContact CG-CD2 3.93Å |
| 172 | D | 92.9 | Very high | 92.1 | Very high | 20 Ų | 20 | 33.6 Ų | 33.6 | 11% | 0.107 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -31.1 | 172.7 | -81.1 | -35 | 0 | 0 | 0 | 112.1 | T96 T97 G100 R103 F170 | T96-D172 PolarHBondContact N-OD1 2.88Å; T96-D172 PolarHBondContact N-OD2 3.42Å; T96-D172 PolarHBondContact OG1-OD2 3.29Å; T97-D172 WeakPolarHBondContact CA-OD1 3.43Å; T97-D172 VanDerWaalsContact CB-OD1 3.23Å; T97-D172 WeakPolarHBondContact CB-OD1 3.41Å; T97-D172 HydrophobicContact CG2-CB 3.92Å; T97-D172 WeakPolarHBondContact CG2-OD1 3.3Å; T97-D172 PolarHBondContact N-OD1 3.17Å; T97-D172 PolarHBondContact OG1-OD1 3.22Å; G100-D172 WeakPolarHBondContact CA-OD1 3.44Å; R103-D172 PolarHBondContact NH1-O 2.94Å; F170-D172 PolarHBondContact O-N 2.79Å |
| 173 | E | 91.8 | Very high | 91.8 | Very high | 95 Ų | 95 | 30 Ų | 30 | 44% | 0.444 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -40.2 | -178.9 | -49.4 | 88.7 | -157 | 0 | 0 | 113.6 | R103 F170 L171 | R103-E173 PolarHBondContact NH1-O 3.28Å; R103-E173 PolarHBondContact NH2-O 3.22Å; F170-E173 WeakPolarHBondContact CA-OE2 3.46Å; F170-E173 WeakPolarHBondContact CB-OE2 3.5Å; F170-E173 VanDerWaalsContact CD1-OE2 3.31Å; F170-E173 WeakPolarHBondContact CD1-OE2 3.37Å; F170-E173 PolarHBondContact O-N 3.42Å; L171-E173 VanDerWaalsContact C-N 3.28Å; L171-E173 PolarHBondContact O-N 3.43Å |
| 174 | T | 93.7 | Very high | 91.4 | Very high | 16 Ų | 16 | 34.4 Ų | 34.4 | 10% | 0.098 | 19% | 0.191 | C | C | . | . | trans | -145.3 | 160.6 | -165.1 | -176.8 | 0 | 0 | 0 | 0 | 114.8 | F170 C176 Y267 R269 | F170-T174 HydrophobicContact CB-CG2 4.13Å; F170-T174 PolarHBondContact O-N 3.48Å; T174-C176 VanDerWaalsContact CG2-O 3.26Å; T174-C176 WeakPolarHBondContact CG2-O 3.31Å; T174-C176 PolarHBondContact OG1-N 3.12Å; T174-C176 VanDerWaalsContact OG1-N 3.1Å; T174-Y267 WeakPolarHBondContact CG2-OH 3.29Å; T174-R269 HydrophobicContact CG2-CG 3.79Å | ||
| 175 | W | 93.8 | Very high | 91 | Very high | 13 Ų | 13 | 32.5 Ų | 32.5 | 5% | 0.049 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -90 | -22.1 | 167.6 | -83 | 112.8 | 0 | 0 | 0 | 113.6 | Q34 C37 E38 E41 R103 I106 R107 L177 | Q34-W175 HydrophobicContact CG-CB 3.92Å; C37-W175 HydrophobicContact CB-CD2 3.5Å; C37-W175 VanDerWaalsContact CB-CD2 3.5Å; C37-W175 HydrophobicContact CB-CE3 3.46Å; C37-W175 VanDerWaalsContact CB-CE3 3.46Å; C37-W175 HydrophobicContact CB-CG 4.19Å; C37-W175 HydrophobicContact CB-CH2 3.64Å; C37-W175 HydrophobicContact CB-CZ2 3.69Å; C37-W175 HydrophobicContact CB-CZ3 3.53Å; E38-W175 HydrophobicContact CG-CB 4.05Å; E38-W175 VanDerWaalsContact CG-CD1 3.49Å; E38-W175 HydrophobicContact CG-CG 3.97Å; E41-W175 HydrophobicContact CB-CZ2 4.4Å; E41-W175 PolarHBondContact OE2-NE1 2.94Å; R103-W175 HydrophobicContact CB-CH2 3.6Å; R103-W175 HydrophobicContact CB-CZ2 3.58Å; R103-W175 HydrophobicContact CB-CZ3 4.09Å; R103-W175 HydrophobicContact CG-CD2 4.29Å; R103-W175 HydrophobicContact CG-CH2 4Å; R103-W175 HydrophobicContact CG-CZ2 3.42Å; R103-W175 VanDerWaalsContact CG-CZ2 3.42Å; R103-W175 WeakPolarHBondContact O-CH2 3.06Å; I106-W175 HydrophobicContact CB-CH2 3.92Å; I106-W175 HydrophobicContact CB-CZ2 4.39Å; I106-W175 HydrophobicContact CD1-CH2 4.39Å; I106-W175 HydrophobicContact CD1-CZ2 4Å; I106-W175 HydrophobicContact CG2-CH2 3.81Å; I106-W175 HydrophobicContact CG2-CZ2 4.31Å; R107-W175 HydrophobicContact CG-CH2 4.19Å; R107-W175 HydrophobicContact CG-CZ3 3.64Å; W175-L177 PolarHBondContact O-N 3.39Å; W175-L177 VanDerWaalsContact O-N 3.1Å |
| 176 | C | 90.5 | Very high | 90.5 | Very high | 33 Ų | 33 | 35.9 Ų | 35.9 | 22% | 0.223 | 20% | 0.201 | C | C | . | . | trans | -71.4 | 100.8 | 172.4 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | T174 Y267 | T174-C176 VanDerWaalsContact CG2-O 3.26Å; T174-C176 WeakPolarHBondContact CG2-O 3.31Å; T174-C176 PolarHBondContact OG1-N 3.12Å; T174-C176 VanDerWaalsContact OG1-N 3.1Å; C176-Y267 WeakPolarHBondContact O-CE2 3.49Å; C176-Y267 PolarHBondContact O-OH 3.3Å | ||
| 177 | L | 91.4 | Very high | 90.2 | Very high | 29 Ų | 29 | 36 Ų | 36 | 15% | 0.152 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -88.4 | 146.9 | -179.5 | -67.8 | -179.5 | 0 | 0 | 0 | 111 | R107 E169 L171 W175 | R107-L177 VanDerWaalsContact CZ-CD1 3.42Å; E169-L177 VanDerWaalsContact O-CD2 3.28Å; E169-L177 WeakPolarHBondContact O-CD2 3.38Å; L171-L177 HydrophobicContact CD2-CD1 4.36Å; L171-L177 HydrophobicContact CD2-CD2 3.69Å; L171-L177 HydrophobicContact CD2-CG 4.37Å; L171-L177 HydrophobicContact CG-CD2 3.93Å; W175-L177 PolarHBondContact O-N 3.39Å; W175-L177 VanDerWaalsContact O-N 3.1Å |
| 178 | P | 91.5 | Very high | 89.5 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.019 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 157.9 | 170.5 | 31.9 | -34.8 | 0 | 0 | 0 | 111.2 | N167 E169 F170 F180 T257 Y267 | N167-P178 PolarHBondContact ND2-O 3.02Å; E169-P178 HydrophobicContact CB-CG 4.39Å; F170-P178 HydrophobicContact CD2-CG 4.11Å; F170-P178 HydrophobicContact CE2-CG 4.42Å; P178-F180 PolarHBondContact O-N 3.11Å; P178-T257 HydrophobicContact CB-CG2 3.54Å; P178-T257 HydrophobicContact CG-CG2 3.19Å; P178-Y267 HydrophobicContact CB-CD1 3.85Å; P178-Y267 HydrophobicContact CB-CD2 3.94Å; P178-Y267 HydrophobicContact CB-CE1 4.11Å; P178-Y267 HydrophobicContact CB-CE2 4.24Å; P178-Y267 HydrophobicContact CB-CG 3.77Å; P178-Y267 HydrophobicContact CG-CD1 4.25Å; P178-Y267 HydrophobicContact CG-CE1 4.07Å |
| 179 | T | 91.7 | Very high | 88.7 | Confident | 22 Ų | 22 | 46.8 Ų | 46.8 | 14% | 0.135 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 128.1 | 174.3 | -59.6 | 0 | 0 | 0 | 0 | 110.1 | K258 | T179-K258 HydrophobicContact CG2-CG 4.39Å; T179-K258 PolarHBondContact O-N 2.86Å |
| 180 | F | 92.6 | Very high | 88.2 | Confident | 34 Ų | 34 | 53.6 Ų | 53.6 | 15% | 0.149 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 135.7 | 178 | -177 | -78.3 | 0 | 0 | 0 | 110.4 | N164 N167 P178 A182 T227 G255 V256 | N164-F180 WeakPolarHBondContact ND2-CD1 3.37Å; N164-F180 WeakPolarHBondContact ND2-CE1 3.16Å; N164-F180 WeakPolarHBondContact ND2-CG 3.42Å; N167-F180 HydrophobicContact CB-CB 4.05Å; N167-F180 HydrophobicContact CB-CD2 4.11Å; N167-F180 HydrophobicContact CB-CG 4.19Å; P178-F180 PolarHBondContact O-N 3.11Å; F180-A182 HydrophobicContact CE1-CB 4.38Å; F180-T227 HydrophobicContact CZ-CG2 4.35Å; F180-G255 VanDerWaalsContact CZ-CA 3.43Å; F180-V256 CarbonylContact C-O 3.6Å; F180-V256 WeakPolarHBondContact CA-O 3.43Å |
| 181 | K | 91.5 | Very high | 87.6 | Confident | 102 Ų | 102 | 54 Ų | 54 | 44% | 0.443 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 137.5 | 175.5 | -64.1 | -170.7 | 178.2 | -176.9 | 0 | 110.5 | F183 G255 V256 K258 | K181-F183 HydrophobicContact CB-CD2 4.43Å; K181-F183 HydrophobicContact CB-CE1 4.26Å; K181-F183 HydrophobicContact CB-CE2 3.57Å; K181-F183 HydrophobicContact CB-CZ 3.48Å; K181-F183 VanDerWaalsContact CB-CZ 3.48Å; K181-F183 HydrophobicContact CD-CE1 4.47Å; K181-F183 HydrophobicContact CD-CZ 3.74Å; K181-F183 HydrophobicContact CG-CZ 4.25Å; K181-G255 WeakPolarHBondContact O-CA 3.4Å; K181-V256 PolarHBondContact N-O 3.29Å; K181-V256 PolarHBondContact O-N 3.2Å; K181-K258 HydrophobicContact CD-CD 4.18Å; K181-K258 HydrophobicContact CD-CG 4.17Å; K181-K258 HydrophobicContact CG-CD 4.43Å; K181-K258 HydrophobicContact CG-CG 4.16Å |
| 182 | A | 91.4 | Very high | 87 | Confident | 83 Ų | 83 | 54.7 Ų | 54.7 | 69% | 0.686 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 129.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | F180 V254 | F180-A182 HydrophobicContact CE1-CB 4.38Å; A182-V254 WeakPolarHBondContact CA-O 3.47Å |
| 183 | F | 90.2 | Very high | 86.8 | Confident | 33 Ų | 33 | 55.2 Ų | 55.2 | 15% | 0.145 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 154.1 | 177 | -56 | -71.6 | 0 | 0 | 0 | 109.6 | K181 F185 Q218 P253 V254 V256 | K181-F183 HydrophobicContact CB-CD2 4.43Å; K181-F183 HydrophobicContact CB-CE1 4.26Å; K181-F183 HydrophobicContact CB-CE2 3.57Å; K181-F183 HydrophobicContact CB-CZ 3.48Å; K181-F183 VanDerWaalsContact CB-CZ 3.48Å; K181-F183 HydrophobicContact CD-CE1 4.47Å; K181-F183 HydrophobicContact CD-CZ 3.74Å; K181-F183 HydrophobicContact CG-CZ 4.25Å; F183-F185 HydrophobicContact CB-CD2 4.48Å; F183-F185 HydrophobicContact CB-CE1 4.42Å; F183-F185 HydrophobicContact CB-CE2 3.78Å; F183-F185 HydrophobicContact CB-CZ 3.74Å; F183-F185 HydrophobicContact CD2-CZ 4.49Å; F183-F185 HydrophobicContact CG-CZ 4.24Å; F183-Q218 HydrophobicContact CD1-CB 3.94Å; F183-Q218 HydrophobicContact CD1-CG 3.82Å; F183-Q218 HydrophobicContact CD2-CB 4.39Å; F183-Q218 HydrophobicContact CE1-CB 3.78Å; F183-Q218 HydrophobicContact CE1-CG 3.65Å; F183-Q218 HydrophobicContact CE2-CB 4.22Å; F183-Q218 WeakPolarHBondContact CE2-O 3.46Å; F183-Q218 HydrophobicContact CG-CB 4.24Å; F183-Q218 HydrophobicContact CZ-CB 3.91Å; F183-Q218 HydrophobicContact CZ-CG 4.25Å; F183-Q218 VanDerWaalsContact CZ-O 3.25Å; F183-Q218 WeakPolarHBondContact CZ-O 3.27Å; F183-P253 CarbonylContact O-C 3.58Å; F183-P253 VanDerWaalsContact O-CA 3.3Å; F183-P253 WeakPolarHBondContact O-CA 3.47Å; F183-V254 PolarHBondContact N-O 3.43Å; F183-V254 PolarHBondContact O-N 3.42Å; F183-V256 HydrophobicContact CD2-CB 4.28Å; F183-V256 HydrophobicContact CD2-CG2 3.7Å; F183-V256 HydrophobicContact CE2-CB 4.03Å; F183-V256 HydrophobicContact CE2-CG2 3.91Å |
| 184 | T | 88.5 | Confident | 86.7 | Confident | 98 Ų | 98 | 56.7 Ų | 56.7 | 60% | 0.601 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 114.6 | 170 | -60.1 | 0 | 0 | 0 | 0 | 108.1 | P251 | T184-P251 HydrophobicContact CG2-CB 3.64Å |
| 185 | F | 83.8 | Confident | 86.6 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 4% | 0.039 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 157.4 | 179.3 | -57.4 | -76.1 | 0 | 0 | 0 | 111.1 | F183 L191 V212 V213 Q218 I219 P251 I252 V254 | F183-F185 HydrophobicContact CB-CD2 4.48Å; F183-F185 HydrophobicContact CB-CE1 4.42Å; F183-F185 HydrophobicContact CB-CE2 3.78Å; F183-F185 HydrophobicContact CB-CZ 3.74Å; F183-F185 HydrophobicContact CD2-CZ 4.49Å; F183-F185 HydrophobicContact CG-CZ 4.24Å; F185-L191 HydrophobicContact CB-CD2 4.28Å; F185-L191 HydrophobicContact CD2-CD2 4.14Å; F185-L191 HydrophobicContact CG-CD2 4.32Å; F185-V212 HydrophobicContact CB-CG1 3.95Å; F185-V212 HydrophobicContact CD1-CG1 3.82Å; F185-V212 HydrophobicContact CG-CG1 4.26Å; F185-V213 HydrophobicContact CD2-CG1 4.44Å; F185-V213 HydrophobicContact CE1-CB 4.37Å; F185-V213 HydrophobicContact CE1-CG1 4.12Å; F185-V213 HydrophobicContact CE2-CG1 4.09Å; F185-V213 HydrophobicContact CZ-CB 4.29Å; F185-V213 HydrophobicContact CZ-CG1 3.92Å; F185-Q218 HydrophobicContact CE1-CB 4.38Å; F185-Q218 HydrophobicContact CZ-CB 4.36Å; F185-I219 HydrophobicContact CE2-CD1 3.73Å; F185-I219 HydrophobicContact CZ-CD1 3.67Å; F185-I219 HydrophobicContact CZ-CG1 4.16Å; F185-P251 CarbonylContact O-C 3.54Å; F185-P251 WeakPolarHBondContact O-CA 3.36Å; F185-I252 HydrophobicContact CB-CB 4.27Å; F185-I252 PolarHBondContact N-O 2.95Å; F185-I252 PolarHBondContact O-N 3.42Å; F185-V254 HydrophobicContact CD2-CB 4.36Å; F185-V254 HydrophobicContact CD2-CG2 3.82Å; F185-V254 HydrophobicContact CE2-CB 4Å; F185-V254 HydrophobicContact CE2-CG2 3.89Å |
| 186 | V | 80.3 | Confident | 86.5 | Confident | 87 Ų | 87 | 60.2 Ų | 60.2 | 53% | 0.527 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 152.3 | 172 | -65.1 | 0 | 0 | 0 | 0 | 111.2 | C188 V212 | V186-C188 PolarHBondContact O-N 2.84Å; V186-V212 HydrophobicContact CG2-CG1 3.91Å; V186-V212 HydrophobicContact CG2-CG2 4.39Å |
| 187 | P | 80.9 | Confident | 86.6 | Confident | 66 Ų | 66 | 62.8 Ų | 62.8 | 43% | 0.429 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 124 | 172.7 | -15.9 | 25.1 | 0 | 0 | 0 | 110.6 | G249 | P187-G249 VanDerWaalsContact CG-O 3.31Å; P187-G249 WeakPolarHBondContact CG-O 3.47Å |
| 188 | C | 74.5 | Confident | 86.6 | Confident | 34 Ų | 34 | 61.7 Ų | 61.7 | 23% | 0.23 | 34% | 0.335 | C | S | . | . | trans | -146.9 | 155.5 | 179.9 | 56.7 | 0 | 0 | 0 | 0 | 111.2 | V186 M190 V212 R244 | V186-C188 PolarHBondContact O-N 2.84Å; C188-M190 PolarHBondContact SG-O 2.77Å; C188-V212 HydrophobicContact CB-CG2 4.07Å; C188-R244 PolarHBondContact O-NH2 2.97Å | ||
| 189 | K | 75 | Confident | 86.5 | Confident | 197 Ų | 197 | 65.8 Ų | 65.8 | 86% | 0.857 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -74.7 | -29.3 | 176.2 | -68.6 | -175.3 | 179.1 | 179.7 | 0 | 112.9 | R244 | K189-R244 VanDerWaalsContact O-CZ 3.26Å; K189-R244 PolarHBondContact O-NH1 3.11Å; K189-R244 PolarHBondContact O-NH2 2.86Å |
| 190 | M | 78.7 | Confident | 86.4 | Confident | 144 Ų | 144 | 65.3 Ų | 65.3 | 71% | 0.709 | 36% | 0.356 | S | S | * | . | trans | -138.1 | 126.6 | 176.6 | -61.8 | -168.3 | -58.5 | 0 | 0 | 108.6 | C188 G192 R244 | C188-M190 PolarHBondContact SG-O 2.77Å; M190-G192 PolarHBondContact O-N 2.93Å; M190-R244 VanDerWaalsContact N-NH2 3.17Å | ||
| 191 | L | 80.1 | Confident | 86.5 | Confident | 17 Ų | 17 | 64 Ų | 64 | 9% | 0.089 | 35% | 0.351 | C | S | . | . | trans | -68.1 | -28.8 | 175.6 | -82.3 | 171.2 | 0 | 0 | 0 | 111.6 | F185 V212 V213 M228 I252 | F185-L191 HydrophobicContact CB-CD2 4.28Å; F185-L191 HydrophobicContact CD2-CD2 4.14Å; F185-L191 HydrophobicContact CG-CD2 4.32Å; L191-V212 PolarHBondContact O-N 3.28Å; L191-V212 VanDerWaalsContact O-N 3.11Å; L191-V213 HydrophobicContact CB-CG1 3.76Å; L191-V213 HydrophobicContact CD2-CG1 3.8Å; L191-V213 HydrophobicContact CG-CG1 4.27Å; L191-V213 WeakPolarHBondContact O-CG1 3.13Å; L191-V213 WeakPolarHBondContact O-CG2 3.49Å; L191-V213 PolarHBondContact O-N 3.41Å; L191-V213 VanDerWaalsContact O-N 3.17Å; L191-M228 HydrophobicContact CD1-CE 3.62Å; L191-I252 HydrophobicContact CD2-CD1 3.89Å; L191-I252 HydrophobicContact CD2-CG2 4.32Å; L191-I252 HydrophobicContact CG-CD1 4.45Å | ||
| 192 | G | 83.1 | Confident | 86.6 | Confident | 13 Ų | 13 | 60.3 Ų | 60.3 | 13% | 0.134 | 33% | 0.334 | C | S | . | . | S | Bend | trans | 83.6 | 28.2 | -173 | 0 | 0 | 0 | 0 | 0 | 113.1 | M190 V207 D208 V213 | M190-G192 PolarHBondContact O-N 2.93Å; G192-V207 CarbonylContact O-C 3.49Å; G192-V207 WeakPolarHBondContact O-CA 3.41Å; G192-D208 WeakPolarHBondContact O-CB 3.35Å; G192-D208 PolarHBondContact O-N 2.96Å; G192-V213 WeakPolarHBondContact O-CG2 3.36Å |
| 193 | A | 88.3 | Confident | 86.7 | Confident | 32 Ų | 32 | 56.5 Ų | 56.5 | 26% | 0.264 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 138.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | V204 E206 V213 | A193-V204 HydrophobicContact CB-CG1 4.17Å; A193-E206 CarbonylContact C-O 3.57Å; A193-E206 WeakPolarHBondContact CA-O 3.39Å; A193-V213 HydrophobicContact CB-CG2 3.8Å |
| 194 | R | 89.8 | Confident | 87 | Confident | 126 Ų | 126 | 54.9 Ų | 54.9 | 48% | 0.475 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 134.9 | 165.4 | -171.8 | -179.9 | 166.2 | -177.7 | -7.8 | 108.3 | E196 V204 T205 E206 | R194-E196 IonicContact CZ-OE1 2.73Å; R194-E196 IonicContact NE-OE1 3.03Å; R194-E196 IonicContact NH2-OE1 3.92Å; R194-E196 PolarHBondContact NH2-OE1 3.24Å; R194-V204 WeakPolarHBondContact O-CA 3.39Å; R194-T205 PolarHBondContact O-N 2.89Å; R194-T205 PolarHBondContact O-OG1 3.46Å; R194-E206 HydrophobicContact CB-CB 3.88Å; R194-E206 HydrophobicContact CB-CG 4.43Å; R194-E206 IonicContact CZ-OE1 3.84Å; R194-E206 PolarHBondContact N-O 3.45Å; R194-E206 IonicContact NE-OE1 2.93Å; R194-E206 IonicContact NH1-OE1 2.74Å; R194-E206 PolarHBondContact NH1-OE1 3.36Å |
| 195 | V | 91.9 | Very high | 87.2 | Confident | 41 Ų | 41 | 51.4 Ų | 51.4 | 25% | 0.248 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 145.5 | 177.8 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | Y202 L203 V204 L225 L240 | V195-Y202 HydrophobicContact CG2-CD1 4.12Å; V195-L203 CarbonylContact C-O 3.53Å; V195-L203 WeakPolarHBondContact CA-O 3.42Å; V195-V204 HydrophobicContact CG1-CG2 4.01Å; V195-L225 HydrophobicContact CG1-CD1 3.66Å; V195-L225 HydrophobicContact CG1-CG 4.05Å; V195-L240 HydrophobicContact CG2-CD1 3.56Å |
| 196 | E | 91.7 | Very high | 87.6 | Confident | 61 Ų | 61 | 55.9 Ų | 55.9 | 29% | 0.285 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 148.7 | 173.5 | -65.5 | -175.4 | 172.4 | 0 | 0 | 109.7 | R194 Y202 L203 T205 Y279 | R194-E196 IonicContact CZ-OE1 2.73Å; R194-E196 IonicContact NE-OE1 3.03Å; R194-E196 IonicContact NH2-OE1 3.92Å; R194-E196 PolarHBondContact NH2-OE1 3.24Å; E196-Y202 CarbonylContact O-C 3.57Å; E196-L203 PolarHBondContact N-O 3.23Å; E196-L203 PolarHBondContact O-N 2.95Å; E196-T205 HydrophobicContact CB-CG2 3.95Å; E196-T205 HydrophobicContact CG-CG2 3.84Å; E196-Y279 PolarHBondContact OE2-OH 2.62Å |
| 197 | T | 91.5 | Very high | 88 | Confident | 88 Ų | 88 | 53.3 Ų | 53.3 | 54% | 0.54 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 119.5 | 177.7 | -53.3 | 0 | 0 | 0 | 0 | 110.2 | H201 | T197-H201 CarbonylContact C-O 3.53Å; T197-H201 VanDerWaalsContact CA-O 3.22Å; T197-H201 WeakPolarHBondContact CA-O 3.45Å |
| 198 | V | 91.8 | Very high | 88 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 4% | 0.036 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 114.8 | 178.6 | -173 | 0 | 0 | 0 | 0 | 108.4 | G200 H201 L203 L273 H277 Y279 | V198-G200 PolarHBondContact O-N 3.21Å; V198-H201 PolarHBondContact N-O 3.2Å; V198-H201 WeakPolarHBondContact O-CB 3.49Å; V198-H201 PolarHBondContact O-CD2 3.07Å; V198-H201 PolarHBondContact O-N 2.9Å; V198-L203 HydrophobicContact CG2-CB 4.14Å; V198-L203 HydrophobicContact CG2-CD2 3.97Å; V198-L273 HydrophobicContact CG1-CD1 4.1Å; V198-L273 HydrophobicContact CG1-CD2 4.21Å; V198-L273 HydrophobicContact CG1-CG 3.98Å; V198-H277 HydrophobicContact CG1-CB 3.97Å; V198-H277 VanDerWaalsContact CG1-CG 3.47Å; V198-H277 WeakPolarHBondContact CG1-ND1 2.94Å; V198-Y279 HydrophobicContact CG1-CE2 4.41Å; V198-Y279 HydrophobicContact CG2-CE2 3.73Å |
| 199 | D | 90.2 | Very high | 88.1 | Confident | 88 Ų | 88 | 55.9 Ų | 55.9 | 47% | 0.471 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.1 | 34.6 | -169.9 | -75.1 | -10.8 | 0 | 0 | 0 | 114.5 | L273 H277 | D199-L273 HydrophobicContact CB-CD1 3.8Å; D199-L273 WeakPolarHBondContact OD2-CD1 3.34Å; D199-H277 VanDerWaalsContact CG-CE1 3.44Å; D199-H277 IonicContact OD1-CE1 2.84Å; D199-H277 IonicContact OD1-NE2 3.7Å; D199-H277 PolarHBondContact OD1-NE2 3.07Å; D199-H277 IonicContact OD2-CE1 3.84Å; D199-H277 PolarHBondContact OD2-CE1 3.33Å; D199-H277 VanDerWaalsContact OD2-CE1 3.26Å; D199-H277 IonicContact OD2-NE2 3.44Å |
| 200 | G | 89.5 | Confident | 88 | Confident | 12 Ų | 12 | 51.5 Ų | 51.5 | 12% | 0.124 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | -9.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | V198 H234 N235 | V198-G200 PolarHBondContact O-N 3.21Å; G200-H234 WeakPolarHBondContact O-CA 3.24Å; G200-H234 PolarHBondContact O-CD2 3.49Å; G200-N235 PolarHBondContact O-N 3.18Å |
| 201 | H | 93 | Very high | 87.7 | Confident | 7 Ų | 7 | 45 Ų | 45 | 3% | 0.032 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 142.4 | 174 | -57.7 | -80.9 | 0 | 0 | 0 | 111.2 | E169 F170 T197 V198 L203 I224 H234 | E169-H201 IonicContact OE2-CE1 2.61Å; E169-H201 PolarHBondContact OE2-CE1 3.05Å; E169-H201 IonicContact OE2-ND1 3.6Å; E169-H201 PolarHBondContact OE2-ND1 3.4Å; F170-H201 AromaticContact CE1-CE1 3.94Å; F170-H201 AromaticContact CE1-NE2 3.77Å; F170-H201 AromaticContact CZ-CE1 3.97Å; T197-H201 CarbonylContact C-O 3.53Å; T197-H201 VanDerWaalsContact CA-O 3.22Å; T197-H201 WeakPolarHBondContact CA-O 3.45Å; V198-H201 PolarHBondContact N-O 3.2Å; V198-H201 WeakPolarHBondContact O-CB 3.49Å; V198-H201 PolarHBondContact O-CD2 3.07Å; V198-H201 PolarHBondContact O-N 2.9Å; H201-L203 PolarHBondContact O-N 3.32Å; H201-I224 HydrophobicContact CB-CD1 4.09Å; H201-I224 HydrophobicContact CB-CG1 4.36Å; H201-I224 HydrophobicContact CB-CG2 4.16Å; H201-H234 AromaticContact CE1-CD2 3.92Å; H201-H234 AromaticContact CE1-CE1 3.51Å; H201-H234 AromaticContact CE1-ND1 3.77Å; H201-H234 AromaticContact CE1-NE2 3.64Å; H201-H234 AromaticContact ND1-CD2 3.84Å; H201-H234 AromaticContact ND1-CG 3.9Å; H201-H234 AromaticContact NE2-CE1 3.96Å; H201-H234 AromaticContact NE2-NE2 3.8Å |
| 202 | Y | 93.5 | Very high | 87.4 | Confident | 24 Ų | 24 | 45.7 Ų | 45.7 | 9% | 0.094 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 87 | 177.3 | -74.9 | -108.7 | 0 | 0 | 0 | 109.9 | V195 E196 I224 L225 L233 L238 L240 | V195-Y202 HydrophobicContact CG2-CD1 4.12Å; E196-Y202 CarbonylContact O-C 3.57Å; Y202-I224 CarbonylContact O-C 3.57Å; Y202-I224 WeakPolarHBondContact O-CA 3.44Å; Y202-L225 PolarHBondContact O-N 3.31Å; Y202-L233 HydrophobicContact CD2-CB 3.8Å; Y202-L233 HydrophobicContact CE2-CB 4.04Å; Y202-L233 WeakPolarHBondContact CE2-O 3.48Å; Y202-L233 HydrophobicContact CG-CB 4.44Å; Y202-L238 PolarHBondContact OH-O 3.14Å; Y202-L240 HydrophobicContact CD1-CD1 4.08Å; Y202-L240 HydrophobicContact CD1-CD2 4.36Å; Y202-L240 HydrophobicContact CD1-CG 4.18Å; Y202-L240 HydrophobicContact CE1-CD1 4.39Å; Y202-L240 HydrophobicContact CE1-CD2 4.24Å; Y202-L240 HydrophobicContact CE1-CG 4.01Å |
| 203 | L | 95.3 | Very high | 87.2 | Confident | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.016 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 127.5 | -179.9 | -179 | 68 | 0 | 0 | 0 | 110.6 | V195 E196 V198 H201 T205 G222 L270 L274 Y279 L282 | V195-L203 CarbonylContact C-O 3.53Å; V195-L203 WeakPolarHBondContact CA-O 3.42Å; E196-L203 PolarHBondContact N-O 3.23Å; E196-L203 PolarHBondContact O-N 2.95Å; V198-L203 HydrophobicContact CG2-CB 4.14Å; V198-L203 HydrophobicContact CG2-CD2 3.97Å; H201-L203 PolarHBondContact O-N 3.32Å; L203-T205 HydrophobicContact CD2-CG2 4.18Å; L203-T205 HydrophobicContact CG-CG2 4.26Å; L203-T205 PolarHBondContact O-N 3.38Å; L203-G222 VanDerWaalsContact CD1-O 3.27Å; L203-G222 WeakPolarHBondContact CD1-O 3.41Å; L203-L270 HydrophobicContact CD1-CD1 4.36Å; L203-L274 HydrophobicContact CD1-CD2 4.13Å; L203-L274 HydrophobicContact CD2-CD2 3.57Å; L203-Y279 HydrophobicContact CD2-CD1 4.28Å; L203-Y279 HydrophobicContact CD2-CD2 4.47Å; L203-Y279 HydrophobicContact CD2-CE1 4.03Å; L203-Y279 HydrophobicContact CD2-CE2 4.22Å; L203-Y279 HydrophobicContact CD2-CG 4.5Å; L203-L282 HydrophobicContact CD1-CD2 4.44Å; L203-L282 HydrophobicContact CD2-CD2 4.03Å |
| 204 | V | 95.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 113.3 | 171.8 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | A193 R194 V195 V207 I219 G222 D223 L225 | A193-V204 HydrophobicContact CB-CG1 4.17Å; R194-V204 WeakPolarHBondContact O-CA 3.39Å; V195-V204 HydrophobicContact CG1-CG2 4.01Å; V204-V207 HydrophobicContact CG1-CG2 3.62Å; V204-I219 HydrophobicContact CB-CG2 4.41Å; V204-I219 HydrophobicContact CG1-CG2 4.06Å; V204-I219 HydrophobicContact CG2-CG2 3.76Å; V204-G222 PolarHBondContact O-N 3.39Å; V204-D223 HydrophobicContact CG2-CB 4.36Å; V204-D223 WeakPolarHBondContact CG2-O 3.36Å; V204-D223 PolarHBondContact N-O 3.36Å; V204-L225 HydrophobicContact CG2-CD2 3.91Å; V204-L225 HydrophobicContact CG2-CG 3.96Å |
| 205 | T | 93.7 | Very high | 85.5 | Confident | 24 Ų | 24 | 42 Ų | 42 | 15% | 0.147 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -26.2 | -176.5 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | R194 E196 L203 V221 Y279 | R194-T205 PolarHBondContact O-N 2.89Å; R194-T205 PolarHBondContact O-OG1 3.46Å; E196-T205 HydrophobicContact CB-CG2 3.95Å; E196-T205 HydrophobicContact CG-CG2 3.84Å; L203-T205 HydrophobicContact CD2-CG2 4.18Å; L203-T205 HydrophobicContact CG-CG2 4.26Å; L203-T205 PolarHBondContact O-N 3.38Å; T205-V221 WeakPolarHBondContact O-CG1 3.44Å; T205-Y279 HydrophobicContact CG2-CE1 4.21Å |
| 206 | E | 90.9 | Very high | 84.3 | Confident | 103 Ų | 103 | 43.4 Ų | 43.4 | 48% | 0.481 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 144.8 | 176 | -57.3 | 167.6 | -154.4 | 0 | 0 | 109.1 | A193 R194 | A193-E206 CarbonylContact C-O 3.57Å; A193-E206 WeakPolarHBondContact CA-O 3.39Å; R194-E206 HydrophobicContact CB-CB 3.88Å; R194-E206 HydrophobicContact CB-CG 4.43Å; R194-E206 IonicContact CZ-OE1 3.84Å; R194-E206 PolarHBondContact N-O 3.45Å; R194-E206 IonicContact NE-OE1 2.93Å; R194-E206 IonicContact NH1-OE1 2.74Å; R194-E206 PolarHBondContact NH1-OE1 3.36Å |
| 207 | V | 88.4 | Confident | 83.4 | Confident | 34 Ų | 34 | 46.1 Ų | 46.1 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 124.1 | 171.3 | 174.4 | 0 | 0 | 0 | 0 | 107.5 | G192 V204 P209 V213 A214 V221 | G192-V207 CarbonylContact O-C 3.49Å; G192-V207 WeakPolarHBondContact O-CA 3.41Å; V204-V207 HydrophobicContact CG1-CG2 3.62Å; V207-P209 WeakPolarHBondContact O-CD 3.34Å; V207-V213 HydrophobicContact CG1-CG2 4.08Å; V207-A214 HydrophobicContact CG1-CB 3.72Å; V207-V221 HydrophobicContact CB-CG2 4.24Å; V207-V221 HydrophobicContact CG2-CG2 3.95Å |
| 208 | D | 81.7 | Confident | 82.9 | Confident | 67 Ų | 67 | 44 Ų | 44 | 36% | 0.358 | 24% | 0.243 | S | C | . | . | trans | -72.1 | 116.6 | 172 | -179.9 | -11.2 | 0 | 0 | 0 | 108.4 | G192 T210 G211 A214 | G192-D208 WeakPolarHBondContact O-CB 3.35Å; G192-D208 PolarHBondContact O-N 2.96Å; D208-T210 VanDerWaalsContact CG-OG1 3.29Å; D208-T210 PolarHBondContact O-N 2.9Å; D208-T210 WeakPolarHBondContact OD1-CB 3.37Å; D208-T210 PolarHBondContact OD1-N 2.74Å; D208-T210 PolarHBondContact OD1-OG1 3.39Å; D208-T210 PolarHBondContact OD2-OG1 3.35Å; D208-G211 WeakPolarHBondContact O-CA 3.43Å; D208-G211 PolarHBondContact O-N 3.44Å; D208-A214 VanDerWaalsContact O-CB 3.3Å; D208-A214 WeakPolarHBondContact O-CB 3.44Å | ||
| 209 | P | 75.9 | Confident | 82.8 | Confident | 87 Ų | 87 | 43.8 Ų | 43.8 | 57% | 0.565 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -19.1 | 179.7 | -22.6 | 33.8 | 0 | 0 | 0 | 114 | V207 T389 | V207-P209 WeakPolarHBondContact O-CD 3.34Å; P209-T389 WeakPolarHBondContact O-CB 3.4Å; P209-T389 PolarHBondContact O-OG1 3.23Å |
| 210 | T | 73.2 | Confident | 82.8 | Confident | 105 Ų | 105 | 41.7 Ų | 41.7 | 64% | 0.644 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -5 | 175.8 | 69.8 | 0 | 0 | 0 | 0 | 113 | D208 | D208-T210 VanDerWaalsContact CG-OG1 3.29Å; D208-T210 PolarHBondContact O-N 2.9Å; D208-T210 WeakPolarHBondContact OD1-CB 3.37Å; D208-T210 PolarHBondContact OD1-N 2.74Å; D208-T210 PolarHBondContact OD1-OG1 3.39Å; D208-T210 PolarHBondContact OD2-OG1 3.35Å |
| 211 | G | 72.2 | Confident | 83 | Confident | 8 Ų | 8 | 43.6 Ų | 43.6 | 8% | 0.082 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -75.9 | 157.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D208 V213 A214 | D208-G211 WeakPolarHBondContact O-CA 3.43Å; D208-G211 PolarHBondContact O-N 3.44Å; G211-V213 PolarHBondContact O-N 3.47Å; G211-A214 PolarHBondContact O-N 2.82Å |
| 212 | V | 73.6 | Confident | 83.2 | Confident | 30 Ų | 30 | 43.2 Ų | 43.2 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -62.6 | -31.7 | -179.4 | -174.8 | 0 | 0 | 0 | 0 | 111.7 | F185 V186 C188 L191 A214 | F185-V212 HydrophobicContact CB-CG1 3.95Å; F185-V212 HydrophobicContact CD1-CG1 3.82Å; F185-V212 HydrophobicContact CG-CG1 4.26Å; V186-V212 HydrophobicContact CG2-CG1 3.91Å; V186-V212 HydrophobicContact CG2-CG2 4.39Å; C188-V212 HydrophobicContact CB-CG2 4.07Å; L191-V212 PolarHBondContact O-N 3.28Å; L191-V212 VanDerWaalsContact O-N 3.11Å; V212-A214 VanDerWaalsContact C-N 3.35Å |
| 213 | V | 79.4 | Confident | 83.3 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -79.4 | -16 | -178 | -58.6 | 0 | 0 | 0 | 0 | 114.4 | F185 L191 G192 A193 V207 G211 E215 I219 | F185-V213 HydrophobicContact CD2-CG1 4.44Å; F185-V213 HydrophobicContact CE1-CB 4.37Å; F185-V213 HydrophobicContact CE1-CG1 4.12Å; F185-V213 HydrophobicContact CE2-CG1 4.09Å; F185-V213 HydrophobicContact CZ-CB 4.29Å; F185-V213 HydrophobicContact CZ-CG1 3.92Å; L191-V213 HydrophobicContact CB-CG1 3.76Å; L191-V213 HydrophobicContact CD2-CG1 3.8Å; L191-V213 HydrophobicContact CG-CG1 4.27Å; L191-V213 WeakPolarHBondContact O-CG1 3.13Å; L191-V213 WeakPolarHBondContact O-CG2 3.49Å; L191-V213 PolarHBondContact O-N 3.41Å; L191-V213 VanDerWaalsContact O-N 3.17Å; G192-V213 WeakPolarHBondContact O-CG2 3.36Å; A193-V213 HydrophobicContact CB-CG2 3.8Å; V207-V213 HydrophobicContact CG1-CG2 4.08Å; G211-V213 PolarHBondContact O-N 3.47Å; V213-E215 PolarHBondContact O-N 2.79Å; V213-I219 HydrophobicContact CB-CB 4.09Å; V213-I219 HydrophobicContact CB-CD1 3.95Å; V213-I219 HydrophobicContact CB-CG1 4.41Å; V213-I219 HydrophobicContact CG1-CD1 3.81Å; V213-I219 PolarHBondContact O-N 3.44Å |
| 214 | A | 73.2 | Confident | 83.3 | Confident | 15 Ų | 15 | 42.1 Ų | 42.1 | 12% | 0.124 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -77 | -12.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V207 D208 G211 V212 E216 | V207-A214 HydrophobicContact CG1-CB 3.72Å; D208-A214 VanDerWaalsContact O-CB 3.3Å; D208-A214 WeakPolarHBondContact O-CB 3.44Å; G211-A214 PolarHBondContact O-N 2.82Å; V212-A214 VanDerWaalsContact C-N 3.35Å; A214-E216 PolarHBondContact O-N 3.22Å |
| 215 | E | 68.7 | Low | 83.2 | Confident | 78 Ų | 78 | 42.4 Ų | 42.4 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -60.1 | 123 | 174.8 | -71.6 | -171.1 | -175.8 | 0 | 0 | 110.3 | V213 D217 Q218 T389 | V213-E215 PolarHBondContact O-N 2.79Å; E215-D217 PolarHBondContact O-N 3.06Å; E215-Q218 WeakPolarHBondContact O-CB 3.26Å; E215-Q218 WeakPolarHBondContact O-CG 3.48Å; E215-Q218 PolarHBondContact O-N 2.75Å; E215-T389 HydrophobicContact CG-CG2 3.59Å |
| 216 | E | 67.8 | Low | 83.2 | Confident | 71 Ų | 71 | 41.4 Ų | 41.4 | 33% | 0.332 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | 58 | 27.4 | 173.9 | -52.1 | -175.5 | 154.9 | 0 | 0 | 115.4 | A214 Q218 R387 R424 | A214-E216 PolarHBondContact O-N 3.22Å; E216-Q218 HydrophobicContact CB-CG 4.25Å; E216-Q218 PolarHBondContact O-N 3.15Å; E216-R387 IonicContact OE1-CZ 3.94Å; E216-R387 IonicContact OE1-NH1 3.81Å; E216-R387 PolarHBondContact OE1-NH1 3.19Å; E216-R387 IonicContact OE1-NH2 2.8Å; E216-R387 PolarHBondContact OE1-NH2 2.78Å; E216-R424 WeakPolarHBondContact OE1-CD 3.34Å; E216-R424 VanDerWaalsContact OE1-CG 3.28Å; E216-R424 WeakPolarHBondContact OE1-CG 3.21Å |
| 217 | D | 72.1 | Confident | 83.2 | Confident | 118 Ų | 118 | 37.4 Ų | 37.4 | 63% | 0.631 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | 52.9 | 29.1 | -177.9 | -58.7 | -53.2 | 0 | 0 | 0 | 112.1 | E215 I219 T220 K258 | E215-D217 PolarHBondContact O-N 3.06Å; D217-I219 VanDerWaalsContact C-N 3.25Å; D217-I219 PolarHBondContact O-N 3.31Å; D217-T220 HydrophobicContact CB-CG2 3.78Å; D217-K258 PolarHBondContact O-NZ 2.75Å |
| 218 | Q | 81.3 | Confident | 83.4 | Confident | 42 Ų | 42 | 35.9 Ų | 35.9 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -57.2 | -45.8 | -179.8 | -75.5 | 179.1 | 4.5 | 0 | 0 | 109.7 | F183 F185 E215 E216 K258 | F183-Q218 HydrophobicContact CD1-CB 3.94Å; F183-Q218 HydrophobicContact CD1-CG 3.82Å; F183-Q218 HydrophobicContact CD2-CB 4.39Å; F183-Q218 HydrophobicContact CE1-CB 3.78Å; F183-Q218 HydrophobicContact CE1-CG 3.65Å; F183-Q218 HydrophobicContact CE2-CB 4.22Å; F183-Q218 WeakPolarHBondContact CE2-O 3.46Å; F183-Q218 HydrophobicContact CG-CB 4.24Å; F183-Q218 HydrophobicContact CZ-CB 3.91Å; F183-Q218 HydrophobicContact CZ-CG 4.25Å; F183-Q218 VanDerWaalsContact CZ-O 3.25Å; F183-Q218 WeakPolarHBondContact CZ-O 3.27Å; F185-Q218 HydrophobicContact CE1-CB 4.38Å; F185-Q218 HydrophobicContact CZ-CB 4.36Å; E215-Q218 WeakPolarHBondContact O-CB 3.26Å; E215-Q218 WeakPolarHBondContact O-CG 3.48Å; E215-Q218 PolarHBondContact O-N 2.75Å; E216-Q218 HydrophobicContact CB-CG 4.25Å; E216-Q218 PolarHBondContact O-N 3.15Å; Q218-K258 PolarHBondContact O-NZ 3.3Å |
| 219 | I | 89.1 | Confident | 83.7 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -118.6 | 127.2 | 168.8 | -63.8 | 171.3 | 0 | 0 | 0 | 109 | F185 V204 V213 D217 L225 V254 V256 | F185-I219 HydrophobicContact CE2-CD1 3.73Å; F185-I219 HydrophobicContact CZ-CD1 3.67Å; F185-I219 HydrophobicContact CZ-CG1 4.16Å; V204-I219 HydrophobicContact CB-CG2 4.41Å; V204-I219 HydrophobicContact CG1-CG2 4.06Å; V204-I219 HydrophobicContact CG2-CG2 3.76Å; V213-I219 HydrophobicContact CB-CB 4.09Å; V213-I219 HydrophobicContact CB-CD1 3.95Å; V213-I219 HydrophobicContact CB-CG1 4.41Å; V213-I219 HydrophobicContact CG1-CD1 3.81Å; V213-I219 PolarHBondContact O-N 3.44Å; D217-I219 VanDerWaalsContact C-N 3.25Å; D217-I219 PolarHBondContact O-N 3.31Å; I219-L225 HydrophobicContact CD1-CD2 3.94Å; I219-L225 HydrophobicContact CG2-CD2 4.47Å; I219-V254 HydrophobicContact CD1-CG1 4.42Å; I219-V256 HydrophobicContact CD1-CG2 3.88Å; I219-V256 HydrophobicContact CG1-CG1 4.31Å; I219-V256 HydrophobicContact CG1-CG2 3.7Å |
| 220 | T | 91.9 | Very high | 84.2 | Confident | 44 Ų | 44 | 32.9 Ų | 32.9 | 27% | 0.27 | 20% | 0.196 | S | C | . | . | trans | -118.6 | 155 | 178.9 | 46 | 0 | 0 | 0 | 0 | 110.7 | D217 G222 D223 K258 | D217-T220 HydrophobicContact CB-CG2 3.78Å; T220-G222 PolarHBondContact O-N 2.88Å; T220-D223 PolarHBondContact N-OD2 3.47Å; T220-D223 VanDerWaalsContact O-CB 3.3Å; T220-D223 WeakPolarHBondContact O-CB 3.33Å; T220-D223 VanDerWaalsContact O-CG 3.3Å; T220-D223 PolarHBondContact O-N 3.36Å; T220-D223 VanDerWaalsContact O-N 3.08Å; T220-D223 PolarHBondContact OG1-OD1 3.28Å; T220-D223 PolarHBondContact OG1-OD2 2.89Å; T220-K258 PolarHBondContact OG1-NZ 2.8Å | ||
| 221 | V | 93.6 | Very high | 84.9 | Confident | 51 Ų | 51 | 29.7 Ų | 29.7 | 31% | 0.309 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 133.1 | 172.6 | -179 | 0 | 0 | 0 | 0 | 109.5 | T205 V207 L282 L286 | T205-V221 WeakPolarHBondContact O-CG1 3.44Å; V207-V221 HydrophobicContact CB-CG2 4.24Å; V207-V221 HydrophobicContact CG2-CG2 3.95Å; V221-L282 HydrophobicContact CG1-CD1 3.56Å; V221-L286 WeakPolarHBondContact O-CD2 3.32Å |
| 222 | G | 95.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.6 | -17.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L203 V204 T220 A259 | L203-G222 VanDerWaalsContact CD1-O 3.27Å; L203-G222 WeakPolarHBondContact CD1-O 3.41Å; V204-G222 PolarHBondContact O-N 3.39Å; T220-G222 PolarHBondContact O-N 2.88Å; G222-A259 WeakPolarHBondContact O-CB 3.17Å |
| 223 | D | 96.2 | Very high | 86.5 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | trans | -66.2 | 159.5 | 176.1 | -71.1 | -18.6 | 0 | 0 | 0 | 111.9 | V204 T220 V256 K258 A259 | V204-D223 HydrophobicContact CG2-CB 4.36Å; V204-D223 WeakPolarHBondContact CG2-O 3.36Å; V204-D223 PolarHBondContact N-O 3.36Å; T220-D223 PolarHBondContact N-OD2 3.47Å; T220-D223 VanDerWaalsContact O-CB 3.3Å; T220-D223 WeakPolarHBondContact O-CB 3.33Å; T220-D223 VanDerWaalsContact O-CG 3.3Å; T220-D223 PolarHBondContact O-N 3.36Å; T220-D223 VanDerWaalsContact O-N 3.08Å; T220-D223 PolarHBondContact OG1-OD1 3.28Å; T220-D223 PolarHBondContact OG1-OD2 2.89Å; D223-V256 HydrophobicContact CB-CG1 3.69Å; D223-K258 WeakPolarHBondContact OD1-CA 3.27Å; D223-K258 IonicContact OD1-NZ 3.23Å; D223-K258 WeakPolarHBondContact OD2-CE 3.4Å; D223-K258 IonicContact OD2-NZ 3.54Å; D223-K258 PolarHBondContact OD2-NZ 3.08Å; D223-A259 PolarHBondContact OD1-N 3.41Å | ||
| 224 | I | 95.3 | Very high | 87 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 127.8 | 172.2 | -66.9 | 166.7 | 0 | 0 | 0 | 109.4 | F170 H201 Y202 S226 V256 T257 L270 | F170-I224 HydrophobicContact CE2-CD1 3.86Å; F170-I224 HydrophobicContact CZ-CD1 3.72Å; H201-I224 HydrophobicContact CB-CD1 4.09Å; H201-I224 HydrophobicContact CB-CG1 4.36Å; H201-I224 HydrophobicContact CB-CG2 4.16Å; Y202-I224 CarbonylContact O-C 3.57Å; Y202-I224 WeakPolarHBondContact O-CA 3.44Å; I224-S226 PolarHBondContact O-N 3.45Å; I224-V256 WeakPolarHBondContact O-CA 3.38Å; I224-T257 PolarHBondContact N-O 2.99Å; I224-T257 PolarHBondContact O-N 3.45Å; I224-L270 HydrophobicContact CD1-CD1 3.97Å; I224-L270 HydrophobicContact CG1-CD1 4.45Å |
| 225 | L | 93.7 | Very high | 87.5 | Confident | 7 Ų | 7 | 33.2 Ų | 33.2 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 106.4 | 165.4 | -57.6 | -167.4 | 0 | 0 | 0 | 108.9 | V195 Y202 V204 I219 L233 L240 V254 V256 | V195-L225 HydrophobicContact CG1-CD1 3.66Å; V195-L225 HydrophobicContact CG1-CG 4.05Å; Y202-L225 PolarHBondContact O-N 3.31Å; V204-L225 HydrophobicContact CG2-CD2 3.91Å; V204-L225 HydrophobicContact CG2-CG 3.96Å; I219-L225 HydrophobicContact CD1-CD2 3.94Å; I219-L225 HydrophobicContact CG2-CD2 4.47Å; L225-L233 HydrophobicContact CB-CD1 3.79Å; L225-L233 WeakPolarHBondContact O-CD1 3.24Å; L225-L240 HydrophobicContact CD1-CD1 4.3Å; L225-V254 HydrophobicContact CD2-CG1 3.98Å; L225-V256 HydrophobicContact CD2-CG2 4.08Å |
| 226 | S | 93.2 | Very high | 88.1 | Confident | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -38 | -174.7 | -68 | 0 | 0 | 0 | 0 | 112.7 | E169 I224 L233 G255 T257 | E169-S226 VanDerWaalsContact CD-OG 3.32Å; E169-S226 WeakPolarHBondContact CG-OG 3.23Å; E169-S226 WeakPolarHBondContact OE1-CA 3.33Å; E169-S226 VanDerWaalsContact OE1-CB 3.24Å; E169-S226 WeakPolarHBondContact OE1-CB 3.36Å; E169-S226 PolarHBondContact OE1-OG 3.24Å; I224-S226 PolarHBondContact O-N 3.45Å; S226-L233 PolarHBondContact O-N 2.87Å; S226-G255 PolarHBondContact N-O 2.69Å; S226-T257 WeakPolarHBondContact OG-CB 3.38Å; S226-T257 PolarHBondContact OG-OG1 3.03Å |
| 227 | T | 92.3 | Very high | 88.3 | Confident | 18 Ų | 18 | 29.8 Ų | 29.8 | 11% | 0.11 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 151.6 | 175.9 | 71.5 | 0 | 0 | 0 | 0 | 112.1 | F180 C231 I232 V254 G255 | F180-T227 HydrophobicContact CZ-CG2 4.35Å; T227-C231 CarbonylContact C-O 3.51Å; T227-C231 WeakPolarHBondContact CA-O 3.49Å; T227-C231 WeakPolarHBondContact CB-O 3.2Å; T227-I232 HydrophobicContact CG2-CG1 4.17Å; T227-V254 CarbonylContact O-C 3.5Å; T227-V254 WeakPolarHBondContact O-CA 3.39Å; T227-V254 WeakPolarHBondContact O-CG1 3.3Å; T227-G255 PolarHBondContact N-O 3.26Å; T227-G255 PolarHBondContact O-N 2.84Å; T227-G255 VanDerWaalsContact OG1-CA 3.24Å; T227-G255 WeakPolarHBondContact OG1-CA 3.32Å; T227-G255 PolarHBondContact OG1-N 3.17Å; T227-G255 VanDerWaalsContact OG1-N 3.07Å |
| 228 | M | 91 | Very high | 88.4 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 129.6 | 172.1 | -165.8 | -177 | -161.9 | 0 | 0 | 109.4 | L191 G230 C231 L233 L240 L243 R244 I252 P253 V254 | L191-M228 HydrophobicContact CD1-CE 3.62Å; M228-G230 PolarHBondContact O-N 2.96Å; M228-C231 PolarHBondContact N-O 3.34Å; M228-C231 VanDerWaalsContact O-CB 3.32Å; M228-C231 WeakPolarHBondContact O-CB 3.25Å; M228-C231 PolarHBondContact O-N 3.26Å; M228-L233 HydrophobicContact CB-CD1 4.11Å; M228-L233 HydrophobicContact CB-CD2 4.2Å; M228-L233 HydrophobicContact CB-CG 4.41Å; M228-L240 HydrophobicContact SD-CD2 3.95Å; M228-L243 HydrophobicContact CB-CD1 4.24Å; M228-R244 HydrophobicContact CE-CG 3.79Å; M228-R244 HydrophobicContact SD-CG 4.49Å; M228-I252 HydrophobicContact CE-CG2 3.37Å; M228-I252 HydrophobicContact CG-CG2 4.47Å; M228-P253 WeakPolarHBondContact CA-O 3.43Å; M228-V254 HydrophobicContact CG-CG2 4.32Å |
| 229 | Y | 89.5 | Confident | 88.1 | Confident | 27 Ų | 27 | 31.9 Ų | 31.9 | 11% | 0.106 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 36 | -173.3 | -56.9 | -78.3 | 0 | 0 | 0 | 113.3 | C231 L243 R244 Y247 P251 I252 P253 | Y229-C231 PolarHBondContact O-N 3.24Å; Y229-C231 VanDerWaalsContact O-N 3.15Å; Y229-L243 HydrophobicContact CD2-CB 4.03Å; Y229-L243 HydrophobicContact CE2-CB 4.38Å; Y229-R244 HydrophobicContact CE2-CG 4.22Å; Y229-Y247 HydrophobicContact CD1-CD1 4.34Å; Y229-Y247 AromaticContact CD1-CD2 3.67Å; Y229-Y247 HydrophobicContact CD1-CD2 3.67Å; Y229-Y247 HydrophobicContact CD1-CE2 4.41Å; Y229-Y247 AromaticContact CD1-CG 3.65Å; Y229-Y247 HydrophobicContact CD1-CG 3.65Å; Y229-Y247 AromaticContact CD2-CD2 3.66Å; Y229-Y247 HydrophobicContact CD2-CD2 3.66Å; Y229-Y247 HydrophobicContact CD2-CE2 4.32Å; Y229-Y247 HydrophobicContact CD2-CG 4.38Å; Y229-Y247 HydrophobicContact CE1-CD2 4.15Å; Y229-Y247 AromaticContact CE1-CG 3.9Å; Y229-Y247 HydrophobicContact CE1-CG 3.9Å; Y229-Y247 HydrophobicContact CE2-CD2 4.13Å; Y229-Y247 AromaticContact CG-CD2 3.39Å; Y229-Y247 HydrophobicContact CG-CD2 3.39Å; Y229-Y247 AromaticContact CG-CE2 3.9Å; Y229-Y247 HydrophobicContact CG-CE2 3.9Å; Y229-Y247 AromaticContact CG-CG 3.9Å; Y229-Y247 HydrophobicContact CG-CG 3.9Å; Y229-P251 WeakPolarHBondContact CE1-O 3.5Å; Y229-I252 HydrophobicContact CE1-CG2 4.39Å; Y229-I252 HydrophobicContact CE2-CG2 4.13Å; Y229-I252 WeakPolarHBondContact OH-CG1 3.49Å; Y229-P253 HydrophobicContact CD1-CG 4.23Å; Y229-P253 PolarHBondContact N-O 2.66Å |
| 230 | G | 85.9 | Confident | 87.7 | Confident | 65 Ų | 65 | 33 Ų | 33 | 67% | 0.67 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | -2.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | M228 | M228-G230 PolarHBondContact O-N 2.96Š|
| 231 | C | 87.7 | Confident | 87 | Confident | 38 Ų | 38 | 36.6 Ų | 36.6 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 127.8 | 174.9 | -64.4 | 0 | 0 | 0 | 0 | 110.1 | T227 M228 Y229 L238 L243 | T227-C231 CarbonylContact C-O 3.51Å; T227-C231 WeakPolarHBondContact CA-O 3.49Å; T227-C231 WeakPolarHBondContact CB-O 3.2Å; M228-C231 PolarHBondContact N-O 3.34Å; M228-C231 VanDerWaalsContact O-CB 3.32Å; M228-C231 WeakPolarHBondContact O-CB 3.25Å; M228-C231 PolarHBondContact O-N 3.26Å; Y229-C231 PolarHBondContact O-N 3.24Å; Y229-C231 VanDerWaalsContact O-N 3.15Å; C231-L238 HydrophobicContact CB-CD1 3.82Å; C231-L243 HydrophobicContact CB-CD1 4.37Å; C231-L243 HydrophobicContact CB-CD2 4.36Å |
| 232 | I | 88.7 | Confident | 86.4 | Confident | 43 Ų | 43 | 38.4 Ų | 38.4 | 22% | 0.221 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 130.2 | 168.9 | -61.3 | 170.5 | 0 | 0 | 0 | 109.1 | T227 S236 | T227-I232 HydrophobicContact CG2-CG1 4.17Å; I232-S236 WeakPolarHBondContact O-CB 3.1Å |
| 233 | L | 90.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -91 | -38.6 | -174 | -64 | 179 | 0 | 0 | 0 | 112.9 | Y202 L225 S226 M228 N235 S236 L240 L243 | Y202-L233 HydrophobicContact CD2-CB 3.8Å; Y202-L233 HydrophobicContact CE2-CB 4.04Å; Y202-L233 WeakPolarHBondContact CE2-O 3.48Å; Y202-L233 HydrophobicContact CG-CB 4.44Å; L225-L233 HydrophobicContact CB-CD1 3.79Å; L225-L233 WeakPolarHBondContact O-CD1 3.24Å; S226-L233 PolarHBondContact O-N 2.87Å; M228-L233 HydrophobicContact CB-CD1 4.11Å; M228-L233 HydrophobicContact CB-CD2 4.2Å; M228-L233 HydrophobicContact CB-CG 4.41Å; L233-N235 PolarHBondContact O-N 3.12Å; L233-S236 WeakPolarHBondContact O-CB 3.43Å; L233-S236 PolarHBondContact O-N 3.12Å; L233-S236 PolarHBondContact O-OG 3.5Å; L233-L240 HydrophobicContact CD1-CD2 3.72Å; L233-L240 HydrophobicContact CD2-CD2 3.61Å; L233-L240 HydrophobicContact CG-CD2 4.31Å; L233-L243 HydrophobicContact CD2-CD1 3.81Å | ||
| 234 | H | 89.5 | Confident | 84.8 | Confident | 11 Ų | 11 | 40.9 Ų | 40.9 | 5% | 0.051 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | 122.6 | -178.7 | 177.4 | -153.3 | 0 | 0 | 0 | 111.6 | S94 E169 G200 H201 S236 | S94-H234 PolarHBondContact O-CE1 3.4Å; S94-H234 VanDerWaalsContact O-CE1 3.31Å; S94-H234 PolarHBondContact O-ND1 3.32Å; E169-H234 IonicContact OE2-CG 3.34Å; E169-H234 IonicContact OE2-ND1 3.21Å; G200-H234 WeakPolarHBondContact O-CA 3.24Å; G200-H234 PolarHBondContact O-CD2 3.49Å; H201-H234 AromaticContact CE1-CD2 3.92Å; H201-H234 AromaticContact CE1-CE1 3.51Å; H201-H234 AromaticContact CE1-ND1 3.77Å; H201-H234 AromaticContact CE1-NE2 3.64Å; H201-H234 AromaticContact ND1-CD2 3.84Å; H201-H234 AromaticContact ND1-CG 3.9Å; H201-H234 AromaticContact NE2-CE1 3.96Å; H201-H234 AromaticContact NE2-NE2 3.8Å; H234-S236 PolarHBondContact O-N 2.92Å |
| 235 | N | 84.8 | Confident | 84.1 | Confident | 74 Ų | 74 | 44.9 Ų | 44.9 | 40% | 0.396 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 19.2 | -178.3 | -72.7 | -36.5 | 0 | 0 | 0 | 115.1 | G200 L233 | G200-N235 PolarHBondContact O-N 3.18Å; L233-N235 PolarHBondContact O-N 3.12Å |
| 236 | S | 79.6 | Confident | 83.7 | Confident | 19 Ų | 19 | 50.6 Ų | 50.6 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | trans | -76.8 | -28.4 | -178.9 | 68.6 | 0 | 0 | 0 | 0 | 112.8 | I232 L233 H234 L238 | I232-S236 WeakPolarHBondContact O-CB 3.1Å; L233-S236 WeakPolarHBondContact O-CB 3.43Å; L233-S236 PolarHBondContact O-N 3.12Å; L233-S236 PolarHBondContact O-OG 3.5Å; H234-S236 PolarHBondContact O-N 2.92Å; S236-L238 PolarHBondContact O-N 2.93Å; S236-L238 WeakPolarHBondContact OG-CB 3.35Å; S236-L238 WeakPolarHBondContact OG-CG 3.41Å; S236-L238 PolarHBondContact OG-N 2.93Å | ||
| 237 | G | 72.8 | Confident | 83.2 | Confident | 58 Ų | 58 | 54.2 Ų | 54.2 | 60% | 0.598 | 31% | 0.311 | S | S | * | . | trans | 68.7 | 9.7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F239 | G237-F239 PolarHBondContact O-N 3.07Š| ||
| 238 | L | 74.5 | Confident | 82.8 | Confident | 59 Ų | 59 | 59.9 Ų | 59.9 | 31% | 0.309 | 34% | 0.341 | S | S | . | . | trans | -74.7 | 123.7 | 179.2 | -67.7 | 168 | 0 | 0 | 0 | 110.2 | Y202 C231 S236 L240 L243 | Y202-L238 PolarHBondContact OH-O 3.14Å; C231-L238 HydrophobicContact CB-CD1 3.82Å; S236-L238 PolarHBondContact O-N 2.93Å; S236-L238 WeakPolarHBondContact OG-CB 3.35Å; S236-L238 WeakPolarHBondContact OG-CG 3.41Å; S236-L238 PolarHBondContact OG-N 2.93Å; L238-L240 PolarHBondContact O-N 3.42Å; L238-L243 HydrophobicContact CB-CD1 4.31Å; L238-L243 HydrophobicContact CD1-CD1 4.28Å; L238-L243 HydrophobicContact CD1-CD2 4.39Å | ||
| 239 | F | 75.4 | Confident | 82.5 | Confident | 144 Ų | 144 | 62.4 Ų | 62.4 | 63% | 0.632 | 37% | 0.367 | S | S | * | . | trans | -76.4 | 125.8 | 168 | -61.1 | -77.9 | 0 | 0 | 0 | 109 | G237 N241 N242 L243 | G237-F239 PolarHBondContact O-N 3.07Å; F239-N241 PolarHBondContact O-N 3.33Å; F239-N241 VanDerWaalsContact O-N 3.14Å; F239-N242 HydrophobicContact CB-CB 4.42Å; F239-N242 WeakPolarHBondContact O-CB 3.43Å; F239-N242 PolarHBondContact O-N 3.18Å; F239-L243 PolarHBondContact O-N 2.72Å | ||
| 240 | L | 80 | Confident | 82.3 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 14% | 0.136 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -55.9 | -33.9 | 179.5 | -60.3 | -175.5 | 0 | 0 | 0 | 112 | V195 Y202 L225 M228 L233 L238 N242 L243 R244 | V195-L240 HydrophobicContact CG2-CD1 3.56Å; Y202-L240 HydrophobicContact CD1-CD1 4.08Å; Y202-L240 HydrophobicContact CD1-CD2 4.36Å; Y202-L240 HydrophobicContact CD1-CG 4.18Å; Y202-L240 HydrophobicContact CE1-CD1 4.39Å; Y202-L240 HydrophobicContact CE1-CD2 4.24Å; Y202-L240 HydrophobicContact CE1-CG 4.01Å; L225-L240 HydrophobicContact CD1-CD1 4.3Å; M228-L240 HydrophobicContact SD-CD2 3.95Å; L233-L240 HydrophobicContact CD1-CD2 3.72Å; L233-L240 HydrophobicContact CD2-CD2 3.61Å; L233-L240 HydrophobicContact CG-CD2 4.31Å; L238-L240 PolarHBondContact O-N 3.42Å; L240-N242 VanDerWaalsContact C-N 3.28Å; L240-N242 PolarHBondContact O-N 3.05Å; L240-L243 PolarHBondContact O-N 2.85Å; L240-R244 VanDerWaalsContact O-CG 3.29Å; L240-R244 WeakPolarHBondContact O-CG 3.46Å; L240-R244 PolarHBondContact O-N 2.85Å |
| 241 | N | 76.6 | Confident | 82.4 | Confident | 120 Ų | 120 | 66.3 Ų | 66.3 | 64% | 0.642 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.3 | -35.5 | 175.7 | -66.6 | -12.9 | 0 | 0 | 0 | 112.7 | F239 R244 S245 | F239-N241 PolarHBondContact O-N 3.33Å; F239-N241 VanDerWaalsContact O-N 3.14Å; N241-R244 PolarHBondContact O-N 3.48Å; N241-S245 PolarHBondContact O-N 3.01Å; N241-S245 PolarHBondContact O-OG 2.88Å |
| 242 | N | 81.4 | Confident | 82.4 | Confident | 90 Ų | 90 | 64.6 Ų | 64.6 | 48% | 0.481 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -72.7 | -38.8 | 178.2 | -66.3 | -1 | 0 | 0 | 0 | 111.5 | F239 L240 R244 S245 L246 | F239-N242 HydrophobicContact CB-CB 4.42Å; F239-N242 WeakPolarHBondContact O-CB 3.43Å; F239-N242 PolarHBondContact O-N 3.18Å; L240-N242 VanDerWaalsContact C-N 3.28Å; L240-N242 PolarHBondContact O-N 3.05Å; N242-R244 VanDerWaalsContact C-N 3.32Å; N242-S245 PolarHBondContact O-OG 3.34Å; N242-L246 WeakPolarHBondContact O-CD1 3.38Å; N242-L246 VanDerWaalsContact O-CG 3.25Å; N242-L246 WeakPolarHBondContact O-CG 3.27Å; N242-L246 PolarHBondContact O-N 2.82Å |
| 243 | L | 80.8 | Confident | 82.5 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 174.5 | -71.6 | 174.5 | 0 | 0 | 0 | 110.4 | M228 Y229 C231 L233 L238 F239 L240 S245 L246 Y247 | M228-L243 HydrophobicContact CB-CD1 4.24Å; Y229-L243 HydrophobicContact CD2-CB 4.03Å; Y229-L243 HydrophobicContact CE2-CB 4.38Å; C231-L243 HydrophobicContact CB-CD1 4.37Å; C231-L243 HydrophobicContact CB-CD2 4.36Å; L233-L243 HydrophobicContact CD2-CD1 3.81Å; L238-L243 HydrophobicContact CB-CD1 4.31Å; L238-L243 HydrophobicContact CD1-CD1 4.28Å; L238-L243 HydrophobicContact CD1-CD2 4.39Å; F239-L243 PolarHBondContact O-N 2.72Å; L240-L243 PolarHBondContact O-N 2.85Å; L243-S245 PolarHBondContact O-N 3.35Å; L243-L246 WeakPolarHBondContact O-CB 3.3Å; L243-L246 PolarHBondContact O-N 2.78Å; L243-Y247 HydrophobicContact CD2-CE2 4.43Å; L243-Y247 WeakPolarHBondContact O-CD2 3.38Å; L243-Y247 PolarHBondContact O-N 2.84Å |
| 244 | R | 76.3 | Confident | 82.5 | Confident | 47 Ų | 47 | 65.1 Ų | 65.1 | 18% | 0.177 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.3 | -38.3 | -179.3 | -66.9 | 175.9 | 75.2 | 179.8 | 10.1 | 113.2 | C188 K189 M190 M228 Y229 L240 N241 N242 L246 Y247 D248 | C188-R244 PolarHBondContact O-NH2 2.97Å; K189-R244 VanDerWaalsContact O-CZ 3.26Å; K189-R244 PolarHBondContact O-NH1 3.11Å; K189-R244 PolarHBondContact O-NH2 2.86Å; M190-R244 VanDerWaalsContact N-NH2 3.17Å; M228-R244 HydrophobicContact CE-CG 3.79Å; M228-R244 HydrophobicContact SD-CG 4.49Å; Y229-R244 HydrophobicContact CE2-CG 4.22Å; L240-R244 VanDerWaalsContact O-CG 3.29Å; L240-R244 WeakPolarHBondContact O-CG 3.46Å; L240-R244 PolarHBondContact O-N 2.85Å; N241-R244 PolarHBondContact O-N 3.48Å; N242-R244 VanDerWaalsContact C-N 3.32Å; R244-L246 VanDerWaalsContact C-N 3.3Å; R244-L246 PolarHBondContact O-N 3.02Å; R244-Y247 CarbonylContact O-C 3.48Å; R244-Y247 PolarHBondContact O-N 3.07Å; R244-D248 PolarHBondContact O-N 3.36Å |
| 245 | S | 82.6 | Confident | 82.7 | Confident | 86 Ų | 86 | 64.6 Ų | 64.6 | 60% | 0.601 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -67.9 | -31.2 | 175.9 | 62.3 | 0 | 0 | 0 | 0 | 112.7 | N241 N242 L243 Y247 | N241-S245 PolarHBondContact O-N 3.01Å; N241-S245 PolarHBondContact O-OG 2.88Å; N242-S245 PolarHBondContact O-OG 3.34Å; L243-S245 PolarHBondContact O-N 3.35Å; S245-Y247 VanDerWaalsContact C-N 3.35Å |
| 246 | L | 84.1 | Confident | 83.2 | Confident | 127 Ų | 127 | 61.1 Ų | 61.1 | 67% | 0.665 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -70.3 | -29.9 | 175.5 | -74.7 | 164.9 | 0 | 0 | 0 | 113.2 | N242 L243 R244 | N242-L246 WeakPolarHBondContact O-CD1 3.38Å; N242-L246 VanDerWaalsContact O-CG 3.25Å; N242-L246 WeakPolarHBondContact O-CG 3.27Å; N242-L246 PolarHBondContact O-N 2.82Å; L243-L246 WeakPolarHBondContact O-CB 3.3Å; L243-L246 PolarHBondContact O-N 2.78Å; R244-L246 VanDerWaalsContact C-N 3.3Å; R244-L246 PolarHBondContact O-N 3.02Å |
| 247 | Y | 83.4 | Confident | 83.9 | Confident | 79 Ų | 79 | 60.3 Ų | 60.3 | 31% | 0.31 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | 31 | -176.3 | -59.4 | -73.1 | 0 | 0 | 0 | 112.3 | Y229 L243 R244 S245 G249 Q250 | Y229-Y247 HydrophobicContact CD1-CD1 4.34Å; Y229-Y247 AromaticContact CD1-CD2 3.67Å; Y229-Y247 HydrophobicContact CD1-CD2 3.67Å; Y229-Y247 HydrophobicContact CD1-CE2 4.41Å; Y229-Y247 AromaticContact CD1-CG 3.65Å; Y229-Y247 HydrophobicContact CD1-CG 3.65Å; Y229-Y247 AromaticContact CD2-CD2 3.66Å; Y229-Y247 HydrophobicContact CD2-CD2 3.66Å; Y229-Y247 HydrophobicContact CD2-CE2 4.32Å; Y229-Y247 HydrophobicContact CD2-CG 4.38Å; Y229-Y247 HydrophobicContact CE1-CD2 4.15Å; Y229-Y247 AromaticContact CE1-CG 3.9Å; Y229-Y247 HydrophobicContact CE1-CG 3.9Å; Y229-Y247 HydrophobicContact CE2-CD2 4.13Å; Y229-Y247 AromaticContact CG-CD2 3.39Å; Y229-Y247 HydrophobicContact CG-CD2 3.39Å; Y229-Y247 AromaticContact CG-CE2 3.9Å; Y229-Y247 HydrophobicContact CG-CE2 3.9Å; Y229-Y247 AromaticContact CG-CG 3.9Å; Y229-Y247 HydrophobicContact CG-CG 3.9Å; L243-Y247 HydrophobicContact CD2-CE2 4.43Å; L243-Y247 WeakPolarHBondContact O-CD2 3.38Å; L243-Y247 PolarHBondContact O-N 2.84Å; R244-Y247 CarbonylContact O-C 3.48Å; R244-Y247 PolarHBondContact O-N 3.07Å; S245-Y247 VanDerWaalsContact C-N 3.35Å; Y247-G249 PolarHBondContact O-N 2.84Å; Y247-Q250 WeakPolarHBondContact O-CB 3.32Å; Y247-Q250 PolarHBondContact O-N 2.88Å; Y247-Q250 VanDerWaalsContact O-N 3.09Å |
| 248 | D | 84.3 | Confident | 84.9 | Confident | 136 Ų | 136 | 58.6 Ų | 58.6 | 73% | 0.727 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 139.5 | -179.5 | -169.9 | 34.8 | 0 | 0 | 0 | 111.1 | R244 Q250 | R244-D248 PolarHBondContact O-N 3.36Å; D248-Q250 PolarHBondContact O-N 3.41Å |
| 249 | G | 83.9 | Confident | 85.9 | Confident | 55 Ų | 55 | 55.8 Ų | 55.8 | 57% | 0.567 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | -5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | P187 Y247 | P187-G249 VanDerWaalsContact CG-O 3.31Å; P187-G249 WeakPolarHBondContact CG-O 3.47Å; Y247-G249 PolarHBondContact O-N 2.84Å |
| 250 | Q | 86.2 | Confident | 86.7 | Confident | 101 Ų | 101 | 50.6 Ų | 50.6 | 47% | 0.472 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -93.3 | 151.9 | 176.9 | -58.8 | -173.3 | 14.7 | 0 | 0 | 112.2 | Y247 D248 | Y247-Q250 WeakPolarHBondContact O-CB 3.32Å; Y247-Q250 PolarHBondContact O-N 2.88Å; Y247-Q250 VanDerWaalsContact O-N 3.09Å; D248-Q250 PolarHBondContact O-N 3.41Å |
| 251 | P | 86.4 | Confident | 87.1 | Confident | 74 Ų | 74 | 51.5 Ų | 51.5 | 48% | 0.481 | 29% | 0.287 | S | S | . | . | trans | -53.1 | 147.4 | 168.9 | -23.7 | 33.6 | 0 | 0 | 0 | 110.7 | T184 F185 Y229 P253 | T184-P251 HydrophobicContact CG2-CB 3.64Å; F185-P251 CarbonylContact O-C 3.54Å; F185-P251 WeakPolarHBondContact O-CA 3.36Å; Y229-P251 WeakPolarHBondContact CE1-O 3.5Å; P251-P253 WeakPolarHBondContact O-CD 3.3Å | ||
| 252 | I | 88.3 | Confident | 87.4 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 90 | -170.7 | -46.9 | -179.1 | 0 | 0 | 0 | 108.3 | F185 L191 M228 Y229 V254 | F185-I252 HydrophobicContact CB-CB 4.27Å; F185-I252 PolarHBondContact N-O 2.95Å; F185-I252 PolarHBondContact O-N 3.42Å; L191-I252 HydrophobicContact CD2-CD1 3.89Å; L191-I252 HydrophobicContact CD2-CG2 4.32Å; L191-I252 HydrophobicContact CG-CD1 4.45Å; M228-I252 HydrophobicContact CE-CG2 3.37Å; M228-I252 HydrophobicContact CG-CG2 4.47Å; Y229-I252 HydrophobicContact CE1-CG2 4.39Å; Y229-I252 HydrophobicContact CE2-CG2 4.13Å; Y229-I252 WeakPolarHBondContact OH-CG1 3.49Å; I252-V254 HydrophobicContact CG2-CG2 3.87Å; I252-V254 PolarHBondContact O-N 2.91Å |
| 253 | P | 90.8 | Very high | 87.3 | Confident | 49 Ų | 49 | 49.4 Ų | 49.4 | 32% | 0.318 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 128.5 | 173 | 31.7 | -35.5 | 0 | 0 | 0 | 109.4 | F183 M228 Y229 P251 | F183-P253 CarbonylContact O-C 3.58Å; F183-P253 VanDerWaalsContact O-CA 3.3Å; F183-P253 WeakPolarHBondContact O-CA 3.47Å; M228-P253 WeakPolarHBondContact CA-O 3.43Å; Y229-P253 HydrophobicContact CD1-CG 4.23Å; Y229-P253 PolarHBondContact N-O 2.66Å; P251-P253 WeakPolarHBondContact O-CD 3.3Å |
| 254 | V | 91.6 | Very high | 87.5 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.024 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 129.7 | -178.7 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | A182 F183 F185 I219 L225 T227 M228 I252 V256 | A182-V254 WeakPolarHBondContact CA-O 3.47Å; F183-V254 PolarHBondContact N-O 3.43Å; F183-V254 PolarHBondContact O-N 3.42Å; F185-V254 HydrophobicContact CD2-CB 4.36Å; F185-V254 HydrophobicContact CD2-CG2 3.82Å; F185-V254 HydrophobicContact CE2-CB 4Å; F185-V254 HydrophobicContact CE2-CG2 3.89Å; I219-V254 HydrophobicContact CD1-CG1 4.42Å; L225-V254 HydrophobicContact CD2-CG1 3.98Å; T227-V254 CarbonylContact O-C 3.5Å; T227-V254 WeakPolarHBondContact O-CA 3.39Å; T227-V254 WeakPolarHBondContact O-CG1 3.3Å; M228-V254 HydrophobicContact CG-CG2 4.32Å; I252-V254 HydrophobicContact CG2-CG2 3.87Å; I252-V254 PolarHBondContact O-N 2.91Å; V254-V256 HydrophobicContact CG1-CG2 3.82Å |
| 255 | G | 93 | Very high | 88.2 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 128.4 | 169 | 0 | 0 | 0 | 0 | 0 | 110.3 | F180 K181 S226 T227 | F180-G255 VanDerWaalsContact CZ-CA 3.43Å; K181-G255 WeakPolarHBondContact O-CA 3.4Å; S226-G255 PolarHBondContact N-O 2.69Å; T227-G255 PolarHBondContact N-O 3.26Å; T227-G255 PolarHBondContact O-N 2.84Å; T227-G255 VanDerWaalsContact OG1-CA 3.24Å; T227-G255 WeakPolarHBondContact OG1-CA 3.32Å; T227-G255 PolarHBondContact OG1-N 3.17Å; T227-G255 VanDerWaalsContact OG1-N 3.07Å |
| 256 | V | 94.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 124.9 | -169.8 | -174.6 | 0 | 0 | 0 | 0 | 108.8 | F180 K181 F183 I219 D223 I224 L225 V254 K258 | F180-V256 CarbonylContact C-O 3.6Å; F180-V256 WeakPolarHBondContact CA-O 3.43Å; K181-V256 PolarHBondContact N-O 3.29Å; K181-V256 PolarHBondContact O-N 3.2Å; F183-V256 HydrophobicContact CD2-CB 4.28Å; F183-V256 HydrophobicContact CD2-CG2 3.7Å; F183-V256 HydrophobicContact CE2-CB 4.03Å; F183-V256 HydrophobicContact CE2-CG2 3.91Å; I219-V256 HydrophobicContact CD1-CG2 3.88Å; I219-V256 HydrophobicContact CG1-CG1 4.31Å; I219-V256 HydrophobicContact CG1-CG2 3.7Å; D223-V256 HydrophobicContact CB-CG1 3.69Å; I224-V256 WeakPolarHBondContact O-CA 3.38Å; L225-V256 HydrophobicContact CD2-CG2 4.08Å; V254-V256 HydrophobicContact CG1-CG2 3.82Å; V256-K258 HydrophobicContact CG1-CD 4.13Å |
| 257 | T | 94.3 | Very high | 89.2 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.018 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 116.6 | 169.9 | -72.2 | 0 | 0 | 0 | 0 | 108.6 | E169 P178 I224 S226 | E169-T257 HydrophobicContact CB-CG2 4.49Å; E169-T257 HydrophobicContact CG-CG2 4.36Å; E169-T257 WeakPolarHBondContact CG-OG1 3.48Å; P178-T257 HydrophobicContact CB-CG2 3.54Å; P178-T257 HydrophobicContact CG-CG2 3.19Å; I224-T257 PolarHBondContact N-O 2.99Å; I224-T257 PolarHBondContact O-N 3.45Å; S226-T257 WeakPolarHBondContact OG-CB 3.38Å; S226-T257 PolarHBondContact OG-OG1 3.03Å |
| 258 | K | 94.6 | Very high | 89.7 | Confident | 22 Ų | 22 | 45.2 Ų | 45.2 | 10% | 0.096 | 26% | 0.256 | C | S | . | . | trans | -74.7 | 136 | -173.8 | -58.3 | -58.5 | -64.2 | -178.5 | 0 | 110.7 | T179 K181 D217 Q218 T220 D223 V256 L260 | T179-K258 HydrophobicContact CG2-CG 4.39Å; T179-K258 PolarHBondContact O-N 2.86Å; K181-K258 HydrophobicContact CD-CD 4.18Å; K181-K258 HydrophobicContact CD-CG 4.17Å; K181-K258 HydrophobicContact CG-CD 4.43Å; K181-K258 HydrophobicContact CG-CG 4.16Å; D217-K258 PolarHBondContact O-NZ 2.75Å; Q218-K258 PolarHBondContact O-NZ 3.3Å; T220-K258 PolarHBondContact OG1-NZ 2.8Å; D223-K258 WeakPolarHBondContact OD1-CA 3.27Å; D223-K258 IonicContact OD1-NZ 3.23Å; D223-K258 WeakPolarHBondContact OD2-CE 3.4Å; D223-K258 IonicContact OD2-NZ 3.54Å; D223-K258 PolarHBondContact OD2-NZ 3.08Å; V256-K258 HydrophobicContact CG1-CD 4.13Å; K258-L260 VanDerWaalsContact C-N 3.33Å | ||
| 259 | A | 95.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -66.9 | -38.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G222 D223 I266 Y267 L270 L286 | G222-A259 WeakPolarHBondContact O-CB 3.17Å; D223-A259 PolarHBondContact OD1-N 3.41Å; A259-I266 WeakPolarHBondContact O-CA 3.28Å; A259-Y267 PolarHBondContact O-N 3.44Å; A259-L270 HydrophobicContact CB-CD2 3.65Å; A259-L286 HydrophobicContact CB-CD1 4.15Å; A259-L286 HydrophobicContact CB-CD2 3.82Å |
| 260 | L | 92.8 | Very high | 90.7 | Very high | 35 Ų | 35 | 41.5 Ų | 41.5 | 18% | 0.183 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -97 | 133.3 | 179.7 | -59 | -177.7 | 0 | 0 | 0 | 110.1 | K258 R265 I266 L286 | K258-L260 VanDerWaalsContact C-N 3.33Å; L260-R265 CarbonylContact C-O 3.54Å; L260-R265 WeakPolarHBondContact CA-O 3.15Å; L260-I266 HydrophobicContact CD2-CG1 3.88Å; L260-L286 HydrophobicContact CD2-CB 4.14Å; L260-L286 HydrophobicContact CD2-CD2 4.16Å; L260-L286 HydrophobicContact CG-CD2 4.26Å |
| 261 | M | 88.2 | Confident | 91.1 | Very high | 45 Ų | 45 | 40.9 Ų | 40.9 | 22% | 0.222 | 21% | 0.208 | C | C | . | . | trans | -70.9 | 164.6 | 167.7 | -66 | -174.2 | 64.9 | 0 | 0 | 110.4 | D263 G264 R265 Y267 | M261-D263 WeakPolarHBondContact CB-OD1 3.19Å; M261-D263 PolarHBondContact O-N 2.88Å; M261-G264 WeakPolarHBondContact O-CA 3.37Å; M261-G264 PolarHBondContact O-N 3.34Å; M261-R265 WeakPolarHBondContact CB-O 3.19Å; M261-R265 PolarHBondContact N-O 2.61Å; M261-Y267 HydrophobicContact SD-CD2 4.37Å | ||
| 262 | P | 82.3 | Confident | 91.5 | Very high | 103 Ų | 103 | 40.1 Ų | 40.1 | 67% | 0.669 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -23.6 | -179.8 | -27.8 | 36.5 | 0 | 0 | 0 | 114.9 | G264 | P262-G264 VanDerWaalsContact C-N 3.25Å; P262-G264 PolarHBondContact O-N 2.92Å |
| 263 | D | 80 | Confident | 91.8 | Very high | 63 Ų | 63 | 40.8 Ų | 40.8 | 34% | 0.337 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 6.3 | 175.6 | 64.8 | 10.6 | 0 | 0 | 0 | 113.9 | M261 R265 | M261-D263 WeakPolarHBondContact CB-OD1 3.19Å; M261-D263 PolarHBondContact O-N 2.88Å; D263-R265 VanDerWaalsContact C-N 3.28Å; D263-R265 PolarHBondContact O-N 3.04Å; D263-R265 VanDerWaalsContact OD1-CB 3.3Å; D263-R265 WeakPolarHBondContact OD1-CB 3.48Å; D263-R265 PolarHBondContact OD1-N 3.16Å; D263-R265 IonicContact OD1-NE 3.74Å; D263-R265 IonicContact OD2-CZ 3.3Å; D263-R265 IonicContact OD2-NE 2.85Å; D263-R265 PolarHBondContact OD2-NE 2.8Å; D263-R265 IonicContact OD2-NH2 2.99Å; D263-R265 PolarHBondContact OD2-NH2 2.91Å |
| 264 | G | 85.1 | Confident | 92 | Very high | 11 Ų | 11 | 38.5 Ų | 38.5 | 11% | 0.113 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 80.3 | -2.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | M261 P262 G290 | M261-G264 WeakPolarHBondContact O-CA 3.37Å; M261-G264 PolarHBondContact O-N 3.34Å; P262-G264 VanDerWaalsContact C-N 3.25Å; P262-G264 PolarHBondContact O-N 2.92Å; G264-G290 VanDerWaalsContact O-CA 3.29Å; G264-G290 WeakPolarHBondContact O-CA 3.45Å |
| 265 | R | 90 | Very high | 92.2 | Very high | 165 Ų | 165 | 43 Ų | 43 | 62% | 0.623 | 21% | 0.214 | S | C | * | . | P | Polyproline II helix | trans | -80 | 147.4 | 177.3 | -62.6 | -175 | -68.8 | 178.3 | -3.5 | 110.9 | L260 M261 D263 Y267 | L260-R265 CarbonylContact C-O 3.54Å; L260-R265 WeakPolarHBondContact CA-O 3.15Å; M261-R265 WeakPolarHBondContact CB-O 3.19Å; M261-R265 PolarHBondContact N-O 2.61Å; D263-R265 VanDerWaalsContact C-N 3.28Å; D263-R265 PolarHBondContact O-N 3.04Å; D263-R265 VanDerWaalsContact OD1-CB 3.3Å; D263-R265 WeakPolarHBondContact OD1-CB 3.48Å; D263-R265 PolarHBondContact OD1-N 3.16Å; D263-R265 IonicContact OD1-NE 3.74Å; D263-R265 IonicContact OD2-CZ 3.3Å; D263-R265 IonicContact OD2-NE 2.85Å; D263-R265 PolarHBondContact OD2-NE 2.8Å; D263-R265 IonicContact OD2-NH2 2.99Å; D263-R265 PolarHBondContact OD2-NH2 2.91Å; R265-Y267 PolarHBondContact O-N 3.28Å |
| 266 | I | 93.9 | Very high | 92.4 | Very high | 12 Ų | 12 | 49.7 Ų | 49.7 | 6% | 0.062 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -63.4 | 133.4 | 170.9 | -53.9 | 173.8 | 0 | 0 | 0 | 108.7 | A259 L260 R271 I283 L286 E287 | A259-I266 WeakPolarHBondContact O-CA 3.28Å; L260-I266 HydrophobicContact CD2-CG1 3.88Å; I266-R271 HydrophobicContact CB-CB 4.43Å; I266-R271 HydrophobicContact CG2-CB 3.94Å; I266-I283 HydrophobicContact CD1-CB 4.45Å; I266-I283 HydrophobicContact CD1-CG2 3.89Å; I266-L286 HydrophobicContact CD1-CB 3.65Å; I266-L286 HydrophobicContact CD1-CD1 4.16Å; I266-L286 HydrophobicContact CG1-CB 3.81Å; I266-L286 HydrophobicContact CG1-CD1 4.34Å; I266-L286 HydrophobicContact CG2-CD1 4.44Å; I266-E287 HydrophobicContact CD1-CG 3.91Å |
| 267 | Y | 94.5 | Very high | 92.4 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.008 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 126.3 | 174.9 | 170.7 | -116.3 | 0 | 0 | 0 | 110.7 | F170 T174 C176 P178 A259 M261 R265 R269 L270 R271 | F170-Y267 HydrophobicContact CB-CE1 4.31Å; F170-Y267 WeakPolarHBondContact CB-OH 3.48Å; F170-Y267 HydrophobicContact CD1-CE1 4.28Å; F170-Y267 HydrophobicContact CD2-CD1 4.27Å; F170-Y267 AromaticContact CD2-CE1 3.36Å; F170-Y267 HydrophobicContact CD2-CE1 3.36Å; F170-Y267 HydrophobicContact CE1-CE1 4.48Å; F170-Y267 HydrophobicContact CE2-CD1 4.11Å; F170-Y267 AromaticContact CE2-CE1 3.62Å; F170-Y267 HydrophobicContact CE2-CE1 3.62Å; F170-Y267 AromaticContact CG-CE1 3.72Å; F170-Y267 HydrophobicContact CG-CE1 3.72Å; F170-Y267 HydrophobicContact CZ-CE1 4.17Å; T174-Y267 WeakPolarHBondContact CG2-OH 3.29Å; C176-Y267 WeakPolarHBondContact O-CE2 3.49Å; C176-Y267 PolarHBondContact O-OH 3.3Å; P178-Y267 HydrophobicContact CB-CD1 3.85Å; P178-Y267 HydrophobicContact CB-CD2 3.94Å; P178-Y267 HydrophobicContact CB-CE1 4.11Å; P178-Y267 HydrophobicContact CB-CE2 4.24Å; P178-Y267 HydrophobicContact CB-CG 3.77Å; P178-Y267 HydrophobicContact CG-CD1 4.25Å; P178-Y267 HydrophobicContact CG-CE1 4.07Å; A259-Y267 PolarHBondContact O-N 3.44Å; M261-Y267 HydrophobicContact SD-CD2 4.37Å; R265-Y267 PolarHBondContact O-N 3.28Å; Y267-R269 HydrophobicContact CD1-CB 4.32Å; Y267-R269 HydrophobicContact CE1-CB 3.53Å; Y267-R269 HydrophobicContact CE1-CG 4.05Å; Y267-R269 PolarHBondContact O-N 3.38Å; Y267-R269 WeakPolarHBondContact OH-CG 3.49Å; Y267-L270 HydrophobicContact CD1-CB 3.79Å; Y267-L270 PolarHBondContact O-N 3.09Å; Y267-L270 VanDerWaalsContact O-N 3.12Å; Y267-R271 PolarHBondContact O-N 3.36Å |
| 268 | P | 93.5 | Very high | 92.3 | Very high | 66 Ų | 66 | 55.7 Ų | 55.7 | 43% | 0.429 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.4 | -38.6 | -166.1 | -31.3 | 36.1 | 0 | 0 | 0 | 115.8 | R271 S272 | P268-R271 WeakPolarHBondContact O-CB 2.9Å; P268-R271 PolarHBondContact O-N 3.23Å; P268-S272 PolarHBondContact O-N 3.13Å; P268-S272 VanDerWaalsContact O-N 3.11Å; P268-S272 PolarHBondContact O-OG 2.92Å |
| 269 | R | 93.9 | Very high | 92.4 | Very high | 110 Ų | 110 | 57.2 Ų | 57.2 | 42% | 0.415 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -75.2 | -35.4 | -179.7 | -54.7 | -60.1 | 177.8 | -165.9 | -0.9 | 112.3 | F170 T174 Y267 R271 S272 L273 | F170-R269 HydrophobicContact CB-CB 4.49Å; F170-R269 HydrophobicContact CD1-CB 3.57Å; F170-R269 HydrophobicContact CD1-CG 4.4Å; F170-R269 HydrophobicContact CE1-CB 3.93Å; F170-R269 HydrophobicContact CG-CB 4.05Å; T174-R269 HydrophobicContact CG2-CG 3.79Å; Y267-R269 HydrophobicContact CD1-CB 4.32Å; Y267-R269 HydrophobicContact CE1-CB 3.53Å; Y267-R269 HydrophobicContact CE1-CG 4.05Å; Y267-R269 PolarHBondContact O-N 3.38Å; Y267-R269 WeakPolarHBondContact OH-CG 3.49Å; R269-R271 VanDerWaalsContact C-N 3.32Å; R269-S272 PolarHBondContact O-N 2.92Å; R269-L273 WeakPolarHBondContact O-CB 3.34Å; R269-L273 PolarHBondContact O-N 3.26Å |
| 270 | L | 95.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62 | -43.4 | 170.5 | 177.1 | 63.2 | 0 | 0 | 0 | 110.4 | F170 L203 I224 A259 Y267 S272 L273 L274 | F170-L270 HydrophobicContact CZ-CB 4.47Å; L203-L270 HydrophobicContact CD1-CD1 4.36Å; I224-L270 HydrophobicContact CD1-CD1 3.97Å; I224-L270 HydrophobicContact CG1-CD1 4.45Å; A259-L270 HydrophobicContact CB-CD2 3.65Å; Y267-L270 HydrophobicContact CD1-CB 3.79Å; Y267-L270 PolarHBondContact O-N 3.09Å; Y267-L270 VanDerWaalsContact O-N 3.12Å; L270-S272 PolarHBondContact O-N 3.2Å; L270-L273 HydrophobicContact CD1-CD2 4.47Å; L270-L273 WeakPolarHBondContact O-CB 3.2Å; L270-L273 PolarHBondContact O-N 3.3Å; L270-L274 HydrophobicContact CD1-CD1 4.13Å; L270-L274 HydrophobicContact CD1-CD2 4.18Å; L270-L274 HydrophobicContact CD1-CG 3.9Å; L270-L274 HydrophobicContact CG-CD1 3.96Å; L270-L274 HydrophobicContact CG-CG 4.15Å; L270-L274 WeakPolarHBondContact O-CB 3.42Å; L270-L274 VanDerWaalsContact O-CG 3.26Å; L270-L274 WeakPolarHBondContact O-CG 3.46Å; L270-L274 PolarHBondContact O-N 2.92Å |
| 271 | R | 95 | Very high | 92.2 | Very high | 88 Ų | 88 | 66.6 Ų | 66.6 | 33% | 0.332 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -55 | -52.9 | 175.3 | -174.3 | -175.4 | -174.8 | 115.6 | 8.4 | 111.5 | I266 Y267 P268 R269 L273 L274 E275 E287 | I266-R271 HydrophobicContact CB-CB 4.43Å; I266-R271 HydrophobicContact CG2-CB 3.94Å; Y267-R271 PolarHBondContact O-N 3.36Å; P268-R271 WeakPolarHBondContact O-CB 2.9Å; P268-R271 PolarHBondContact O-N 3.23Å; R269-R271 VanDerWaalsContact C-N 3.32Å; R271-L273 VanDerWaalsContact C-N 3.28Å; R271-L273 PolarHBondContact O-N 2.91Å; R271-L274 PolarHBondContact O-N 3.2Å; R271-E275 HydrophobicContact CG-CG 4.41Å; R271-E275 WeakPolarHBondContact CG-OE1 3.44Å; R271-E275 IonicContact CZ-OE1 3.49Å; R271-E275 IonicContact NE-OE1 3.34Å; R271-E275 PolarHBondContact NE-OE1 2.93Å; R271-E275 IonicContact NH2-OE1 2.87Å; R271-E275 WeakPolarHBondContact O-CG 3.49Å; R271-E275 PolarHBondContact O-N 2.94Å; R271-E287 IonicContact CZ-OE1 2.66Å; R271-E287 VanDerWaalsContact CZ-OE1 3.23Å; R271-E287 IonicContact NH1-OE1 3.52Å; R271-E287 PolarHBondContact NH1-OE1 2.94Å; R271-E287 IonicContact NH2-OE1 3.74Å; R271-E287 PolarHBondContact NH2-OE1 3.04Å |
| 272 | S | 94.5 | Very high | 92.5 | Very high | 58 Ų | 58 | 65.2 Ų | 65.2 | 41% | 0.406 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.1 | -39.6 | 178.5 | -60.6 | 0 | 0 | 0 | 0 | 112.4 | P268 R269 L270 E275 Q276 | P268-S272 PolarHBondContact O-N 3.13Å; P268-S272 VanDerWaalsContact O-N 3.11Å; P268-S272 PolarHBondContact O-OG 2.92Å; R269-S272 PolarHBondContact O-N 2.92Å; L270-S272 PolarHBondContact O-N 3.2Å; S272-E275 PolarHBondContact O-N 2.87Å; S272-Q276 WeakPolarHBondContact O-CB 3.36Å; S272-Q276 PolarHBondContact O-N 3.32Å |
| 273 | L | 94.2 | Very high | 93 | Very high | 16 Ų | 16 | 60.9 Ų | 60.9 | 8% | 0.084 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 177.2 | -178.7 | 69.5 | 0 | 0 | 0 | 112 | V198 D199 R269 L270 R271 Q276 H277 | V198-L273 HydrophobicContact CG1-CD1 4.1Å; V198-L273 HydrophobicContact CG1-CD2 4.21Å; V198-L273 HydrophobicContact CG1-CG 3.98Å; D199-L273 HydrophobicContact CB-CD1 3.8Å; D199-L273 WeakPolarHBondContact OD2-CD1 3.34Å; R269-L273 WeakPolarHBondContact O-CB 3.34Å; R269-L273 PolarHBondContact O-N 3.26Å; L270-L273 HydrophobicContact CD1-CD2 4.47Å; L270-L273 WeakPolarHBondContact O-CB 3.2Å; L270-L273 PolarHBondContact O-N 3.3Å; R271-L273 VanDerWaalsContact C-N 3.28Å; R271-L273 PolarHBondContact O-N 2.91Å; L273-Q276 PolarHBondContact O-N 2.82Å; L273-H277 PolarHBondContact O-N 3.07Å; L273-H277 PolarHBondContact O-ND1 3.34Å |
| 274 | L | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 178.6 | -67.7 | -179.5 | 0 | 0 | 0 | 111.7 | L203 L270 R271 H277 G278 Y279 L282 I283 L286 | L203-L274 HydrophobicContact CD1-CD2 4.13Å; L203-L274 HydrophobicContact CD2-CD2 3.57Å; L270-L274 HydrophobicContact CD1-CD1 4.13Å; L270-L274 HydrophobicContact CD1-CD2 4.18Å; L270-L274 HydrophobicContact CD1-CG 3.9Å; L270-L274 HydrophobicContact CG-CD1 3.96Å; L270-L274 HydrophobicContact CG-CG 4.15Å; L270-L274 WeakPolarHBondContact O-CB 3.42Å; L270-L274 VanDerWaalsContact O-CG 3.26Å; L270-L274 WeakPolarHBondContact O-CG 3.46Å; L270-L274 PolarHBondContact O-N 2.92Å; R271-L274 PolarHBondContact O-N 3.2Å; L274-H277 PolarHBondContact O-N 3.46Å; L274-G278 PolarHBondContact O-N 3.49Å; L274-G278 VanDerWaalsContact O-N 3.07Å; L274-Y279 HydrophobicContact CD2-CD2 4.03Å; L274-Y279 HydrophobicContact CD2-CG 3.99Å; L274-Y279 PolarHBondContact O-N 3.44Å; L274-L282 HydrophobicContact CD1-CD2 4.16Å; L274-L282 HydrophobicContact CD1-CG 4.33Å; L274-L282 HydrophobicContact CD2-CD2 3.98Å; L274-I283 HydrophobicContact CB-CD1 3.86Å; L274-I283 HydrophobicContact CB-CG1 3.89Å; L274-I283 HydrophobicContact CD1-CG1 4.11Å; L274-L286 HydrophobicContact CD1-CD1 4.1Å |
| 275 | E | 95.7 | Very high | 93.9 | Very high | 98 Ų | 98 | 62.6 Ų | 62.6 | 46% | 0.458 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 176 | -73.4 | 172 | 173.5 | 0 | 0 | 111 | R271 S272 H277 G278 I283 | R271-E275 HydrophobicContact CG-CG 4.41Å; R271-E275 WeakPolarHBondContact CG-OE1 3.44Å; R271-E275 IonicContact CZ-OE1 3.49Å; R271-E275 IonicContact NE-OE1 3.34Å; R271-E275 PolarHBondContact NE-OE1 2.93Å; R271-E275 IonicContact NH2-OE1 2.87Å; R271-E275 WeakPolarHBondContact O-CG 3.49Å; R271-E275 PolarHBondContact O-N 2.94Å; S272-E275 PolarHBondContact O-N 2.87Å; E275-H277 VanDerWaalsContact C-N 3.25Å; E275-H277 PolarHBondContact O-N 2.82Å; E275-G278 PolarHBondContact O-N 3.5Å; E275-I283 HydrophobicContact CB-CD1 4.38Å; E275-I283 HydrophobicContact CG-CD1 3.49Å; E275-I283 VanDerWaalsContact CG-CD1 3.49Å |
| 276 | Q | 95.6 | Very high | 94 | Very high | 143 Ų | 143 | 55 Ų | 55 | 67% | 0.668 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60.9 | -33.3 | 178.7 | -179.4 | 179.9 | -26.6 | 0 | 0 | 112.9 | S272 L273 | S272-Q276 WeakPolarHBondContact O-CB 3.36Å; S272-Q276 PolarHBondContact O-N 3.32Å; L273-Q276 PolarHBondContact O-N 2.82Å |
| 277 | H | 95 | Very high | 93.9 | Very high | 74 Ų | 74 | 58.2 Ų | 58.2 | 34% | 0.343 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 6 | -178 | -67.2 | 85.7 | 0 | 0 | 0 | 114 | V198 D199 L273 L274 E275 Y279 | V198-H277 HydrophobicContact CG1-CB 3.97Å; V198-H277 VanDerWaalsContact CG1-CG 3.47Å; V198-H277 WeakPolarHBondContact CG1-ND1 2.94Å; D199-H277 VanDerWaalsContact CG-CE1 3.44Å; D199-H277 IonicContact OD1-CE1 2.84Å; D199-H277 IonicContact OD1-NE2 3.7Å; D199-H277 PolarHBondContact OD1-NE2 3.07Å; D199-H277 IonicContact OD2-CE1 3.84Å; D199-H277 PolarHBondContact OD2-CE1 3.33Å; D199-H277 VanDerWaalsContact OD2-CE1 3.26Å; D199-H277 IonicContact OD2-NE2 3.44Å; L273-H277 PolarHBondContact O-N 3.07Å; L273-H277 PolarHBondContact O-ND1 3.34Å; L274-H277 PolarHBondContact O-N 3.46Å; E275-H277 VanDerWaalsContact C-N 3.25Å; E275-H277 PolarHBondContact O-N 2.82Å; H277-Y279 HydrophobicContact CB-CD2 3.79Å; H277-Y279 HydrophobicContact CB-CE2 3.87Å |
| 278 | G | 93.2 | Very high | 93.5 | Very high | 54 Ų | 54 | 65.8 Ų | 65.8 | 56% | 0.557 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 20.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L274 E275 V280 | L274-G278 PolarHBondContact O-N 3.49Å; L274-G278 VanDerWaalsContact O-N 3.07Å; E275-G278 PolarHBondContact O-N 3.5Å; G278-V280 PolarHBondContact O-N 3.24Å |
| 279 | Y | 94.7 | Very high | 92.9 | Very high | 55 Ų | 55 | 65.6 Ų | 65.6 | 22% | 0.216 | 34% | 0.339 | C | S | . | . | trans | -79.3 | 47.4 | 176.5 | -74.1 | -85.9 | 0 | 0 | 0 | 112.4 | E196 V198 L203 T205 L274 H277 N281 L282 I283 | E196-Y279 PolarHBondContact OE2-OH 2.62Å; V198-Y279 HydrophobicContact CG1-CE2 4.41Å; V198-Y279 HydrophobicContact CG2-CE2 3.73Å; L203-Y279 HydrophobicContact CD2-CD1 4.28Å; L203-Y279 HydrophobicContact CD2-CD2 4.47Å; L203-Y279 HydrophobicContact CD2-CE1 4.03Å; L203-Y279 HydrophobicContact CD2-CE2 4.22Å; L203-Y279 HydrophobicContact CD2-CG 4.5Å; T205-Y279 HydrophobicContact CG2-CE1 4.21Å; L274-Y279 HydrophobicContact CD2-CD2 4.03Å; L274-Y279 HydrophobicContact CD2-CG 3.99Å; L274-Y279 PolarHBondContact O-N 3.44Å; H277-Y279 HydrophobicContact CB-CD2 3.79Å; H277-Y279 HydrophobicContact CB-CE2 3.87Å; Y279-N281 PolarHBondContact O-N 2.93Å; Y279-L282 HydrophobicContact CD1-CD2 4.13Å; Y279-L282 HydrophobicContact CG-CD2 4.5Å; Y279-L282 PolarHBondContact O-N 2.95Å; Y279-I283 WeakPolarHBondContact O-CG1 3.47Å; Y279-I283 PolarHBondContact O-N 3.15Å; Y279-I283 VanDerWaalsContact O-N 3.09Å | ||
| 280 | V | 92.5 | Very high | 91.9 | Very high | 99 Ų | 99 | 60.5 Ų | 60.5 | 60% | 0.6 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -62.2 | -40.7 | -173.1 | -175.5 | 0 | 0 | 0 | 0 | 112.1 | G278 I283 A284 | G278-V280 PolarHBondContact O-N 3.24Å; V280-I283 PolarHBondContact O-N 2.77Å; V280-A284 PolarHBondContact O-N 3.43Å; V280-A284 VanDerWaalsContact O-N 3.12Å |
| 281 | N | 92.5 | Very high | 90.2 | Very high | 132 Ų | 132 | 66.9 Ų | 66.9 | 71% | 0.706 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.2 | -41.8 | 178.4 | -65.5 | -22.2 | 0 | 0 | 0 | 111.5 | Y279 I283 A284 D285 | Y279-N281 PolarHBondContact O-N 2.93Å; N281-I283 VanDerWaalsContact C-N 3.33Å; N281-I283 PolarHBondContact O-N 2.93Å; N281-A284 WeakPolarHBondContact O-CB 3.43Å; N281-A284 PolarHBondContact O-N 3.16Å; N281-D285 PolarHBondContact O-N 2.62Å |
| 282 | L | 93.8 | Very high | 88.3 | Confident | 16 Ų | 16 | 67.5 Ų | 67.5 | 8% | 0.084 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 177.5 | 175.4 | 56.7 | 0 | 0 | 0 | 111.7 | L203 V221 L274 Y279 A284 D285 L286 | L203-L282 HydrophobicContact CD1-CD2 4.44Å; L203-L282 HydrophobicContact CD2-CD2 4.03Å; V221-L282 HydrophobicContact CG1-CD1 3.56Å; L274-L282 HydrophobicContact CD1-CD2 4.16Å; L274-L282 HydrophobicContact CD1-CG 4.33Å; L274-L282 HydrophobicContact CD2-CD2 3.98Å; Y279-L282 HydrophobicContact CD1-CD2 4.13Å; Y279-L282 HydrophobicContact CG-CD2 4.5Å; Y279-L282 PolarHBondContact O-N 2.95Å; L282-A284 VanDerWaalsContact C-N 3.34Å; L282-D285 PolarHBondContact O-N 3.34Å; L282-L286 HydrophobicContact CD1-CD1 4.23Å; L282-L286 HydrophobicContact CD1-CG 4.14Å; L282-L286 HydrophobicContact CG-CD1 4.17Å; L282-L286 WeakPolarHBondContact O-CB 3.18Å; L282-L286 WeakPolarHBondContact O-CG 3.22Å; L282-L286 PolarHBondContact O-N 3.38Å |
| 283 | I | 94.5 | Very high | 86 | Confident | 12 Ų | 12 | 71.8 Ų | 71.8 | 6% | 0.062 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60 | -47.1 | 174 | -67.1 | 162.9 | 0 | 0 | 0 | 110.3 | I266 L274 E275 Y279 V280 N281 D285 L286 E287 | I266-I283 HydrophobicContact CD1-CB 4.45Å; I266-I283 HydrophobicContact CD1-CG2 3.89Å; L274-I283 HydrophobicContact CB-CD1 3.86Å; L274-I283 HydrophobicContact CB-CG1 3.89Å; L274-I283 HydrophobicContact CD1-CG1 4.11Å; E275-I283 HydrophobicContact CB-CD1 4.38Å; E275-I283 HydrophobicContact CG-CD1 3.49Å; E275-I283 VanDerWaalsContact CG-CD1 3.49Å; Y279-I283 WeakPolarHBondContact O-CG1 3.47Å; Y279-I283 PolarHBondContact O-N 3.15Å; Y279-I283 VanDerWaalsContact O-N 3.09Å; V280-I283 PolarHBondContact O-N 2.77Å; N281-I283 VanDerWaalsContact C-N 3.33Å; N281-I283 PolarHBondContact O-N 2.93Å; I283-D285 VanDerWaalsContact C-N 3.3Å; I283-D285 PolarHBondContact O-N 3.12Å; I283-L286 PolarHBondContact O-N 3.44Å; I283-E287 HydrophobicContact CG2-CG 4.46Å; I283-E287 WeakPolarHBondContact O-CG 3.36Å; I283-E287 PolarHBondContact O-N 2.67Å |
| 284 | A | 92 | Very high | 83.5 | Confident | 43 Ų | 43 | 76.5 Ų | 76.5 | 36% | 0.355 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.3 | -36.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V280 N281 L282 R288 | V280-A284 PolarHBondContact O-N 3.43Å; V280-A284 VanDerWaalsContact O-N 3.12Å; N281-A284 WeakPolarHBondContact O-CB 3.43Å; N281-A284 PolarHBondContact O-N 3.16Å; L282-A284 VanDerWaalsContact C-N 3.34Å; A284-R288 WeakPolarHBondContact O-CG 3.33Å; A284-R288 PolarHBondContact O-N 2.67Å; A284-R288 VanDerWaalsContact O-N 3.12Å |
| 285 | D | 91.1 | Very high | 80.4 | Confident | 67 Ų | 67 | 82.4 Ų | 82.4 | 36% | 0.358 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.5 | -46.1 | 176.3 | -66.2 | -12.8 | 0 | 0 | 0 | 111.5 | N281 L282 I283 E287 R288 S289 | N281-D285 PolarHBondContact O-N 2.62Å; L282-D285 PolarHBondContact O-N 3.34Å; I283-D285 VanDerWaalsContact C-N 3.3Å; I283-D285 PolarHBondContact O-N 3.12Å; D285-E287 PolarHBondContact O-N 2.88Å; D285-R288 PolarHBondContact O-N 3.39Å; D285-R288 IonicContact OD1-CZ 3.66Å; D285-R288 IonicContact OD1-NE 2.99Å; D285-R288 IonicContact OD1-NH2 3.77Å; D285-R288 PolarHBondContact OD1-NH2 3.26Å; D285-S289 PolarHBondContact O-N 2.72Å; D285-S289 PolarHBondContact O-OG 3.06Å |
| 286 | L | 92.2 | Very high | 77.4 | Confident | 7 Ų | 7 | 83.3 Ų | 83.3 | 4% | 0.037 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 176.4 | -74 | 171.9 | 0 | 0 | 0 | 112.2 | V221 A259 L260 I266 L274 L282 I283 R288 S289 G290 | V221-L286 WeakPolarHBondContact O-CD2 3.32Å; A259-L286 HydrophobicContact CB-CD1 4.15Å; A259-L286 HydrophobicContact CB-CD2 3.82Å; L260-L286 HydrophobicContact CD2-CB 4.14Å; L260-L286 HydrophobicContact CD2-CD2 4.16Å; L260-L286 HydrophobicContact CG-CD2 4.26Å; I266-L286 HydrophobicContact CD1-CB 3.65Å; I266-L286 HydrophobicContact CD1-CD1 4.16Å; I266-L286 HydrophobicContact CG1-CB 3.81Å; I266-L286 HydrophobicContact CG1-CD1 4.34Å; I266-L286 HydrophobicContact CG2-CD1 4.44Å; L274-L286 HydrophobicContact CD1-CD1 4.1Å; L282-L286 HydrophobicContact CD1-CD1 4.23Å; L282-L286 HydrophobicContact CD1-CG 4.14Å; L282-L286 HydrophobicContact CG-CD1 4.17Å; L282-L286 WeakPolarHBondContact O-CB 3.18Å; L282-L286 WeakPolarHBondContact O-CG 3.22Å; L282-L286 PolarHBondContact O-N 3.38Å; I283-L286 PolarHBondContact O-N 3.44Å; L286-R288 VanDerWaalsContact C-N 3.31Å; L286-R288 PolarHBondContact O-N 3.09Å; L286-S289 PolarHBondContact O-N 2.84Å; L286-G290 PolarHBondContact O-N 3.02Å |
| 287 | E | 90.7 | Very high | 74.3 | Confident | 78 Ų | 78 | 82.7 Ų | 82.7 | 36% | 0.364 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 176.1 | -74.7 | 179.3 | 163.5 | 0 | 0 | 111.9 | I266 R271 I283 D285 Q291 | I266-E287 HydrophobicContact CD1-CG 3.91Å; R271-E287 IonicContact CZ-OE1 2.66Å; R271-E287 VanDerWaalsContact CZ-OE1 3.23Å; R271-E287 IonicContact NH1-OE1 3.52Å; R271-E287 PolarHBondContact NH1-OE1 2.94Å; R271-E287 IonicContact NH2-OE1 3.74Å; R271-E287 PolarHBondContact NH2-OE1 3.04Å; I283-E287 HydrophobicContact CG2-CG 4.46Å; I283-E287 WeakPolarHBondContact O-CG 3.36Å; I283-E287 PolarHBondContact O-N 2.67Å; D285-E287 PolarHBondContact O-N 2.88Å; E287-Q291 WeakPolarHBondContact O-CG 3.42Å; E287-Q291 PolarHBondContact O-N 3.41Å |
| 288 | R | 87.1 | Confident | 71.4 | Confident | 162 Ų | 162 | 82 Ų | 82 | 61% | 0.611 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -66.6 | -45.6 | 173.9 | -72.5 | -173.3 | -65.9 | 158.5 | -4.5 | 111.8 | A284 D285 L286 G290 Q291 | A284-R288 WeakPolarHBondContact O-CG 3.33Å; A284-R288 PolarHBondContact O-N 2.67Å; A284-R288 VanDerWaalsContact O-N 3.12Å; D285-R288 PolarHBondContact O-N 3.39Å; D285-R288 IonicContact OD1-CZ 3.66Å; D285-R288 IonicContact OD1-NE 2.99Å; D285-R288 IonicContact OD1-NH2 3.77Å; D285-R288 PolarHBondContact OD1-NH2 3.26Å; L286-R288 VanDerWaalsContact C-N 3.31Å; L286-R288 PolarHBondContact O-N 3.09Å; R288-G290 VanDerWaalsContact C-N 3.34Å; R288-G290 PolarHBondContact O-N 3.2Å; R288-Q291 PolarHBondContact O-N 2.87Å |
| 289 | S | 80.9 | Confident | 68.6 | Low | 62 Ų | 62 | 88.2 Ų | 88.2 | 43% | 0.434 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 178.1 | -62.7 | 0 | 0 | 0 | 0 | 112.3 | D285 L286 Q291 V292 H293 | D285-S289 PolarHBondContact O-N 2.72Å; D285-S289 PolarHBondContact O-OG 3.06Å; L286-S289 PolarHBondContact O-N 2.84Å; S289-Q291 VanDerWaalsContact C-N 3.33Å; S289-Q291 PolarHBondContact O-N 2.99Å; S289-V292 PolarHBondContact O-N 3.36Å; S289-H293 PolarHBondContact O-CD2 2.87Å |
| 290 | G | 72.4 | Confident | 65.7 | Low | 3 Ų | 3 | 94.8 Ų | 94.8 | 3% | 0.031 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -62.3 | -35.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | G264 L286 R288 V292 H293 | G264-G290 VanDerWaalsContact O-CA 3.29Å; G264-G290 WeakPolarHBondContact O-CA 3.45Å; L286-G290 PolarHBondContact O-N 3.02Å; R288-G290 VanDerWaalsContact C-N 3.34Å; R288-G290 PolarHBondContact O-N 3.2Å; G290-V292 VanDerWaalsContact C-N 3.34Å; G290-V292 PolarHBondContact O-N 3.18Å; G290-H293 PolarHBondContact O-N 3.22Å |
| 291 | Q | 60.4 | Low | 62.9 | Low | 137 Ų | 137 | 96.7 Ų | 96.7 | 64% | 0.64 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.6 | -32.8 | 178 | -73 | 176.3 | 6.3 | 0 | 0 | 113 | E287 R288 S289 H293 I294 | E287-Q291 WeakPolarHBondContact O-CG 3.42Å; E287-Q291 PolarHBondContact O-N 3.41Å; R288-Q291 PolarHBondContact O-N 2.87Å; S289-Q291 VanDerWaalsContact C-N 3.33Å; S289-Q291 PolarHBondContact O-N 2.99Å; Q291-H293 VanDerWaalsContact C-N 3.34Å; Q291-I294 PolarHBondContact O-N 3.38Å |
| 292 | V | 55.5 | Low | 60.2 | Low | 101 Ų | 101 | 97.5 Ų | 97.5 | 61% | 0.612 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.4 | -37.5 | 179.3 | -179.6 | 0 | 0 | 0 | 0 | 110.9 | S289 G290 I294 I295 | S289-V292 PolarHBondContact O-N 3.36Å; G290-V292 VanDerWaalsContact C-N 3.34Å; G290-V292 PolarHBondContact O-N 3.18Å; V292-I294 VanDerWaalsContact C-N 3.26Å; V292-I294 PolarHBondContact O-N 3.34Å; V292-I295 PolarHBondContact O-N 2.82Å |
| 293 | H | 46.2 | Very low | 57.7 | Low | 148 Ų | 148 | 105.1 Ų | 105.1 | 69% | 0.685 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67 | -21.5 | 179.9 | -81 | -73.8 | 0 | 0 | 0 | 114.4 | S289 G290 Q291 I295 | S289-H293 PolarHBondContact O-CD2 2.87Å; G290-H293 PolarHBondContact O-N 3.22Å; Q291-H293 VanDerWaalsContact C-N 3.34Å; H293-I295 VanDerWaalsContact C-N 3.29Å |
| 294 | I | 41 | Very low | 55.4 | Low | 116 Ų | 116 | 113.8 Ų | 113.8 | 60% | 0.595 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -17.3 | 178.7 | -60.5 | 172.5 | 0 | 0 | 0 | 111.5 | Q291 V292 D296 | Q291-I294 PolarHBondContact O-N 3.38Å; V292-I294 VanDerWaalsContact C-N 3.26Å; V292-I294 PolarHBondContact O-N 3.34Å; I294-D296 PolarHBondContact O-N 2.88Å |
| 295 | I | 31.7 | Very low | 53.9 | Low | 123 Ų | 123 | 114.2 Ų | 114.2 | 63% | 0.631 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -77.9 | 92.6 | 177.7 | -53.4 | 178 | 0 | 0 | 0 | 108.3 | V292 H293 N297 | V292-I295 PolarHBondContact O-N 2.82Å; H293-I295 VanDerWaalsContact C-N 3.29Å; I295-N297 PolarHBondContact O-N 3.47Å |
| 296 | D | 33.4 | Very low | 52.8 | Low | 117 Ų | 117 | 115.5 Ų | 115.5 | 63% | 0.626 | 57% | 0.57 | S | S | * | * | trans | -46.2 | 107.4 | 172.9 | -175.8 | 13.9 | 0 | 0 | 0 | 111.3 | I294 S298 | I294-D296 PolarHBondContact O-N 2.88Å; D296-S298 PolarHBondContact O-N 3Å; D296-S298 VanDerWaalsContact O-N 3.07Å; D296-S298 VanDerWaalsContact OD1-CB 3.23Å; D296-S298 WeakPolarHBondContact OD1-CB 3.29Å; D296-S298 PolarHBondContact OD1-N 3.36Å; D296-S298 PolarHBondContact OD1-OG 3.26Å; D296-S298 WeakPolarHBondContact OD2-CB 3.48Å; D296-S298 PolarHBondContact OD2-OG 2.8Å | ||
| 297 | N | 30.1 | Very low | 51.9 | Low | 130 Ų | 130 | 116.6 Ų | 116.6 | 70% | 0.695 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -69.8 | 4.8 | 178.1 | -84.8 | -28.8 | 0 | 0 | 0 | 113.1 | I295 K299 F300 | I295-N297 PolarHBondContact O-N 3.47Å; N297-K299 PolarHBondContact O-N 3.03Å; N297-F300 PolarHBondContact O-N 3.16Å; N297-F300 VanDerWaalsContact O-N 3.15Å |
| 298 | S | 34.6 | Very low | 51.4 | Low | 60 Ų | 60 | 116.8 Ų | 116.8 | 42% | 0.42 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -53.9 | -21.1 | 177.3 | 63.3 | 0 | 0 | 0 | 0 | 114.3 | D296 F300 | D296-S298 PolarHBondContact O-N 3Å; D296-S298 VanDerWaalsContact O-N 3.07Å; D296-S298 VanDerWaalsContact OD1-CB 3.23Å; D296-S298 WeakPolarHBondContact OD1-CB 3.29Å; D296-S298 PolarHBondContact OD1-N 3.36Å; D296-S298 PolarHBondContact OD1-OG 3.26Å; D296-S298 WeakPolarHBondContact OD2-CB 3.48Å; D296-S298 PolarHBondContact OD2-OG 2.8Å; S298-F300 PolarHBondContact O-N 2.86Å |
| 299 | K | 34.4 | Very low | 51.7 | Low | 184 Ų | 184 | 109.7 Ų | 109.7 | 80% | 0.8 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -77.1 | -13.1 | -179.9 | -68.5 | -173 | -179.9 | 177.8 | 0 | 115.4 | N297 | N297-K299 PolarHBondContact O-N 3.03Š|
| 300 | F | 33.7 | Very low | 52.2 | Low | 193 Ų | 193 | 110 Ų | 110 | 85% | 0.846 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -91.5 | -8 | -177.1 | -115.4 | -86.2 | 0 | 0 | 0 | 114.9 | N297 S298 N302 | N297-F300 PolarHBondContact O-N 3.16Å; N297-F300 VanDerWaalsContact O-N 3.15Å; S298-F300 PolarHBondContact O-N 2.86Å; F300-N302 PolarHBondContact O-N 3.42Å |
| 301 | L | 33.1 | Very low | 53.2 | Low | 140 Ų | 140 | 111.2 Ų | 111.2 | 73% | 0.733 | 54% | 0.544 | S | S | * | . | trans | -91.9 | 14.4 | -171.7 | -69.8 | 173.9 | 0 | 0 | 0 | 115.9 | Q303 | L301-Q303 PolarHBondContact O-N 2.95Š| ||
| 302 | N | 34.7 | Very low | 54.8 | Low | 148 Ų | 148 | 105.1 Ų | 105.1 | 79% | 0.791 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -91.8 | 17.3 | -172 | -82.3 | -14.3 | 0 | 0 | 0 | 116.4 | F300 | F300-N302 PolarHBondContact O-N 3.42Š|
| 303 | Q | 41.6 | Very low | 56.6 | Low | 177 Ų | 177 | 101 Ų | 101 | 83% | 0.827 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -140.5 | 102.6 | 166.5 | -65.7 | -173.8 | 1.3 | 0 | 0 | 108.7 | L301 P305 | L301-Q303 PolarHBondContact O-N 2.95Å; Q303-P305 WeakPolarHBondContact O-CD 3.47Å; Q303-P305 VanDerWaalsContact O-N 3.08Å |
| 304 | E | 47.3 | Very low | 58.9 | Low | 194 Ų | 194 | 99 Ų | 99 | 91% | 0.907 | 49% | 0.485 | S | S | * | . | trans | -57.3 | 113.6 | 169.5 | -79.3 | -175.2 | 163.4 | 0 | 0 | 108.4 | W306 | E304-W306 PolarHBondContact O-N 2.84Š| ||
| 305 | P | 59.2 | Low | 61.4 | Low | 52 Ų | 52 | 94.6 Ų | 94.6 | 34% | 0.338 | 46% | 0.464 | S | S | . | . | trans | -69.4 | 135.7 | 179.1 | 30.4 | -33.3 | 0 | 0 | 0 | 108.5 | Q303 Y307 M418 | Q303-P305 WeakPolarHBondContact O-CD 3.47Å; Q303-P305 VanDerWaalsContact O-N 3.08Å; P305-Y307 WeakPolarHBondContact CB-O 3.17Å; P305-Y307 PolarHBondContact O-N 2.84Å; P305-Y307 VanDerWaalsContact O-N 3.11Å; P305-M418 HydrophobicContact CB-CG 4.4Å; P305-M418 HydrophobicContact CG-CB 4.21Å; P305-M418 HydrophobicContact CG-CG 4.47Å | ||
| 306 | W | 68.5 | Low | 64.3 | Low | 94 Ų | 94 | 95.3 Ų | 95.3 | 36% | 0.356 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -71.1 | -5.4 | -177.4 | 67.1 | -87.5 | 0 | 0 | 0 | 113.7 | E304 P345 L360 R362 V367 | E304-W306 PolarHBondContact O-N 2.84Å; W306-P345 HydrophobicContact CH2-CB 4.04Å; W306-P345 HydrophobicContact CH2-CG 3.66Å; W306-P345 HydrophobicContact CZ2-CG 4.43Å; W306-P345 HydrophobicContact CZ3-CB 4.37Å; W306-P345 HydrophobicContact CZ3-CG 4.28Å; W306-L360 HydrophobicContact CZ3-CB 4.23Å; W306-R362 HydrophobicContact CE3-CB 4.46Å; W306-R362 HydrophobicContact CH2-CB 4.15Å; W306-R362 HydrophobicContact CZ3-CB 4.09Å; W306-V367 HydrophobicContact CB-CG2 4.21Å; W306-V367 HydrophobicContact CD2-CG2 4.39Å; W306-V367 HydrophobicContact CE3-CG1 4.05Å; W306-V367 HydrophobicContact CE3-CG2 3.67Å; W306-V367 HydrophobicContact CZ3-CG1 4.31Å; W306-V367 HydrophobicContact CZ3-CG2 4.47Å |
| 307 | Y | 72.9 | Confident | 66.9 | Low | 30 Ų | 30 | 91 Ų | 91 | 12% | 0.118 | 44% | 0.442 | C | S | . | . | trans | -139.2 | 151.4 | 164.9 | 59.6 | -90.4 | 0 | 0 | 0 | 109 | P305 F309 R310 P345 M418 | P305-Y307 WeakPolarHBondContact CB-O 3.17Å; P305-Y307 PolarHBondContact O-N 2.84Å; P305-Y307 VanDerWaalsContact O-N 3.11Å; Y307-F309 WeakPolarHBondContact CD2-O 3.43Å; Y307-R310 HydrophobicContact CD2-CG 4.06Å; Y307-R310 HydrophobicContact CE2-CG 3.59Å; Y307-R310 VanDerWaalsContact OH-CZ 3.29Å; Y307-R310 PolarHBondContact OH-NE 3.3Å; Y307-R310 PolarHBondContact OH-NH2 3.22Å; Y307-P345 HydrophobicContact CD1-CB 3.67Å; Y307-P345 HydrophobicContact CD2-CB 4.02Å; Y307-P345 HydrophobicContact CE1-CB 4.24Å; Y307-P345 HydrophobicContact CG-CB 3.56Å; Y307-M418 HydrophobicContact CD2-CG 4.28Å; Y307-M418 HydrophobicContact CE2-CG 4Å; Y307-M418 HydrophobicContact CE2-SD 3.84Å | ||
| 308 | H | 81.9 | Confident | 69.7 | Low | 82 Ų | 82 | 85.9 Ų | 85.9 | 38% | 0.38 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -98.7 | -29.3 | -178.2 | -67.5 | -104.8 | 0 | 0 | 0 | 111.9 | S417 M418 E422 | H308-S417 WeakPolarHBondContact O-CA 3.38Å; H308-M418 PolarHBondContact O-N 2.86Å; H308-E422 WeakPolarHBondContact CB-OE2 3.13Å; H308-E422 IonicContact CE1-OE1 2.77Å; H308-E422 PolarHBondContact CE1-OE1 3.36Å; H308-E422 IonicContact CE1-OE2 3.13Å; H308-E422 IonicContact CG-OE1 2.84Å; H308-E422 IonicContact CG-OE2 2.77Å; H308-E422 IonicContact ND1-OE1 3.21Å; H308-E422 PolarHBondContact ND1-OE1 3.43Å; H308-E422 IonicContact ND1-OE2 3.63Å; H308-E422 PolarHBondContact ND1-OE2 2.94Å |
| 309 | F | 92 | Very high | 72.1 | Confident | 12 Ų | 12 | 87.9 Ų | 87.9 | 5% | 0.053 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 152.1 | -174.8 | -49.3 | -65.4 | 0 | 0 | 0 | 112.2 | Y307 P345 V346 I348 F395 E416 E422 I426 | Y307-F309 WeakPolarHBondContact CD2-O 3.43Å; F309-P345 WeakPolarHBondContact O-CA 3.45Å; F309-V346 HydrophobicContact CB-CG2 3.85Å; F309-V346 PolarHBondContact O-N 3.14Å; F309-I348 HydrophobicContact CB-CD1 4.28Å; F309-I348 HydrophobicContact CD2-CB 4.25Å; F309-I348 HydrophobicContact CD2-CD1 4.14Å; F309-I348 HydrophobicContact CD2-CG1 4Å; F309-I348 HydrophobicContact CE2-CB 4.47Å; F309-I348 HydrophobicContact CG-CD1 4.08Å; F309-I348 HydrophobicContact CG-CG1 4.36Å; F309-F395 AromaticContact CD1-CE1 3.77Å; F309-F395 HydrophobicContact CD1-CE1 3.77Å; F309-F395 AromaticContact CD1-CZ 3.84Å; F309-F395 HydrophobicContact CD1-CZ 3.84Å; F309-F395 HydrophobicContact CE1-CE1 4.21Å; F309-F395 HydrophobicContact CE1-CZ 4.26Å; F309-F395 HydrophobicContact CG-CZ 4.4Å; F309-E416 CarbonylContact C-O 3.6Å; F309-E416 VanDerWaalsContact CA-O 3.22Å; F309-E416 WeakPolarHBondContact CA-O 3.49Å; F309-E422 HydrophobicContact CE1-CB 4.03Å; F309-E422 HydrophobicContact CZ-CB 4.16Å; F309-I426 HydrophobicContact CE1-CG1 3.84Å; F309-I426 HydrophobicContact CE2-CD1 4.11Å; F309-I426 HydrophobicContact CE2-CG1 4.1Å; F309-I426 HydrophobicContact CZ-CD1 3.88Å; F309-I426 HydrophobicContact CZ-CG1 3.41Å; F309-I426 VanDerWaalsContact CZ-CG1 3.41Å |
| 310 | R | 91.9 | Very high | 74.2 | Confident | 69 Ų | 69 | 81.9 Ų | 81.9 | 26% | 0.26 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137.7 | 164.2 | -63.4 | -176.5 | -173.2 | 158.4 | 5.6 | 110 | Y307 I312 S344 F415 E416 | Y307-R310 HydrophobicContact CD2-CG 4.06Å; Y307-R310 HydrophobicContact CE2-CG 3.59Å; Y307-R310 VanDerWaalsContact OH-CZ 3.29Å; Y307-R310 PolarHBondContact OH-NE 3.3Å; Y307-R310 PolarHBondContact OH-NH2 3.22Å; R310-I312 HydrophobicContact CB-CD1 3.99Å; R310-S344 CarbonylContact C-O 3.54Å; R310-S344 VanDerWaalsContact CA-O 3.29Å; R310-S344 WeakPolarHBondContact CA-O 3Å; R310-F415 CarbonylContact O-C 3.59Å; R310-F415 WeakPolarHBondContact O-CA 3.4Å; R310-E416 HydrophobicContact CB-CB 4.48Å; R310-E416 PolarHBondContact N-O 3.36Å; R310-E416 IonicContact NH1-OE2 3.3Å; R310-E416 PolarHBondContact O-N 3.42Å |
| 311 | Y | 94.2 | Very high | 76.4 | Confident | 29 Ų | 29 | 73.1 Ų | 73.1 | 11% | 0.114 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 121.9 | 163.5 | 177.9 | -118.4 | 0 | 0 | 0 | 108.5 | G313 Q314 Q343 S344 L374 L375 Y413 V414 F415 | Y311-G313 VanDerWaalsContact CE2-O 3.23Å; Y311-G313 WeakPolarHBondContact CE2-O 3.22Å; Y311-Q314 WeakPolarHBondContact OH-CB 3.5Å; Y311-Q314 WeakPolarHBondContact OH-CG 3.46Å; Y311-Q314 PolarHBondContact OH-OE1 2.97Å; Y311-Q343 WeakPolarHBondContact O-CA 3.48Å; Y311-S344 PolarHBondContact N-O 3.31Å; Y311-S344 PolarHBondContact O-N 2.83Å; Y311-S344 VanDerWaalsContact O-N 3.11Å; Y311-L374 HydrophobicContact CD1-CD2 3.79Å; Y311-L374 HydrophobicContact CE1-CD2 4.38Å; Y311-L374 HydrophobicContact CG-CD2 4.07Å; Y311-L375 HydrophobicContact CD2-CD1 4.43Å; Y311-L375 HydrophobicContact CE2-CD1 4.06Å; Y311-Y413 HydrophobicContact CE2-CD1 4.27Å; Y311-V414 WeakPolarHBondContact CD2-O 3.44Å; Y311-F415 AromaticContact CD2-CD1 3.91Å; Y311-F415 HydrophobicContact CD2-CD1 3.91Å; Y311-F415 AromaticContact CD2-CE1 3.47Å; Y311-F415 HydrophobicContact CD2-CE1 3.47Å; Y311-F415 VanDerWaalsContact CD2-CE1 3.47Å; Y311-F415 AromaticContact CD2-CZ 3.85Å; Y311-F415 HydrophobicContact CD2-CZ 3.85Å; Y311-F415 HydrophobicContact CE2-CE1 4.33Å; Y311-F415 HydrophobicContact CE2-CZ 4.29Å; Y311-F415 HydrophobicContact CG-CE1 4.2Å |
| 312 | I | 92.8 | Very high | 78.7 | Confident | 8 Ų | 8 | 67.5 Ų | 67.5 | 4% | 0.041 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -37.6 | -174.4 | -55.3 | -57.3 | 0 | 0 | 0 | 110.7 | R310 V333 L334 L337 Q343 V414 E416 | R310-I312 HydrophobicContact CB-CD1 3.99Å; I312-V333 HydrophobicContact CG2-CG1 3.95Å; I312-L334 HydrophobicContact CG2-CD2 4.01Å; I312-L337 HydrophobicContact CG2-CD1 3.69Å; I312-L337 HydrophobicContact CG2-CD2 4.06Å; I312-L337 HydrophobicContact CG2-CG 4.2Å; I312-Q343 HydrophobicContact CD1-CB 4.39Å; I312-Q343 HydrophobicContact CD1-CG 3.83Å; I312-V414 HydrophobicContact CB-CB 4.46Å; I312-V414 HydrophobicContact CB-CG1 4.16Å; I312-V414 HydrophobicContact CG1-CG1 4.49Å; I312-V414 PolarHBondContact N-O 2.95Å; I312-E416 HydrophobicContact CD1-CB 3.72Å; I312-E416 HydrophobicContact CG1-CB 3.95Å |
| 313 | G | 93.3 | Very high | 80.9 | Confident | 15 Ų | 15 | 64.9 Ų | 64.9 | 16% | 0.155 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.3 | -168.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y311 V414 | Y311-G313 VanDerWaalsContact CE2-O 3.23Å; Y311-G313 WeakPolarHBondContact CE2-O 3.22Å; G313-V414 PolarHBondContact N-O 3.25Å; G313-V414 PolarHBondContact O-N 3.42Å |
| 314 | Q | 94.6 | Very high | 82.7 | Confident | 106 Ų | 106 | 61.6 Ų | 61.6 | 50% | 0.495 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 155.7 | 179.6 | 60.6 | -175 | 55.1 | 0 | 0 | 111.4 | Y311 T411 C412 Y413 | Y311-Q314 WeakPolarHBondContact OH-CB 3.5Å; Y311-Q314 WeakPolarHBondContact OH-CG 3.46Å; Y311-Q314 PolarHBondContact OH-OE1 2.97Å; Q314-T411 HydrophobicContact CB-CG2 3.81Å; Q314-T411 HydrophobicContact CG-CG2 4.28Å; Q314-C412 CarbonylContact C-O 3.52Å; Q314-C412 WeakPolarHBondContact CA-O 3.28Å; Q314-C412 WeakPolarHBondContact CB-O 3.29Å; Q314-Y413 HydrophobicContact CB-CD1 3.96Å; Q314-Y413 HydrophobicContact CB-CE1 4.25Å |
| 315 | C | 93.5 | Very high | 84.5 | Confident | 24 Ų | 24 | 54.3 Ų | 54.3 | 16% | 0.162 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 147.7 | 168.8 | 68.5 | 0 | 0 | 0 | 0 | 110.9 | S329 V333 C412 | C315-S329 WeakPolarHBondContact SG-CB 3.4Å; C315-S329 PolarHBondContact SG-OG 3.1Å; C315-S329 VanDerWaalsContact SG-OG 3.38Å; C315-V333 HydrophobicContact CB-CG2 3.81Å; C315-C412 PolarHBondContact N-O 3.26Å; C315-C412 PolarHBondContact O-N 3.15Å |
| 316 | E | 92.5 | Very high | 85.9 | Confident | 138 Ų | 138 | 52 Ų | 52 | 65% | 0.645 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 133.2 | 174.8 | -163.5 | 178.2 | 168.6 | 0 | 0 | 110.5 | ||
| 317 | V | 88.7 | Confident | 86.6 | Confident | 25 Ų | 25 | 49.7 Ų | 49.7 | 15% | 0.152 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -15.2 | -179.4 | -168.3 | 0 | 0 | 0 | 0 | 111.3 | S320 F325 I398 F410 C412 | V317-S320 VanDerWaalsContact CG1-O 3.32Å; V317-S320 WeakPolarHBondContact CG1-O 3.49Å; V317-F325 HydrophobicContact CG1-CB 3.44Å; V317-F325 VanDerWaalsContact CG1-CB 3.44Å; V317-F325 HydrophobicContact CG1-CD1 3.75Å; V317-F325 HydrophobicContact CG1-CD2 3.64Å; V317-F325 HydrophobicContact CG1-CE1 4.41Å; V317-F325 HydrophobicContact CG1-CE2 4.33Å; V317-F325 HydrophobicContact CG1-CG 3.32Å; V317-I398 HydrophobicContact CG1-CD1 4.45Å; V317-I398 HydrophobicContact CG2-CD1 4.2Å; V317-I398 HydrophobicContact CG2-CG1 4.42Å; V317-I398 HydrophobicContact CG2-CG2 4.35Å; V317-F410 HydrophobicContact CB-CB 4.39Å; V317-F410 PolarHBondContact N-O 2.96Å; V317-C412 HydrophobicContact CG2-CB 3.62Å |
| 318 | G | 87.9 | Confident | 87.2 | Confident | 23 Ų | 23 | 53.8 Ų | 53.8 | 24% | 0.237 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 87.2 | -140.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S320 H409 F410 | G318-S320 PolarHBondContact O-N 3.4Å; G318-H409 CarbonylContact O-C 3.6Å; G318-H409 WeakPolarHBondContact O-CA 3.4Å; G318-F410 PolarHBondContact O-N 2.87Å |
| 319 | S | 85 | Confident | 87.6 | Confident | 103 Ų | 103 | 50.1 Ų | 50.1 | 72% | 0.72 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -88.9 | 4.6 | -169.2 | 58.7 | 0 | 0 | 0 | 0 | 116.3 | S408 | S319-S408 WeakPolarHBondContact CA-O 3.49Å; S319-S408 WeakPolarHBondContact CB-O 3.3Å |
| 320 | S | 79.6 | Confident | 87.5 | Confident | 58 Ų | 58 | 49.5 Ų | 49.5 | 41% | 0.406 | 28% | 0.279 | S | S | . | . | trans | -131 | 122.8 | 179.1 | -175.2 | 0 | 0 | 0 | 0 | 110.7 | V317 G318 F325 | V317-S320 VanDerWaalsContact CG1-O 3.32Å; V317-S320 WeakPolarHBondContact CG1-O 3.49Å; G318-S320 PolarHBondContact O-N 3.4Å; S320-F325 WeakPolarHBondContact O-CD2 3.33Å; S320-F325 WeakPolarHBondContact O-CE2 3.46Å | ||
| 321 | G | 79.4 | Confident | 87.3 | Confident | 8 Ų | 8 | 49.3 Ų | 49.3 | 8% | 0.082 | 29% | 0.285 | C | S | . | . | trans | -94.7 | 22.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S383 S384 | G321-S383 VanDerWaalsContact CA-OG 3.23Å; G321-S383 WeakPolarHBondContact CA-OG 3.44Å; G321-S383 WeakPolarHBondContact O-CB 3.44Å; G321-S383 PolarHBondContact O-OG 3.43Å; G321-S384 WeakPolarHBondContact O-CB 3.22Å; G321-S384 PolarHBondContact O-OG 3.11Å | ||
| 322 | G | 80.2 | Confident | 87 | Confident | 23 Ų | 23 | 50.1 Ų | 50.1 | 24% | 0.237 | 30% | 0.295 | C | S | . | . | trans | -65.1 | 150.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | N324 F325 | G322-N324 PolarHBondContact O-N 2.88Å; G322-N324 VanDerWaalsContact O-N 3.15Å; G322-F325 WeakPolarHBondContact O-CB 3.12Å; G322-F325 VanDerWaalsContact O-CD2 3.27Å; G322-F325 WeakPolarHBondContact O-CD2 3.39Å; G322-F325 PolarHBondContact O-N 2.86Å | ||
| 323 | V | 81.5 | Confident | 86.9 | Confident | 92 Ų | 92 | 50.3 Ų | 50.3 | 56% | 0.558 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -60.3 | -26.1 | -178.8 | 69.6 | 0 | 0 | 0 | 0 | 113.5 | F325 I326 | V323-F325 PolarHBondContact O-N 2.93Å; V323-F325 VanDerWaalsContact O-N 3.1Å; V323-I326 HydrophobicContact CG2-CG1 4.26Å; V323-I326 WeakPolarHBondContact O-CB 3.44Å; V323-I326 WeakPolarHBondContact O-CG1 3.43Å; V323-I326 PolarHBondContact O-N 2.85Å |
| 324 | N | 79.6 | Confident | 86.6 | Confident | 108 Ų | 108 | 51.6 Ų | 51.6 | 58% | 0.578 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -61.2 | -17.7 | 175.9 | 59.9 | -68.4 | 0 | 0 | 0 | 113.4 | G322 | G322-N324 PolarHBondContact O-N 2.88Å; G322-N324 VanDerWaalsContact O-N 3.15Å |
| 325 | F | 86.2 | Confident | 86.2 | Confident | 41 Ų | 41 | 50.7 Ų | 50.7 | 18% | 0.18 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -84.2 | -17.4 | 176.4 | -62.9 | -68.1 | 0 | 0 | 0 | 113.5 | V317 S320 G322 V323 N327 Q328 S329 I398 | V317-F325 HydrophobicContact CG1-CB 3.44Å; V317-F325 VanDerWaalsContact CG1-CB 3.44Å; V317-F325 HydrophobicContact CG1-CD1 3.75Å; V317-F325 HydrophobicContact CG1-CD2 3.64Å; V317-F325 HydrophobicContact CG1-CE1 4.41Å; V317-F325 HydrophobicContact CG1-CE2 4.33Å; V317-F325 HydrophobicContact CG1-CG 3.32Å; S320-F325 WeakPolarHBondContact O-CD2 3.33Å; S320-F325 WeakPolarHBondContact O-CE2 3.46Å; G322-F325 WeakPolarHBondContact O-CB 3.12Å; G322-F325 VanDerWaalsContact O-CD2 3.27Å; G322-F325 WeakPolarHBondContact O-CD2 3.39Å; G322-F325 PolarHBondContact O-N 2.86Å; V323-F325 PolarHBondContact O-N 2.93Å; V323-F325 VanDerWaalsContact O-N 3.1Å; F325-N327 PolarHBondContact O-N 2.94Å; F325-Q328 WeakPolarHBondContact O-CG 3.46Å; F325-S329 WeakPolarHBondContact O-CB 3.49Å; F325-S329 PolarHBondContact O-N 2.87Å; F325-S329 PolarHBondContact O-OG 3.23Å; F325-I398 HydrophobicContact CB-CD1 3.82Å |
| 326 | I | 88.2 | Confident | 85.8 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.9 | -55.3 | -174 | -67.6 | -72.3 | 0 | 0 | 0 | 111.8 | V323 Q328 S329 I330 A396 I398 | V323-I326 HydrophobicContact CG2-CG1 4.26Å; V323-I326 WeakPolarHBondContact O-CB 3.44Å; V323-I326 WeakPolarHBondContact O-CG1 3.43Å; V323-I326 PolarHBondContact O-N 2.85Å; I326-Q328 PolarHBondContact O-N 3.08Å; I326-S329 PolarHBondContact O-N 2.82Å; I326-I330 HydrophobicContact CG2-CD1 3.76Å; I326-I330 HydrophobicContact CG2-CG1 4.47Å; I326-I330 VanDerWaalsContact O-CG1 3.3Å; I326-I330 WeakPolarHBondContact O-CG1 3.34Å; I326-I330 PolarHBondContact O-N 3.17Å; I326-A396 HydrophobicContact CD1-CB 4.23Å; I326-A396 HydrophobicContact CG2-CB 4.4Å; I326-I398 HydrophobicContact CD1-CD1 3.92Å; I326-I398 HydrophobicContact CD1-CG1 3.71Å; I326-I398 HydrophobicContact CG1-CD1 4.29Å |
| 327 | N | 83.4 | Confident | 85.3 | Confident | 45 Ų | 45 | 50.4 Ų | 50.4 | 24% | 0.241 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.1 | -48.5 | -173.3 | -163.4 | -30.9 | 0 | 0 | 0 | 111.2 | F325 S329 I330 V331 | F325-N327 PolarHBondContact O-N 2.94Å; N327-S329 VanDerWaalsContact C-N 3.32Å; N327-S329 PolarHBondContact O-N 2.89Å; N327-I330 PolarHBondContact O-N 3.28Å; N327-V331 VanDerWaalsContact O-CG2 3.28Å; N327-V331 WeakPolarHBondContact O-CG2 3.37Å; N327-V331 PolarHBondContact O-N 3.42Å |
| 328 | Q | 85 | Confident | 84.7 | Confident | 117 Ų | 117 | 57.7 Ų | 57.7 | 55% | 0.547 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.2 | -35 | 177.3 | 61.3 | 166 | 55.3 | 0 | 0 | 113.3 | F325 I326 V331 S332 | F325-Q328 WeakPolarHBondContact O-CG 3.46Å; I326-Q328 PolarHBondContact O-N 3.08Å; Q328-V331 PolarHBondContact O-N 2.82Å; Q328-S332 WeakPolarHBondContact O-CB 3.3Å; Q328-S332 PolarHBondContact O-N 2.82Å |
| 329 | S | 90.2 | Very high | 83.8 | Confident | 4 Ų | 4 | 61 Ų | 61 | 3% | 0.028 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68 | -42.3 | 176.6 | -74.1 | 0 | 0 | 0 | 0 | 111.5 | C315 F325 I326 N327 S332 V333 C412 | C315-S329 WeakPolarHBondContact SG-CB 3.4Å; C315-S329 PolarHBondContact SG-OG 3.1Å; C315-S329 VanDerWaalsContact SG-OG 3.38Å; F325-S329 WeakPolarHBondContact O-CB 3.49Å; F325-S329 PolarHBondContact O-N 2.87Å; F325-S329 PolarHBondContact O-OG 3.23Å; I326-S329 PolarHBondContact O-N 2.82Å; N327-S329 VanDerWaalsContact C-N 3.32Å; N327-S329 PolarHBondContact O-N 2.89Å; S329-S332 PolarHBondContact O-N 2.92Å; S329-V333 WeakPolarHBondContact O-CG2 3.36Å; S329-V333 PolarHBondContact O-N 3.5Å; S329-C412 WeakPolarHBondContact CB-SG 3.48Å |
| 330 | I | 90.2 | Very high | 82.8 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 174.3 | -61.3 | 168.4 | 0 | 0 | 0 | 110 | I326 N327 S332 V333 L334 R388 Y394 A396 V414 | I326-I330 HydrophobicContact CG2-CD1 3.76Å; I326-I330 HydrophobicContact CG2-CG1 4.47Å; I326-I330 VanDerWaalsContact O-CG1 3.3Å; I326-I330 WeakPolarHBondContact O-CG1 3.34Å; I326-I330 PolarHBondContact O-N 3.17Å; N327-I330 PolarHBondContact O-N 3.28Å; I330-S332 VanDerWaalsContact C-N 3.31Å; I330-S332 PolarHBondContact O-N 3.49Å; I330-V333 PolarHBondContact O-N 3.48Å; I330-L334 HydrophobicContact CG2-CD1 3.74Å; I330-L334 HydrophobicContact CG2-CG 4.18Å; I330-L334 WeakPolarHBondContact O-CB 3.48Å; I330-L334 WeakPolarHBondContact O-CG 3.3Å; I330-L334 PolarHBondContact O-N 3.49Å; I330-R388 HydrophobicContact CB-CG 4.02Å; I330-R388 HydrophobicContact CD1-CG 3.84Å; I330-R388 VanDerWaalsContact CG2-CD 3.43Å; I330-R388 HydrophobicContact CG2-CG 3.76Å; I330-Y394 HydrophobicContact CG2-CG 4.45Å; I330-A396 HydrophobicContact CD1-CB 3.87Å; I330-A396 HydrophobicContact CG1-CB 3.74Å; I330-V414 HydrophobicContact CB-CG1 4.34Å; I330-V414 HydrophobicContact CG1-CG1 4.08Å; I330-V414 HydrophobicContact CG1-CG2 4.03Å; I330-V414 HydrophobicContact CG2-CG1 3.88Å |
| 331 | V | 86.6 | Confident | 82.1 | Confident | 64 Ų | 64 | 65.2 Ų | 65.2 | 39% | 0.388 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -55.5 | -47.4 | 174.4 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | N327 Q328 L334 S335 | N327-V331 VanDerWaalsContact O-CG2 3.28Å; N327-V331 WeakPolarHBondContact O-CG2 3.37Å; N327-V331 PolarHBondContact O-N 3.42Å; Q328-V331 PolarHBondContact O-N 2.82Å; V331-L334 PolarHBondContact O-N 2.76Å; V331-S335 WeakPolarHBondContact O-CB 3.27Å; V331-S335 PolarHBondContact O-N 3.49Å; V331-S335 PolarHBondContact O-OG 2.67Å |
| 332 | S | 88.6 | Confident | 81.6 | Confident | 47 Ų | 47 | 70.1 Ų | 70.1 | 33% | 0.329 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.6 | -49.3 | -177.9 | -174.6 | 0 | 0 | 0 | 0 | 111.8 | Q328 S329 I330 L334 S335 N336 | Q328-S332 WeakPolarHBondContact O-CB 3.3Å; Q328-S332 PolarHBondContact O-N 2.82Å; S329-S332 PolarHBondContact O-N 2.92Å; I330-S332 VanDerWaalsContact C-N 3.31Å; I330-S332 PolarHBondContact O-N 3.49Å; S332-L334 PolarHBondContact O-N 2.84Å; S332-S335 PolarHBondContact O-N 2.99Å; S332-S335 PolarHBondContact O-OG 3.04Å; S332-N336 PolarHBondContact O-N 3.11Å; S332-N336 VanDerWaalsContact O-N 3.12Å; S332-N336 PolarHBondContact O-ND2 3.21Å |
| 333 | V | 90.5 | Very high | 81.7 | Confident | 11 Ų | 11 | 70.9 Ų | 70.9 | 7% | 0.067 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.8 | -46 | 177.3 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | I312 C315 S329 I330 S335 N336 L337 V414 | I312-V333 HydrophobicContact CG2-CG1 3.95Å; C315-V333 HydrophobicContact CB-CG2 3.81Å; S329-V333 WeakPolarHBondContact O-CG2 3.36Å; S329-V333 PolarHBondContact O-N 3.5Å; I330-V333 PolarHBondContact O-N 3.48Å; V333-S335 VanDerWaalsContact C-N 3.33Å; V333-S335 PolarHBondContact O-N 2.8Å; V333-N336 PolarHBondContact O-N 2.74Å; V333-L337 PolarHBondContact O-N 2.96Å; V333-V414 HydrophobicContact CB-CB 4.31Å; V333-V414 HydrophobicContact CB-CG2 3.95Å; V333-V414 HydrophobicContact CG1-CB 4.09Å; V333-V414 HydrophobicContact CG1-CG1 4.45Å; V333-V414 HydrophobicContact CG1-CG2 4.25Å; V333-V414 HydrophobicContact CG2-CB 4.45Å; V333-V414 HydrophobicContact CG2-CG2 3.74Å |
| 334 | L | 88 | Confident | 82 | Confident | 42 Ų | 42 | 67.7 Ų | 67.7 | 22% | 0.22 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.8 | -38.6 | 178.6 | -70.1 | 174.4 | 0 | 0 | 0 | 112.5 | I312 I330 V331 S332 N336 L337 Y394 | I312-L334 HydrophobicContact CG2-CD2 4.01Å; I330-L334 HydrophobicContact CG2-CD1 3.74Å; I330-L334 HydrophobicContact CG2-CG 4.18Å; I330-L334 WeakPolarHBondContact O-CB 3.48Å; I330-L334 WeakPolarHBondContact O-CG 3.3Å; I330-L334 PolarHBondContact O-N 3.49Å; V331-L334 PolarHBondContact O-N 2.76Å; S332-L334 PolarHBondContact O-N 2.84Å; L334-N336 VanDerWaalsContact C-N 3.28Å; L334-N336 PolarHBondContact O-N 2.93Å; L334-L337 HydrophobicContact CD2-CD1 3.78Å; L334-L337 WeakPolarHBondContact O-CB 3.35Å; L334-L337 PolarHBondContact O-N 3.2Å; L334-Y394 HydrophobicContact CD1-CD1 4.39Å; L334-Y394 HydrophobicContact CD1-CD2 4.2Å; L334-Y394 HydrophobicContact CD1-CE2 4.32Å; L334-Y394 HydrophobicContact CD1-CG 4.24Å; L334-Y394 HydrophobicContact CD2-CD1 4.12Å; L334-Y394 HydrophobicContact CD2-CE1 3.82Å |
| 335 | S | 85.8 | Confident | 82.5 | Confident | 87 Ų | 87 | 63.8 Ų | 63.8 | 61% | 0.608 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -70.1 | -24.8 | 179.1 | 69.7 | 0 | 0 | 0 | 0 | 113.7 | V331 S332 V333 | V331-S335 WeakPolarHBondContact O-CB 3.27Å; V331-S335 PolarHBondContact O-N 3.49Å; V331-S335 PolarHBondContact O-OG 2.67Å; S332-S335 PolarHBondContact O-N 2.99Å; S332-S335 PolarHBondContact O-OG 3.04Å; V333-S335 VanDerWaalsContact C-N 3.33Å; V333-S335 PolarHBondContact O-N 2.8Å |
| 336 | N | 85 | Confident | 82.9 | Confident | 109 Ų | 109 | 61.9 Ų | 61.9 | 58% | 0.583 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -3.2 | -179.8 | -73.5 | -41.3 | 0 | 0 | 0 | 113.4 | S332 V333 L334 K338 | S332-N336 PolarHBondContact O-N 3.11Å; S332-N336 VanDerWaalsContact O-N 3.12Å; S332-N336 PolarHBondContact O-ND2 3.21Å; V333-N336 PolarHBondContact O-N 2.74Å; L334-N336 VanDerWaalsContact C-N 3.28Å; L334-N336 PolarHBondContact O-N 2.93Å; N336-K338 PolarHBondContact O-N 3.18Å |
| 337 | L | 82.4 | Confident | 83 | Confident | 47 Ų | 47 | 64.4 Ų | 64.4 | 25% | 0.246 | 35% | 0.347 | C | S | . | . | trans | -63.3 | 107.2 | 174.4 | -80 | 162.2 | 0 | 0 | 0 | 110.1 | I312 V333 L334 Q343 | I312-L337 HydrophobicContact CG2-CD1 3.69Å; I312-L337 HydrophobicContact CG2-CD2 4.06Å; I312-L337 HydrophobicContact CG2-CG 4.2Å; V333-L337 PolarHBondContact O-N 2.96Å; L334-L337 HydrophobicContact CD2-CD1 3.78Å; L334-L337 WeakPolarHBondContact O-CB 3.35Å; L334-L337 PolarHBondContact O-N 3.2Å; L337-Q343 HydrophobicContact CD2-CG 4.24Å | ||
| 338 | K | 74.6 | Confident | 83.4 | Confident | 179 Ų | 179 | 62.8 Ų | 62.8 | 78% | 0.778 | 34% | 0.338 | S | S | * | . | trans | -88 | -35 | 176.7 | -68.5 | -178.9 | -176.8 | 175.7 | 0 | 112.3 | N336 | N336-K338 PolarHBondContact O-N 3.18Š| ||
| 339 | N | 70.1 | Confident | 83.6 | Confident | 92 Ų | 92 | 61.2 Ų | 61.2 | 49% | 0.492 | 33% | 0.331 | S | S | . | . | trans | -132.1 | 129.7 | 179.4 | -81.6 | -34.7 | 0 | 0 | 0 | 110.9 | D341 E342 | N339-D341 PolarHBondContact O-N 3.49Å; N339-E342 HydrophobicContact CB-CG 4.19Å; N339-E342 WeakPolarHBondContact O-CB 3.38Å; N339-E342 PolarHBondContact O-N 2.79Å; N339-E342 VanDerWaalsContact O-N 3.16Å | ||
| 340 | P | 64.3 | Low | 83.4 | Confident | 95 Ų | 95 | 63.8 Ų | 63.8 | 62% | 0.617 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -57.7 | -28.3 | 173.4 | -21.9 | 31.6 | 0 | 0 | 0 | 113.4 | E342 Q343 | P340-E342 PolarHBondContact O-N 3.31Å; P340-Q343 WeakPolarHBondContact O-CB 3.46Å; P340-Q343 WeakPolarHBondContact O-CG 3.47Å; P340-Q343 PolarHBondContact O-N 3.31Å |
| 341 | D | 65 | Low | 82.9 | Confident | 155 Ų | 155 | 65.2 Ų | 65.2 | 83% | 0.829 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -70.5 | -9.6 | -179.6 | -63.7 | -32.9 | 0 | 0 | 0 | 113.9 | N339 Q343 | N339-D341 PolarHBondContact O-N 3.49Å; D341-Q343 PolarHBondContact O-N 3.14Å |
| 342 | E | 68.5 | Low | 82.3 | Confident | 111 Ų | 111 | 69.8 Ų | 69.8 | 52% | 0.519 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -72.7 | -15.5 | 172.1 | -69.7 | 173.3 | -174.4 | 0 | 0 | 112 | N339 P340 | N339-E342 HydrophobicContact CB-CG 4.19Å; N339-E342 WeakPolarHBondContact O-CB 3.38Å; N339-E342 PolarHBondContact O-N 2.79Å; N339-E342 VanDerWaalsContact O-N 3.16Å; P340-E342 PolarHBondContact O-N 3.31Å |
| 343 | Q | 82.8 | Confident | 81.8 | Confident | 38 Ų | 38 | 74.1 Ų | 74.1 | 18% | 0.178 | 39% | 0.394 | C | S | . | . | trans | -76.6 | 128.8 | 178.3 | -58.4 | 176.4 | 20.6 | 0 | 0 | 110.8 | Y311 I312 L337 P340 D341 | Y311-Q343 WeakPolarHBondContact O-CA 3.48Å; I312-Q343 HydrophobicContact CD1-CB 4.39Å; I312-Q343 HydrophobicContact CD1-CG 3.83Å; L337-Q343 HydrophobicContact CD2-CG 4.24Å; P340-Q343 WeakPolarHBondContact O-CB 3.46Å; P340-Q343 WeakPolarHBondContact O-CG 3.47Å; P340-Q343 PolarHBondContact O-N 3.31Å; D341-Q343 PolarHBondContact O-N 3.14Å | ||
| 344 | S | 86.7 | Confident | 81.6 | Confident | 25 Ų | 25 | 74 Ų | 74 | 18% | 0.175 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 128.8 | 179.9 | -72.7 | 0 | 0 | 0 | 0 | 111 | R310 Y311 V346 Q359 | R310-S344 CarbonylContact C-O 3.54Å; R310-S344 VanDerWaalsContact CA-O 3.29Å; R310-S344 WeakPolarHBondContact CA-O 3Å; Y311-S344 PolarHBondContact N-O 3.31Å; Y311-S344 PolarHBondContact O-N 2.83Å; Y311-S344 VanDerWaalsContact O-N 3.11Å; S344-V346 PolarHBondContact O-N 3.28Å; S344-Q359 PolarHBondContact OG-NE2 3.48Å |
| 345 | P | 91.4 | Very high | 81.8 | Confident | 26 Ų | 26 | 72.1 Ų | 72.1 | 17% | 0.169 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 132.5 | 169.8 | 26.6 | -30.9 | 0 | 0 | 0 | 109.2 | W306 Y307 F309 L360 | W306-P345 HydrophobicContact CH2-CB 4.04Å; W306-P345 HydrophobicContact CH2-CG 3.66Å; W306-P345 HydrophobicContact CZ2-CG 4.43Å; W306-P345 HydrophobicContact CZ3-CB 4.37Å; W306-P345 HydrophobicContact CZ3-CG 4.28Å; Y307-P345 HydrophobicContact CD1-CB 3.67Å; Y307-P345 HydrophobicContact CD2-CB 4.02Å; Y307-P345 HydrophobicContact CE1-CB 4.24Å; Y307-P345 HydrophobicContact CG-CB 3.56Å; F309-P345 WeakPolarHBondContact O-CA 3.45Å; P345-L360 HydrophobicContact CB-CB 4.34Å; P345-L360 HydrophobicContact CG-CB 4.48Å; P345-L360 PolarHBondContact O-N 3.46Å |
| 346 | V | 93.3 | Very high | 82.1 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.006 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 155.6 | -174.8 | -64.5 | 0 | 0 | 0 | 0 | 112.3 | F309 S344 I348 V357 W358 L374 F415 | F309-V346 HydrophobicContact CB-CG2 3.85Å; F309-V346 PolarHBondContact O-N 3.14Å; S344-V346 PolarHBondContact O-N 3.28Å; V346-I348 HydrophobicContact CG2-CG1 4.27Å; V346-V357 HydrophobicContact CB-CG1 3.72Å; V346-V357 HydrophobicContact CG1-CG1 3.85Å; V346-V357 HydrophobicContact CG2-CG1 4.01Å; V346-W358 CarbonylContact C-O 3.53Å; V346-W358 WeakPolarHBondContact CA-O 3.39Å; V346-W358 WeakPolarHBondContact CB-O 3.25Å; V346-L374 HydrophobicContact CG1-CD2 3.95Å; V346-F415 HydrophobicContact CG2-CD1 4.13Å; V346-F415 HydrophobicContact CG2-CE1 4.38Å |
| 347 | H | 90.6 | Very high | 82.6 | Confident | 58 Ų | 58 | 64 Ų | 64 | 27% | 0.269 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.5 | 164.1 | 178.7 | 74.7 | 0 | 0 | 0 | 109 | V357 W358 L360 R369 | H347-V357 WeakPolarHBondContact O-CA 3.45Å; H347-W358 HydrophobicContact CB-CB 4.46Å; H347-W358 PolarHBondContact N-O 2.66Å; H347-W358 PolarHBondContact O-N 3.18Å; H347-L360 HydrophobicContact CB-CD1 4.28Å; H347-L360 HydrophobicContact CB-CD2 4Å; H347-L360 HydrophobicContact CB-CG 4.23Å; H347-R369 PolarHBondContact CD2-NH2 2.88Å; H347-R369 PolarHBondContact NE2-NH2 2.95Å |
| 348 | I | 92.5 | Very high | 83.1 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 5% | 0.051 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 122.2 | 178.2 | -56 | 179.7 | 0 | 0 | 0 | 108 | F309 V346 L350 V355 V357 F395 F415 I426 | F309-I348 HydrophobicContact CB-CD1 4.28Å; F309-I348 HydrophobicContact CD2-CB 4.25Å; F309-I348 HydrophobicContact CD2-CD1 4.14Å; F309-I348 HydrophobicContact CD2-CG1 4Å; F309-I348 HydrophobicContact CE2-CB 4.47Å; F309-I348 HydrophobicContact CG-CD1 4.08Å; F309-I348 HydrophobicContact CG-CG1 4.36Å; V346-I348 HydrophobicContact CG2-CG1 4.27Å; I348-L350 HydrophobicContact CG2-CD2 4.03Å; I348-V355 HydrophobicContact CG2-CG1 3.92Å; I348-V357 HydrophobicContact CG1-CG1 4.39Å; I348-V357 HydrophobicContact CG1-CG2 4.31Å; I348-F395 HydrophobicContact CD1-CE2 3.77Å; I348-F395 HydrophobicContact CD1-CZ 3.52Å; I348-F415 HydrophobicContact CD1-CD1 3.82Å; I348-F415 HydrophobicContact CD1-CE1 4.12Å; I348-F415 HydrophobicContact CD1-CG 4.09Å; I348-I426 HydrophobicContact CB-CD1 4.46Å; I348-I426 HydrophobicContact CG2-CD1 4.42Å |
| 349 | E | 88 | Confident | 83.9 | Confident | 85 Ų | 85 | 58.7 Ų | 58.7 | 40% | 0.397 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 117.3 | 178.1 | -170.7 | 172.5 | 161 | 0 | 0 | 109.3 | V355 T356 W358 R369 | E349-V355 WeakPolarHBondContact O-CA 3.49Å; E349-T356 PolarHBondContact N-O 3.3Å; E349-T356 PolarHBondContact O-N 2.87Å; E349-W358 PolarHBondContact OE2-NE1 2.84Å; E349-R369 IonicContact OE2-NH1 3.73Å; E349-R369 PolarHBondContact OE2-NH1 3.27Å |
| 350 | L | 87 | Confident | 84.8 | Confident | 57 Ų | 57 | 55.3 Ų | 55.3 | 30% | 0.298 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 95.1 | 175.8 | -54.8 | -176.9 | 0 | 0 | 0 | 108.4 | I348 V355 I426 L430 | I348-L350 HydrophobicContact CG2-CD2 4.03Å; L350-V355 HydrophobicContact CD2-CB 4.49Å; L350-V355 HydrophobicContact CD2-CG1 4.12Å; L350-V355 HydrophobicContact CD2-CG2 3.79Å; L350-I426 HydrophobicContact CD1-CD1 3.98Å; L350-I426 HydrophobicContact CG-CD1 4.22Å; L350-L430 HydrophobicContact CD2-CD2 4Å; L350-L430 HydrophobicContact CD2-CG 4.05Å |
| 351 | G | 79.3 | Confident | 85.7 | Confident | 30 Ų | 30 | 54.6 Ų | 54.6 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | trans | -85.4 | 179.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L353 G354 Y379 | G351-L353 VanDerWaalsContact C-N 3.35Å; G351-G354 WeakPolarHBondContact CA-O 3.4Å; G351-G354 PolarHBondContact N-O 2.75Å; G351-Y379 WeakPolarHBondContact O-CE2 3.35Å; G351-Y379 PolarHBondContact O-OH 2.85Å | ||
| 352 | E | 74.9 | Confident | 86.4 | Confident | 160 Ų | 160 | 53.2 Ų | 53.2 | 75% | 0.748 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -68.5 | -33.7 | 178.1 | -64.7 | -175.5 | 163.5 | 0 | 0 | 113.1 | ||
| 353 | L | 76.6 | Confident | 86.7 | Confident | 138 Ų | 138 | 54.3 Ų | 54.3 | 72% | 0.723 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -101 | -10.9 | -174.5 | -61.8 | 176.6 | 0 | 0 | 0 | 113.7 | G351 S378 Y379 | G351-L353 VanDerWaalsContact C-N 3.35Å; L353-S378 WeakPolarHBondContact O-CA 3.13Å; L353-Y379 VanDerWaalsContact C-CD2 3.49Å; L353-Y379 PolarHBondContact O-N 2.98Å; L353-Y379 VanDerWaalsContact O-N 3.11Å |
| 354 | G | 86.8 | Confident | 86.3 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.3 | -165.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G351 H377 | G351-G354 WeakPolarHBondContact CA-O 3.4Å; G351-G354 PolarHBondContact N-O 2.75Å; G354-H377 CarbonylContact C-O 3.54Å; G354-H377 VanDerWaalsContact CA-O 3.27Å; G354-H377 WeakPolarHBondContact CA-O 3.37Å |
| 355 | V | 92.1 | Very high | 85.5 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131 | -171.3 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | I348 E349 L350 V357 R376 H377 Y379 I382 Y397 L430 | I348-V355 HydrophobicContact CG2-CG1 3.92Å; E349-V355 WeakPolarHBondContact O-CA 3.49Å; L350-V355 HydrophobicContact CD2-CB 4.49Å; L350-V355 HydrophobicContact CD2-CG1 4.12Å; L350-V355 HydrophobicContact CD2-CG2 3.79Å; V355-V357 HydrophobicContact CG1-CG2 4.38Å; V355-R376 WeakPolarHBondContact O-CA 3.36Å; V355-H377 PolarHBondContact N-O 3.09Å; V355-H377 PolarHBondContact O-N 3.49Å; V355-Y379 HydrophobicContact CG2-CE1 4.04Å; V355-I382 HydrophobicContact CB-CD1 4.23Å; V355-I382 HydrophobicContact CG2-CD1 3.72Å; V355-Y397 HydrophobicContact CG1-CE1 4.38Å; V355-L430 HydrophobicContact CB-CD2 4.45Å; V355-L430 HydrophobicContact CG2-CD2 3.2Å |
| 356 | T | 92.8 | Very high | 84.5 | Confident | 26 Ų | 26 | 71.8 Ų | 71.8 | 16% | 0.16 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 128.7 | 174.1 | -50.1 | 0 | 0 | 0 | 0 | 109.5 | E349 W358 P373 L375 | E349-T356 PolarHBondContact N-O 3.3Å; E349-T356 PolarHBondContact O-N 2.87Å; T356-W358 HydrophobicContact CG2-CD2 4.44Å; T356-W358 HydrophobicContact CG2-CZ2 3.86Å; T356-P373 HydrophobicContact CG2-CB 3.47Å; T356-P373 VanDerWaalsContact CG2-CB 3.47Å; T356-P373 HydrophobicContact CG2-CG 4.28Å; T356-L375 WeakPolarHBondContact CA-O 3.29Å |
| 357 | V | 95 | Very high | 83.7 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 127.1 | 178.8 | -175.6 | 0 | 0 | 0 | 0 | 108.6 | V346 H347 I348 V355 P373 L374 L375 F415 | V346-V357 HydrophobicContact CB-CG1 3.72Å; V346-V357 HydrophobicContact CG1-CG1 3.85Å; V346-V357 HydrophobicContact CG2-CG1 4.01Å; H347-V357 WeakPolarHBondContact O-CA 3.45Å; I348-V357 HydrophobicContact CG1-CG1 4.39Å; I348-V357 HydrophobicContact CG1-CG2 4.31Å; V355-V357 HydrophobicContact CG1-CG2 4.38Å; V357-P373 CarbonylContact O-C 3.59Å; V357-L374 HydrophobicContact CG1-CD2 4.37Å; V357-L374 WeakPolarHBondContact O-CB 3.15Å; V357-L374 PolarHBondContact O-N 3.18Å; V357-L375 HydrophobicContact CB-CB 3.96Å; V357-L375 HydrophobicContact CB-CD1 4.39Å; V357-L375 HydrophobicContact CB-CG 4.43Å; V357-L375 HydrophobicContact CG2-CB 4.04Å; V357-L375 HydrophobicContact CG2-CD1 4.2Å; V357-L375 PolarHBondContact N-O 3.35Å; V357-L375 PolarHBondContact O-N 3.23Å; V357-F415 HydrophobicContact CG1-CE1 4Å; V357-F415 HydrophobicContact CG2-CE1 4.14Å; V357-F415 HydrophobicContact CG2-CZ 4.04Å |
| 358 | W | 92.6 | Very high | 83.3 | Confident | 53 Ų | 53 | 74.7 Ų | 74.7 | 20% | 0.201 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 134.9 | -179.4 | -59 | 88.8 | 0 | 0 | 0 | 110 | V346 H347 E349 T356 R369 P373 | V346-W358 CarbonylContact C-O 3.53Å; V346-W358 WeakPolarHBondContact CA-O 3.39Å; V346-W358 WeakPolarHBondContact CB-O 3.25Å; H347-W358 HydrophobicContact CB-CB 4.46Å; H347-W358 PolarHBondContact N-O 2.66Å; H347-W358 PolarHBondContact O-N 3.18Å; E349-W358 PolarHBondContact OE2-NE1 2.84Å; T356-W358 HydrophobicContact CG2-CD2 4.44Å; T356-W358 HydrophobicContact CG2-CZ2 3.86Å; W358-R369 HydrophobicContact CB-CB 4.24Å; W358-R369 HydrophobicContact CB-CG 4.21Å; W358-R369 HydrophobicContact CE3-CB 4.46Å; W358-P373 HydrophobicContact CD2-CB 4.29Å; W358-P373 HydrophobicContact CE3-CB 4.18Å; W358-P373 HydrophobicContact CH2-CB 4.29Å; W358-P373 HydrophobicContact CZ2-CB 4.4Å; W358-P373 HydrophobicContact CZ3-CB 4.19Å |
| 359 | Q | 92.1 | Very high | 82.9 | Confident | 62 Ų | 62 | 79.8 Ų | 79.8 | 29% | 0.29 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 135.4 | 172.5 | -165.1 | 176.9 | 19 | 0 | 0 | 109.5 | S344 R369 S370 | S344-Q359 PolarHBondContact OG-NE2 3.48Å; Q359-R369 CarbonylContact O-C 3.45Å; Q359-R369 WeakPolarHBondContact O-CA 3.38Å; Q359-S370 PolarHBondContact N-OG 2.69Å; Q359-S370 PolarHBondContact O-N 3.21Å |
| 360 | L | 88.4 | Confident | 82.8 | Confident | 20 Ų | 20 | 76.9 Ų | 76.9 | 11% | 0.105 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 135.9 | 176.6 | -65.1 | 175.8 | 0 | 0 | 0 | 110.2 | W306 P345 H347 V367 R369 | W306-L360 HydrophobicContact CZ3-CB 4.23Å; P345-L360 HydrophobicContact CB-CB 4.34Å; P345-L360 HydrophobicContact CG-CB 4.48Å; P345-L360 PolarHBondContact O-N 3.46Å; H347-L360 HydrophobicContact CB-CD1 4.28Å; H347-L360 HydrophobicContact CB-CD2 4Å; H347-L360 HydrophobicContact CB-CG 4.23Å; L360-V367 HydrophobicContact CB-CG1 4.33Å; L360-V367 HydrophobicContact CD1-CG1 4.42Å; L360-V367 HydrophobicContact CD2-CG1 4Å; L360-V367 HydrophobicContact CG-CG1 4.49Å; L360-R369 HydrophobicContact CD2-CG 3.99Å |
| 361 | Q | 83.8 | Confident | 82.6 | Confident | 80 Ų | 80 | 83.6 Ų | 83.6 | 37% | 0.374 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 138.6 | 171.9 | -64.1 | -173.3 | -1.5 | 0 | 0 | 109.4 | S368 | Q361-S368 PolarHBondContact N-O 2.91Å; Q361-S368 PolarHBondContact O-N 2.82Å |
| 362 | R | 78.5 | Confident | 83.1 | Confident | 127 Ų | 127 | 89.7 Ų | 89.7 | 48% | 0.479 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 109.1 | 172.5 | -172.1 | 173.2 | 175.4 | 166.8 | -0.9 | 108.7 | W306 N365 K366 | W306-R362 HydrophobicContact CE3-CB 4.46Å; W306-R362 HydrophobicContact CH2-CB 4.15Å; W306-R362 HydrophobicContact CZ3-CB 4.09Å; R362-N365 PolarHBondContact NH2-OD1 2.92Å; R362-K366 WeakPolarHBondContact CA-O 3.49Å |
| 363 | K | 75.7 | Confident | 83.8 | Confident | 133 Ų | 133 | 84.5 Ų | 84.5 | 58% | 0.578 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130.8 | 171.8 | -70.6 | -177.7 | -178.2 | 172.8 | 0 | 108.4 | N365 K366 | K363-N365 VanDerWaalsContact C-N 3.31Å; K363-N365 PolarHBondContact O-N 3.06Å; K363-K366 PolarHBondContact N-O 2.89Å; K363-K366 VanDerWaalsContact N-O 3.07Å; K363-K366 PolarHBondContact O-N 2.81Å; K363-K366 VanDerWaalsContact O-O 3.05Å |
| 364 | D | 73.8 | Confident | 84.6 | Confident | 162 Ų | 162 | 81 Ų | 81 | 87% | 0.866 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 45.1 | 176.8 | -54.8 | -37.3 | 0 | 0 | 0 | 114.5 | K366 | D364-K366 PolarHBondContact O-N 3.49Š|
| 365 | N | 70.3 | Confident | 85 | Confident | 130 Ų | 130 | 81.5 Ų | 81.5 | 70% | 0.695 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 9.9 | -176 | -82.6 | -17.9 | 0 | 0 | 0 | 116.1 | R362 K363 | R362-N365 PolarHBondContact NH2-OD1 2.92Å; K363-N365 VanDerWaalsContact C-N 3.31Å; K363-N365 PolarHBondContact O-N 3.06Å |
| 366 | K | 69.6 | Low | 85.1 | Confident | 165 Ų | 165 | 90.7 Ų | 90.7 | 72% | 0.717 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 136.6 | 168.5 | -68.7 | -175.8 | 179.6 | -180 | 0 | 109.9 | R362 K363 D364 | R362-K366 WeakPolarHBondContact CA-O 3.49Å; K363-K366 PolarHBondContact N-O 2.89Å; K363-K366 VanDerWaalsContact N-O 3.07Å; K363-K366 PolarHBondContact O-N 2.81Å; K363-K366 VanDerWaalsContact O-O 3.05Å; D364-K366 PolarHBondContact O-N 3.49Å |
| 367 | V | 76.9 | Confident | 85.1 | Confident | 66 Ų | 66 | 90.3 Ų | 90.3 | 40% | 0.4 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 121.1 | 174.1 | -177.4 | 0 | 0 | 0 | 0 | 107.4 | W306 L360 | W306-V367 HydrophobicContact CB-CG2 4.21Å; W306-V367 HydrophobicContact CD2-CG2 4.39Å; W306-V367 HydrophobicContact CE3-CG1 4.05Å; W306-V367 HydrophobicContact CE3-CG2 3.67Å; W306-V367 HydrophobicContact CZ3-CG1 4.31Å; W306-V367 HydrophobicContact CZ3-CG2 4.47Å; L360-V367 HydrophobicContact CB-CG1 4.33Å; L360-V367 HydrophobicContact CD1-CG1 4.42Å; L360-V367 HydrophobicContact CD2-CG1 4Å; L360-V367 HydrophobicContact CG-CG1 4.49Å |
| 368 | S | 82.4 | Confident | 84.9 | Confident | 54 Ų | 54 | 92.4 Ų | 92.4 | 38% | 0.378 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 148.8 | 176.7 | 56.9 | 0 | 0 | 0 | 0 | 110.5 | Q361 | Q361-S368 PolarHBondContact N-O 2.91Å; Q361-S368 PolarHBondContact O-N 2.82Å |
| 369 | R | 83.9 | Confident | 84.6 | Confident | 117 Ų | 117 | 90.1 Ų | 90.1 | 44% | 0.442 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 153.6 | 170.3 | -60.6 | -179.5 | -171.8 | -171.5 | 1.8 | 109.9 | H347 E349 W358 Q359 L360 | H347-R369 PolarHBondContact CD2-NH2 2.88Å; H347-R369 PolarHBondContact NE2-NH2 2.95Å; E349-R369 IonicContact OE2-NH1 3.73Å; E349-R369 PolarHBondContact OE2-NH1 3.27Å; W358-R369 HydrophobicContact CB-CB 4.24Å; W358-R369 HydrophobicContact CB-CG 4.21Å; W358-R369 HydrophobicContact CE3-CB 4.46Å; Q359-R369 CarbonylContact O-C 3.45Å; Q359-R369 WeakPolarHBondContact O-CA 3.38Å; L360-R369 HydrophobicContact CD2-CG 3.99Å |
| 370 | S | 85.4 | Confident | 84.2 | Confident | 24 Ų | 24 | 89.3 Ų | 89.3 | 17% | 0.168 | 43% | 0.432 | C | S | . | . | trans | -58.3 | 154 | 165.4 | 52.7 | 0 | 0 | 0 | 0 | 111.2 | Q359 E372 | Q359-S370 PolarHBondContact N-OG 2.69Å; Q359-S370 PolarHBondContact O-N 3.21Å; S370-E372 VanDerWaalsContact C-N 3.31Å; S370-E372 WeakPolarHBondContact CB-O 3.45Å; S370-E372 PolarHBondContact OG-O 2.88Å | ||
| 371 | E | 84.1 | Confident | 84.3 | Confident | 197 Ų | 197 | 90.5 Ų | 90.5 | 92% | 0.921 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -66.2 | -36.3 | 176.8 | -67.5 | -176.8 | 174.3 | 0 | 0 | 111.8 | ||
| 372 | E | 88.7 | Confident | 84.6 | Confident | 159 Ų | 159 | 86.9 Ų | 86.9 | 74% | 0.743 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -110 | 145.2 | 176 | -65.2 | -171.7 | 167.9 | 0 | 0 | 111.2 | S370 | S370-E372 VanDerWaalsContact C-N 3.31Å; S370-E372 WeakPolarHBondContact CB-O 3.45Å; S370-E372 PolarHBondContact OG-O 2.88Å |
| 373 | P | 91.5 | Very high | 85.1 | Confident | 50 Ų | 50 | 82.8 Ų | 82.8 | 33% | 0.325 | 41% | 0.411 | S | S | . | . | trans | -68.8 | 140.3 | 176.2 | 29.6 | -34.2 | 0 | 0 | 0 | 110.6 | T356 V357 W358 | T356-P373 HydrophobicContact CG2-CB 3.47Å; T356-P373 VanDerWaalsContact CG2-CB 3.47Å; T356-P373 HydrophobicContact CG2-CG 4.28Å; V357-P373 CarbonylContact O-C 3.59Å; W358-P373 HydrophobicContact CD2-CB 4.29Å; W358-P373 HydrophobicContact CE3-CB 4.18Å; W358-P373 HydrophobicContact CH2-CB 4.29Å; W358-P373 HydrophobicContact CZ2-CB 4.4Å; W358-P373 HydrophobicContact CZ3-CB 4.19Å | ||
| 374 | L | 92.6 | Very high | 85.8 | Confident | 65 Ų | 65 | 76.9 Ų | 76.9 | 34% | 0.34 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -66.7 | -42.1 | 174.6 | -177.5 | 67.1 | 0 | 0 | 0 | 111.2 | Y311 V346 V357 | Y311-L374 HydrophobicContact CD1-CD2 3.79Å; Y311-L374 HydrophobicContact CE1-CD2 4.38Å; Y311-L374 HydrophobicContact CG-CD2 4.07Å; V346-L374 HydrophobicContact CG1-CD2 3.95Å; V357-L374 HydrophobicContact CG1-CD2 4.37Å; V357-L374 WeakPolarHBondContact O-CB 3.15Å; V357-L374 PolarHBondContact O-N 3.18Å |
| 375 | L | 95.3 | Very high | 86.6 | Confident | 20 Ų | 20 | 69.8 Ų | 69.8 | 11% | 0.105 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 146.1 | 178.2 | -56.3 | 168.2 | 0 | 0 | 0 | 109.6 | Y311 T356 V357 Y413 F415 | Y311-L375 HydrophobicContact CD2-CD1 4.43Å; Y311-L375 HydrophobicContact CE2-CD1 4.06Å; T356-L375 WeakPolarHBondContact CA-O 3.29Å; V357-L375 HydrophobicContact CB-CB 3.96Å; V357-L375 HydrophobicContact CB-CD1 4.39Å; V357-L375 HydrophobicContact CB-CG 4.43Å; V357-L375 HydrophobicContact CG2-CB 4.04Å; V357-L375 HydrophobicContact CG2-CD1 4.2Å; V357-L375 PolarHBondContact N-O 3.35Å; V357-L375 PolarHBondContact O-N 3.23Å; L375-Y413 HydrophobicContact CD1-CD1 3.54Å; L375-Y413 HydrophobicContact CD1-CE1 4.1Å; L375-Y413 HydrophobicContact CD1-CG 4.1Å; L375-Y413 HydrophobicContact CD2-CD1 3.88Å; L375-Y413 HydrophobicContact CD2-CE1 3.55Å; L375-Y413 HydrophobicContact CG-CD1 4.37Å; L375-Y413 HydrophobicContact CG-CE1 4.47Å; L375-F415 HydrophobicContact CD1-CE1 4.49Å; L375-F415 HydrophobicContact CD1-CZ 3.92Å |
| 376 | R | 93.5 | Very high | 87.5 | Confident | 194 Ų | 194 | 64.1 Ų | 64.1 | 73% | 0.732 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 115.8 | 173.4 | -172.5 | 176 | 178 | -175.7 | -0.9 | 109.9 | V355 | V355-R376 WeakPolarHBondContact O-CA 3.36Å |
| 377 | H | 94.2 | Very high | 88.3 | Confident | 19 Ų | 19 | 58 Ų | 58 | 9% | 0.088 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 133.5 | -179.8 | -58.4 | 117.3 | 0 | 0 | 0 | 110 | G354 V355 I382 Y397 A399 Y413 | G354-H377 CarbonylContact C-O 3.54Å; G354-H377 VanDerWaalsContact CA-O 3.27Å; G354-H377 WeakPolarHBondContact CA-O 3.37Å; V355-H377 PolarHBondContact N-O 3.09Å; V355-H377 PolarHBondContact O-N 3.49Å; H377-I382 HydrophobicContact CB-CD1 4.09Å; H377-I382 HydrophobicContact CB-CG1 3.89Å; H377-Y397 AromaticContact ND1-CE2 3.34Å; H377-Y397 VanDerWaalsContact ND1-CE2 3.34Å; H377-Y397 WeakPolarHBondContact ND1-CE2 3.17Å; H377-Y397 AromaticContact ND1-CZ 3.59Å; H377-Y397 PolarHBondContact ND1-OH 3.46Å; H377-A399 HydrophobicContact CB-CB 4.3Å; H377-Y413 AromaticContact CE1-CD2 3.87Å; H377-Y413 AromaticContact CE1-CE1 3.98Å; H377-Y413 AromaticContact CE1-CE2 3.35Å; H377-Y413 WeakPolarHBondContact CE1-CE2 3.47Å; H377-Y413 AromaticContact CE1-CZ 3.4Å; H377-Y413 VanDerWaalsContact CE1-CZ 3.4Å; H377-Y413 AromaticContact NE2-CE2 3.77Å; H377-Y413 AromaticContact NE2-CZ 3.66Å; H377-Y413 PolarHBondContact NE2-OH 3.5Å |
| 378 | S | 89.1 | Confident | 88.4 | Confident | 43 Ų | 43 | 56.5 Ų | 56.5 | 30% | 0.301 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 153 | 169.6 | 65.2 | 0 | 0 | 0 | 0 | 110.6 | L353 P380 Q381 I382 | L353-S378 WeakPolarHBondContact O-CA 3.13Å; S378-P380 VanDerWaalsContact C-CD 3.48Å; S378-P380 VanDerWaalsContact C-N 3.31Å; S378-Q381 WeakPolarHBondContact O-CB 3.36Å; S378-Q381 PolarHBondContact O-N 3.02Å; S378-Q381 WeakPolarHBondContact OG-CG 3.38Å; S378-Q381 PolarHBondContact OG-OE1 3.3Å; S378-I382 PolarHBondContact O-N 3.27Å |
| 379 | Y | 87.5 | Confident | 87.7 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 2% | 0.024 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -56.8 | -38 | 177.8 | -71.6 | -63.6 | 0 | 0 | 0 | 113.9 | G351 L353 V355 Q381 I382 L430 G433 F434 T437 | G351-Y379 WeakPolarHBondContact O-CE2 3.35Å; G351-Y379 PolarHBondContact O-OH 2.85Å; L353-Y379 VanDerWaalsContact C-CD2 3.49Å; L353-Y379 PolarHBondContact O-N 2.98Å; L353-Y379 VanDerWaalsContact O-N 3.11Å; V355-Y379 HydrophobicContact CG2-CE1 4.04Å; Y379-Q381 PolarHBondContact O-N 3Å; Y379-Q381 VanDerWaalsContact O-N 3.15Å; Y379-I382 HydrophobicContact CD1-CD1 4.28Å; Y379-I382 PolarHBondContact O-N 3.36Å; Y379-L430 HydrophobicContact CE1-CD2 4.35Å; Y379-G433 VanDerWaalsContact CZ-CA 3.44Å; Y379-F434 HydrophobicContact CD1-CD1 4.23Å; Y379-F434 HydrophobicContact CD1-CE1 4.36Å; Y379-T437 VanDerWaalsContact CB-OG1 3.3Å; Y379-T437 WeakPolarHBondContact CB-OG1 3.21Å; Y379-T437 HydrophobicContact CD2-CG2 3.98Å; Y379-T437 HydrophobicContact CG-CG2 4.34Å |
| 380 | P | 84.1 | Confident | 87.1 | Confident | 44 Ų | 44 | 54.8 Ų | 54.8 | 29% | 0.286 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -62.7 | -17.4 | 173.7 | -26.2 | 36.6 | 0 | 0 | 0 | 115.1 | S378 S403 C404 L441 | S378-P380 VanDerWaalsContact C-CD 3.48Å; S378-P380 VanDerWaalsContact C-N 3.31Å; P380-S403 CarbonylContact O-C 3.51Å; P380-S403 VanDerWaalsContact O-CA 3.28Å; P380-S403 WeakPolarHBondContact O-CA 3.32Å; P380-C404 PolarHBondContact O-N 2.85Å; P380-C404 PolarHBondContact O-SG 2.89Å; P380-L441 HydrophobicContact CB-CD1 4.47Å; P380-L441 HydrophobicContact CG-CD1 4.34Å |
| 381 | Q | 89 | Confident | 86.5 | Confident | 45 Ų | 45 | 54.5 Ų | 54.5 | 21% | 0.21 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -86.1 | -25.7 | 172.9 | -66.4 | 171.1 | -73.4 | 0 | 0 | 112 | S378 Y379 A399 G400 E401 E402 C404 | S378-Q381 WeakPolarHBondContact O-CB 3.36Å; S378-Q381 PolarHBondContact O-N 3.02Å; S378-Q381 WeakPolarHBondContact OG-CG 3.38Å; S378-Q381 PolarHBondContact OG-OE1 3.3Å; Y379-Q381 PolarHBondContact O-N 3Å; Y379-Q381 VanDerWaalsContact O-N 3.15Å; Q381-A399 CarbonylContact O-C 3.57Å; Q381-A399 VanDerWaalsContact O-CA 3.28Å; Q381-A399 WeakPolarHBondContact O-CA 3.45Å; Q381-G400 PolarHBondContact O-N 2.84Å; Q381-E401 PolarHBondContact NE2-O 3.06Å; Q381-E402 WeakPolarHBondContact CG-O 3.29Å; Q381-C404 VanDerWaalsContact C-SG 3.53Å; Q381-C404 PolarHBondContact O-SG 3.36Å; Q381-C404 VanDerWaalsContact O-SG 3.37Å |
| 382 | I | 91.7 | Very high | 86.2 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 117.1 | -176.3 | -58.5 | 170.1 | 0 | 0 | 0 | 108.9 | V355 H377 S378 Y379 Y397 I398 A399 C404 L430 F434 | V355-I382 HydrophobicContact CB-CD1 4.23Å; V355-I382 HydrophobicContact CG2-CD1 3.72Å; H377-I382 HydrophobicContact CB-CD1 4.09Å; H377-I382 HydrophobicContact CB-CG1 3.89Å; S378-I382 PolarHBondContact O-N 3.27Å; Y379-I382 HydrophobicContact CD1-CD1 4.28Å; Y379-I382 PolarHBondContact O-N 3.36Å; I382-Y397 HydrophobicContact CD1-CD2 4.28Å; I382-Y397 HydrophobicContact CD1-CE2 4.43Å; I382-Y397 HydrophobicContact CG1-CD2 4.13Å; I382-Y397 HydrophobicContact CG1-CE2 4.38Å; I382-Y397 HydrophobicContact CG2-CD2 4.05Å; I382-Y397 HydrophobicContact CG2-CG 4.41Å; I382-I398 CarbonylContact C-O 3.53Å; I382-I398 VanDerWaalsContact CA-O 3.31Å; I382-I398 WeakPolarHBondContact CA-O 3.39Å; I382-I398 WeakPolarHBondContact CG2-O 3.38Å; I382-A399 HydrophobicContact CG1-CB 4.16Å; I382-C404 VanDerWaalsContact C-SG 3.54Å; I382-L430 HydrophobicContact CD1-CD2 4.35Å; I382-F434 HydrophobicContact CB-CE1 3.74Å; I382-F434 HydrophobicContact CB-CZ 4.33Å; I382-F434 HydrophobicContact CG2-CE1 3.46Å; I382-F434 VanDerWaalsContact CG2-CE1 3.46Å; I382-F434 HydrophobicContact CG2-CZ 3.53Å; I382-F434 WeakPolarHBondContact O-CE1 3.35Å |
| 383 | S | 88.6 | Confident | 86.1 | Confident | 40 Ų | 40 | 40.8 Ų | 40.8 | 28% | 0.28 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -29.8 | -173.6 | 60 | 0 | 0 | 0 | 0 | 113.8 | G321 I398 C404 | G321-S383 VanDerWaalsContact CA-OG 3.23Å; G321-S383 WeakPolarHBondContact CA-OG 3.44Å; G321-S383 WeakPolarHBondContact O-CB 3.44Å; G321-S383 PolarHBondContact O-OG 3.43Å; S383-I398 PolarHBondContact N-O 3.14Å; S383-I398 WeakPolarHBondContact OG-CG2 3.48Å; S383-I398 PolarHBondContact OG-O 3.06Å; S383-C404 WeakPolarHBondContact CA-SG 3.44Å |
| 384 | S | 89.4 | Confident | 86.1 | Confident | 9 Ų | 9 | 41.2 Ų | 41.2 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 159.4 | 177.5 | 59.4 | 0 | 0 | 0 | 0 | 111.3 | G321 Y397 I398 | G321-S384 WeakPolarHBondContact O-CB 3.22Å; G321-S384 PolarHBondContact O-OG 3.11Å; S384-Y397 CarbonylContact O-C 3.59Å; S384-Y397 VanDerWaalsContact O-CA 3.29Å; S384-Y397 WeakPolarHBondContact O-CA 3.33Å; S384-I398 PolarHBondContact O-N 2.85Å; S384-I398 WeakPolarHBondContact OG-CD1 3.48Å |
| 385 | C | 91.3 | Very high | 86.1 | Confident | 14 Ų | 14 | 38.1 Ų | 38.1 | 10% | 0.095 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 156.1 | 169.4 | 65 | 0 | 0 | 0 | 0 | 110.2 | A396 I427 L430 F434 | C385-A396 CarbonylContact C-O 3.51Å; C385-A396 VanDerWaalsContact CA-O 3.29Å; C385-A396 WeakPolarHBondContact CA-O 3.33Å; C385-I427 HydrophobicContact CB-CD1 3.89Å; C385-L430 HydrophobicContact CB-CB 4.32Å; C385-L430 HydrophobicContact CB-CD1 4.05Å; C385-F434 HydrophobicContact CB-CZ 4.46Å |
| 386 | G | 88.9 | Confident | 86.1 | Confident | 11 Ų | 11 | 37.1 Ų | 37.1 | 11% | 0.113 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.6 | -175.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | F395 A396 I427 | G386-F395 WeakPolarHBondContact O-CA 3.31Å; G386-A396 PolarHBondContact N-O 2.85Å; G386-A396 PolarHBondContact O-N 2.65Å; G386-I427 WeakPolarHBondContact O-CD1 3.35Å |
| 387 | R | 86.9 | Confident | 86.2 | Confident | 35 Ų | 35 | 28 Ų | 28 | 13% | 0.132 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 164 | 178.5 | -82.9 | 168.9 | -56.3 | 152 | 6.9 | 110.4 | E216 Y394 F395 R424 I427 | E216-R387 IonicContact OE1-CZ 3.94Å; E216-R387 IonicContact OE1-NH1 3.81Å; E216-R387 PolarHBondContact OE1-NH1 3.19Å; E216-R387 IonicContact OE1-NH2 2.8Å; E216-R387 PolarHBondContact OE1-NH2 2.78Å; R387-Y394 WeakPolarHBondContact CA-O 3.35Å; R387-F395 HydrophobicContact CG-CB 3.39Å; R387-R424 VanDerWaalsContact NH1-CA 3.25Å; R387-I427 HydrophobicContact CG-CG1 3.93Å |
| 388 | R | 78.6 | Confident | 86.2 | Confident | 35 Ų | 35 | 27 Ų | 27 | 13% | 0.132 | 15% | 0.153 | C | C | . | . | trans | -72.7 | 144.1 | 162.3 | -72.5 | -175.4 | 70.2 | 128.3 | 3.8 | 110.5 | I330 D390 T392 Y394 | I330-R388 HydrophobicContact CB-CG 4.02Å; I330-R388 HydrophobicContact CD1-CG 3.84Å; I330-R388 VanDerWaalsContact CG2-CD 3.43Å; I330-R388 HydrophobicContact CG2-CG 3.76Å; R388-D390 IonicContact CZ-OD1 2.62Å; R388-D390 VanDerWaalsContact CZ-OD1 3.3Å; R388-D390 IonicContact CZ-OD2 3.8Å; R388-D390 IonicContact NE-OD1 2.78Å; R388-D390 PolarHBondContact NE-OD1 3.09Å; R388-D390 IonicContact NE-OD2 3.78Å; R388-D390 VanDerWaalsContact NH2-CG 3.29Å; R388-D390 IonicContact NH2-OD1 3.57Å; R388-D390 PolarHBondContact NH2-OD1 3.11Å; R388-D390 IonicContact NH2-OD2 3.21Å; R388-D390 PolarHBondContact NH2-OD2 3.49Å; R388-T392 WeakPolarHBondContact O-CA 3.35Å; R388-Y394 PolarHBondContact N-O 3.03Å; R388-Y394 VanDerWaalsContact N-O 3.09Å | ||
| 389 | T | 67.8 | Low | 86.4 | Confident | 25 Ų | 25 | 25 Ų | 25 | 15% | 0.153 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -75 | -42.3 | 172.9 | 45.5 | 0 | 0 | 0 | 0 | 111.8 | P209 E215 G391 | P209-T389 WeakPolarHBondContact O-CB 3.4Å; P209-T389 PolarHBondContact O-OG1 3.23Å; E215-T389 HydrophobicContact CG-CG2 3.59Å; T389-G391 VanDerWaalsContact C-N 3.33Å; T389-G391 PolarHBondContact O-N 3.19Å |
| 390 | D | 72.1 | Confident | 86.6 | Confident | 110 Ų | 110 | 24.9 Ų | 24.9 | 59% | 0.588 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -85.8 | -0.2 | -178.5 | 66.1 | -18.3 | 0 | 0 | 0 | 114.3 | R388 | R388-D390 IonicContact CZ-OD1 2.62Å; R388-D390 VanDerWaalsContact CZ-OD1 3.3Å; R388-D390 IonicContact CZ-OD2 3.8Å; R388-D390 IonicContact NE-OD1 2.78Å; R388-D390 PolarHBondContact NE-OD1 3.09Å; R388-D390 IonicContact NE-OD2 3.78Å; R388-D390 VanDerWaalsContact NH2-CG 3.29Å; R388-D390 IonicContact NH2-OD1 3.57Å; R388-D390 PolarHBondContact NH2-OD1 3.11Å; R388-D390 IonicContact NH2-OD2 3.21Å; R388-D390 PolarHBondContact NH2-OD2 3.49Å |
| 391 | G | 72.8 | Confident | 86.9 | Confident | 19 Ų | 19 | 28 Ų | 28 | 20% | 0.196 | 15% | 0.15 | C | C | . | . | trans | -160.6 | 65.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | T389 N393 Y394 | T389-G391 VanDerWaalsContact C-N 3.33Å; T389-G391 PolarHBondContact O-N 3.19Å; G391-N393 PolarHBondContact O-N 3.25Å; G391-Y394 PolarHBondContact O-N 2.73Å | ||
| 392 | T | 77.2 | Confident | 86.7 | Confident | 22 Ų | 22 | 31 Ų | 31 | 14% | 0.135 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -8.6 | -169.3 | 53.3 | 0 | 0 | 0 | 0 | 115.8 | R388 Y394 K420 A423 | R388-T392 WeakPolarHBondContact O-CA 3.35Å; T392-Y394 VanDerWaalsContact C-N 3.32Å; T392-K420 WeakPolarHBondContact OG1-CD 3.23Å; T392-K420 WeakPolarHBondContact OG1-CE 3.34Å; T392-K420 WeakPolarHBondContact OG1-CG 3.38Å; T392-A423 WeakPolarHBondContact O-CB 3.27Å |
| 393 | N | 86.5 | Confident | 86.3 | Confident | 45 Ų | 45 | 32.5 Ų | 32.5 | 24% | 0.241 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -31 | 168.3 | -68.9 | -8.5 | 0 | 0 | 0 | 112.3 | G391 E416 S417 K420 | G391-N393 PolarHBondContact O-N 3.25Å; N393-E416 HydrophobicContact CB-CG 4.46Å; N393-E416 CarbonylContact O-C 3.52Å; N393-E416 WeakPolarHBondContact O-CA 3.28Å; N393-S417 WeakPolarHBondContact CB-O 3.41Å; N393-S417 PolarHBondContact O-N 3.25Å; N393-K420 WeakPolarHBondContact OD1-CG 3.41Å |
| 394 | Y | 91 | Very high | 85.8 | Confident | 59 Ų | 59 | 32.9 Ų | 32.9 | 23% | 0.231 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 124 | -179.7 | -59.3 | -72.1 | 0 | 0 | 0 | 110.6 | I330 L334 R387 R388 G391 T392 F415 E416 | I330-Y394 HydrophobicContact CG2-CG 4.45Å; L334-Y394 HydrophobicContact CD1-CD1 4.39Å; L334-Y394 HydrophobicContact CD1-CD2 4.2Å; L334-Y394 HydrophobicContact CD1-CE2 4.32Å; L334-Y394 HydrophobicContact CD1-CG 4.24Å; L334-Y394 HydrophobicContact CD2-CD1 4.12Å; L334-Y394 HydrophobicContact CD2-CE1 3.82Å; R387-Y394 WeakPolarHBondContact CA-O 3.35Å; R388-Y394 PolarHBondContact N-O 3.03Å; R388-Y394 VanDerWaalsContact N-O 3.09Å; G391-Y394 PolarHBondContact O-N 2.73Å; T392-Y394 VanDerWaalsContact C-N 3.32Å; Y394-F415 WeakPolarHBondContact CA-O 3.32Å; Y394-E416 HydrophobicContact CD1-CB 3.77Å; Y394-E416 HydrophobicContact CD1-CG 3.97Å; Y394-E416 HydrophobicContact CE1-CB 3.66Å; Y394-E416 VanDerWaalsContact CE1-CD 3.5Å; Y394-E416 HydrophobicContact CE1-CG 3.56Å; Y394-E416 WeakPolarHBondContact CE1-OE1 3.37Å; Y394-E416 VanDerWaalsContact CZ-OE1 3.25Å; Y394-E416 PolarHBondContact OH-OE1 2.96Å |
| 395 | F | 93.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 157.8 | 178.7 | 69.7 | -85.8 | 0 | 0 | 0 | 110.5 | F309 I348 G386 R387 F415 A423 I426 I427 | F309-F395 AromaticContact CD1-CE1 3.77Å; F309-F395 HydrophobicContact CD1-CE1 3.77Å; F309-F395 AromaticContact CD1-CZ 3.84Å; F309-F395 HydrophobicContact CD1-CZ 3.84Å; F309-F395 HydrophobicContact CE1-CE1 4.21Å; F309-F395 HydrophobicContact CE1-CZ 4.26Å; F309-F395 HydrophobicContact CG-CZ 4.4Å; I348-F395 HydrophobicContact CD1-CE2 3.77Å; I348-F395 HydrophobicContact CD1-CZ 3.52Å; G386-F395 WeakPolarHBondContact O-CA 3.31Å; R387-F395 HydrophobicContact CG-CB 3.39Å; F395-F415 HydrophobicContact CD1-CB 4.01Å; F395-F415 HydrophobicContact CD2-CB 4.08Å; F395-F415 HydrophobicContact CD2-CD2 4.21Å; F395-F415 HydrophobicContact CD2-CG 4.5Å; F395-F415 HydrophobicContact CE1-CB 3.53Å; F395-F415 HydrophobicContact CE2-CB 3.6Å; F395-F415 AromaticContact CE2-CD2 3.82Å; F395-F415 HydrophobicContact CE2-CD2 3.82Å; F395-F415 AromaticContact CE2-CG 3.85Å; F395-F415 HydrophobicContact CE2-CG 3.85Å; F395-F415 HydrophobicContact CG-CB 4.26Å; F395-F415 HydrophobicContact CZ-CB 3.31Å; F395-F415 HydrophobicContact CZ-CD2 4.36Å; F395-F415 AromaticContact CZ-CG 3.91Å; F395-F415 HydrophobicContact CZ-CG 3.91Å; F395-F415 PolarHBondContact N-O 2.74Å; F395-F415 PolarHBondContact O-N 2.92Å; F395-F415 VanDerWaalsContact O-O 3.14Å; F395-A423 HydrophobicContact CD1-CB 3.98Å; F395-I426 HydrophobicContact CD2-CG2 4.15Å; F395-I426 HydrophobicContact CE2-CB 4.44Å; F395-I426 HydrophobicContact CE2-CG2 3.58Å; F395-I426 HydrophobicContact CZ-CG2 4.1Å; F395-I427 HydrophobicContact CB-CD1 4.03Å; F395-I427 HydrophobicContact CB-CG1 3.98Å; F395-I427 HydrophobicContact CD2-CD1 4.24Å; F395-I427 HydrophobicContact CD2-CG1 4.44Å; F395-I427 HydrophobicContact CG-CG1 4.48Å |
| 396 | A | 95.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 160.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | I326 I330 C385 G386 Y413 V414 | I326-A396 HydrophobicContact CD1-CB 4.23Å; I326-A396 HydrophobicContact CG2-CB 4.4Å; I330-A396 HydrophobicContact CD1-CB 3.87Å; I330-A396 HydrophobicContact CG1-CB 3.74Å; C385-A396 CarbonylContact C-O 3.51Å; C385-A396 VanDerWaalsContact CA-O 3.29Å; C385-A396 WeakPolarHBondContact CA-O 3.33Å; G386-A396 PolarHBondContact N-O 2.85Å; G386-A396 PolarHBondContact O-N 2.65Å; A396-Y413 WeakPolarHBondContact CA-O 3.31Å; A396-Y413 WeakPolarHBondContact CB-O 3.36Å; A396-V414 HydrophobicContact CB-CG2 4.09Å |
| 397 | Y | 95.4 | Very high | 84.4 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 150.6 | 164.3 | 68.4 | -96.8 | 0 | 0 | 0 | 109.9 | V355 H377 I382 S384 A399 Y413 F415 L430 | V355-Y397 HydrophobicContact CG1-CE1 4.38Å; H377-Y397 AromaticContact ND1-CE2 3.34Å; H377-Y397 VanDerWaalsContact ND1-CE2 3.34Å; H377-Y397 WeakPolarHBondContact ND1-CE2 3.17Å; H377-Y397 AromaticContact ND1-CZ 3.59Å; H377-Y397 PolarHBondContact ND1-OH 3.46Å; I382-Y397 HydrophobicContact CD1-CD2 4.28Å; I382-Y397 HydrophobicContact CD1-CE2 4.43Å; I382-Y397 HydrophobicContact CG1-CD2 4.13Å; I382-Y397 HydrophobicContact CG1-CE2 4.38Å; I382-Y397 HydrophobicContact CG2-CD2 4.05Å; I382-Y397 HydrophobicContact CG2-CG 4.41Å; S384-Y397 CarbonylContact O-C 3.59Å; S384-Y397 VanDerWaalsContact O-CA 3.29Å; S384-Y397 WeakPolarHBondContact O-CA 3.33Å; Y397-A399 HydrophobicContact CD2-CB 4.35Å; Y397-A399 HydrophobicContact CE2-CB 4.2Å; Y397-Y413 HydrophobicContact CD2-CD2 4.19Å; Y397-Y413 AromaticContact CE2-CD2 3.64Å; Y397-Y413 HydrophobicContact CE2-CD2 3.64Å; Y397-Y413 HydrophobicContact CE2-CE2 4.36Å; Y397-Y413 HydrophobicContact CE2-CG 4.24Å; Y397-Y413 PolarHBondContact N-O 3.25Å; Y397-Y413 PolarHBondContact O-N 2.71Å; Y397-F415 AromaticContact CD1-CE2 3.85Å; Y397-F415 HydrophobicContact CD1-CE2 3.85Å; Y397-F415 HydrophobicContact CE1-CD2 4.45Å; Y397-F415 AromaticContact CE1-CE2 3.41Å; Y397-F415 HydrophobicContact CE1-CE2 3.41Å; Y397-F415 VanDerWaalsContact CE1-CE2 3.41Å; Y397-F415 AromaticContact CE1-CZ 3.83Å; Y397-F415 HydrophobicContact CE1-CZ 3.83Å; Y397-L430 HydrophobicContact CD1-CD1 4.31Å |
| 398 | I | 94.4 | Very high | 84.4 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 128.5 | 177.9 | -59.8 | 176.3 | 0 | 0 | 0 | 107.9 | V317 F325 I326 I382 S383 S384 F410 T411 C412 | V317-I398 HydrophobicContact CG1-CD1 4.45Å; V317-I398 HydrophobicContact CG2-CD1 4.2Å; V317-I398 HydrophobicContact CG2-CG1 4.42Å; V317-I398 HydrophobicContact CG2-CG2 4.35Å; F325-I398 HydrophobicContact CB-CD1 3.82Å; I326-I398 HydrophobicContact CD1-CD1 3.92Å; I326-I398 HydrophobicContact CD1-CG1 3.71Å; I326-I398 HydrophobicContact CG1-CD1 4.29Å; I382-I398 CarbonylContact C-O 3.53Å; I382-I398 VanDerWaalsContact CA-O 3.31Å; I382-I398 WeakPolarHBondContact CA-O 3.39Å; I382-I398 WeakPolarHBondContact CG2-O 3.38Å; S383-I398 PolarHBondContact N-O 3.14Å; S383-I398 WeakPolarHBondContact OG-CG2 3.48Å; S383-I398 PolarHBondContact OG-O 3.06Å; S384-I398 PolarHBondContact O-N 2.85Å; S384-I398 WeakPolarHBondContact OG-CD1 3.48Å; I398-F410 HydrophobicContact CG2-CB 3.67Å; I398-F410 HydrophobicContact CG2-CD1 4.02Å; I398-F410 HydrophobicContact CG2-CG 4.23Å; I398-T411 CarbonylContact C-O 3.57Å; I398-T411 WeakPolarHBondContact CA-O 3.29Å; I398-C412 HydrophobicContact CG1-CB 3.88Å |
| 399 | A | 93.5 | Very high | 85 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 143.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | H377 Q381 I382 Y397 F410 T411 Y413 | H377-A399 HydrophobicContact CB-CB 4.3Å; Q381-A399 CarbonylContact O-C 3.57Å; Q381-A399 VanDerWaalsContact O-CA 3.28Å; Q381-A399 WeakPolarHBondContact O-CA 3.45Å; I382-A399 HydrophobicContact CG1-CB 4.16Å; Y397-A399 HydrophobicContact CD2-CB 4.35Å; Y397-A399 HydrophobicContact CE2-CB 4.2Å; A399-F410 WeakPolarHBondContact O-CA 3.23Å; A399-T411 PolarHBondContact N-O 3.1Å; A399-T411 PolarHBondContact O-N 3.05Å; A399-Y413 HydrophobicContact CB-CE2 4.03Å |
| 400 | G | 91.4 | Very high | 86.3 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 156.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q381 E402 H409 | Q381-G400 PolarHBondContact O-N 2.84Å; G400-E402 CarbonylContact C-O 3.51Å; G400-E402 PolarHBondContact O-N 3.11Å; G400-H409 WeakPolarHBondContact CA-O 3.44Å |
| 401 | E | 89.6 | Confident | 87.5 | Confident | 108 Ų | 108 | 41.6 Ų | 41.6 | 51% | 0.505 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -54.3 | -34.3 | 167.6 | 61.9 | -168.1 | 160.1 | 0 | 0 | 112.1 | Q381 A407 S408 H409 | Q381-E401 PolarHBondContact NE2-O 3.06Å; E401-A407 HydrophobicContact CG-CB 4.31Å; E401-S408 PolarHBondContact OE1-N 2.76Å; E401-S408 VanDerWaalsContact OE1-N 3.1Å; E401-S408 PolarHBondContact OE1-OG 3.06Å; E401-H409 PolarHBondContact N-O 3.15Å; E401-H409 VanDerWaalsContact N-O 3.16Å; E401-H409 PolarHBondContact OE1-N 3.01Å |
| 402 | E | 85.8 | Confident | 88.6 | Confident | 108 Ų | 108 | 40.7 Ų | 40.7 | 51% | 0.505 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -129.2 | -168.1 | 174.7 | -66 | -173.7 | 177.2 | 0 | 0 | 110.7 | Q381 G400 T406 A407 | Q381-E402 WeakPolarHBondContact CG-O 3.29Å; G400-E402 CarbonylContact C-O 3.51Å; G400-E402 PolarHBondContact O-N 3.11Å; E402-T406 WeakPolarHBondContact CB-OG1 3.37Å; E402-T406 WeakPolarHBondContact OE2-CB 3.36Å; E402-T406 PolarHBondContact OE2-OG1 3.34Å; E402-A407 HydrophobicContact CB-CB 4.43Å |
| 403 | S | 82.9 | Confident | 89.5 | Confident | 38 Ų | 38 | 40.8 Ų | 40.8 | 27% | 0.266 | 23% | 0.225 | S | C | . | . | trans | -54.3 | 146.5 | 172.2 | 71 | 0 | 0 | 0 | 0 | 111.7 | P380 T405 T406 A407 | P380-S403 CarbonylContact O-C 3.51Å; P380-S403 VanDerWaalsContact O-CA 3.28Å; P380-S403 WeakPolarHBondContact O-CA 3.32Å; S403-T405 PolarHBondContact O-N 2.95Å; S403-T405 PolarHBondContact OG-OG1 2.97Å; S403-T405 VanDerWaalsContact OG-OG1 3.06Å; S403-T406 PolarHBondContact O-N 3.35Å; S403-T406 PolarHBondContact O-OG1 2.82Å; S403-T406 PolarHBondContact OG-OG1 2.89Å; S403-A407 VanDerWaalsContact O-CB 3.3Å; S403-A407 WeakPolarHBondContact O-CB 3.19Å; S403-A407 PolarHBondContact O-N 3.22Å | ||
| 404 | C | 77.2 | Confident | 90 | Very high | 48 Ų | 48 | 38.7 Ų | 38.7 | 32% | 0.324 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -20.3 | -177 | -59.1 | 0 | 0 | 0 | 0 | 114.1 | P380 Q381 I382 S383 | P380-C404 PolarHBondContact O-N 2.85Å; P380-C404 PolarHBondContact O-SG 2.89Å; Q381-C404 VanDerWaalsContact C-SG 3.53Å; Q381-C404 PolarHBondContact O-SG 3.36Å; Q381-C404 VanDerWaalsContact O-SG 3.37Å; I382-C404 VanDerWaalsContact C-SG 3.54Å; S383-C404 WeakPolarHBondContact CA-SG 3.44Å |
| 405 | T | 75.8 | Confident | 90.2 | Very high | 133 Ų | 133 | 35.9 Ų | 35.9 | 82% | 0.816 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -22.7 | 176.6 | 46.1 | 0 | 0 | 0 | 0 | 114.2 | S403 | S403-T405 PolarHBondContact O-N 2.95Å; S403-T405 PolarHBondContact OG-OG1 2.97Å; S403-T405 VanDerWaalsContact OG-OG1 3.06Å |
| 406 | T | 81.6 | Confident | 90.2 | Very high | 82 Ų | 82 | 37.1 Ų | 37.1 | 50% | 0.503 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -23.9 | -177.8 | 59.3 | 0 | 0 | 0 | 0 | 113.1 | E402 S403 S408 | E402-T406 WeakPolarHBondContact CB-OG1 3.37Å; E402-T406 WeakPolarHBondContact OE2-CB 3.36Å; E402-T406 PolarHBondContact OE2-OG1 3.34Å; S403-T406 PolarHBondContact O-N 3.35Å; S403-T406 PolarHBondContact O-OG1 2.82Å; S403-T406 PolarHBondContact OG-OG1 2.89Å; T406-S408 PolarHBondContact O-N 3.28Å |
| 407 | A | 84.3 | Confident | 90 | Very high | 13 Ų | 13 | 37.1 Ų | 37.1 | 11% | 0.107 | 21% | 0.208 | C | C | . | . | trans | -61.1 | 130.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E401 E402 S403 F410 | E401-A407 HydrophobicContact CG-CB 4.31Å; E402-A407 HydrophobicContact CB-CB 4.43Å; S403-A407 VanDerWaalsContact O-CB 3.3Å; S403-A407 WeakPolarHBondContact O-CB 3.19Å; S403-A407 PolarHBondContact O-N 3.22Å; A407-F410 HydrophobicContact CB-CE1 4.16Å; A407-F410 HydrophobicContact CB-CE2 4.23Å; A407-F410 HydrophobicContact CB-CZ 3.81Å | ||
| 408 | S | 86.8 | Confident | 89.5 | Confident | 59 Ų | 59 | 41.2 Ų | 41.2 | 41% | 0.413 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -100.5 | -18.5 | 175.1 | 72.8 | 0 | 0 | 0 | 0 | 112 | S319 E401 T406 | S319-S408 WeakPolarHBondContact CA-O 3.49Å; S319-S408 WeakPolarHBondContact CB-O 3.3Å; E401-S408 PolarHBondContact OE1-N 2.76Å; E401-S408 VanDerWaalsContact OE1-N 3.1Å; E401-S408 PolarHBondContact OE1-OG 3.06Å; T406-S408 PolarHBondContact O-N 3.28Å |
| 409 | H | 91.7 | Very high | 88.9 | Confident | 96 Ų | 96 | 44.3 Ų | 44.3 | 44% | 0.444 | 25% | 0.245 | S | C | . | . | trans | -129.2 | 131.1 | -177.4 | -64.1 | 11.5 | 0 | 0 | 0 | 110.3 | G318 G400 E401 | G318-H409 CarbonylContact O-C 3.6Å; G318-H409 WeakPolarHBondContact O-CA 3.4Å; G400-H409 WeakPolarHBondContact CA-O 3.44Å; E401-H409 PolarHBondContact N-O 3.15Å; E401-H409 VanDerWaalsContact N-O 3.16Å; E401-H409 PolarHBondContact OE1-N 3.01Å | ||
| 410 | F | 94.9 | Very high | 88.2 | Confident | 9 Ų | 9 | 50 Ų | 50 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 139.7 | -179.1 | -69.7 | -87.5 | 0 | 0 | 0 | 111.1 | V317 G318 I398 A399 A407 | V317-F410 HydrophobicContact CB-CB 4.39Å; V317-F410 PolarHBondContact N-O 2.96Å; G318-F410 PolarHBondContact O-N 2.87Å; I398-F410 HydrophobicContact CG2-CB 3.67Å; I398-F410 HydrophobicContact CG2-CD1 4.02Å; I398-F410 HydrophobicContact CG2-CG 4.23Å; A399-F410 WeakPolarHBondContact O-CA 3.23Å; A407-F410 HydrophobicContact CB-CE1 4.16Å; A407-F410 HydrophobicContact CB-CE2 4.23Å; A407-F410 HydrophobicContact CB-CZ 3.81Å |
| 411 | T | 96.2 | Very high | 87.5 | Confident | 30 Ų | 30 | 53.8 Ų | 53.8 | 18% | 0.184 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 134 | 176.9 | -61.1 | 0 | 0 | 0 | 0 | 109.9 | Q314 I398 A399 Y413 | Q314-T411 HydrophobicContact CB-CG2 3.81Å; Q314-T411 HydrophobicContact CG-CG2 4.28Å; I398-T411 CarbonylContact C-O 3.57Å; I398-T411 WeakPolarHBondContact CA-O 3.29Å; A399-T411 PolarHBondContact N-O 3.1Å; A399-T411 PolarHBondContact O-N 3.05Å; T411-Y413 HydrophobicContact CG2-CD2 4.45Å; T411-Y413 HydrophobicContact CG2-CE1 3.98Å; T411-Y413 HydrophobicContact CG2-CE2 3.88Å; T411-Y413 WeakPolarHBondContact O-CE2 3.33Å |
| 412 | C | 96 | Very high | 87.2 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 125.6 | 173.8 | -169.7 | 0 | 0 | 0 | 0 | 109.8 | Q314 C315 V317 S329 I398 | Q314-C412 CarbonylContact C-O 3.52Å; Q314-C412 WeakPolarHBondContact CA-O 3.28Å; Q314-C412 WeakPolarHBondContact CB-O 3.29Å; C315-C412 PolarHBondContact N-O 3.26Å; C315-C412 PolarHBondContact O-N 3.15Å; V317-C412 HydrophobicContact CG2-CB 3.62Å; S329-C412 WeakPolarHBondContact CB-SG 3.48Å; I398-C412 HydrophobicContact CG1-CB 3.88Å |
| 413 | Y | 96.7 | Very high | 87.2 | Confident | 24 Ų | 24 | 45.3 Ų | 45.3 | 9% | 0.094 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.7 | 179.3 | -59.4 | -88.3 | 0 | 0 | 0 | 109.5 | Y311 Q314 L375 H377 A396 Y397 A399 T411 F415 | Y311-Y413 HydrophobicContact CE2-CD1 4.27Å; Q314-Y413 HydrophobicContact CB-CD1 3.96Å; Q314-Y413 HydrophobicContact CB-CE1 4.25Å; L375-Y413 HydrophobicContact CD1-CD1 3.54Å; L375-Y413 HydrophobicContact CD1-CE1 4.1Å; L375-Y413 HydrophobicContact CD1-CG 4.1Å; L375-Y413 HydrophobicContact CD2-CD1 3.88Å; L375-Y413 HydrophobicContact CD2-CE1 3.55Å; L375-Y413 HydrophobicContact CG-CD1 4.37Å; L375-Y413 HydrophobicContact CG-CE1 4.47Å; H377-Y413 AromaticContact CE1-CD2 3.87Å; H377-Y413 AromaticContact CE1-CE1 3.98Å; H377-Y413 AromaticContact CE1-CE2 3.35Å; H377-Y413 WeakPolarHBondContact CE1-CE2 3.47Å; H377-Y413 AromaticContact CE1-CZ 3.4Å; H377-Y413 VanDerWaalsContact CE1-CZ 3.4Å; H377-Y413 AromaticContact NE2-CE2 3.77Å; H377-Y413 AromaticContact NE2-CZ 3.66Å; H377-Y413 PolarHBondContact NE2-OH 3.5Å; A396-Y413 WeakPolarHBondContact CA-O 3.31Å; A396-Y413 WeakPolarHBondContact CB-O 3.36Å; Y397-Y413 HydrophobicContact CD2-CD2 4.19Å; Y397-Y413 AromaticContact CE2-CD2 3.64Å; Y397-Y413 HydrophobicContact CE2-CD2 3.64Å; Y397-Y413 HydrophobicContact CE2-CE2 4.36Å; Y397-Y413 HydrophobicContact CE2-CG 4.24Å; Y397-Y413 PolarHBondContact N-O 3.25Å; Y397-Y413 PolarHBondContact O-N 2.71Å; A399-Y413 HydrophobicContact CB-CE2 4.03Å; T411-Y413 HydrophobicContact CG2-CD2 4.45Å; T411-Y413 HydrophobicContact CG2-CE1 3.98Å; T411-Y413 HydrophobicContact CG2-CE2 3.88Å; T411-Y413 WeakPolarHBondContact O-CE2 3.33Å; Y413-F415 WeakPolarHBondContact O-CD2 3.28Å; Y413-F415 WeakPolarHBondContact O-CE2 3.38Å |
| 414 | V | 95.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 134 | -170.2 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | Y311 I312 G313 I330 V333 A396 | Y311-V414 WeakPolarHBondContact CD2-O 3.44Å; I312-V414 HydrophobicContact CB-CB 4.46Å; I312-V414 HydrophobicContact CB-CG1 4.16Å; I312-V414 HydrophobicContact CG1-CG1 4.49Å; I312-V414 PolarHBondContact N-O 2.95Å; G313-V414 PolarHBondContact N-O 3.25Å; G313-V414 PolarHBondContact O-N 3.42Å; I330-V414 HydrophobicContact CB-CG1 4.34Å; I330-V414 HydrophobicContact CG1-CG1 4.08Å; I330-V414 HydrophobicContact CG1-CG2 4.03Å; I330-V414 HydrophobicContact CG2-CG1 3.88Å; V333-V414 HydrophobicContact CB-CB 4.31Å; V333-V414 HydrophobicContact CB-CG2 3.95Å; V333-V414 HydrophobicContact CG1-CB 4.09Å; V333-V414 HydrophobicContact CG1-CG1 4.45Å; V333-V414 HydrophobicContact CG1-CG2 4.25Å; V333-V414 HydrophobicContact CG2-CB 4.45Å; V333-V414 HydrophobicContact CG2-CG2 3.74Å; A396-V414 HydrophobicContact CB-CG2 4.09Å |
| 415 | F | 95.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 155.9 | -177.8 | -55.6 | -90.7 | 0 | 0 | 0 | 110.8 | R310 Y311 V346 I348 V357 L375 Y394 F395 Y397 Y413 | R310-F415 CarbonylContact O-C 3.59Å; R310-F415 WeakPolarHBondContact O-CA 3.4Å; Y311-F415 AromaticContact CD2-CD1 3.91Å; Y311-F415 HydrophobicContact CD2-CD1 3.91Å; Y311-F415 AromaticContact CD2-CE1 3.47Å; Y311-F415 HydrophobicContact CD2-CE1 3.47Å; Y311-F415 VanDerWaalsContact CD2-CE1 3.47Å; Y311-F415 AromaticContact CD2-CZ 3.85Å; Y311-F415 HydrophobicContact CD2-CZ 3.85Å; Y311-F415 HydrophobicContact CE2-CE1 4.33Å; Y311-F415 HydrophobicContact CE2-CZ 4.29Å; Y311-F415 HydrophobicContact CG-CE1 4.2Å; V346-F415 HydrophobicContact CG2-CD1 4.13Å; V346-F415 HydrophobicContact CG2-CE1 4.38Å; I348-F415 HydrophobicContact CD1-CD1 3.82Å; I348-F415 HydrophobicContact CD1-CE1 4.12Å; I348-F415 HydrophobicContact CD1-CG 4.09Å; V357-F415 HydrophobicContact CG1-CE1 4Å; V357-F415 HydrophobicContact CG2-CE1 4.14Å; V357-F415 HydrophobicContact CG2-CZ 4.04Å; L375-F415 HydrophobicContact CD1-CE1 4.49Å; L375-F415 HydrophobicContact CD1-CZ 3.92Å; Y394-F415 WeakPolarHBondContact CA-O 3.32Å; F395-F415 HydrophobicContact CD1-CB 4.01Å; F395-F415 HydrophobicContact CD2-CB 4.08Å; F395-F415 HydrophobicContact CD2-CD2 4.21Å; F395-F415 HydrophobicContact CD2-CG 4.5Å; F395-F415 HydrophobicContact CE1-CB 3.53Å; F395-F415 HydrophobicContact CE2-CB 3.6Å; F395-F415 AromaticContact CE2-CD2 3.82Å; F395-F415 HydrophobicContact CE2-CD2 3.82Å; F395-F415 AromaticContact CE2-CG 3.85Å; F395-F415 HydrophobicContact CE2-CG 3.85Å; F395-F415 HydrophobicContact CG-CB 4.26Å; F395-F415 HydrophobicContact CZ-CB 3.31Å; F395-F415 HydrophobicContact CZ-CD2 4.36Å; F395-F415 AromaticContact CZ-CG 3.91Å; F395-F415 HydrophobicContact CZ-CG 3.91Å; F395-F415 PolarHBondContact N-O 2.74Å; F395-F415 PolarHBondContact O-N 2.92Å; F395-F415 VanDerWaalsContact O-O 3.14Å; Y397-F415 AromaticContact CD1-CE2 3.85Å; Y397-F415 HydrophobicContact CD1-CE2 3.85Å; Y397-F415 HydrophobicContact CE1-CD2 4.45Å; Y397-F415 AromaticContact CE1-CE2 3.41Å; Y397-F415 HydrophobicContact CE1-CE2 3.41Å; Y397-F415 VanDerWaalsContact CE1-CE2 3.41Å; Y397-F415 AromaticContact CE1-CZ 3.83Å; Y397-F415 HydrophobicContact CE1-CZ 3.83Å; Y413-F415 WeakPolarHBondContact O-CD2 3.28Å; Y413-F415 WeakPolarHBondContact O-CE2 3.38Å |
| 416 | E | 93.4 | Very high | 87.5 | Confident | 27 Ų | 27 | 46.9 Ų | 46.9 | 13% | 0.126 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 132.8 | 170.1 | -178.6 | 178.7 | -139.6 | 0 | 0 | 108.9 | F309 R310 I312 N393 Y394 | F309-E416 CarbonylContact C-O 3.6Å; F309-E416 VanDerWaalsContact CA-O 3.22Å; F309-E416 WeakPolarHBondContact CA-O 3.49Å; R310-E416 HydrophobicContact CB-CB 4.48Å; R310-E416 PolarHBondContact N-O 3.36Å; R310-E416 IonicContact NH1-OE2 3.3Å; R310-E416 PolarHBondContact O-N 3.42Å; I312-E416 HydrophobicContact CD1-CB 3.72Å; I312-E416 HydrophobicContact CG1-CB 3.95Å; N393-E416 HydrophobicContact CB-CG 4.46Å; N393-E416 CarbonylContact O-C 3.52Å; N393-E416 WeakPolarHBondContact O-CA 3.28Å; Y394-E416 HydrophobicContact CD1-CB 3.77Å; Y394-E416 HydrophobicContact CD1-CG 3.97Å; Y394-E416 HydrophobicContact CE1-CB 3.66Å; Y394-E416 VanDerWaalsContact CE1-CD 3.5Å; Y394-E416 HydrophobicContact CE1-CG 3.56Å; Y394-E416 WeakPolarHBondContact CE1-OE1 3.37Å; Y394-E416 VanDerWaalsContact CZ-OE1 3.25Å; Y394-E416 PolarHBondContact OH-OE1 2.96Å |
| 417 | S | 91.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 142.5 | 169.1 | -170.6 | 0 | 0 | 0 | 0 | 110.9 | H308 N393 D419 A423 | H308-S417 WeakPolarHBondContact O-CA 3.38Å; N393-S417 WeakPolarHBondContact CB-O 3.41Å; N393-S417 PolarHBondContact O-N 3.25Å; S417-D419 VanDerWaalsContact CB-O 3.27Å; S417-D419 WeakPolarHBondContact CB-O 3.42Å; S417-D419 PolarHBondContact OG-N 3.47Å; S417-D419 PolarHBondContact OG-O 3.43Å; S417-A423 PolarHBondContact OG-N 3.47Å |
| 418 | M | 84.8 | Confident | 87.5 | Confident | 86 Ų | 86 | 45.8 Ų | 45.8 | 42% | 0.424 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -71.7 | -24.1 | 170.9 | -62.7 | -58.6 | -59.8 | 0 | 0 | 111.9 | P305 Y307 H308 | P305-M418 HydrophobicContact CB-CG 4.4Å; P305-M418 HydrophobicContact CG-CB 4.21Å; P305-M418 HydrophobicContact CG-CG 4.47Å; Y307-M418 HydrophobicContact CD2-CG 4.28Å; Y307-M418 HydrophobicContact CE2-CG 4Å; Y307-M418 HydrophobicContact CE2-SD 3.84Å; H308-M418 PolarHBondContact O-N 2.86Å |
| 419 | D | 81.2 | Confident | 87 | Confident | 65 Ų | 65 | 43.9 Ų | 43.9 | 35% | 0.348 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -123.8 | 129.6 | 177.1 | -179.8 | 8.5 | 0 | 0 | 0 | 111.2 | S417 E421 E422 A423 | S417-D419 VanDerWaalsContact CB-O 3.27Å; S417-D419 WeakPolarHBondContact CB-O 3.42Å; S417-D419 PolarHBondContact OG-N 3.47Å; S417-D419 PolarHBondContact OG-O 3.43Å; D419-E421 PolarHBondContact O-N 3.16Å; D419-E421 PolarHBondContact OD1-N 3.06Å; D419-E422 HydrophobicContact CB-CB 4.17Å; D419-E422 HydrophobicContact CB-CG 4.02Å; D419-E422 PolarHBondContact O-N 3.33Å; D419-E422 VanDerWaalsContact O-N 3.16Å; D419-A423 PolarHBondContact O-N 3.23Å; D419-A423 VanDerWaalsContact O-N 3.12Å |
| 420 | K | 79.7 | Confident | 86.7 | Confident | 119 Ų | 119 | 39.4 Ų | 39.4 | 52% | 0.517 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -57.4 | -38.6 | 175.8 | -70 | -179.6 | 174.6 | -173.9 | 0 | 111.9 | T392 N393 E422 A423 R424 | T392-K420 WeakPolarHBondContact OG1-CD 3.23Å; T392-K420 WeakPolarHBondContact OG1-CE 3.34Å; T392-K420 WeakPolarHBondContact OG1-CG 3.38Å; N393-K420 WeakPolarHBondContact OD1-CG 3.41Å; K420-E422 VanDerWaalsContact C-N 3.33Å; K420-A423 PolarHBondContact O-N 3.26Å; K420-R424 PolarHBondContact O-N 3.4Å; K420-R424 VanDerWaalsContact O-N 3.09Å |
| 421 | E | 76.1 | Confident | 85.7 | Confident | 84 Ų | 84 | 41.2 Ų | 41.2 | 39% | 0.393 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -69.6 | -32.6 | 179.7 | -77 | -57.7 | 124.5 | 0 | 0 | 112 | D419 R424 R425 | D419-E421 PolarHBondContact O-N 3.16Å; D419-E421 PolarHBondContact OD1-N 3.06Å; E421-R424 WeakPolarHBondContact O-CB 3.46Å; E421-R424 PolarHBondContact O-N 3.46Å; E421-R424 IonicContact OE1-NE 3Å; E421-R424 IonicContact OE2-CZ 2.66Å; E421-R424 VanDerWaalsContact OE2-CZ 3.3Å; E421-R424 IonicContact OE2-NE 2.67Å; E421-R424 PolarHBondContact OE2-NE 3.43Å; E421-R424 IonicContact OE2-NH2 2.71Å; E421-R424 PolarHBondContact OE2-NH2 3.28Å; E421-R425 VanDerWaalsContact O-CG 3.3Å; E421-R425 WeakPolarHBondContact O-CG 3.15Å; E421-R425 PolarHBondContact O-N 3.43Å |
| 422 | E | 83 | Confident | 84.6 | Confident | 38 Ų | 38 | 44.1 Ų | 44.1 | 18% | 0.178 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.3 | -40.2 | 174.5 | -71.1 | -167.3 | 135.8 | 0 | 0 | 112.6 | H308 F309 D419 K420 R424 R425 I426 | H308-E422 WeakPolarHBondContact CB-OE2 3.13Å; H308-E422 IonicContact CE1-OE1 2.77Å; H308-E422 PolarHBondContact CE1-OE1 3.36Å; H308-E422 IonicContact CE1-OE2 3.13Å; H308-E422 IonicContact CG-OE1 2.84Å; H308-E422 IonicContact CG-OE2 2.77Å; H308-E422 IonicContact ND1-OE1 3.21Å; H308-E422 PolarHBondContact ND1-OE1 3.43Å; H308-E422 IonicContact ND1-OE2 3.63Å; H308-E422 PolarHBondContact ND1-OE2 2.94Å; F309-E422 HydrophobicContact CE1-CB 4.03Å; F309-E422 HydrophobicContact CZ-CB 4.16Å; D419-E422 HydrophobicContact CB-CB 4.17Å; D419-E422 HydrophobicContact CB-CG 4.02Å; D419-E422 PolarHBondContact O-N 3.33Å; D419-E422 VanDerWaalsContact O-N 3.16Å; K420-E422 VanDerWaalsContact C-N 3.33Å; E422-R424 PolarHBondContact O-N 3.4Å; E422-R425 PolarHBondContact O-N 2.86Å; E422-I426 WeakPolarHBondContact O-CG1 3.36Å; E422-I426 PolarHBondContact O-N 3.28Å |
| 423 | A | 85.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.5 | -42.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | T392 F395 S417 D419 K420 I426 I427 | T392-A423 WeakPolarHBondContact O-CB 3.27Å; F395-A423 HydrophobicContact CD1-CB 3.98Å; S417-A423 PolarHBondContact OG-N 3.47Å; D419-A423 PolarHBondContact O-N 3.23Å; D419-A423 VanDerWaalsContact O-N 3.12Å; K420-A423 PolarHBondContact O-N 3.26Å; A423-I426 PolarHBondContact O-N 3.37Å; A423-I427 WeakPolarHBondContact O-CG1 3.39Å; A423-I427 PolarHBondContact O-N 2.86Å; A423-I427 VanDerWaalsContact O-N 3.08Å |
| 424 | R | 77 | Confident | 82 | Confident | 80 Ų | 80 | 45.4 Ų | 45.4 | 30% | 0.302 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.2 | -48.7 | 175.5 | -167.7 | -177.4 | 64.5 | 71.3 | 2.8 | 112.2 | E216 R387 K420 E421 E422 I426 I427 S428 | E216-R424 WeakPolarHBondContact OE1-CD 3.34Å; E216-R424 VanDerWaalsContact OE1-CG 3.28Å; E216-R424 WeakPolarHBondContact OE1-CG 3.21Å; R387-R424 VanDerWaalsContact NH1-CA 3.25Å; K420-R424 PolarHBondContact O-N 3.4Å; K420-R424 VanDerWaalsContact O-N 3.09Å; E421-R424 WeakPolarHBondContact O-CB 3.46Å; E421-R424 PolarHBondContact O-N 3.46Å; E421-R424 IonicContact OE1-NE 3Å; E421-R424 IonicContact OE2-CZ 2.66Å; E421-R424 VanDerWaalsContact OE2-CZ 3.3Å; E421-R424 IonicContact OE2-NE 2.67Å; E421-R424 PolarHBondContact OE2-NE 3.43Å; E421-R424 IonicContact OE2-NH2 2.71Å; E421-R424 PolarHBondContact OE2-NH2 3.28Å; E422-R424 PolarHBondContact O-N 3.4Å; R424-I426 VanDerWaalsContact C-N 3.34Å; R424-I426 PolarHBondContact O-N 2.91Å; R424-I427 PolarHBondContact O-N 2.8Å; R424-S428 WeakPolarHBondContact O-CB 3.42Å; R424-S428 PolarHBondContact O-N 3.21Å |
| 425 | R | 78.7 | Confident | 80.4 | Confident | 156 Ų | 156 | 50.5 Ų | 50.5 | 59% | 0.589 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -60.8 | -42.3 | 179.4 | -73.3 | 173.8 | -168.3 | 175.3 | 4.8 | 111.8 | E421 E422 S428 G429 | E421-R425 VanDerWaalsContact O-CG 3.3Å; E421-R425 WeakPolarHBondContact O-CG 3.15Å; E421-R425 PolarHBondContact O-N 3.43Å; E422-R425 PolarHBondContact O-N 2.86Å; R425-S428 PolarHBondContact O-N 2.81Å; R425-G429 PolarHBondContact O-N 2.71Å |
| 426 | I | 87.8 | Confident | 78.9 | Confident | 17 Ų | 17 | 57 Ų | 57 | 9% | 0.087 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 177.5 | -70.5 | -64.5 | 0 | 0 | 0 | 111.2 | F309 I348 L350 F395 E422 A423 R424 G429 L430 | F309-I426 HydrophobicContact CE1-CG1 3.84Å; F309-I426 HydrophobicContact CE2-CD1 4.11Å; F309-I426 HydrophobicContact CE2-CG1 4.1Å; F309-I426 HydrophobicContact CZ-CD1 3.88Å; F309-I426 HydrophobicContact CZ-CG1 3.41Å; F309-I426 VanDerWaalsContact CZ-CG1 3.41Å; I348-I426 HydrophobicContact CB-CD1 4.46Å; I348-I426 HydrophobicContact CG2-CD1 4.42Å; L350-I426 HydrophobicContact CD1-CD1 3.98Å; L350-I426 HydrophobicContact CG-CD1 4.22Å; F395-I426 HydrophobicContact CD2-CG2 4.15Å; F395-I426 HydrophobicContact CE2-CB 4.44Å; F395-I426 HydrophobicContact CE2-CG2 3.58Å; F395-I426 HydrophobicContact CZ-CG2 4.1Å; E422-I426 WeakPolarHBondContact O-CG1 3.36Å; E422-I426 PolarHBondContact O-N 3.28Å; A423-I426 PolarHBondContact O-N 3.37Å; R424-I426 VanDerWaalsContact C-N 3.34Å; R424-I426 PolarHBondContact O-N 2.91Å; I426-G429 PolarHBondContact O-N 3.02Å; I426-L430 HydrophobicContact CG2-CD1 3.98Å; I426-L430 HydrophobicContact CG2-CG 4.49Å; I426-L430 WeakPolarHBondContact O-CG 3.49Å; I426-L430 PolarHBondContact O-N 3.06Å |
| 427 | I | 86.8 | Confident | 77.1 | Confident | 17 Ų | 17 | 56.6 Ų | 56.6 | 9% | 0.087 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.8 | -42 | 178.8 | -70.3 | -73.2 | 0 | 0 | 0 | 111.5 | C385 G386 R387 F395 A423 R424 G429 L430 S431 | C385-I427 HydrophobicContact CB-CD1 3.89Å; G386-I427 WeakPolarHBondContact O-CD1 3.35Å; R387-I427 HydrophobicContact CG-CG1 3.93Å; F395-I427 HydrophobicContact CB-CD1 4.03Å; F395-I427 HydrophobicContact CB-CG1 3.98Å; F395-I427 HydrophobicContact CD2-CD1 4.24Å; F395-I427 HydrophobicContact CD2-CG1 4.44Å; F395-I427 HydrophobicContact CG-CG1 4.48Å; A423-I427 WeakPolarHBondContact O-CG1 3.39Å; A423-I427 PolarHBondContact O-N 2.86Å; A423-I427 VanDerWaalsContact O-N 3.08Å; R424-I427 PolarHBondContact O-N 2.8Å; I427-G429 VanDerWaalsContact C-N 3.31Å; I427-G429 PolarHBondContact O-N 2.85Å; I427-L430 HydrophobicContact CD1-CD1 4.07Å; I427-L430 WeakPolarHBondContact O-CB 3.3Å; I427-L430 PolarHBondContact O-N 3.43Å; I427-S431 PolarHBondContact O-N 3.38Å; I427-S431 PolarHBondContact O-OG 2.92Å; I427-S431 VanDerWaalsContact O-OG 3.1Å |
| 428 | S | 77.9 | Confident | 75.2 | Confident | 55 Ų | 55 | 64 Ų | 64 | 39% | 0.385 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 172.8 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | R424 R425 S431 M432 | R424-S428 WeakPolarHBondContact O-CB 3.42Å; R424-S428 PolarHBondContact O-N 3.21Å; R425-S428 PolarHBondContact O-N 2.81Å; S428-S431 PolarHBondContact O-N 3.01Å; S428-M432 VanDerWaalsContact O-CG 3.29Å; S428-M432 WeakPolarHBondContact O-CG 3.41Å; S428-M432 PolarHBondContact O-N 2.86Å |
| 429 | G | 77.7 | Confident | 72.9 | Confident | 19 Ų | 19 | 70.8 Ų | 70.8 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68 | -36.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R425 I426 I427 G433 | R425-G429 PolarHBondContact O-N 2.71Å; I426-G429 PolarHBondContact O-N 3.02Å; I427-G429 VanDerWaalsContact C-N 3.31Å; I427-G429 PolarHBondContact O-N 2.85Å; G429-G433 PolarHBondContact O-N 3.12Å; G429-G433 VanDerWaalsContact O-N 3.16Å |
| 430 | L | 84.3 | Confident | 70.5 | Confident | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.8 | -50 | 170.9 | -78.1 | 165.9 | 0 | 0 | 0 | 110.8 | L350 V355 Y379 I382 C385 Y397 I426 I427 M432 G433 F434 | L350-L430 HydrophobicContact CD2-CD2 4Å; L350-L430 HydrophobicContact CD2-CG 4.05Å; V355-L430 HydrophobicContact CB-CD2 4.45Å; V355-L430 HydrophobicContact CG2-CD2 3.2Å; Y379-L430 HydrophobicContact CE1-CD2 4.35Å; I382-L430 HydrophobicContact CD1-CD2 4.35Å; C385-L430 HydrophobicContact CB-CB 4.32Å; C385-L430 HydrophobicContact CB-CD1 4.05Å; Y397-L430 HydrophobicContact CD1-CD1 4.31Å; I426-L430 HydrophobicContact CG2-CD1 3.98Å; I426-L430 HydrophobicContact CG2-CG 4.49Å; I426-L430 WeakPolarHBondContact O-CG 3.49Å; I426-L430 PolarHBondContact O-N 3.06Å; I427-L430 HydrophobicContact CD1-CD1 4.07Å; I427-L430 WeakPolarHBondContact O-CB 3.3Å; I427-L430 PolarHBondContact O-N 3.43Å; L430-M432 PolarHBondContact O-N 3.44Å; L430-G433 WeakPolarHBondContact O-CA 3.4Å; L430-G433 PolarHBondContact O-N 2.77Å; L430-F434 PolarHBondContact O-N 2.98Å |
| 431 | S | 74.9 | Confident | 68.3 | Low | 48 Ų | 48 | 76.7 Ų | 76.7 | 34% | 0.336 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 178 | -62.3 | 0 | 0 | 0 | 0 | 112.6 | I427 S428 G433 F434 D435 | I427-S431 PolarHBondContact O-N 3.38Å; I427-S431 PolarHBondContact O-OG 2.92Å; I427-S431 VanDerWaalsContact O-OG 3.1Å; S428-S431 PolarHBondContact O-N 3.01Å; S431-G433 PolarHBondContact O-N 2.82Å; S431-F434 WeakPolarHBondContact O-CB 3.32Å; S431-F434 PolarHBondContact O-N 3.36Å; S431-F434 VanDerWaalsContact O-N 3.14Å; S431-D435 PolarHBondContact O-N 2.74Å |
| 432 | M | 72.6 | Confident | 67.9 | Low | 90 Ų | 90 | 76.3 Ų | 76.3 | 44% | 0.443 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.3 | -28.7 | 175.9 | -72.5 | 175.1 | 67.6 | 0 | 0 | 113.1 | S428 L430 D435 R436 | S428-M432 VanDerWaalsContact O-CG 3.29Å; S428-M432 WeakPolarHBondContact O-CG 3.41Å; S428-M432 PolarHBondContact O-N 2.86Å; L430-M432 PolarHBondContact O-N 3.44Å; M432-D435 PolarHBondContact O-N 3.05Å; M432-R436 WeakPolarHBondContact O-CG 3.42Å; M432-R436 PolarHBondContact O-N 3.06Å; M432-R436 VanDerWaalsContact O-N 3.14Å |
| 433 | G | 66.5 | Low | 67.2 | Low | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.01 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69.6 | -34.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y379 G429 L430 S431 R436 T437 | Y379-G433 VanDerWaalsContact CZ-CA 3.44Å; G429-G433 PolarHBondContact O-N 3.12Å; G429-G433 VanDerWaalsContact O-N 3.16Å; L430-G433 WeakPolarHBondContact O-CA 3.4Å; L430-G433 PolarHBondContact O-N 2.77Å; S431-G433 PolarHBondContact O-N 2.82Å; G433-R436 PolarHBondContact O-N 2.91Å; G433-T437 PolarHBondContact O-N 3.16Å; G433-T437 PolarHBondContact O-OG1 2.84Å |
| 434 | F | 71.4 | Confident | 66.1 | Low | 51 Ų | 51 | 82.7 Ų | 82.7 | 22% | 0.224 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.6 | -48.9 | 169.5 | -55.3 | -43.5 | 0 | 0 | 0 | 110.5 | Y379 I382 C385 L430 S431 R436 T437 H438 | Y379-F434 HydrophobicContact CD1-CD1 4.23Å; Y379-F434 HydrophobicContact CD1-CE1 4.36Å; I382-F434 HydrophobicContact CB-CE1 3.74Å; I382-F434 HydrophobicContact CB-CZ 4.33Å; I382-F434 HydrophobicContact CG2-CE1 3.46Å; I382-F434 VanDerWaalsContact CG2-CE1 3.46Å; I382-F434 HydrophobicContact CG2-CZ 3.53Å; I382-F434 WeakPolarHBondContact O-CE1 3.35Å; C385-F434 HydrophobicContact CB-CZ 4.46Å; L430-F434 PolarHBondContact O-N 2.98Å; S431-F434 WeakPolarHBondContact O-CB 3.32Å; S431-F434 PolarHBondContact O-N 3.36Å; S431-F434 VanDerWaalsContact O-N 3.14Å; F434-R436 VanDerWaalsContact C-N 3.3Å; F434-R436 PolarHBondContact O-N 2.94Å; F434-T437 PolarHBondContact O-N 2.83Å; F434-T437 PolarHBondContact O-OG1 3.48Å; F434-H438 PolarHBondContact O-N 3.41Å |
| 435 | D | 63.1 | Low | 65.5 | Low | 106 Ų | 106 | 82.8 Ų | 82.8 | 57% | 0.567 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.8 | -39.7 | -177.5 | -67.7 | -26.7 | 0 | 0 | 0 | 112 | S431 M432 | S431-D435 PolarHBondContact O-N 2.74Å; M432-D435 PolarHBondContact O-N 3.05Å |
| 436 | R | 62.8 | Low | 64.7 | Low | 136 Ų | 136 | 78.3 Ų | 78.3 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 178 | -70.9 | 172.9 | -171.9 | -179.2 | 2.3 | 112.6 | M432 G433 F434 T440 | M432-R436 WeakPolarHBondContact O-CG 3.42Å; M432-R436 PolarHBondContact O-N 3.06Å; M432-R436 VanDerWaalsContact O-N 3.14Å; G433-R436 PolarHBondContact O-N 2.91Å; F434-R436 VanDerWaalsContact C-N 3.3Å; F434-R436 PolarHBondContact O-N 2.94Å; R436-T440 PolarHBondContact O-OG1 3.24Å; R436-T440 VanDerWaalsContact O-OG1 3.04Å |
| 437 | T | 55.6 | Low | 63.1 | Low | 20 Ų | 20 | 82.3 Ų | 82.3 | 12% | 0.123 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -83 | -21.1 | -174.4 | 48.8 | 0 | 0 | 0 | 0 | 113.2 | Y379 G433 F434 W439 T440 | Y379-T437 VanDerWaalsContact CB-OG1 3.3Å; Y379-T437 WeakPolarHBondContact CB-OG1 3.21Å; Y379-T437 HydrophobicContact CD2-CG2 3.98Å; Y379-T437 HydrophobicContact CG-CG2 4.34Å; G433-T437 PolarHBondContact O-N 3.16Å; G433-T437 PolarHBondContact O-OG1 2.84Å; F434-T437 PolarHBondContact O-N 2.83Å; F434-T437 PolarHBondContact O-OG1 3.48Å; T437-W439 PolarHBondContact O-N 2.78Å; T437-T440 PolarHBondContact O-N 3.1Å; T437-T440 VanDerWaalsContact O-N 3.11Å |
| 438 | H | 52.7 | Low | 61.4 | Low | 155 Ų | 155 | 87 Ų | 87 | 72% | 0.718 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -60.9 | -27.4 | 174.3 | -156.3 | -11.3 | 0 | 0 | 0 | 113.2 | F434 | F434-H438 PolarHBondContact O-N 3.41Å |
| 439 | W | 34.8 | Very low | 60.2 | Low | 228 Ų | 228 | 89.5 Ų | 89.5 | 86% | 0.864 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -7.4 | 177.4 | -61.4 | 103.2 | 0 | 0 | 0 | 114.7 | T437 | T437-W439 PolarHBondContact O-N 2.78Š|
| 440 | T | 32.2 | Very low | 58.7 | Low | 115 Ų | 115 | 95.3 Ų | 95.3 | 71% | 0.706 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -15.3 | -173.5 | -41.6 | 0 | 0 | 0 | 0 | 112.8 | R436 T437 | R436-T440 PolarHBondContact O-OG1 3.24Å; R436-T440 VanDerWaalsContact O-OG1 3.04Å; T437-T440 PolarHBondContact O-N 3.1Å; T437-T440 VanDerWaalsContact O-N 3.11Å |
| 441 | L | 33.7 | Very low | 56.4 | Low | 193 Ų | 193 | 103.9 Ų | 103.9 | 100% | 1.01 | 50% | 0.501 | S | S | * | . | trans | -92.4 | 0 | 167.4 | -71 | 167.2 | 0 | 0 | 0 | 109.6 | P380 | P380-L441 HydrophobicContact CB-CD1 4.47Å; P380-L441 HydrophobicContact CG-CD1 4.34Å |
Retrieved 441 of 441 residues in 563.4 ms
(Link to these results)