| 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 | 60.4 | Low | 85.2 | Confident | 202 Ų | 202 | 94.9 Ų | 94.9 | 100% | 0.995 | 49% | 0.494 | S | S | * | . | 0 | -49.9 | 0 | -82.3 | 179.9 | 154.1 | 0 | 0 | 112.1 | D3 S4 V5 | M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 3.29Å; M1-S4 PolarHBondContact O-N 3.37Å; M1-V5 WeakPolarHBondContact O-CG2 3.46Å; M1-V5 PolarHBondContact O-N 3.35Å; M1-V5 VanDerWaalsContact O-N 3.08Å | |||
| 2 | T | 75.5 | Confident | 86 | Confident | 105 Ų | 105 | 88.3 Ų | 88.3 | 64% | 0.644 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -55.8 | -39.9 | 179 | -44.1 | 0 | 0 | 0 | 0 | 113.7 | R6 | T2-R6 VanDerWaalsContact O-CB 3.31Å; T2-R6 WeakPolarHBondContact O-CB 3.46Å; T2-R6 PolarHBondContact O-N 2.92Å |
| 3 | D | 82.1 | Confident | 86.6 | Confident | 120 Ų | 120 | 85.8 Ų | 85.8 | 64% | 0.642 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -70 | -37.8 | 179 | -61.2 | -38.6 | 0 | 0 | 0 | 113.1 | M1 R6 A7 | M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 3.29Å; D3-R6 PolarHBondContact O-N 3.25Å; D3-A7 VanDerWaalsContact O-CB 3.31Å; D3-A7 WeakPolarHBondContact O-CB 3.39Å; D3-A7 PolarHBondContact O-N 2.98Å |
| 4 | S | 84 | Confident | 87.1 | Confident | 49 Ų | 49 | 84.3 Ų | 84.3 | 34% | 0.343 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 175.3 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | M1 A7 F8 Y287 | M1-S4 PolarHBondContact O-N 3.37Å; S4-A7 PolarHBondContact O-N 2.83Å; S4-F8 WeakPolarHBondContact O-CB 3.49Å; S4-F8 PolarHBondContact O-N 3.29Å; S4-Y287 PolarHBondContact O-OH 3.14Å |
| 5 | V | 87.5 | Confident | 87.5 | Confident | 83 Ų | 83 | 78.7 Ų | 78.7 | 50% | 0.503 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 176.9 | 175.5 | 0 | 0 | 0 | 0 | 110.8 | M1 F8 L9 | M1-V5 WeakPolarHBondContact O-CG2 3.46Å; M1-V5 PolarHBondContact O-N 3.35Å; M1-V5 VanDerWaalsContact O-N 3.08Å; V5-F8 WeakPolarHBondContact O-CB 3.25Å; V5-F8 PolarHBondContact O-N 3.35Å; V5-L9 HydrophobicContact CG1-CD1 4.02Å; V5-L9 HydrophobicContact CG1-CG 4.41Å; V5-L9 WeakPolarHBondContact O-CG 3.3Å; V5-L9 PolarHBondContact O-N 3.12Å |
| 6 | R | 88.7 | Confident | 87.9 | Confident | 148 Ų | 148 | 77 Ų | 77 | 56% | 0.558 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.1 | -46.4 | 175.2 | -178.8 | -179.5 | -73.5 | 178.8 | -3.6 | 111.3 | T2 D3 F8 L9 Q10 | T2-R6 VanDerWaalsContact O-CB 3.31Å; T2-R6 WeakPolarHBondContact O-CB 3.46Å; T2-R6 PolarHBondContact O-N 2.92Å; D3-R6 PolarHBondContact O-N 3.25Å; R6-F8 VanDerWaalsContact C-N 3.33Å; R6-F8 PolarHBondContact O-N 3.37Å; R6-L9 PolarHBondContact O-N 2.8Å; R6-Q10 HydrophobicContact CG-CG 4.42Å; R6-Q10 WeakPolarHBondContact O-CB 3Å; R6-Q10 WeakPolarHBondContact O-CG 3.27Å; R6-Q10 PolarHBondContact O-N 3.47Å |
| 7 | A | 89.1 | Confident | 88.2 | Confident | 29 Ų | 29 | 79.8 Ų | 79.8 | 24% | 0.24 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D3 S4 Q10 N11 Y287 | D3-A7 VanDerWaalsContact O-CB 3.31Å; D3-A7 WeakPolarHBondContact O-CB 3.39Å; D3-A7 PolarHBondContact O-N 2.98Å; S4-A7 PolarHBondContact O-N 2.83Å; A7-Q10 PolarHBondContact O-N 2.81Å; A7-N11 PolarHBondContact O-N 2.85Å; A7-N11 PolarHBondContact O-ND2 2.77Å; A7-Y287 HydrophobicContact CB-CE2 4.17Å |
| 8 | F | 91.4 | Very high | 88.3 | Confident | 53 Ų | 53 | 77 Ų | 77 | 23% | 0.232 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -57.2 | -56.5 | 174.5 | 177.1 | -103.5 | 0 | 0 | 0 | 111.3 | S4 V5 R6 Q10 N11 V12 W239 P240 F243 | S4-F8 WeakPolarHBondContact O-CB 3.49Å; S4-F8 PolarHBondContact O-N 3.29Å; V5-F8 WeakPolarHBondContact O-CB 3.25Å; V5-F8 PolarHBondContact O-N 3.35Å; R6-F8 VanDerWaalsContact C-N 3.33Å; R6-F8 PolarHBondContact O-N 3.37Å; F8-Q10 VanDerWaalsContact C-N 3.3Å; F8-Q10 PolarHBondContact O-N 2.88Å; F8-N11 PolarHBondContact O-N 3.33Å; F8-N11 VanDerWaalsContact O-N 3.16Å; F8-V12 HydrophobicContact CD1-CG2 4.38Å; F8-V12 HydrophobicContact CD2-CG2 4.32Å; F8-V12 HydrophobicContact CE1-CG2 3.93Å; F8-V12 HydrophobicContact CE2-CG2 3.82Å; F8-V12 HydrophobicContact CZ-CG2 3.63Å; F8-V12 WeakPolarHBondContact O-CG2 3.49Å; F8-V12 PolarHBondContact O-N 3Å; F8-W239 AromaticContact CD2-CH2 3.9Å; F8-W239 HydrophobicContact CD2-CH2 3.9Å; F8-W239 HydrophobicContact CD2-CZ2 4.13Å; F8-W239 HydrophobicContact CE2-CE3 4.45Å; F8-W239 AromaticContact CE2-CH2 3.18Å; F8-W239 HydrophobicContact CE2-CH2 3.18Å; F8-W239 AromaticContact CE2-CZ2 3.86Å; F8-W239 HydrophobicContact CE2-CZ2 3.86Å; F8-W239 AromaticContact CE2-CZ3 3.53Å; F8-W239 HydrophobicContact CE2-CZ3 3.53Å; F8-W239 AromaticContact CZ-CH2 3.97Å; F8-W239 HydrophobicContact CZ-CH2 3.97Å; F8-W239 HydrophobicContact CZ-CZ3 4.19Å; F8-P240 HydrophobicContact CD2-CB 3.62Å; F8-P240 HydrophobicContact CD2-CG 3.76Å; F8-P240 HydrophobicContact CE2-CB 3.75Å; F8-P240 HydrophobicContact CE2-CG 4.08Å; F8-F243 HydrophobicContact CZ-CD1 4.36Å; F8-F243 HydrophobicContact CZ-CE1 4.49Å |
| 9 | L | 93.2 | Very high | 88.4 | Confident | 103 Ų | 103 | 72.9 Ų | 72.9 | 54% | 0.539 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.5 | -38.9 | -178.6 | -69.1 | 173.8 | 0 | 0 | 0 | 112.3 | V5 R6 V12 A13 | V5-L9 HydrophobicContact CG1-CD1 4.02Å; V5-L9 HydrophobicContact CG1-CG 4.41Å; V5-L9 WeakPolarHBondContact O-CG 3.3Å; V5-L9 PolarHBondContact O-N 3.12Å; R6-L9 PolarHBondContact O-N 2.8Å; L9-V12 PolarHBondContact O-N 3.33Å; L9-A13 WeakPolarHBondContact O-CB 3.36Å; L9-A13 PolarHBondContact O-N 3.41Å |
| 10 | Q | 92.5 | Very high | 88.5 | Confident | 114 Ų | 114 | 74.1 Ų | 74.1 | 53% | 0.533 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 176 | -76.7 | 174.1 | -10.5 | 0 | 0 | 112.3 | R6 A7 F8 A13 T14 | R6-Q10 HydrophobicContact CG-CG 4.42Å; R6-Q10 WeakPolarHBondContact O-CB 3Å; R6-Q10 WeakPolarHBondContact O-CG 3.27Å; R6-Q10 PolarHBondContact O-N 3.47Å; A7-Q10 PolarHBondContact O-N 2.81Å; F8-Q10 VanDerWaalsContact C-N 3.3Å; F8-Q10 PolarHBondContact O-N 2.88Å; Q10-A13 PolarHBondContact O-N 3.34Å; Q10-T14 WeakPolarHBondContact O-CB 3.34Å; Q10-T14 PolarHBondContact O-N 2.95Å; Q10-T14 PolarHBondContact O-OG1 3.43Å |
| 11 | N | 92.6 | Very high | 88.1 | Confident | 38 Ų | 38 | 75 Ų | 75 | 20% | 0.203 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 177.7 | -80.4 | -69.9 | 0 | 0 | 0 | 111.3 | A7 F8 T14 G15 P240 | A7-N11 PolarHBondContact O-N 2.85Å; A7-N11 PolarHBondContact O-ND2 2.77Å; F8-N11 PolarHBondContact O-N 3.33Å; F8-N11 VanDerWaalsContact O-N 3.16Å; N11-T14 PolarHBondContact O-N 3.19Å; N11-G15 PolarHBondContact O-N 3.37Å; N11-P240 HydrophobicContact CB-CB 3.72Å |
| 12 | V | 94.5 | Very high | 88.6 | Confident | 16 Ų | 16 | 65.7 Ų | 65.7 | 10% | 0.097 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.3 | -49.8 | 175.4 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | F8 L9 T14 G15 I16 P240 F243 G244 | F8-V12 HydrophobicContact CD1-CG2 4.38Å; F8-V12 HydrophobicContact CD2-CG2 4.32Å; F8-V12 HydrophobicContact CE1-CG2 3.93Å; F8-V12 HydrophobicContact CE2-CG2 3.82Å; F8-V12 HydrophobicContact CZ-CG2 3.63Å; F8-V12 WeakPolarHBondContact O-CG2 3.49Å; F8-V12 PolarHBondContact O-N 3Å; L9-V12 PolarHBondContact O-N 3.33Å; V12-T14 VanDerWaalsContact C-N 3.29Å; V12-T14 PolarHBondContact O-N 2.9Å; V12-G15 PolarHBondContact O-N 2.8Å; V12-G15 VanDerWaalsContact O-N 3.16Å; V12-I16 HydrophobicContact CG1-CD1 3.89Å; V12-I16 HydrophobicContact CG1-CG1 4.48Å; V12-I16 WeakPolarHBondContact O-CG1 3.44Å; V12-I16 PolarHBondContact O-N 2.92Å; V12-P240 WeakPolarHBondContact CA-O 3.35Å; V12-P240 HydrophobicContact CG2-CB 4.18Å; V12-P240 WeakPolarHBondContact CG2-O 3.48Å; V12-F243 HydrophobicContact CG1-CD1 4.43Å; V12-F243 HydrophobicContact CG2-CD1 3.91Å; V12-F243 HydrophobicContact CG2-CE1 4.48Å; V12-G244 WeakPolarHBondContact O-CA 3.29Å |
| 13 | A | 94.2 | Very high | 88.5 | Confident | 55 Ų | 55 | 63.4 Ų | 63.4 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.7 | -37.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L9 Q10 K17 | L9-A13 WeakPolarHBondContact O-CB 3.36Å; L9-A13 PolarHBondContact O-N 3.41Å; Q10-A13 PolarHBondContact O-N 3.34Å; A13-K17 WeakPolarHBondContact O-CB 3.39Å; A13-K17 PolarHBondContact O-N 3.35Å |
| 14 | T | 93.2 | Very high | 87.9 | Confident | 65 Ų | 65 | 60.6 Ų | 60.6 | 40% | 0.399 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.9 | -43.1 | 175.4 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | Q10 N11 V12 K17 D18 Y241 | Q10-T14 WeakPolarHBondContact O-CB 3.34Å; Q10-T14 PolarHBondContact O-N 2.95Å; Q10-T14 PolarHBondContact O-OG1 3.43Å; N11-T14 PolarHBondContact O-N 3.19Å; V12-T14 VanDerWaalsContact C-N 3.29Å; V12-T14 PolarHBondContact O-N 2.9Å; T14-K17 PolarHBondContact O-N 2.85Å; T14-D18 WeakPolarHBondContact O-CB 3.45Å; T14-D18 PolarHBondContact O-N 2.88Å; T14-Y241 HydrophobicContact CG2-CD2 4.34Å; T14-Y241 HydrophobicContact CG2-CE2 4.13Å |
| 15 | G | 93.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.3 | -48.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N11 V12 K17 D18 S19 F245 | N11-G15 PolarHBondContact O-N 3.37Å; V12-G15 PolarHBondContact O-N 2.8Å; V12-G15 VanDerWaalsContact O-N 3.16Å; G15-K17 VanDerWaalsContact C-N 3.31Å; G15-K17 PolarHBondContact O-N 3.3Å; G15-D18 PolarHBondContact O-N 3.34Å; G15-S19 PolarHBondContact O-N 3.49Å; G15-S19 PolarHBondContact O-OG 3.16Å; G15-F245 WeakPolarHBondContact O-CA 3.47Å |
| 16 | I | 94.8 | Very high | 86.5 | Confident | 52 Ų | 52 | 57 Ų | 57 | 27% | 0.267 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 177.2 | -65.7 | 169 | 0 | 0 | 0 | 110.7 | V12 S19 I20 G244 L247 P248 | V12-I16 HydrophobicContact CG1-CD1 3.89Å; V12-I16 HydrophobicContact CG1-CG1 4.48Å; V12-I16 WeakPolarHBondContact O-CG1 3.44Å; V12-I16 PolarHBondContact O-N 2.92Å; I16-S19 PolarHBondContact O-N 3.12Å; I16-S19 PolarHBondContact O-OG 3.15Å; I16-I20 HydrophobicContact CG2-CD1 3.91Å; I16-I20 WeakPolarHBondContact O-CG1 3.24Å; I16-I20 PolarHBondContact O-N 3.02Å; I16-G244 WeakPolarHBondContact CA-O 3.5Å; I16-G244 WeakPolarHBondContact CG1-O 3.49Å; I16-G244 PolarHBondContact N-O 2.96Å; I16-L247 HydrophobicContact CD1-CD2 4.12Å; I16-P248 HydrophobicContact CG1-CG 4.39Å; I16-P248 HydrophobicContact CG2-CG 4.13Å |
| 17 | K | 92.5 | Very high | 85.5 | Confident | 124 Ų | 124 | 54.3 Ų | 54.3 | 54% | 0.539 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 178.5 | 175.4 | -177.1 | 174.7 | -174.3 | 0 | 111.1 | A13 T14 G15 I20 L21 | A13-K17 WeakPolarHBondContact O-CB 3.39Å; A13-K17 PolarHBondContact O-N 3.35Å; T14-K17 PolarHBondContact O-N 2.85Å; G15-K17 VanDerWaalsContact C-N 3.31Å; G15-K17 PolarHBondContact O-N 3.3Å; K17-I20 PolarHBondContact O-N 3.38Å; K17-L21 HydrophobicContact CD-CD1 4.04Å; K17-L21 HydrophobicContact CG-CD1 3.45Å; K17-L21 VanDerWaalsContact CG-CD1 3.45Å; K17-L21 HydrophobicContact CG-CG 4.01Å; K17-L21 VanDerWaalsContact O-CB 3.25Å; K17-L21 WeakPolarHBondContact O-CB 3.36Å; K17-L21 VanDerWaalsContact O-CG 3.27Å; K17-L21 WeakPolarHBondContact O-CG 3.4Å; K17-L21 PolarHBondContact O-N 2.9Å |
| 18 | D | 90.5 | Very high | 84.7 | Confident | 30 Ų | 30 | 59.5 Ų | 59.5 | 16% | 0.16 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.4 | -37.1 | -178.7 | -78.3 | -2.7 | 0 | 0 | 0 | 112 | T14 G15 I20 G22 Y241 F245 A280 | T14-D18 WeakPolarHBondContact O-CB 3.45Å; T14-D18 PolarHBondContact O-N 2.88Å; G15-D18 PolarHBondContact O-N 3.34Å; D18-I20 VanDerWaalsContact C-N 3.32Å; D18-I20 PolarHBondContact O-N 3.29Å; D18-G22 PolarHBondContact O-N 3.49Å; D18-Y241 PolarHBondContact OD2-OH 2.91Å; D18-F245 HydrophobicContact CB-CD2 4.33Å; D18-A280 HydrophobicContact CB-CB 4.12Å |
| 19 | S | 90.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.7 | -34.8 | 179 | 68.1 | 0 | 0 | 0 | 0 | 112.8 | G15 I16 F245 S276 | G15-S19 PolarHBondContact O-N 3.49Å; G15-S19 PolarHBondContact O-OG 3.16Å; I16-S19 PolarHBondContact O-N 3.12Å; I16-S19 PolarHBondContact O-OG 3.15Å; S19-F245 WeakPolarHBondContact CB-O 3.5Å; S19-F245 PolarHBondContact OG-O 2.96Å; S19-S276 WeakPolarHBondContact O-CB 3.3Å; S19-S276 PolarHBondContact O-OG 2.86Å |
| 20 | I | 88.8 | Confident | 82.6 | Confident | 96 Ų | 96 | 54.3 Ų | 54.3 | 49% | 0.492 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -84.6 | -45 | 178.5 | -60.5 | 170 | 0 | 0 | 0 | 111.8 | I16 K17 D18 G22 I23 | I16-I20 HydrophobicContact CG2-CD1 3.91Å; I16-I20 WeakPolarHBondContact O-CG1 3.24Å; I16-I20 PolarHBondContact O-N 3.02Å; K17-I20 PolarHBondContact O-N 3.38Å; D18-I20 VanDerWaalsContact C-N 3.32Å; D18-I20 PolarHBondContact O-N 3.29Å; I20-G22 VanDerWaalsContact C-N 3.29Å; I20-G22 PolarHBondContact O-N 2.9Å; I20-I23 WeakPolarHBondContact O-CB 3.32Å; I20-I23 PolarHBondContact O-N 3.11Å; I20-I23 VanDerWaalsContact O-N 3.16Å |
| 21 | L | 81.6 | Confident | 81.6 | Confident | 94 Ų | 94 | 51.3 Ų | 51.3 | 49% | 0.492 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65 | -33.1 | -175.9 | -76.5 | -177.3 | 0 | 0 | 0 | 112.9 | K17 I23 G24 T25 | K17-L21 HydrophobicContact CD-CD1 4.04Å; K17-L21 HydrophobicContact CG-CD1 3.45Å; K17-L21 VanDerWaalsContact CG-CD1 3.45Å; K17-L21 HydrophobicContact CG-CG 4.01Å; K17-L21 VanDerWaalsContact O-CB 3.25Å; K17-L21 WeakPolarHBondContact O-CB 3.36Å; K17-L21 VanDerWaalsContact O-CG 3.27Å; K17-L21 WeakPolarHBondContact O-CG 3.4Å; K17-L21 PolarHBondContact O-N 2.9Å; L21-I23 PolarHBondContact O-N 3.34Å; L21-G24 PolarHBondContact O-N 2.8Å; L21-T25 PolarHBondContact O-N 2.76Å; L21-T25 VanDerWaalsContact O-N 3.16Å |
| 22 | G | 71.1 | Confident | 80.7 | Confident | 5 Ų | 5 | 56 Ų | 56 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.7 | -26.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D18 I20 T25 S276 | D18-G22 PolarHBondContact O-N 3.49Å; I20-G22 VanDerWaalsContact C-N 3.29Å; I20-G22 PolarHBondContact O-N 2.9Å; G22-T25 WeakPolarHBondContact CA-OG1 3.12Å; G22-T25 PolarHBondContact O-N 2.7Å; G22-T25 PolarHBondContact O-OG1 2.88Å; G22-S276 VanDerWaalsContact CA-OG 3.31Å; G22-S276 WeakPolarHBondContact CA-OG 3.46Å |
| 23 | I | 71.5 | Confident | 79.5 | Confident | 57 Ų | 57 | 56.8 Ų | 56.8 | 29% | 0.292 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -71.8 | -39.6 | 174 | -53.1 | -179.8 | 0 | 0 | 0 | 109.9 | I20 L21 T25 I26 L272 F273 S276 | I20-I23 WeakPolarHBondContact O-CB 3.32Å; I20-I23 PolarHBondContact O-N 3.11Å; I20-I23 VanDerWaalsContact O-N 3.16Å; L21-I23 PolarHBondContact O-N 3.34Å; I23-T25 VanDerWaalsContact C-N 3.27Å; I23-T25 PolarHBondContact O-N 2.99Å; I23-I26 HydrophobicContact CG2-CD1 4.12Å; I23-I26 VanDerWaalsContact O-CD1 3.32Å; I23-I26 WeakPolarHBondContact O-CD1 3.28Å; I23-I26 WeakPolarHBondContact O-CG1 3.37Å; I23-I26 PolarHBondContact O-N 2.95Å; I23-L272 HydrophobicContact CD1-CB 4.08Å; I23-L272 HydrophobicContact CG1-CB 4.14Å; I23-F273 HydrophobicContact CD1-CD2 4.47Å; I23-F273 HydrophobicContact CD1-CE2 4.28Å; I23-S276 PolarHBondContact N-OG 2.87Å |
| 24 | G | 70.4 | Confident | 78.4 | Confident | 61 Ų | 61 | 57.9 Ų | 57.9 | 63% | 0.629 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -71.1 | -17.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L21 | L21-G24 PolarHBondContact O-N 2.8Å |
| 25 | T | 70.7 | Confident | 77.5 | Confident | 37 Ų | 37 | 60.4 Ų | 60.4 | 23% | 0.227 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -1.8 | 177.2 | 53.7 | 0 | 0 | 0 | 0 | 113.8 | L21 G22 I23 S27 K28 L29 | L21-T25 PolarHBondContact O-N 2.76Å; L21-T25 VanDerWaalsContact O-N 3.16Å; G22-T25 WeakPolarHBondContact CA-OG1 3.12Å; G22-T25 PolarHBondContact O-N 2.7Å; G22-T25 PolarHBondContact O-OG1 2.88Å; I23-T25 VanDerWaalsContact C-N 3.27Å; I23-T25 PolarHBondContact O-N 2.99Å; T25-S27 VanDerWaalsContact C-N 3.3Å; T25-S27 PolarHBondContact O-N 3.42Å; T25-K28 CarbonylContact O-C 3.57Å; T25-K28 WeakPolarHBondContact O-CA 3.41Å; T25-K28 WeakPolarHBondContact O-CB 3.31Å; T25-K28 PolarHBondContact O-N 3.34Å; T25-L29 PolarHBondContact O-N 3.3Å |
| 26 | I | 70.7 | Confident | 76.4 | Confident | 21 Ų | 21 | 64.8 Ų | 64.8 | 11% | 0.108 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -52.9 | -45.7 | 179.6 | -68.6 | 171 | 0 | 0 | 0 | 111.6 | I23 K28 L29 D30 A68 I71 L272 I275 | I23-I26 HydrophobicContact CG2-CD1 4.12Å; I23-I26 VanDerWaalsContact O-CD1 3.32Å; I23-I26 WeakPolarHBondContact O-CD1 3.28Å; I23-I26 WeakPolarHBondContact O-CG1 3.37Å; I23-I26 PolarHBondContact O-N 2.95Å; I26-K28 VanDerWaalsContact C-N 3.3Å; I26-K28 PolarHBondContact O-N 3.28Å; I26-L29 WeakPolarHBondContact O-CB 3.19Å; I26-L29 PolarHBondContact O-N 3.1Å; I26-D30 WeakPolarHBondContact O-CB 3.43Å; I26-D30 PolarHBondContact O-N 2.83Å; I26-A68 HydrophobicContact CG2-CB 3.72Å; I26-I71 HydrophobicContact CG2-CD1 4.25Å; I26-L272 HydrophobicContact CD1-CD2 3.88Å; I26-I275 HydrophobicContact CD1-CD1 4.17Å; I26-I275 HydrophobicContact CG1-CD1 4.25Å; I26-I275 HydrophobicContact CG1-CG2 4.14Å |
| 27 | S | 67.9 | Low | 75.2 | Confident | 91 Ų | 91 | 66.8 Ų | 66.8 | 64% | 0.636 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.3 | -32.8 | 178.5 | -52.5 | 0 | 0 | 0 | 0 | 112.9 | T25 A31 | T25-S27 VanDerWaalsContact C-N 3.3Å; T25-S27 PolarHBondContact O-N 3.42Å; S27-A31 PolarHBondContact O-N 3.08Å; S27-A31 VanDerWaalsContact O-N 3.1Å |
| 28 | K | 73.4 | Confident | 74.3 | Confident | 138 Ų | 138 | 64.9 Ų | 64.9 | 60% | 0.6 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -73.8 | -37 | 175.3 | -66.7 | -178.5 | -179.2 | 176.4 | 0 | 111.3 | T25 I26 A31 R32 | T25-K28 CarbonylContact O-C 3.57Å; T25-K28 WeakPolarHBondContact O-CA 3.41Å; T25-K28 WeakPolarHBondContact O-CB 3.31Å; T25-K28 PolarHBondContact O-N 3.34Å; I26-K28 VanDerWaalsContact C-N 3.3Å; I26-K28 PolarHBondContact O-N 3.28Å; K28-A31 PolarHBondContact O-N 2.99Å; K28-R32 WeakPolarHBondContact O-CG 3.45Å; K28-R32 PolarHBondContact O-N 3.27Å |
| 29 | L | 69.9 | Low | 73.7 | Confident | 35 Ų | 35 | 67.3 Ų | 67.3 | 18% | 0.183 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 174.7 | -178.3 | 63.3 | 0 | 0 | 0 | 110.5 | T25 I26 A31 R32 I33 I275 | T25-L29 PolarHBondContact O-N 3.3Å; I26-L29 WeakPolarHBondContact O-CB 3.19Å; I26-L29 PolarHBondContact O-N 3.1Å; L29-A31 VanDerWaalsContact C-N 3.34Å; L29-A31 PolarHBondContact O-N 2.76Å; L29-R32 PolarHBondContact O-N 3.05Å; L29-I33 HydrophobicContact CD1-CD1 4.21Å; L29-I33 HydrophobicContact CD1-CG1 4.45Å; L29-I33 HydrophobicContact CG-CD1 3.94Å; L29-I33 VanDerWaalsContact O-CG1 3.31Å; L29-I33 WeakPolarHBondContact O-CG1 3.29Å; L29-I33 PolarHBondContact O-N 2.9Å; L29-I275 HydrophobicContact CD2-CG2 3.93Å |
| 30 | D | 69.4 | Low | 72.8 | Confident | 12 Ų | 12 | 69.3 Ų | 69.3 | 6% | 0.064 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.8 | -46.2 | 174.7 | -166.7 | 55.4 | 0 | 0 | 0 | 111.1 | I26 R32 I33 Q34 R66 V67 | I26-D30 WeakPolarHBondContact O-CB 3.43Å; I26-D30 PolarHBondContact O-N 2.83Å; D30-R32 PolarHBondContact O-N 3.11Å; D30-I33 PolarHBondContact O-N 3.44Å; D30-Q34 WeakPolarHBondContact O-CB 3.31Å; D30-Q34 WeakPolarHBondContact O-CG 3.35Å; D30-Q34 PolarHBondContact O-N 3.43Å; D30-R66 VanDerWaalsContact OD2-CB 3.23Å; D30-R66 WeakPolarHBondContact OD2-CB 3.48Å; D30-R66 VanDerWaalsContact OD2-CD 3.31Å; D30-R66 WeakPolarHBondContact OD2-CD 3.14Å; D30-R66 WeakPolarHBondContact OD2-CG 3.32Å; D30-V67 WeakPolarHBondContact OD1-CB 3.23Å; D30-V67 PolarHBondContact OD1-N 2.81Å |
| 31 | A | 72.5 | Confident | 71.8 | Confident | 51 Ų | 51 | 69.9 Ų | 69.9 | 42% | 0.421 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | S27 K28 L29 Q34 Q35 | S27-A31 PolarHBondContact O-N 3.08Å; S27-A31 VanDerWaalsContact O-N 3.1Å; K28-A31 PolarHBondContact O-N 2.99Å; L29-A31 VanDerWaalsContact C-N 3.34Å; L29-A31 PolarHBondContact O-N 2.76Å; A31-Q34 PolarHBondContact O-N 2.87Å; A31-Q35 VanDerWaalsContact O-CB 3.32Å; A31-Q35 WeakPolarHBondContact O-CB 3.42Å; A31-Q35 PolarHBondContact O-N 3.3Å |
| 32 | R | 73.3 | Confident | 71.3 | Confident | 136 Ų | 136 | 75 Ų | 75 | 51% | 0.513 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 176.2 | -74 | 173.9 | -177.6 | 167.1 | 2.5 | 112.2 | K28 L29 D30 K36 E279 | K28-R32 WeakPolarHBondContact O-CG 3.45Å; K28-R32 PolarHBondContact O-N 3.27Å; L29-R32 PolarHBondContact O-N 3.05Å; D30-R32 PolarHBondContact O-N 3.11Å; R32-K36 PolarHBondContact O-N 3.12Å; R32-K36 VanDerWaalsContact O-N 3.08Å; R32-E279 IonicContact NH1-OE2 3.31Å; R32-E279 PolarHBondContact NH1-OE2 3.47Å |
| 33 | I | 68.9 | Low | 71.4 | Confident | 33 Ų | 33 | 84 Ų | 84 | 17% | 0.169 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.7 | -46.1 | 178.3 | -69.5 | 170 | 0 | 0 | 0 | 109.6 | L29 D30 K36 R37 V67 I149 | L29-I33 HydrophobicContact CD1-CD1 4.21Å; L29-I33 HydrophobicContact CD1-CG1 4.45Å; L29-I33 HydrophobicContact CG-CD1 3.94Å; L29-I33 VanDerWaalsContact O-CG1 3.31Å; L29-I33 WeakPolarHBondContact O-CG1 3.29Å; L29-I33 PolarHBondContact O-N 2.9Å; D30-I33 PolarHBondContact O-N 3.44Å; I33-K36 PolarHBondContact O-N 3.43Å; I33-R37 WeakPolarHBondContact O-CB 3.4Å; I33-R37 PolarHBondContact O-N 3.08Å; I33-V67 HydrophobicContact CD1-CG2 4Å; I33-V67 HydrophobicContact CG2-CG2 4.3Å; I33-I149 HydrophobicContact CD1-CG2 4.24Å |
| 34 | Q | 70.7 | Confident | 71.1 | Confident | 77 Ų | 77 | 89.1 Ų | 89.1 | 36% | 0.36 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.6 | -48.8 | 176.3 | -74 | -169 | -27.3 | 0 | 0 | 111.9 | D30 A31 K36 R37 D38 | D30-Q34 WeakPolarHBondContact O-CB 3.31Å; D30-Q34 WeakPolarHBondContact O-CG 3.35Å; D30-Q34 PolarHBondContact O-N 3.43Å; A31-Q34 PolarHBondContact O-N 2.87Å; Q34-K36 VanDerWaalsContact C-N 3.33Å; Q34-K36 PolarHBondContact O-N 3.17Å; Q34-R37 WeakPolarHBondContact O-CB 3.34Å; Q34-R37 PolarHBondContact O-N 2.98Å; Q34-R37 VanDerWaalsContact O-N 3.11Å; Q34-D38 PolarHBondContact O-N 3.34Å |
| 35 | Q | 75.6 | Confident | 70.7 | Confident | 118 Ų | 118 | 88.2 Ų | 88.2 | 55% | 0.551 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -57 | -46.1 | 178.9 | -175.5 | -174.6 | -18.7 | 0 | 0 | 111.8 | A31 R37 D38 E39 | A31-Q35 VanDerWaalsContact O-CB 3.32Å; A31-Q35 WeakPolarHBondContact O-CB 3.42Å; A31-Q35 PolarHBondContact O-N 3.3Å; Q35-R37 VanDerWaalsContact C-N 3.34Å; Q35-R37 PolarHBondContact O-N 2.91Å; Q35-D38 PolarHBondContact O-N 3.2Å; Q35-E39 PolarHBondContact NE2-OE1 2.82Å; Q35-E39 VanDerWaalsContact NE2-OE1 3.12Å; Q35-E39 WeakPolarHBondContact O-CG 3.31Å; Q35-E39 PolarHBondContact O-N 3.25Å |
| 36 | K | 70.5 | Confident | 70.5 | Confident | 93 Ų | 93 | 90.8 Ų | 90.8 | 40% | 0.404 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.8 | -36.1 | 177.9 | -78.4 | -168.7 | 176.1 | 178.7 | 0 | 112.8 | R32 I33 Q34 D38 E39 Q40 V156 | R32-K36 PolarHBondContact O-N 3.12Å; R32-K36 VanDerWaalsContact O-N 3.08Å; I33-K36 PolarHBondContact O-N 3.43Å; Q34-K36 VanDerWaalsContact C-N 3.33Å; Q34-K36 PolarHBondContact O-N 3.17Å; K36-D38 VanDerWaalsContact C-N 3.31Å; K36-E39 PolarHBondContact O-N 2.97Å; K36-Q40 WeakPolarHBondContact O-CB 3.42Å; K36-Q40 PolarHBondContact O-N 2.82Å; K36-V156 HydrophobicContact CD-CB 4.37Å; K36-V156 HydrophobicContact CD-CG1 3.92Å; K36-V156 HydrophobicContact CD-CG2 3.92Å |
| 37 | R | 68.9 | Low | 70.6 | Confident | 94 Ų | 94 | 91.4 Ų | 91.4 | 36% | 0.355 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 174.9 | -163.8 | 176 | -156.2 | 167 | 5.5 | 111.4 | I33 Q34 Q35 Q40 R41 E64 | I33-R37 WeakPolarHBondContact O-CB 3.4Å; I33-R37 PolarHBondContact O-N 3.08Å; Q34-R37 WeakPolarHBondContact O-CB 3.34Å; Q34-R37 PolarHBondContact O-N 2.98Å; Q34-R37 VanDerWaalsContact O-N 3.11Å; Q35-R37 VanDerWaalsContact C-N 3.34Å; Q35-R37 PolarHBondContact O-N 2.91Å; R37-Q40 PolarHBondContact O-N 2.65Å; R37-R41 WeakPolarHBondContact O-CB 3.18Å; R37-R41 WeakPolarHBondContact O-CG 3.43Å; R37-R41 PolarHBondContact O-N 2.9Å; R37-E64 IonicContact CZ-OE1 2.99Å; R37-E64 VanDerWaalsContact CZ-OE1 3.22Å; R37-E64 IonicContact CZ-OE2 2.76Å; R37-E64 IonicContact NE-OE2 3.58Å; R37-E64 IonicContact NH1-OE1 3.23Å; R37-E64 PolarHBondContact NH1-OE1 2.78Å; R37-E64 IonicContact NH1-OE2 3.55Å; R37-E64 PolarHBondContact NH1-OE2 3.38Å; R37-E64 IonicContact NH2-OE1 3.22Å; R37-E64 PolarHBondContact NH2-OE1 3.41Å; R37-E64 IonicContact NH2-OE2 2.78Å; R37-E64 PolarHBondContact NH2-OE2 2.79Å |
| 38 | D | 74.4 | Confident | 70.2 | Confident | 84 Ų | 84 | 91.3 Ų | 91.3 | 45% | 0.449 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.3 | -40.6 | 175.6 | -69.4 | -21.1 | 0 | 0 | 0 | 111.8 | Q34 Q35 K36 R41 R42 | Q34-D38 PolarHBondContact O-N 3.34Å; Q35-D38 PolarHBondContact O-N 3.2Å; K36-D38 VanDerWaalsContact C-N 3.31Å; D38-R41 PolarHBondContact O-N 3.48Å; D38-R42 WeakPolarHBondContact O-CB 3.44Å; D38-R42 WeakPolarHBondContact O-CG 3.25Å; D38-R42 PolarHBondContact O-N 2.94Å |
| 39 | E | 77.2 | Confident | 69.6 | Low | 81 Ų | 81 | 91.2 Ų | 91.2 | 38% | 0.379 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 172.5 | -74.9 | 173.7 | -164.9 | 0 | 0 | 111.7 | Q35 K36 R42 R43 | Q35-E39 PolarHBondContact NE2-OE1 2.82Å; Q35-E39 VanDerWaalsContact NE2-OE1 3.12Å; Q35-E39 WeakPolarHBondContact O-CG 3.31Å; Q35-E39 PolarHBondContact O-N 3.25Å; K36-E39 PolarHBondContact O-N 2.97Å; E39-R42 PolarHBondContact O-N 3.25Å; E39-R43 WeakPolarHBondContact O-CG 3.26Å; E39-R43 PolarHBondContact O-N 3.42Å |
| 40 | Q | 70.9 | Confident | 69.1 | Low | 42 Ų | 42 | 91.1 Ų | 91.1 | 20% | 0.196 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -67.9 | -38.5 | 177.4 | -154.8 | -179 | 12.2 | 0 | 0 | 111.3 | K36 R37 R43 R44 E155 | K36-Q40 WeakPolarHBondContact O-CB 3.42Å; K36-Q40 PolarHBondContact O-N 2.82Å; R37-Q40 PolarHBondContact O-N 2.65Å; Q40-R43 PolarHBondContact O-N 3.14Å; Q40-R44 WeakPolarHBondContact O-CB 3.39Å; Q40-R44 WeakPolarHBondContact O-CG 3.5Å; Q40-R44 PolarHBondContact O-N 3.46Å; Q40-E155 PolarHBondContact NE2-OE1 3.03Å; Q40-E155 PolarHBondContact NE2-OE2 3.21Å; Q40-E155 VanDerWaalsContact NE2-OE2 3.16Å |
| 41 | R | 67.9 | Low | 68.6 | Low | 108 Ų | 108 | 96.6 Ų | 96.6 | 41% | 0.408 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60 | -46.9 | 170.9 | -81.2 | -178.2 | -169.2 | -167 | -1.2 | 111.3 | R37 D38 R43 R44 A45 D62 E64 | R37-R41 WeakPolarHBondContact O-CB 3.18Å; R37-R41 WeakPolarHBondContact O-CG 3.43Å; R37-R41 PolarHBondContact O-N 2.9Å; D38-R41 PolarHBondContact O-N 3.48Å; R41-R43 VanDerWaalsContact C-N 3.33Å; R41-R43 PolarHBondContact O-N 3.37Å; R41-R44 PolarHBondContact O-N 3.23Å; R41-A45 VanDerWaalsContact O-CB 3.3Å; R41-A45 WeakPolarHBondContact O-CB 3.42Å; R41-A45 PolarHBondContact O-N 2.94Å; R41-D62 IonicContact CZ-OD2 3.75Å; R41-D62 IonicContact NH2-OD2 2.8Å; R41-D62 PolarHBondContact NH2-OD2 3.06Å; R41-D62 VanDerWaalsContact NH2-OD2 3.15Å; R41-E64 IonicContact NH2-OE2 3.97Å |
| 42 | R | 71.9 | Confident | 68.1 | Low | 202 Ų | 202 | 104.3 Ų | 104.3 | 76% | 0.762 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.7 | -43.1 | 176.8 | -75.5 | -179.8 | -177.8 | -152.5 | 1.5 | 111.8 | D38 E39 A45 S46 | D38-R42 WeakPolarHBondContact O-CB 3.44Å; D38-R42 WeakPolarHBondContact O-CG 3.25Å; D38-R42 PolarHBondContact O-N 2.94Å; E39-R42 PolarHBondContact O-N 3.25Å; R42-A45 PolarHBondContact O-N 3.19Å; R42-S46 PolarHBondContact O-N 2.85Å |
| 43 | R | 72.1 | Confident | 67.3 | Low | 192 Ų | 192 | 106.2 Ų | 106.2 | 73% | 0.725 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.6 | -37.3 | 175.2 | -72.5 | 178.9 | -177.6 | -170.8 | 2.7 | 113.1 | E39 Q40 R41 S46 | E39-R43 WeakPolarHBondContact O-CG 3.26Å; E39-R43 PolarHBondContact O-N 3.42Å; Q40-R43 PolarHBondContact O-N 3.14Å; R41-R43 VanDerWaalsContact C-N 3.33Å; R41-R43 PolarHBondContact O-N 3.37Å; R43-S46 PolarHBondContact O-OG 2.91Å |
| 44 | R | 65.3 | Low | 66.6 | Low | 166 Ų | 166 | 106.7 Ų | 106.7 | 63% | 0.626 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -70.7 | -38.9 | 174.9 | -72.3 | 177.7 | -173.2 | -179.3 | 5 | 111.3 | Q40 R41 S46 G47 A50 | Q40-R44 WeakPolarHBondContact O-CB 3.39Å; Q40-R44 WeakPolarHBondContact O-CG 3.5Å; Q40-R44 PolarHBondContact O-N 3.46Å; R41-R44 PolarHBondContact O-N 3.23Å; R44-S46 VanDerWaalsContact C-N 3.32Å; R44-S46 PolarHBondContact O-N 3.46Å; R44-G47 PolarHBondContact O-N 3.22Å; R44-A50 WeakPolarHBondContact O-CB 3.48Å |
| 45 | A | 63 | Low | 65.9 | Low | 42 Ų | 42 | 110.5 Ų | 110.5 | 35% | 0.347 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.6 | -25 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R41 R42 G47 | R41-A45 VanDerWaalsContact O-CB 3.3Å; R41-A45 WeakPolarHBondContact O-CB 3.42Å; R41-A45 PolarHBondContact O-N 2.94Å; R42-A45 PolarHBondContact O-N 3.19Å; A45-G47 PolarHBondContact O-N 2.84Å |
| 46 | S | 65.6 | Low | 64.7 | Low | 91 Ų | 91 | 109.9 Ų | 109.9 | 64% | 0.636 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -4.8 | 176.9 | 64.2 | 0 | 0 | 0 | 0 | 114.5 | R42 R43 R44 | R42-S46 PolarHBondContact O-N 2.85Å; R43-S46 PolarHBondContact O-OG 2.91Å; R44-S46 VanDerWaalsContact C-N 3.32Å; R44-S46 PolarHBondContact O-N 3.46Å |
| 47 | G | 72.9 | Confident | 63.9 | Low | 34 Ų | 34 | 112.5 Ų | 112.5 | 35% | 0.351 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -77.9 | 129.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R44 A45 L49 A50 Q51 | R44-G47 PolarHBondContact O-N 3.22Å; A45-G47 PolarHBondContact O-N 2.84Å; G47-L49 PolarHBondContact O-N 3.23Å; G47-A50 WeakPolarHBondContact O-CA 3.44Å; G47-A50 WeakPolarHBondContact O-CB 3.23Å; G47-A50 PolarHBondContact O-N 2.82Å; G47-Q51 PolarHBondContact O-N 3.07Å |
| 48 | A | 60.2 | Low | 62.9 | Low | 88 Ų | 88 | 116.1 Ų | 116.1 | 73% | 0.727 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -54.3 | -25.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 49 | L | 61.4 | Low | 61.5 | Low | 137 Ų | 137 | 123.6 Ų | 123.6 | 72% | 0.717 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -82.5 | -27.1 | 174.5 | -100.2 | 147.2 | 0 | 0 | 0 | 113.8 | G47 | G47-L49 PolarHBondContact O-N 3.23Å |
| 50 | A | 57.6 | Low | 59.7 | Low | 33 Ų | 33 | 128.2 Ų | 128.2 | 27% | 0.273 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -78.9 | -31.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R44 G47 R52 R53 A54 | R44-A50 WeakPolarHBondContact O-CB 3.48Å; G47-A50 WeakPolarHBondContact O-CA 3.44Å; G47-A50 WeakPolarHBondContact O-CB 3.23Å; G47-A50 PolarHBondContact O-N 2.82Å; A50-R52 VanDerWaalsContact C-N 3.27Å; A50-R52 PolarHBondContact O-N 3.3Å; A50-R53 PolarHBondContact O-N 3.33Å; A50-R53 VanDerWaalsContact O-N 3.14Å; A50-A54 VanDerWaalsContact O-CB 3.25Å; A50-A54 WeakPolarHBondContact O-CB 3.18Å; A50-A54 PolarHBondContact O-N 2.79Å |
| 51 | Q | 60.6 | Low | 58.4 | Low | 126 Ų | 126 | 131.3 Ų | 131.3 | 59% | 0.589 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -62 | -33.8 | 175.9 | -136.4 | 165.1 | -6.3 | 0 | 0 | 112.4 | G47 | G47-Q51 PolarHBondContact O-N 3.07Å |
| 52 | R | 60.3 | Low | 57.4 | Low | 213 Ų | 213 | 130.8 Ų | 130.8 | 80% | 0.804 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74 | -29 | 173 | -86.5 | -171.7 | -177.4 | -178 | 1.8 | 114.4 | A50 | A50-R52 VanDerWaalsContact C-N 3.27Å; A50-R52 PolarHBondContact O-N 3.3Å |
| 53 | R | 58.1 | Low | 56.3 | Low | 176 Ų | 176 | 128.4 Ų | 128.4 | 66% | 0.664 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -84.4 | -33.5 | 175.2 | -75.8 | -177.3 | -176.2 | 153.3 | 1.4 | 112.3 | A50 Q55 S56 E57 | A50-R53 PolarHBondContact O-N 3.33Å; A50-R53 VanDerWaalsContact O-N 3.14Å; R53-Q55 VanDerWaalsContact C-N 3.31Å; R53-Q55 PolarHBondContact O-N 2.99Å; R53-S56 WeakPolarHBondContact O-CA 3.47Å; R53-S56 WeakPolarHBondContact O-CB 3.21Å; R53-S56 PolarHBondContact O-N 3.4Å; R53-E57 PolarHBondContact O-N 3.29Å; R53-E57 VanDerWaalsContact O-N 3.12Å |
| 54 | A | 53.6 | Low | 55.4 | Low | 44 Ų | 44 | 122.3 Ų | 122.3 | 36% | 0.364 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -60.7 | -37.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A50 S56 E57 E58 | A50-A54 VanDerWaalsContact O-CB 3.25Å; A50-A54 WeakPolarHBondContact O-CB 3.18Å; A50-A54 PolarHBondContact O-N 2.79Å; A54-S56 PolarHBondContact O-N 3.17Å; A54-E57 PolarHBondContact O-N 3.06Å; A54-E58 PolarHBondContact O-N 3.41Å |
| 55 | Q | 55 | Low | 54.8 | Low | 157 Ų | 157 | 117 Ų | 117 | 73% | 0.734 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.1 | -20.2 | 172.4 | -74 | -177.6 | -19.1 | 0 | 0 | 113.7 | R53 | R53-Q55 VanDerWaalsContact C-N 3.31Å; R53-Q55 PolarHBondContact O-N 2.99Å |
| 56 | S | 52.3 | Low | 54.9 | Low | 105 Ų | 105 | 122.6 Ų | 122.6 | 73% | 0.734 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -96.2 | -19.4 | 178.1 | -166.6 | 0 | 0 | 0 | 0 | 113.6 | R53 A54 | R53-S56 WeakPolarHBondContact O-CA 3.47Å; R53-S56 WeakPolarHBondContact O-CB 3.21Å; R53-S56 PolarHBondContact O-N 3.4Å; A54-S56 PolarHBondContact O-N 3.17Å |
| 57 | E | 52 | Low | 54.8 | Low | 148 Ų | 148 | 119.3 Ų | 119.3 | 69% | 0.692 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -103 | -4.5 | -177.1 | -83.8 | -174.9 | 132.9 | 0 | 0 | 114.4 | R53 A54 R59 K60 | R53-E57 PolarHBondContact O-N 3.29Å; R53-E57 VanDerWaalsContact O-N 3.12Å; A54-E57 PolarHBondContact O-N 3.06Å; E57-R59 PolarHBondContact O-N 3.4Å; E57-K60 PolarHBondContact O-N 2.93Å |
| 58 | E | 48.8 | Very low | 54.4 | Low | 170 Ų | 170 | 119.2 Ų | 119.2 | 79% | 0.794 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | 0.8 | -173.9 | -135 | 177.7 | 170.5 | 0 | 0 | 115.8 | A54 | A54-E58 PolarHBondContact O-N 3.41Š|
| 59 | R | 45.3 | Very low | 54.7 | Low | 240 Ų | 240 | 117.4 Ų | 117.4 | 91% | 0.906 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -5.5 | -178 | -113.4 | -179.4 | -175.9 | 176.9 | 1.8 | 116 | E57 P61 | E57-R59 PolarHBondContact O-N 3.4Å; R59-P61 VanDerWaalsContact O-CD 3.27Å; R59-P61 WeakPolarHBondContact O-CD 3.19Å |
| 60 | K | 39.4 | Very low | 54.9 | Low | 178 Ų | 178 | 114 Ų | 114 | 77% | 0.774 | 55% | 0.553 | S | S | * | * | trans | -103.1 | 103.1 | 178.7 | -144.9 | 177.4 | -174.4 | -176.5 | 0 | 109.9 | E57 D62 | E57-K60 PolarHBondContact O-N 2.93Å; K60-D62 PolarHBondContact O-N 3.49Å | ||
| 61 | P | 43.5 | Very low | 55.3 | Low | 107 Ų | 107 | 112.9 Ų | 112.9 | 70% | 0.695 | 54% | 0.542 | S | S | * | . | trans | -65.5 | 106.6 | 169.1 | 26.5 | -29.7 | 0 | 0 | 0 | 107.2 | R59 N63 | R59-P61 VanDerWaalsContact O-CD 3.27Å; R59-P61 WeakPolarHBondContact O-CD 3.19Å; P61-N63 PolarHBondContact O-N 3.37Å | ||
| 62 | D | 47.1 | Very low | 55.8 | Low | 97 Ų | 97 | 114.2 Ų | 114.2 | 52% | 0.519 | 55% | 0.546 | S | S | . | . | trans | -66.7 | 83.4 | 167.6 | -97.3 | -14.6 | 0 | 0 | 0 | 108.1 | R41 K60 E64 | R41-D62 IonicContact CZ-OD2 3.75Å; R41-D62 IonicContact NH2-OD2 2.8Å; R41-D62 PolarHBondContact NH2-OD2 3.06Å; R41-D62 VanDerWaalsContact NH2-OD2 3.15Å; K60-D62 PolarHBondContact O-N 3.49Å; D62-E64 PolarHBondContact O-N 3.16Å | ||
| 63 | N | 48.4 | Very low | 56.2 | Low | 153 Ų | 153 | 108.6 Ų | 108.6 | 82% | 0.818 | 53% | 0.529 | S | S | * | . | trans | -73.3 | 54.1 | 164.6 | -105.8 | -4.6 | 0 | 0 | 0 | 108.9 | P61 P65 | P61-N63 PolarHBondContact O-N 3.37Å; N63-P65 VanDerWaalsContact O-CD 3.24Å; N63-P65 WeakPolarHBondContact O-CD 3.21Å | ||
| 64 | E | 52.7 | Low | 56.7 | Low | 63 Ų | 63 | 100.8 Ų | 100.8 | 29% | 0.294 | 50% | 0.501 | S | S | . | . | trans | -67.2 | 119.5 | 171.1 | -83 | -177.5 | 98.3 | 0 | 0 | 108.2 | R37 R41 D62 R66 R70 | R37-E64 IonicContact CZ-OE1 2.99Å; R37-E64 VanDerWaalsContact CZ-OE1 3.22Å; R37-E64 IonicContact CZ-OE2 2.76Å; R37-E64 IonicContact NE-OE2 3.58Å; R37-E64 IonicContact NH1-OE1 3.23Å; R37-E64 PolarHBondContact NH1-OE1 2.78Å; R37-E64 IonicContact NH1-OE2 3.55Å; R37-E64 PolarHBondContact NH1-OE2 3.38Å; R37-E64 IonicContact NH2-OE1 3.22Å; R37-E64 PolarHBondContact NH2-OE1 3.41Å; R37-E64 IonicContact NH2-OE2 2.78Å; R37-E64 PolarHBondContact NH2-OE2 2.79Å; R41-E64 IonicContact NH2-OE2 3.97Å; D62-E64 PolarHBondContact O-N 3.16Å; E64-R66 PolarHBondContact O-N 3.27Å; E64-R70 IonicContact OE1-NH2 2.7Å | ||
| 65 | P | 53.7 | Low | 57.5 | Low | 56 Ų | 56 | 99.4 Ų | 99.4 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | trans | -62.2 | 133.8 | -173.7 | 16.4 | -23.8 | 0 | 0 | 0 | 109.3 | N63 R70 | N63-P65 VanDerWaalsContact O-CD 3.24Å; N63-P65 WeakPolarHBondContact O-CD 3.21Å; P65-R70 HydrophobicContact CB-CG 3.76Å; P65-R70 HydrophobicContact CG-CG 3.67Å; P65-R70 PolarHBondContact O-NE 3.44Å | ||
| 66 | R | 64.1 | Low | 58.4 | Low | 159 Ų | 159 | 94.2 Ų | 94.2 | 60% | 0.6 | 47% | 0.473 | S | S | * | . | trans | -43.8 | 139.4 | 171.8 | -73.7 | -178 | -175 | 167.3 | 1.9 | 109.8 | D30 E64 A68 S69 R70 | D30-R66 VanDerWaalsContact OD2-CB 3.23Å; D30-R66 WeakPolarHBondContact OD2-CB 3.48Å; D30-R66 VanDerWaalsContact OD2-CD 3.31Å; D30-R66 WeakPolarHBondContact OD2-CD 3.14Å; D30-R66 WeakPolarHBondContact OD2-CG 3.32Å; E64-R66 PolarHBondContact O-N 3.27Å; R66-A68 PolarHBondContact O-N 3.2Å; R66-A68 VanDerWaalsContact O-N 3.11Å; R66-S69 WeakPolarHBondContact O-CA 3.21Å; R66-S69 VanDerWaalsContact O-CB 3.29Å; R66-S69 WeakPolarHBondContact O-CB 3.43Å; R66-S69 PolarHBondContact O-N 3.43Å; R66-R70 PolarHBondContact O-N 3.42Å | ||
| 67 | V | 63.9 | Low | 59.3 | Low | 22 Ų | 22 | 97.8 Ų | 97.8 | 13% | 0.133 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -52.7 | -39.6 | -178.8 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | D30 I33 S69 R70 I71 W145 I149 | D30-V67 WeakPolarHBondContact OD1-CB 3.23Å; D30-V67 PolarHBondContact OD1-N 2.81Å; I33-V67 HydrophobicContact CD1-CG2 4Å; I33-V67 HydrophobicContact CG2-CG2 4.3Å; V67-S69 PolarHBondContact O-N 3.11Å; V67-R70 PolarHBondContact O-N 3.36Å; V67-I71 HydrophobicContact CG1-CD1 3.82Å; V67-I71 HydrophobicContact CG1-CG1 4.36Å; V67-I71 WeakPolarHBondContact O-CD1 3.18Å; V67-I71 VanDerWaalsContact O-CG1 3.23Å; V67-I71 WeakPolarHBondContact O-CG1 3.27Å; V67-I71 PolarHBondContact O-N 3.24Å; V67-W145 HydrophobicContact CG1-CZ3 4.25Å; V67-I149 HydrophobicContact CG1-CD1 3.85Å |
| 68 | A | 64.4 | Low | 60.1 | Low | 31 Ų | 31 | 92 Ų | 92 | 26% | 0.256 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.2 | -44.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114 | I26 R66 R70 I71 F72 | I26-A68 HydrophobicContact CG2-CB 3.72Å; R66-A68 PolarHBondContact O-N 3.2Å; R66-A68 VanDerWaalsContact O-N 3.11Å; A68-R70 VanDerWaalsContact C-N 3.29Å; A68-R70 PolarHBondContact O-N 2.79Å; A68-I71 PolarHBondContact O-N 3.38Å; A68-F72 WeakPolarHBondContact O-CB 3.49Å; A68-F72 PolarHBondContact O-N 3.38Å |
| 69 | S | 65.6 | Low | 61.2 | Low | 51 Ų | 51 | 84.2 Ų | 84.2 | 36% | 0.357 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 177.1 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | R66 V67 I71 Q73 | R66-S69 WeakPolarHBondContact O-CA 3.21Å; R66-S69 VanDerWaalsContact O-CB 3.29Å; R66-S69 WeakPolarHBondContact O-CB 3.43Å; R66-S69 PolarHBondContact O-N 3.43Å; V67-S69 PolarHBondContact O-N 3.11Å; S69-I71 VanDerWaalsContact C-N 3.32Å; S69-Q73 WeakPolarHBondContact O-CB 3.46Å; S69-Q73 VanDerWaalsContact O-CG 3.25Å; S69-Q73 WeakPolarHBondContact O-CG 3.19Å; S69-Q73 PolarHBondContact O-N 2.95Å |
| 70 | R | 66.1 | Low | 62.8 | Low | 66 Ų | 66 | 74.4 Ų | 74.4 | 25% | 0.249 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.5 | -34.5 | 178.4 | -53.5 | -176.1 | -175.5 | -163 | -6.6 | 110 | E64 P65 R66 V67 A68 Q73 C74 W145 | E64-R70 IonicContact OE1-NH2 2.7Å; P65-R70 HydrophobicContact CB-CG 3.76Å; P65-R70 HydrophobicContact CG-CG 3.67Å; P65-R70 PolarHBondContact O-NE 3.44Å; R66-R70 PolarHBondContact O-N 3.42Å; V67-R70 PolarHBondContact O-N 3.36Å; A68-R70 VanDerWaalsContact C-N 3.29Å; A68-R70 PolarHBondContact O-N 2.79Å; R70-Q73 CarbonylContact O-C 3.57Å; R70-Q73 WeakPolarHBondContact O-CB 3.24Å; R70-Q73 PolarHBondContact O-N 2.89Å; R70-C74 PolarHBondContact O-N 3.41Å; R70-W145 HydrophobicContact CB-CH2 3.04Å; R70-W145 HydrophobicContact CB-CZ2 2.98Å; R70-W145 HydrophobicContact CB-CZ3 4.21Å; R70-W145 HydrophobicContact CG-CH2 4.29Å; R70-W145 HydrophobicContact CG-CZ2 4.16Å; R70-W145 WeakPolarHBondContact O-CH2 3.28Å; R70-W145 WeakPolarHBondContact O-CZ2 3.25Å |
| 71 | I | 67.3 | Low | 64.5 | Low | 8 Ų | 8 | 68.5 Ų | 68.5 | 4% | 0.041 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.7 | -44.5 | -179.3 | -72.7 | 155.8 | 0 | 0 | 0 | 107.9 | I26 V67 A68 S69 Q73 C74 C75 W145 L272 I275 | I26-I71 HydrophobicContact CG2-CD1 4.25Å; V67-I71 HydrophobicContact CG1-CD1 3.82Å; V67-I71 HydrophobicContact CG1-CG1 4.36Å; V67-I71 WeakPolarHBondContact O-CD1 3.18Å; V67-I71 VanDerWaalsContact O-CG1 3.23Å; V67-I71 WeakPolarHBondContact O-CG1 3.27Å; V67-I71 PolarHBondContact O-N 3.24Å; A68-I71 PolarHBondContact O-N 3.38Å; S69-I71 VanDerWaalsContact C-N 3.32Å; I71-Q73 VanDerWaalsContact C-N 3.29Å; I71-Q73 PolarHBondContact O-N 3.4Å; I71-C74 WeakPolarHBondContact O-CB 3.42Å; I71-C74 PolarHBondContact O-N 3.02Å; I71-C74 VanDerWaalsContact O-N 3.11Å; I71-C75 WeakPolarHBondContact O-CB 3.31Å; I71-C75 PolarHBondContact O-N 3.38Å; I71-C75 PolarHBondContact O-SG 3.17Å; I71-C75 VanDerWaalsContact O-SG 3.38Å; I71-W145 HydrophobicContact CB-CH2 4.38Å; I71-W145 HydrophobicContact CG1-CH2 3.8Å; I71-W145 HydrophobicContact CG1-CZ3 3.73Å; I71-L272 HydrophobicContact CG2-CD2 3.98Å; I71-I275 HydrophobicContact CD1-CD1 3.3Å; I71-I275 HydrophobicContact CG1-CD1 4.06Å; I71-I275 HydrophobicContact CG2-CD1 4.33Å |
| 72 | F | 69.8 | Low | 65.9 | Low | 154 Ų | 154 | 63.7 Ų | 63.7 | 68% | 0.675 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -58.8 | -42.5 | 173.2 | -173.9 | -97.2 | 0 | 0 | 0 | 111.4 | A68 C75 A76 | A68-F72 WeakPolarHBondContact O-CB 3.49Å; A68-F72 PolarHBondContact O-N 3.38Å; F72-C75 PolarHBondContact O-N 3.34Å; F72-A76 WeakPolarHBondContact O-CB 3.33Å; F72-A76 PolarHBondContact O-N 2.88Å |
| 73 | Q | 69.5 | Low | 67.5 | Low | 95 Ų | 95 | 66.7 Ų | 66.7 | 44% | 0.444 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 172.9 | -74.6 | 168.5 | 4.1 | 0 | 0 | 112 | S69 R70 I71 A76 W77 | S69-Q73 WeakPolarHBondContact O-CB 3.46Å; S69-Q73 VanDerWaalsContact O-CG 3.25Å; S69-Q73 WeakPolarHBondContact O-CG 3.19Å; S69-Q73 PolarHBondContact O-N 2.95Å; R70-Q73 CarbonylContact O-C 3.57Å; R70-Q73 WeakPolarHBondContact O-CB 3.24Å; R70-Q73 PolarHBondContact O-N 2.89Å; I71-Q73 VanDerWaalsContact C-N 3.29Å; I71-Q73 PolarHBondContact O-N 3.4Å; Q73-A76 PolarHBondContact O-N 2.76Å; Q73-W77 VanDerWaalsContact O-CB 3.27Å; Q73-W77 WeakPolarHBondContact O-CB 3.31Å; Q73-W77 VanDerWaalsContact O-CD1 3.23Å; Q73-W77 PolarHBondContact O-N 2.89Å |
| 74 | C | 68.8 | Low | 69.2 | Low | 13 Ų | 13 | 63.7 Ų | 63.7 | 9% | 0.088 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 176.2 | -173.1 | 0 | 0 | 0 | 0 | 111.3 | R70 I71 A76 W77 N78 N142 | R70-C74 PolarHBondContact O-N 3.41Å; I71-C74 WeakPolarHBondContact O-CB 3.42Å; I71-C74 PolarHBondContact O-N 3.02Å; I71-C74 VanDerWaalsContact O-N 3.11Å; C74-A76 VanDerWaalsContact C-N 3.34Å; C74-A76 PolarHBondContact O-N 3.05Å; C74-W77 PolarHBondContact O-N 3.4Å; C74-N78 WeakPolarHBondContact O-CB 2.99Å; C74-N78 PolarHBondContact O-N 3.44Å; C74-N78 PolarHBondContact O-ND2 3.05Å; C74-N78 PolarHBondContact SG-ND2 2.91Å; C74-N142 PolarHBondContact SG-OD1 3.45Å; C74-N142 VanDerWaalsContact SG-OD1 3.41Å |
| 75 | C | 70.7 | Confident | 70.6 | Confident | 14 Ų | 14 | 61.5 Ų | 61.5 | 10% | 0.095 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 175.1 | -69.2 | 0 | 0 | 0 | 0 | 112 | I71 F72 G79 I268 | I71-C75 WeakPolarHBondContact O-CB 3.31Å; I71-C75 PolarHBondContact O-N 3.38Å; I71-C75 PolarHBondContact O-SG 3.17Å; I71-C75 VanDerWaalsContact O-SG 3.38Å; F72-C75 PolarHBondContact O-N 3.34Å; C75-G79 WeakPolarHBondContact O-CA 3.48Å; C75-G79 PolarHBondContact O-N 3.39Å; C75-I268 HydrophobicContact CB-CG2 4.49Å; C75-I268 PolarHBondContact SG-O 3.12Å |
| 76 | A | 72.3 | Confident | 71.8 | Confident | 48 Ų | 48 | 59.4 Ų | 59.4 | 40% | 0.397 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -71.4 | -39.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | F72 Q73 C74 G80 | F72-A76 WeakPolarHBondContact O-CB 3.33Å; F72-A76 PolarHBondContact O-N 2.88Å; Q73-A76 PolarHBondContact O-N 2.76Å; C74-A76 VanDerWaalsContact C-N 3.34Å; C74-A76 PolarHBondContact O-N 3.05Å; A76-G80 WeakPolarHBondContact O-CA 3.37Å; A76-G80 PolarHBondContact O-N 3.19Å |
| 77 | W | 71.6 | Confident | 72.8 | Confident | 181 Ų | 181 | 56.1 Ų | 56.1 | 69% | 0.686 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -70.7 | -47.8 | 174.9 | -87.6 | 107.6 | 0 | 0 | 0 | 111.4 | Q73 C74 V81 | Q73-W77 VanDerWaalsContact O-CB 3.27Å; Q73-W77 WeakPolarHBondContact O-CB 3.31Å; Q73-W77 VanDerWaalsContact O-CD1 3.23Å; Q73-W77 PolarHBondContact O-N 2.89Å; C74-W77 PolarHBondContact O-N 3.4Å; W77-V81 HydrophobicContact CE3-CG2 3.42Å; W77-V81 VanDerWaalsContact CE3-CG2 3.42Å; W77-V81 HydrophobicContact CZ3-CG2 3.76Å; W77-V81 WeakPolarHBondContact O-CB 3.47Å; W77-V81 VanDerWaalsContact O-CG2 3.25Å; W77-V81 WeakPolarHBondContact O-CG2 3.47Å; W77-V81 PolarHBondContact O-N 3.37Å |
| 78 | N | 69.1 | Low | 74 | Confident | 26 Ų | 26 | 59.1 Ų | 59.1 | 14% | 0.139 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.5 | -52.2 | 177.1 | -71.4 | -21 | 0 | 0 | 0 | 110.3 | C74 F82 S138 | C74-N78 WeakPolarHBondContact O-CB 2.99Å; C74-N78 PolarHBondContact O-N 3.44Å; C74-N78 PolarHBondContact O-ND2 3.05Å; C74-N78 PolarHBondContact SG-ND2 2.91Å; N78-F82 VanDerWaalsContact O-CB 3.27Å; N78-F82 WeakPolarHBondContact O-CB 3.35Å; N78-F82 WeakPolarHBondContact O-CD2 3.38Å; N78-F82 PolarHBondContact O-N 3.08Å; N78-S138 PolarHBondContact ND2-OG 2.77Å |
| 79 | G | 71.6 | Confident | 75 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 7% | 0.072 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | C75 W83 | C75-G79 WeakPolarHBondContact O-CA 3.48Å; C75-G79 PolarHBondContact O-N 3.39Å; G79-W83 WeakPolarHBondContact O-CB 3.27Å; G79-W83 PolarHBondContact O-N 2.94Å |
| 80 | G | 78.5 | Confident | 76 | Confident | 33 Ų | 33 | 59.9 Ų | 59.9 | 34% | 0.34 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.7 | -46.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A76 W83 L84 | A76-G80 WeakPolarHBondContact O-CA 3.37Å; A76-G80 PolarHBondContact O-N 3.19Å; G80-W83 PolarHBondContact O-N 3.14Å; G80-L84 WeakPolarHBondContact O-CB 3.25Å; G80-L84 PolarHBondContact O-N 3.23Å |
| 81 | V | 76 | Confident | 77 | Confident | 55 Ų | 55 | 65.5 Ų | 65.5 | 33% | 0.333 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 176.7 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | W77 S85 | W77-V81 HydrophobicContact CE3-CG2 3.42Å; W77-V81 VanDerWaalsContact CE3-CG2 3.42Å; W77-V81 HydrophobicContact CZ3-CG2 3.76Å; W77-V81 WeakPolarHBondContact O-CB 3.47Å; W77-V81 VanDerWaalsContact O-CG2 3.25Å; W77-V81 WeakPolarHBondContact O-CG2 3.47Å; W77-V81 PolarHBondContact O-N 3.37Å; V81-S85 WeakPolarHBondContact O-CB 3.19Å; V81-S85 PolarHBondContact O-N 3.49Å; V81-S85 PolarHBondContact O-OG 3.16Å; V81-S85 VanDerWaalsContact O-OG 3.12Å |
| 82 | F | 73.9 | Confident | 78.1 | Confident | 5 Ų | 5 | 68.5 Ų | 68.5 | 2% | 0.022 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.7 | -56.3 | 174.5 | -95.6 | -91 | 0 | 0 | 0 | 110.9 | N78 L84 S85 L86 V131 L134 | N78-F82 VanDerWaalsContact O-CB 3.27Å; N78-F82 WeakPolarHBondContact O-CB 3.35Å; N78-F82 WeakPolarHBondContact O-CD2 3.38Å; N78-F82 PolarHBondContact O-N 3.08Å; F82-L84 VanDerWaalsContact C-N 3.34Å; F82-L84 PolarHBondContact O-N 3.17Å; F82-S85 PolarHBondContact O-N 3.45Å; F82-S85 PolarHBondContact O-OG 3.35Å; F82-L86 WeakPolarHBondContact O-CG 3.43Å; F82-L86 PolarHBondContact O-N 3.42Å; F82-V131 HydrophobicContact CE1-CB 4.36Å; F82-V131 HydrophobicContact CE1-CG1 3.94Å; F82-L134 HydrophobicContact CD1-CD1 4.25Å; F82-L134 HydrophobicContact CD2-CB 4.25Å; F82-L134 HydrophobicContact CD2-CD1 4.23Å; F82-L134 HydrophobicContact CE1-CB 3.78Å; F82-L134 HydrophobicContact CE1-CD1 4.07Å; F82-L134 HydrophobicContact CE2-CB 3.35Å; F82-L134 HydrophobicContact CE2-CD1 4.11Å; F82-L134 HydrophobicContact CE2-CG 4.26Å; F82-L134 HydrophobicContact CG-CD1 4.37Å; F82-L134 HydrophobicContact CZ-CB 3.07Å; F82-L134 HydrophobicContact CZ-CD1 4.06Å; F82-L134 HydrophobicContact CZ-CG 4.2Å |
| 83 | W | 79.9 | Confident | 79.1 | Confident | 160 Ų | 160 | 65.7 Ų | 65.7 | 61% | 0.606 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.1 | -41.8 | -176.5 | -173.4 | 86 | 0 | 0 | 0 | 112.6 | G79 G80 L86 F87 | G79-W83 WeakPolarHBondContact O-CB 3.27Å; G79-W83 PolarHBondContact O-N 2.94Å; G80-W83 PolarHBondContact O-N 3.14Å; W83-L86 PolarHBondContact O-N 3.15Å; W83-F87 HydrophobicContact CH2-CD2 4.3Å; W83-F87 WeakPolarHBondContact O-CB 3.49Å; W83-F87 PolarHBondContact O-N 3.28Å |
| 84 | L | 83.4 | Confident | 80.1 | Confident | 90 Ų | 90 | 61.8 Ų | 61.8 | 47% | 0.471 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65 | -43.5 | 176.2 | -177.5 | 63.7 | 0 | 0 | 0 | 111.4 | G80 F82 L86 F87 L88 | G80-L84 WeakPolarHBondContact O-CB 3.25Å; G80-L84 PolarHBondContact O-N 3.23Å; F82-L84 VanDerWaalsContact C-N 3.34Å; F82-L84 PolarHBondContact O-N 3.17Å; L84-L86 VanDerWaalsContact C-N 3.25Å; L84-L86 PolarHBondContact O-N 3.31Å; L84-F87 PolarHBondContact O-N 3.01Å; L84-L88 HydrophobicContact CD1-CD1 4.24Å; L84-L88 HydrophobicContact CD1-CG 4.18Å; L84-L88 HydrophobicContact CG-CD1 4.03Å; L84-L88 HydrophobicContact CG-CG 4.37Å; L84-L88 WeakPolarHBondContact O-CB 3.09Å; L84-L88 VanDerWaalsContact O-CG 3.3Å; L84-L88 WeakPolarHBondContact O-CG 3.25Å; L84-L88 PolarHBondContact O-N 2.81Å |
| 85 | S | 82 | Confident | 81.1 | Confident | 18 Ų | 18 | 63.4 Ų | 63.4 | 13% | 0.126 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.9 | -37.6 | 177.1 | 71.6 | 0 | 0 | 0 | 0 | 111.8 | V81 F82 F89 W130 | V81-S85 WeakPolarHBondContact O-CB 3.19Å; V81-S85 PolarHBondContact O-N 3.49Å; V81-S85 PolarHBondContact O-OG 3.16Å; V81-S85 VanDerWaalsContact O-OG 3.12Å; F82-S85 PolarHBondContact O-N 3.45Å; F82-S85 PolarHBondContact O-OG 3.35Å; S85-F89 VanDerWaalsContact O-CB 3.27Å; S85-F89 WeakPolarHBondContact O-CB 3.44Å; S85-F89 PolarHBondContact O-N 2.78Å; S85-W130 PolarHBondContact OG-NE1 2.86Å |
| 86 | L | 79.8 | Confident | 82 | Confident | 12 Ų | 12 | 67.3 Ų | 67.3 | 6% | 0.063 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.7 | -43.8 | 176.1 | -66.6 | 168.2 | 0 | 0 | 0 | 112.8 | F82 W83 L84 F89 Y90 F126 I260 C264 | F82-L86 WeakPolarHBondContact O-CG 3.43Å; F82-L86 PolarHBondContact O-N 3.42Å; W83-L86 PolarHBondContact O-N 3.15Å; L84-L86 VanDerWaalsContact C-N 3.25Å; L84-L86 PolarHBondContact O-N 3.31Å; L86-F89 PolarHBondContact O-N 3.45Å; L86-Y90 HydrophobicContact CD2-CD2 4.44Å; L86-Y90 HydrophobicContact CD2-CE2 4.08Å; L86-Y90 WeakPolarHBondContact O-CB 3.39Å; L86-Y90 WeakPolarHBondContact O-CD2 3.37Å; L86-Y90 PolarHBondContact O-N 2.8Å; L86-F126 HydrophobicContact CD2-CE1 3.69Å; L86-F126 HydrophobicContact CD2-CZ 4.28Å; L86-I260 HydrophobicContact CB-CG2 4.48Å; L86-I260 HydrophobicContact CD1-CG2 3.12Å; L86-I260 HydrophobicContact CD2-CB 4.48Å; L86-I260 HydrophobicContact CD2-CD1 4.3Å; L86-I260 HydrophobicContact CD2-CG2 3.19Å; L86-I260 HydrophobicContact CG-CG2 3.67Å; L86-C264 WeakPolarHBondContact CD1-SG 3.38Å |
| 87 | F | 85 | Confident | 82.9 | Confident | 90 Ų | 90 | 67.1 Ų | 67.1 | 40% | 0.395 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.8 | -50.9 | 175.7 | 178.4 | -92.7 | 0 | 0 | 0 | 110.1 | W83 L84 F89 R91 | W83-F87 HydrophobicContact CH2-CD2 4.3Å; W83-F87 WeakPolarHBondContact O-CB 3.49Å; W83-F87 PolarHBondContact O-N 3.28Å; L84-F87 PolarHBondContact O-N 3.01Å; F87-F89 VanDerWaalsContact C-N 3.33Å; F87-F89 PolarHBondContact O-N 2.76Å; F87-R91 HydrophobicContact CD2-CB 4.23Å; F87-R91 HydrophobicContact CD2-CG 3.81Å; F87-R91 HydrophobicContact CE2-CB 4.04Å; F87-R91 HydrophobicContact CE2-CG 3.8Å; F87-R91 HydrophobicContact CG-CG 4.47Å; F87-R91 HydrophobicContact CZ-CB 4.19Å; F87-R91 HydrophobicContact CZ-CG 4.45Å; F87-R91 WeakPolarHBondContact O-CA 3.24Å; F87-R91 WeakPolarHBondContact O-CB 3.42Å; F87-R91 PolarHBondContact O-N 3.09Å |
| 88 | L | 88.1 | Confident | 83.8 | Confident | 84 Ų | 84 | 62.4 Ų | 62.4 | 44% | 0.44 | 31% | 0.306 | S | S | . | . | I | π-helix | trans | -61.4 | -41.7 | 178.1 | -69.1 | 175.3 | 0 | 0 | 0 | 111.6 | L84 V92 F93 | L84-L88 HydrophobicContact CD1-CD1 4.24Å; L84-L88 HydrophobicContact CD1-CG 4.18Å; L84-L88 HydrophobicContact CG-CD1 4.03Å; L84-L88 HydrophobicContact CG-CG 4.37Å; L84-L88 WeakPolarHBondContact O-CB 3.09Å; L84-L88 VanDerWaalsContact O-CG 3.3Å; L84-L88 WeakPolarHBondContact O-CG 3.25Å; L84-L88 PolarHBondContact O-N 2.81Å; L88-V92 HydrophobicContact CD2-CG2 4.12Å; L88-V92 CarbonylContact O-C 3.58Å; L88-V92 WeakPolarHBondContact O-CA 3.43Å; L88-V92 VanDerWaalsContact O-CB 3.26Å; L88-V92 WeakPolarHBondContact O-CB 3.48Å; L88-V92 PolarHBondContact O-N 3.09Å; L88-V92 VanDerWaalsContact O-N 3.14Å; L88-F93 PolarHBondContact O-N 3.29Å |
| 89 | F | 87.2 | Confident | 84.8 | Confident | 17 Ų | 17 | 64.8 Ų | 64.8 | 8% | 0.075 | 32% | 0.322 | C | S | . | . | I | π-helix | trans | -65.5 | -56.5 | 179.4 | -171.6 | -100.3 | 0 | 0 | 0 | 112.1 | S85 L86 F87 F93 I94 L122 F126 | S85-F89 VanDerWaalsContact O-CB 3.27Å; S85-F89 WeakPolarHBondContact O-CB 3.44Å; S85-F89 PolarHBondContact O-N 2.78Å; L86-F89 PolarHBondContact O-N 3.45Å; F87-F89 VanDerWaalsContact C-N 3.33Å; F87-F89 PolarHBondContact O-N 2.76Å; F89-F93 HydrophobicContact CD2-CB 4.47Å; F89-F93 AromaticContact CD2-CD1 3.76Å; F89-F93 HydrophobicContact CD2-CD1 3.76Å; F89-F93 HydrophobicContact CD2-CE1 4.45Å; F89-F93 HydrophobicContact CD2-CG 4.41Å; F89-F93 AromaticContact CE2-CD1 3.62Å; F89-F93 HydrophobicContact CE2-CD1 3.62Å; F89-F93 AromaticContact CE2-CE1 3.93Å; F89-F93 HydrophobicContact CE2-CE1 3.93Å; F89-F93 HydrophobicContact CZ-CD1 4.46Å; F89-F93 WeakPolarHBondContact O-CB 3.23Å; F89-F93 PolarHBondContact O-N 2.78Å; F89-I94 HydrophobicContact CD1-CG1 4.15Å; F89-I94 HydrophobicContact CE1-CD1 3.9Å; F89-I94 HydrophobicContact CE1-CG1 3.9Å; F89-I94 HydrophobicContact CZ-CD1 3.9Å; F89-I94 HydrophobicContact CZ-CG1 4.28Å; F89-I94 WeakPolarHBondContact O-CG1 3.18Å; F89-I94 PolarHBondContact O-N 3.32Å; F89-L122 HydrophobicContact CZ-CB 4.25Å; F89-F126 HydrophobicContact CB-CE1 4.28Å; F89-F126 HydrophobicContact CB-CE2 4.07Å; F89-F126 HydrophobicContact CB-CZ 3.94Å; F89-F126 AromaticContact CD1-CD1 3.91Å; F89-F126 HydrophobicContact CD1-CD1 3.91Å; F89-F126 HydrophobicContact CD1-CD2 4.46Å; F89-F126 HydrophobicContact CD1-CE1 4.24Å; F89-F126 HydrophobicContact CD1-CG 4.04Å; F89-F126 HydrophobicContact CD2-CB 4.39Å; F89-F126 HydrophobicContact CD2-CD1 4.41Å; F89-F126 AromaticContact CD2-CD2 3.51Å; F89-F126 HydrophobicContact CD2-CD2 3.51Å; F89-F126 AromaticContact CD2-CE2 3.83Å; F89-F126 HydrophobicContact CD2-CE2 3.83Å; F89-F126 AromaticContact CD2-CG 3.84Å; F89-F126 HydrophobicContact CD2-CG 3.84Å; F89-F126 HydrophobicContact CD2-CZ 4.41Å; F89-F126 HydrophobicContact CE1-CB 4Å; F89-F126 HydrophobicContact CE1-CD1 4.07Å; F89-F126 AromaticContact CE1-CG 3.96Å; F89-F126 HydrophobicContact CE1-CG 3.96Å; F89-F126 HydrophobicContact CE2-CB 3.79Å; F89-F126 AromaticContact CE2-CD2 3.7Å; F89-F126 HydrophobicContact CE2-CD2 3.7Å; F89-F126 HydrophobicContact CE2-CE2 4.46Å; F89-F126 AromaticContact CE2-CG 3.75Å; F89-F126 HydrophobicContact CE2-CG 3.75Å; F89-F126 HydrophobicContact CG-CD1 4.09Å; F89-F126 AromaticContact CG-CD2 3.92Å; F89-F126 HydrophobicContact CG-CD2 3.92Å; F89-F126 HydrophobicContact CG-CE1 4.16Å; F89-F126 AromaticContact CG-CE2 3.96Å; F89-F126 HydrophobicContact CG-CE2 3.96Å; F89-F126 AromaticContact CG-CG 3.98Å; F89-F126 HydrophobicContact CG-CG 3.98Å; F89-F126 HydrophobicContact CG-CZ 4.08Å; F89-F126 HydrophobicContact CZ-CB 3.56Å; F89-F126 HydrophobicContact CZ-CD1 4.38Å; F89-F126 HydrophobicContact CZ-CD2 4.25Å; F89-F126 AromaticContact CZ-CG 3.8Å; F89-F126 HydrophobicContact CZ-CG 3.8Å |
| 90 | Y | 85.5 | Confident | 85.6 | Confident | 81 Ų | 81 | 68.4 Ų | 68.4 | 32% | 0.318 | 34% | 0.339 | S | S | . | . | I | π-helix | trans | -78.4 | -34.4 | -173.6 | -75.5 | -73.4 | 0 | 0 | 0 | 114.2 | L86 P95 T123 I260 | L86-Y90 HydrophobicContact CD2-CD2 4.44Å; L86-Y90 HydrophobicContact CD2-CE2 4.08Å; L86-Y90 WeakPolarHBondContact O-CB 3.39Å; L86-Y90 WeakPolarHBondContact O-CD2 3.37Å; L86-Y90 PolarHBondContact O-N 2.8Å; Y90-P95 WeakPolarHBondContact O-CD 3.46Å; Y90-T123 HydrophobicContact CE1-CG2 4.1Å; Y90-T123 WeakPolarHBondContact OH-CG2 3.17Å; Y90-I260 HydrophobicContact CE2-CD1 3.61Å; Y90-I260 WeakPolarHBondContact OH-CD1 3.27Å |
| 91 | R | 87.5 | Confident | 86.1 | Confident | 185 Ų | 185 | 68 Ų | 68 | 70% | 0.698 | 33% | 0.33 | S | S | * | . | I | π-helix | trans | -95.9 | -19.5 | -175.1 | -60.4 | -64.7 | -167.2 | 159.7 | 0.6 | 113.8 | F87 P95 | F87-R91 HydrophobicContact CD2-CB 4.23Å; F87-R91 HydrophobicContact CD2-CG 3.81Å; F87-R91 HydrophobicContact CE2-CB 4.04Å; F87-R91 HydrophobicContact CE2-CG 3.8Å; F87-R91 HydrophobicContact CG-CG 4.47Å; F87-R91 HydrophobicContact CZ-CB 4.19Å; F87-R91 HydrophobicContact CZ-CG 4.45Å; F87-R91 WeakPolarHBondContact O-CA 3.24Å; F87-R91 WeakPolarHBondContact O-CB 3.42Å; F87-R91 PolarHBondContact O-N 3.09Å; R91-P95 WeakPolarHBondContact O-CG 3.4Å |
| 92 | V | 89.8 | Confident | 86.7 | Confident | 70 Ų | 70 | 67.2 Ų | 67.2 | 42% | 0.424 | 33% | 0.329 | S | S | . | . | I | π-helix | trans | -118.4 | -58.5 | -178.1 | -172 | 0 | 0 | 0 | 0 | 110.8 | L88 P95 L96 | L88-V92 HydrophobicContact CD2-CG2 4.12Å; L88-V92 CarbonylContact O-C 3.58Å; L88-V92 WeakPolarHBondContact O-CA 3.43Å; L88-V92 VanDerWaalsContact O-CB 3.26Å; L88-V92 WeakPolarHBondContact O-CB 3.48Å; L88-V92 PolarHBondContact O-N 3.09Å; L88-V92 VanDerWaalsContact O-N 3.14Å; V92-P95 WeakPolarHBondContact O-CD 3.3Å; V92-P95 WeakPolarHBondContact O-CG 3.35Å; V92-L96 WeakPolarHBondContact O-CB 3.33Å; V92-L96 PolarHBondContact O-N 3.36Å |
| 93 | F | 90.8 | Very high | 87.4 | Confident | 96 Ų | 96 | 75.5 Ų | 75.5 | 42% | 0.421 | 37% | 0.365 | S | S | . | . | I | π-helix | trans | -67.6 | -52.1 | -171 | -177.5 | -104.4 | 0 | 0 | 0 | 113.1 | L88 F89 L96 L97 L122 | L88-F93 PolarHBondContact O-N 3.29Å; F89-F93 HydrophobicContact CD2-CB 4.47Å; F89-F93 AromaticContact CD2-CD1 3.76Å; F89-F93 HydrophobicContact CD2-CD1 3.76Å; F89-F93 HydrophobicContact CD2-CE1 4.45Å; F89-F93 HydrophobicContact CD2-CG 4.41Å; F89-F93 AromaticContact CE2-CD1 3.62Å; F89-F93 HydrophobicContact CE2-CD1 3.62Å; F89-F93 AromaticContact CE2-CE1 3.93Å; F89-F93 HydrophobicContact CE2-CE1 3.93Å; F89-F93 HydrophobicContact CZ-CD1 4.46Å; F89-F93 WeakPolarHBondContact O-CB 3.23Å; F89-F93 PolarHBondContact O-N 2.78Å; F93-L96 PolarHBondContact O-N 2.86Å; F93-L97 HydrophobicContact CE1-CD2 4.39Å; F93-L97 HydrophobicContact CZ-CD2 4.5Å; F93-L97 WeakPolarHBondContact O-CB 3.43Å; F93-L97 PolarHBondContact O-N 3.24Å; F93-L122 HydrophobicContact CE1-CD2 3.66Å; F93-L122 HydrophobicContact CZ-CD2 4.42Å |
| 94 | I | 90.4 | Very high | 87.9 | Confident | 12 Ų | 12 | 74.5 Ų | 74.5 | 6% | 0.062 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -56.5 | -54.8 | 177.7 | -69.2 | -65.1 | 0 | 0 | 0 | 112 | F89 L96 L97 Q98 W115 L122 | F89-I94 HydrophobicContact CD1-CG1 4.15Å; F89-I94 HydrophobicContact CE1-CD1 3.9Å; F89-I94 HydrophobicContact CE1-CG1 3.9Å; F89-I94 HydrophobicContact CZ-CD1 3.9Å; F89-I94 HydrophobicContact CZ-CG1 4.28Å; F89-I94 WeakPolarHBondContact O-CG1 3.18Å; F89-I94 PolarHBondContact O-N 3.32Å; I94-L96 PolarHBondContact O-N 2.85Å; I94-L97 PolarHBondContact O-N 3.26Å; I94-Q98 WeakPolarHBondContact O-CB 3.4Å; I94-Q98 PolarHBondContact O-N 3.33Å; I94-W115 HydrophobicContact CG2-CH2 4.27Å; I94-W115 HydrophobicContact CG2-CZ2 3.77Å; I94-W115 WeakPolarHBondContact O-CH2 3.41Å; I94-L122 HydrophobicContact CD1-CB 4.45Å; I94-L122 HydrophobicContact CD1-CD2 4.28Å |
| 95 | P | 89.6 | Confident | 88.1 | Confident | 48 Ų | 48 | 73.1 Ų | 73.1 | 31% | 0.312 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.8 | -35.9 | -179.7 | 21.7 | -30.7 | 0 | 0 | 0 | 112.8 | Y90 R91 V92 Q98 T99 | Y90-P95 WeakPolarHBondContact O-CD 3.46Å; R91-P95 WeakPolarHBondContact O-CG 3.4Å; V92-P95 WeakPolarHBondContact O-CD 3.3Å; V92-P95 WeakPolarHBondContact O-CG 3.35Å; P95-Q98 WeakPolarHBondContact O-CB 3.41Å; P95-Q98 PolarHBondContact O-N 3.1Å; P95-T99 WeakPolarHBondContact O-CG2 3.13Å; P95-T99 PolarHBondContact O-N 3.27Å; P95-T99 PolarHBondContact O-OG1 3.21Å |
| 96 | L | 90.8 | Very high | 87.9 | Confident | 96 Ų | 96 | 75.2 Ų | 75.2 | 50% | 0.503 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 174.4 | -177.9 | 66.2 | 0 | 0 | 0 | 110.8 | V92 F93 I94 Q98 T99 L100 | V92-L96 WeakPolarHBondContact O-CB 3.33Å; V92-L96 PolarHBondContact O-N 3.36Å; F93-L96 PolarHBondContact O-N 2.86Å; I94-L96 PolarHBondContact O-N 2.85Å; L96-Q98 VanDerWaalsContact C-N 3.3Å; L96-Q98 PolarHBondContact O-N 3.28Å; L96-T99 PolarHBondContact O-N 3.21Å; L96-T99 PolarHBondContact O-OG1 2.84Å; L96-L100 HydrophobicContact CG-CD1 4.17Å; L96-L100 WeakPolarHBondContact O-CG 3.25Å; L96-L100 PolarHBondContact O-N 2.88Å |
| 97 | L | 90.9 | Very high | 88.2 | Confident | 43 Ų | 43 | 77.8 Ų | 77.8 | 23% | 0.225 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.8 | -36.1 | 178.2 | -166.8 | 71.7 | 0 | 0 | 0 | 111.8 | F93 I94 L100 T101 W115 L118 L122 | F93-L97 HydrophobicContact CE1-CD2 4.39Å; F93-L97 HydrophobicContact CZ-CD2 4.5Å; F93-L97 WeakPolarHBondContact O-CB 3.43Å; F93-L97 PolarHBondContact O-N 3.24Å; I94-L97 PolarHBondContact O-N 3.26Å; L97-L100 PolarHBondContact O-N 2.68Å; L97-T101 HydrophobicContact CG-CG2 4.44Å; L97-T101 WeakPolarHBondContact O-CB 3.39Å; L97-T101 WeakPolarHBondContact O-CG2 3.36Å; L97-T101 PolarHBondContact O-N 3.44Å; L97-T101 PolarHBondContact O-OG1 3.03Å; L97-W115 HydrophobicContact CB-CH2 4.07Å; L97-W115 HydrophobicContact CB-CZ3 4.12Å; L97-W115 HydrophobicContact CD2-CH2 4.37Å; L97-W115 HydrophobicContact CD2-CZ3 4.11Å; L97-W115 HydrophobicContact CG-CH2 4.38Å; L97-W115 HydrophobicContact CG-CZ3 4Å; L97-L118 HydrophobicContact CD2-CD2 4.15Å; L97-L122 HydrophobicContact CD2-CD2 3.25Å |
| 98 | Q | 89.7 | Confident | 88.2 | Confident | 83 Ų | 83 | 78.8 Ų | 78.8 | 39% | 0.388 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 174.4 | -165.1 | 175.2 | 8.8 | 0 | 0 | 111.2 | I94 P95 L96 T101 A102 H111 W115 | I94-Q98 WeakPolarHBondContact O-CB 3.4Å; I94-Q98 PolarHBondContact O-N 3.33Å; P95-Q98 WeakPolarHBondContact O-CB 3.41Å; P95-Q98 PolarHBondContact O-N 3.1Å; L96-Q98 VanDerWaalsContact C-N 3.3Å; L96-Q98 PolarHBondContact O-N 3.28Å; Q98-T101 WeakPolarHBondContact CA-OG1 3.49Å; Q98-T101 PolarHBondContact O-OG1 3.07Å; Q98-A102 VanDerWaalsContact O-CB 3.27Å; Q98-A102 WeakPolarHBondContact O-CB 3.31Å; Q98-A102 PolarHBondContact O-N 3.15Å; Q98-H111 PolarHBondContact O-NE2 3.27Å; Q98-W115 VanDerWaalsContact CA-CZ3 3.43Å; Q98-W115 HydrophobicContact CB-CD2 4.19Å; Q98-W115 HydrophobicContact CB-CE3 4.24Å; Q98-W115 HydrophobicContact CB-CH2 3.57Å; Q98-W115 HydrophobicContact CB-CZ2 3.47Å; Q98-W115 VanDerWaalsContact CB-CZ2 3.47Å; Q98-W115 HydrophobicContact CB-CZ3 3.96Å; Q98-W115 HydrophobicContact CG-CD2 3.82Å; Q98-W115 HydrophobicContact CG-CE3 4.25Å; Q98-W115 HydrophobicContact CG-CG 4.31Å; Q98-W115 HydrophobicContact CG-CH2 4.25Å; Q98-W115 HydrophobicContact CG-CZ2 3.79Å; Q98-W115 HydrophobicContact CG-CZ3 4.46Å; Q98-W115 VanDerWaalsContact N-CH2 3.29Å |
| 99 | T | 89.5 | Confident | 87.9 | Confident | 75 Ų | 75 | 78.9 Ų | 78.9 | 46% | 0.46 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.3 | -37.5 | 178.3 | 61.6 | 0 | 0 | 0 | 0 | 112.7 | P95 L96 K103 | P95-T99 WeakPolarHBondContact O-CG2 3.13Å; P95-T99 PolarHBondContact O-N 3.27Å; P95-T99 PolarHBondContact O-OG1 3.21Å; L96-T99 PolarHBondContact O-N 3.21Å; L96-T99 PolarHBondContact O-OG1 2.84Å; T99-K103 WeakPolarHBondContact O-CG 3.32Å; T99-K103 PolarHBondContact O-N 3.43Å; T99-K103 VanDerWaalsContact O-N 3.12Å |
| 100 | L | 90.1 | Very high | 87.7 | Confident | 84 Ų | 84 | 82.9 Ų | 82.9 | 44% | 0.44 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.6 | -46.7 | 177.1 | -70.7 | 172 | 0 | 0 | 0 | 111.5 | L96 L97 A102 K103 I104 | L96-L100 HydrophobicContact CG-CD1 4.17Å; L96-L100 WeakPolarHBondContact O-CG 3.25Å; L96-L100 PolarHBondContact O-N 2.88Å; L97-L100 PolarHBondContact O-N 2.68Å; L100-A102 VanDerWaalsContact C-N 3.32Å; L100-A102 PolarHBondContact O-N 3.21Å; L100-K103 PolarHBondContact O-N 2.84Å; L100-I104 WeakPolarHBondContact O-CD1 3.2Å; L100-I104 VanDerWaalsContact O-CG1 3.3Å; L100-I104 WeakPolarHBondContact O-CG1 3.41Å; L100-I104 PolarHBondContact O-N 3.11Å |
| 101 | T | 88.1 | Confident | 87.9 | Confident | 23 Ų | 23 | 80.1 Ų | 80.1 | 14% | 0.141 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 177.7 | 50.9 | 0 | 0 | 0 | 0 | 111.9 | L97 Q98 K103 I104 I105 H111 L118 | L97-T101 HydrophobicContact CG-CG2 4.44Å; L97-T101 WeakPolarHBondContact O-CB 3.39Å; L97-T101 WeakPolarHBondContact O-CG2 3.36Å; L97-T101 PolarHBondContact O-N 3.44Å; L97-T101 PolarHBondContact O-OG1 3.03Å; Q98-T101 WeakPolarHBondContact CA-OG1 3.49Å; Q98-T101 PolarHBondContact O-OG1 3.07Å; T101-K103 VanDerWaalsContact C-N 3.33Å; T101-K103 PolarHBondContact O-N 3.16Å; T101-I104 PolarHBondContact O-N 3.43Å; T101-I105 WeakPolarHBondContact O-CG1 3.47Å; T101-I105 PolarHBondContact O-N 3.5Å; T101-H111 VanDerWaalsContact C-CD2 3.44Å; T101-H111 PolarHBondContact OG1-NE2 3.27Å; T101-L118 HydrophobicContact CG2-CD2 4.09Å |
| 102 | A | 87.9 | Confident | 87.8 | Confident | 40 Ų | 40 | 73.1 Ų | 73.1 | 33% | 0.331 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q98 L100 G106 H111 | Q98-A102 VanDerWaalsContact O-CB 3.27Å; Q98-A102 WeakPolarHBondContact O-CB 3.31Å; Q98-A102 PolarHBondContact O-N 3.15Å; L100-A102 VanDerWaalsContact C-N 3.32Å; L100-A102 PolarHBondContact O-N 3.21Å; A102-G106 PolarHBondContact O-N 3.47Å; A102-G106 VanDerWaalsContact O-N 3.07Å; A102-H111 WeakPolarHBondContact CA-CD2 3.25Å; A102-H111 WeakPolarHBondContact CA-NE2 3.44Å; A102-H111 PolarHBondContact N-CD2 2.84Å; A102-H111 VanDerWaalsContact N-CD2 3.31Å; A102-H111 PolarHBondContact N-NE2 3.38Å; A102-H111 VanDerWaalsContact N-NE2 3.11Å |
| 103 | K | 89.6 | Confident | 87.7 | Confident | 178 Ų | 178 | 73.1 Ų | 73.1 | 77% | 0.774 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -67.9 | -33.4 | 176.8 | -75.8 | -177 | 178.7 | -176 | 0 | 113.6 | T99 L100 T101 | T99-K103 WeakPolarHBondContact O-CG 3.32Å; T99-K103 PolarHBondContact O-N 3.43Å; T99-K103 VanDerWaalsContact O-N 3.12Å; L100-K103 PolarHBondContact O-N 2.84Å; T101-K103 VanDerWaalsContact C-N 3.33Å; T101-K103 PolarHBondContact O-N 3.16Å |
| 104 | I | 89.3 | Confident | 87.5 | Confident | 140 Ų | 140 | 72 Ų | 72 | 72% | 0.718 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -78 | -43 | -178.6 | -67.3 | 162.8 | 0 | 0 | 0 | 111.3 | L100 T101 | L100-I104 WeakPolarHBondContact O-CD1 3.2Å; L100-I104 VanDerWaalsContact O-CG1 3.3Å; L100-I104 WeakPolarHBondContact O-CG1 3.41Å; L100-I104 PolarHBondContact O-N 3.11Å; T101-I104 PolarHBondContact O-N 3.43Å |
| 105 | I | 88.4 | Confident | 87.5 | Confident | 61 Ų | 61 | 72.1 Ų | 72.1 | 31% | 0.313 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -78.9 | -37.9 | -175.8 | -64.7 | 177.9 | 0 | 0 | 0 | 111.1 | T101 D107 L110 H111 V114 | T101-I105 WeakPolarHBondContact O-CG1 3.47Å; T101-I105 PolarHBondContact O-N 3.5Å; I105-D107 HydrophobicContact CG2-CB 4.46Å; I105-D107 PolarHBondContact O-N 2.91Å; I105-L110 HydrophobicContact CG2-CB 4.06Å; I105-H111 HydrophobicContact CB-CB 4.36Å; I105-H111 HydrophobicContact CG2-CB 4.15Å; I105-V114 HydrophobicContact CD1-CB 4.17Å; I105-V114 HydrophobicContact CD1-CG1 4.13Å; I105-V114 HydrophobicContact CD1-CG2 4.43Å |
| 106 | G | 78.9 | Confident | 87.4 | Confident | 61 Ų | 61 | 72.9 Ų | 72.9 | 63% | 0.629 | 43% | 0.431 | S | S | * | . | trans | 71.2 | -32.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | A102 | A102-G106 PolarHBondContact O-N 3.47Å; A102-G106 VanDerWaalsContact O-N 3.07Å | ||
| 107 | D | 85.8 | Confident | 87.3 | Confident | 67 Ų | 67 | 76.7 Ų | 76.7 | 36% | 0.358 | 44% | 0.439 | S | S | . | . | trans | -85.3 | 118.8 | 174.3 | -173.1 | -29.5 | 0 | 0 | 0 | 111.3 | I105 S109 L110 H111 | I105-D107 HydrophobicContact CG2-CB 4.46Å; I105-D107 PolarHBondContact O-N 2.91Å; D107-S109 VanDerWaalsContact C-N 3.31Å; D107-S109 PolarHBondContact O-N 3.19Å; D107-S109 PolarHBondContact OD1-N 3.41Å; D107-S109 PolarHBondContact OD1-OG 2.96Å; D107-L110 HydrophobicContact CB-CB 4.22Å; D107-L110 HydrophobicContact CB-CD1 4.15Å; D107-H111 WeakPolarHBondContact O-CB 3.35Å; D107-H111 PolarHBondContact O-N 2.73Å | ||
| 108 | P | 84.6 | Confident | 87.1 | Confident | 110 Ų | 110 | 77.1 Ų | 77.1 | 71% | 0.714 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.4 | -32.7 | -178.8 | -23 | 33.4 | 0 | 0 | 0 | 114.7 | G112 | P108-G112 PolarHBondContact O-N 2.96Å; P108-G112 VanDerWaalsContact O-N 3.16Å |
| 109 | S | 82.5 | Confident | 87.1 | Confident | 86 Ų | 86 | 76.8 Ų | 76.8 | 60% | 0.601 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -76.9 | -46.3 | -174.2 | 66.4 | 0 | 0 | 0 | 0 | 111.9 | D107 S113 | D107-S109 VanDerWaalsContact C-N 3.31Å; D107-S109 PolarHBondContact O-N 3.19Å; D107-S109 PolarHBondContact OD1-N 3.41Å; D107-S109 PolarHBondContact OD1-OG 2.96Å; S109-S113 PolarHBondContact O-N 3.14Å |
| 110 | L | 82.2 | Confident | 86.9 | Confident | 101 Ų | 101 | 79.6 Ų | 79.6 | 53% | 0.529 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66 | -40.2 | 173.2 | -81.5 | 156.7 | 0 | 0 | 0 | 111.3 | I105 D107 G112 S113 V114 | I105-L110 HydrophobicContact CG2-CB 4.06Å; D107-L110 HydrophobicContact CB-CB 4.22Å; D107-L110 HydrophobicContact CB-CD1 4.15Å; L110-G112 PolarHBondContact O-N 2.95Å; L110-S113 PolarHBondContact O-N 3.3Å; L110-V114 WeakPolarHBondContact O-CG2 3.3Å; L110-V114 PolarHBondContact O-N 3Å |
| 111 | H | 88.8 | Confident | 86.7 | Confident | 23 Ų | 23 | 79.9 Ų | 79.9 | 11% | 0.106 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 176.9 | 177.5 | -103.5 | 0 | 0 | 0 | 111.9 | Q98 T101 A102 I105 D107 S113 V114 W115 | Q98-H111 PolarHBondContact O-NE2 3.27Å; T101-H111 VanDerWaalsContact C-CD2 3.44Å; T101-H111 PolarHBondContact OG1-NE2 3.27Å; A102-H111 WeakPolarHBondContact CA-CD2 3.25Å; A102-H111 WeakPolarHBondContact CA-NE2 3.44Å; A102-H111 PolarHBondContact N-CD2 2.84Å; A102-H111 VanDerWaalsContact N-CD2 3.31Å; A102-H111 PolarHBondContact N-NE2 3.38Å; A102-H111 VanDerWaalsContact N-NE2 3.11Å; I105-H111 HydrophobicContact CB-CB 4.36Å; I105-H111 HydrophobicContact CG2-CB 4.15Å; D107-H111 WeakPolarHBondContact O-CB 3.35Å; D107-H111 PolarHBondContact O-N 2.73Å; H111-S113 VanDerWaalsContact C-N 3.35Å; H111-S113 PolarHBondContact O-N 2.77Å; H111-V114 PolarHBondContact O-N 2.98Å; H111-W115 WeakPolarHBondContact O-CB 3.41Å; H111-W115 PolarHBondContact O-N 2.79Å |
| 112 | G | 86.4 | Confident | 86.6 | Confident | 38 Ų | 38 | 80.6 Ų | 80.6 | 39% | 0.392 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | P108 L110 S116 | P108-G112 PolarHBondContact O-N 2.96Å; P108-G112 VanDerWaalsContact O-N 3.16Å; L110-G112 PolarHBondContact O-N 2.95Å; G112-S116 PolarHBondContact O-N 2.95Å; G112-S116 VanDerWaalsContact O-N 3.17Å; G112-S116 PolarHBondContact O-OG 3.31Å |
| 113 | S | 86.8 | Confident | 86.4 | Confident | 71 Ų | 71 | 80 Ų | 80 | 50% | 0.497 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.1 | -48.6 | 178.7 | -171.3 | 0 | 0 | 0 | 0 | 111.8 | S109 L110 H111 W115 S116 | S109-S113 PolarHBondContact O-N 3.14Å; L110-S113 PolarHBondContact O-N 3.3Å; H111-S113 VanDerWaalsContact C-N 3.35Å; H111-S113 PolarHBondContact O-N 2.77Å; S113-W115 VanDerWaalsContact C-N 3.33Å; S113-W115 PolarHBondContact O-N 2.96Å; S113-S116 PolarHBondContact O-N 3.49Å; S113-S116 PolarHBondContact O-OG 2.97Å |
| 114 | V | 86.7 | Confident | 85.8 | Confident | 72 Ų | 72 | 73.9 Ų | 73.9 | 44% | 0.436 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 178.8 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | I105 L110 H111 W117 L118 | I105-V114 HydrophobicContact CD1-CB 4.17Å; I105-V114 HydrophobicContact CD1-CG1 4.13Å; I105-V114 HydrophobicContact CD1-CG2 4.43Å; L110-V114 WeakPolarHBondContact O-CG2 3.3Å; L110-V114 PolarHBondContact O-N 3Å; H111-V114 PolarHBondContact O-N 2.98Å; V114-W117 PolarHBondContact O-N 2.76Å; V114-L118 VanDerWaalsContact O-CB 3.31Å; V114-L118 WeakPolarHBondContact O-CB 3.38Å; V114-L118 PolarHBondContact O-N 3.49Å |
| 115 | W | 91.3 | Very high | 85.5 | Confident | 14 Ų | 14 | 70.7 Ų | 70.7 | 5% | 0.053 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.9 | -42.7 | -179.4 | -179.3 | -102.6 | 0 | 0 | 0 | 112.5 | I94 L97 Q98 H111 S113 W117 L118 E119 | I94-W115 HydrophobicContact CG2-CH2 4.27Å; I94-W115 HydrophobicContact CG2-CZ2 3.77Å; I94-W115 WeakPolarHBondContact O-CH2 3.41Å; L97-W115 HydrophobicContact CB-CH2 4.07Å; L97-W115 HydrophobicContact CB-CZ3 4.12Å; L97-W115 HydrophobicContact CD2-CH2 4.37Å; L97-W115 HydrophobicContact CD2-CZ3 4.11Å; L97-W115 HydrophobicContact CG-CH2 4.38Å; L97-W115 HydrophobicContact CG-CZ3 4Å; Q98-W115 VanDerWaalsContact CA-CZ3 3.43Å; Q98-W115 HydrophobicContact CB-CD2 4.19Å; Q98-W115 HydrophobicContact CB-CE3 4.24Å; Q98-W115 HydrophobicContact CB-CH2 3.57Å; Q98-W115 HydrophobicContact CB-CZ2 3.47Å; Q98-W115 VanDerWaalsContact CB-CZ2 3.47Å; Q98-W115 HydrophobicContact CB-CZ3 3.96Å; Q98-W115 HydrophobicContact CG-CD2 3.82Å; Q98-W115 HydrophobicContact CG-CE3 4.25Å; Q98-W115 HydrophobicContact CG-CG 4.31Å; Q98-W115 HydrophobicContact CG-CH2 4.25Å; Q98-W115 HydrophobicContact CG-CZ2 3.79Å; Q98-W115 HydrophobicContact CG-CZ3 4.46Å; Q98-W115 VanDerWaalsContact N-CH2 3.29Å; H111-W115 WeakPolarHBondContact O-CB 3.41Å; H111-W115 PolarHBondContact O-N 2.79Å; S113-W115 VanDerWaalsContact C-N 3.33Å; S113-W115 PolarHBondContact O-N 2.96Å; W115-W117 PolarHBondContact O-N 2.87Å; W115-L118 HydrophobicContact CE3-CD2 4.07Å; W115-L118 HydrophobicContact CZ3-CD2 4.01Å; W115-L118 PolarHBondContact O-N 2.9Å; W115-E119 HydrophobicContact CZ2-CB 4.35Å; W115-E119 PolarHBondContact NE1-OE2 3.31Å; W115-E119 VanDerWaalsContact O-CB 3.25Å; W115-E119 WeakPolarHBondContact O-CB 3.25Å; W115-E119 PolarHBondContact O-N 2.99Å |
| 116 | S | 88 | Confident | 85.1 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 45% | 0.448 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | -179.7 | 61.2 | 0 | 0 | 0 | 0 | 112.9 | G112 S113 F120 | G112-S116 PolarHBondContact O-N 2.95Å; G112-S116 VanDerWaalsContact O-N 3.17Å; G112-S116 PolarHBondContact O-OG 3.31Å; S113-S116 PolarHBondContact O-N 3.49Å; S113-S116 PolarHBondContact O-OG 2.97Å; S116-F120 WeakPolarHBondContact O-CB 3.13Å; S116-F120 PolarHBondContact O-N 2.93Å; S116-F120 VanDerWaalsContact O-N 3.09Å |
| 117 | W | 88.1 | Confident | 84.6 | Confident | 177 Ų | 177 | 68.1 Ų | 68.1 | 67% | 0.67 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -66.7 | -43.5 | 173 | -81 | 97.9 | 0 | 0 | 0 | 112.3 | V114 W115 F120 I121 | V114-W117 PolarHBondContact O-N 2.76Å; W115-W117 PolarHBondContact O-N 2.87Å; W117-F120 PolarHBondContact O-N 3.16Å; W117-I121 VanDerWaalsContact O-CG1 3.28Å; W117-I121 WeakPolarHBondContact O-CG1 3.47Å; W117-I121 PolarHBondContact O-N 3.11Å |
| 118 | L | 87.6 | Confident | 83.8 | Confident | 51 Ų | 51 | 67.6 Ų | 67.6 | 27% | 0.267 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 179.9 | -175.2 | 65.9 | 0 | 0 | 0 | 111.6 | L97 T101 V114 W115 F120 I121 L122 | L97-L118 HydrophobicContact CD2-CD2 4.15Å; T101-L118 HydrophobicContact CG2-CD2 4.09Å; V114-L118 VanDerWaalsContact O-CB 3.31Å; V114-L118 WeakPolarHBondContact O-CB 3.38Å; V114-L118 PolarHBondContact O-N 3.49Å; W115-L118 HydrophobicContact CE3-CD2 4.07Å; W115-L118 HydrophobicContact CZ3-CD2 4.01Å; W115-L118 PolarHBondContact O-N 2.9Å; L118-F120 VanDerWaalsContact C-N 3.35Å; L118-F120 PolarHBondContact O-N 3.24Å; L118-I121 PolarHBondContact O-N 3.43Å; L118-L122 HydrophobicContact CD1-CD1 3.61Å; L118-L122 HydrophobicContact CG-CD1 4.07Å; L118-L122 WeakPolarHBondContact O-CB 3.35Å; L118-L122 WeakPolarHBondContact O-CD1 3.44Å; L118-L122 PolarHBondContact O-N 3.34Å |
| 119 | E | 87.8 | Confident | 83 | Confident | 77 Ų | 77 | 68.2 Ų | 68.2 | 36% | 0.36 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 177.1 | -176.8 | 176.6 | 173.6 | 0 | 0 | 110.8 | W115 T123 | W115-E119 HydrophobicContact CZ2-CB 4.35Å; W115-E119 PolarHBondContact NE1-OE2 3.31Å; W115-E119 VanDerWaalsContact O-CB 3.25Å; W115-E119 WeakPolarHBondContact O-CB 3.25Å; W115-E119 PolarHBondContact O-N 2.99Å; E119-T123 WeakPolarHBondContact O-CB 3.38Å; E119-T123 PolarHBondContact O-N 3.43Å; E119-T123 PolarHBondContact O-OG1 3.44Å |
| 120 | F | 86.2 | Confident | 82.3 | Confident | 134 Ų | 134 | 69.9 Ų | 69.9 | 59% | 0.588 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -59.6 | -47.9 | 175.6 | 176.7 | -101.9 | 0 | 0 | 0 | 112.1 | S116 W117 L118 S124 | S116-F120 WeakPolarHBondContact O-CB 3.13Å; S116-F120 PolarHBondContact O-N 2.93Å; S116-F120 VanDerWaalsContact O-N 3.09Å; W117-F120 PolarHBondContact O-N 3.16Å; L118-F120 VanDerWaalsContact C-N 3.35Å; L118-F120 PolarHBondContact O-N 3.24Å; F120-S124 WeakPolarHBondContact O-CB 3.17Å; F120-S124 PolarHBondContact O-N 3.44Å; F120-S124 PolarHBondContact O-OG 2.93Å |
| 121 | I | 85.9 | Confident | 81.4 | Confident | 89 Ų | 89 | 66.2 Ų | 66.2 | 46% | 0.456 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.8 | -50.2 | 179.9 | -68.5 | 167.3 | 0 | 0 | 0 | 110.6 | W117 L118 T123 S124 V125 | W117-I121 VanDerWaalsContact O-CG1 3.28Å; W117-I121 WeakPolarHBondContact O-CG1 3.47Å; W117-I121 PolarHBondContact O-N 3.11Å; L118-I121 PolarHBondContact O-N 3.43Å; I121-T123 VanDerWaalsContact C-N 3.34Å; I121-T123 PolarHBondContact O-N 3.33Å; I121-S124 PolarHBondContact O-N 2.86Å; I121-V125 HydrophobicContact CG2-CG2 4.12Å; I121-V125 WeakPolarHBondContact O-CB 3.34Å; I121-V125 VanDerWaalsContact O-CG2 3.23Å; I121-V125 WeakPolarHBondContact O-CG2 3.27Å; I121-V125 PolarHBondContact O-N 3.35Å |
| 122 | L | 86.6 | Confident | 80.2 | Confident | 38 Ų | 38 | 70.2 Ų | 70.2 | 20% | 0.199 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.9 | -46.8 | -179.6 | -102.6 | 65.1 | 0 | 0 | 0 | 111.5 | F89 F93 I94 L97 L118 S124 V125 F126 | F89-L122 HydrophobicContact CZ-CB 4.25Å; F93-L122 HydrophobicContact CE1-CD2 3.66Å; F93-L122 HydrophobicContact CZ-CD2 4.42Å; I94-L122 HydrophobicContact CD1-CB 4.45Å; I94-L122 HydrophobicContact CD1-CD2 4.28Å; L97-L122 HydrophobicContact CD2-CD2 3.25Å; L118-L122 HydrophobicContact CD1-CD1 3.61Å; L118-L122 HydrophobicContact CG-CD1 4.07Å; L118-L122 WeakPolarHBondContact O-CB 3.35Å; L118-L122 WeakPolarHBondContact O-CD1 3.44Å; L118-L122 PolarHBondContact O-N 3.34Å; L122-S124 VanDerWaalsContact C-N 3.34Å; L122-S124 PolarHBondContact O-N 3.29Å; L122-V125 PolarHBondContact O-N 3.25Å; L122-F126 WeakPolarHBondContact O-CB 3.2Å; L122-F126 PolarHBondContact O-N 3.43Å |
| 123 | T | 83.8 | Confident | 79 | Confident | 29 Ų | 29 | 70.6 Ų | 70.6 | 18% | 0.178 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.6 | -40.1 | -179.4 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | Y90 E119 I121 S127 | Y90-T123 HydrophobicContact CE1-CG2 4.1Å; Y90-T123 WeakPolarHBondContact OH-CG2 3.17Å; E119-T123 WeakPolarHBondContact O-CB 3.38Å; E119-T123 PolarHBondContact O-N 3.43Å; E119-T123 PolarHBondContact O-OG1 3.44Å; I121-T123 VanDerWaalsContact C-N 3.34Å; I121-T123 PolarHBondContact O-N 3.33Å; T123-S127 VanDerWaalsContact O-CB 3.27Å; T123-S127 WeakPolarHBondContact O-CB 3.44Å; T123-S127 PolarHBondContact O-N 2.9Å; T123-S127 PolarHBondContact O-OG 2.95Å |
| 124 | S | 77.1 | Confident | 77.8 | Confident | 49 Ų | 49 | 68.9 Ų | 68.9 | 34% | 0.343 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.9 | -46.7 | 177.1 | -62.1 | 0 | 0 | 0 | 0 | 112 | F120 I121 L122 S127 A128 | F120-S124 WeakPolarHBondContact O-CB 3.17Å; F120-S124 PolarHBondContact O-N 3.44Å; F120-S124 PolarHBondContact O-OG 2.93Å; I121-S124 PolarHBondContact O-N 2.86Å; L122-S124 VanDerWaalsContact C-N 3.34Å; L122-S124 PolarHBondContact O-N 3.29Å; S124-S127 PolarHBondContact O-N 3.45Å; S124-A128 WeakPolarHBondContact O-CB 3.47Å; S124-A128 PolarHBondContact O-N 2.93Å |
| 125 | V | 81.5 | Confident | 76.6 | Confident | 72 Ų | 72 | 68 Ų | 68 | 44% | 0.436 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.4 | -45 | 179 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | I121 L122 S127 A128 L129 | I121-V125 HydrophobicContact CG2-CG2 4.12Å; I121-V125 WeakPolarHBondContact O-CB 3.34Å; I121-V125 VanDerWaalsContact O-CG2 3.23Å; I121-V125 WeakPolarHBondContact O-CG2 3.27Å; I121-V125 PolarHBondContact O-N 3.35Å; L122-V125 PolarHBondContact O-N 3.25Å; V125-S127 PolarHBondContact O-N 3.05Å; V125-A128 PolarHBondContact O-N 3.36Å; V125-L129 HydrophobicContact CG1-CD1 3.75Å; V125-L129 HydrophobicContact CG1-CG 4.37Å; V125-L129 WeakPolarHBondContact O-CB 3.48Å; V125-L129 PolarHBondContact O-N 2.84Å |
| 126 | F | 79.9 | Confident | 75.3 | Confident | 32 Ų | 32 | 69.3 Ų | 69.3 | 14% | 0.14 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 175.9 | 178.5 | -90.4 | 0 | 0 | 0 | 111.3 | L86 F89 L122 A128 W130 V131 | L86-F126 HydrophobicContact CD2-CE1 3.69Å; L86-F126 HydrophobicContact CD2-CZ 4.28Å; F89-F126 HydrophobicContact CB-CE1 4.28Å; F89-F126 HydrophobicContact CB-CE2 4.07Å; F89-F126 HydrophobicContact CB-CZ 3.94Å; F89-F126 AromaticContact CD1-CD1 3.91Å; F89-F126 HydrophobicContact CD1-CD1 3.91Å; F89-F126 HydrophobicContact CD1-CD2 4.46Å; F89-F126 HydrophobicContact CD1-CE1 4.24Å; F89-F126 HydrophobicContact CD1-CG 4.04Å; F89-F126 HydrophobicContact CD2-CB 4.39Å; F89-F126 HydrophobicContact CD2-CD1 4.41Å; F89-F126 AromaticContact CD2-CD2 3.51Å; F89-F126 HydrophobicContact CD2-CD2 3.51Å; F89-F126 AromaticContact CD2-CE2 3.83Å; F89-F126 HydrophobicContact CD2-CE2 3.83Å; F89-F126 AromaticContact CD2-CG 3.84Å; F89-F126 HydrophobicContact CD2-CG 3.84Å; F89-F126 HydrophobicContact CD2-CZ 4.41Å; F89-F126 HydrophobicContact CE1-CB 4Å; F89-F126 HydrophobicContact CE1-CD1 4.07Å; F89-F126 AromaticContact CE1-CG 3.96Å; F89-F126 HydrophobicContact CE1-CG 3.96Å; F89-F126 HydrophobicContact CE2-CB 3.79Å; F89-F126 AromaticContact CE2-CD2 3.7Å; F89-F126 HydrophobicContact CE2-CD2 3.7Å; F89-F126 HydrophobicContact CE2-CE2 4.46Å; F89-F126 AromaticContact CE2-CG 3.75Å; F89-F126 HydrophobicContact CE2-CG 3.75Å; F89-F126 HydrophobicContact CG-CD1 4.09Å; F89-F126 AromaticContact CG-CD2 3.92Å; F89-F126 HydrophobicContact CG-CD2 3.92Å; F89-F126 HydrophobicContact CG-CE1 4.16Å; F89-F126 AromaticContact CG-CE2 3.96Å; F89-F126 HydrophobicContact CG-CE2 3.96Å; F89-F126 AromaticContact CG-CG 3.98Å; F89-F126 HydrophobicContact CG-CG 3.98Å; F89-F126 HydrophobicContact CG-CZ 4.08Å; F89-F126 HydrophobicContact CZ-CB 3.56Å; F89-F126 HydrophobicContact CZ-CD1 4.38Å; F89-F126 HydrophobicContact CZ-CD2 4.25Å; F89-F126 AromaticContact CZ-CG 3.8Å; F89-F126 HydrophobicContact CZ-CG 3.8Å; L122-F126 WeakPolarHBondContact O-CB 3.2Å; L122-F126 PolarHBondContact O-N 3.43Å; F126-A128 PolarHBondContact O-N 3.33Å; F126-W130 HydrophobicContact CD2-CB 4.1Å; F126-W130 HydrophobicContact CD2-CG 4.37Å; F126-W130 HydrophobicContact CE2-CB 4.03Å; F126-W130 AromaticContact CE2-CD1 3.62Å; F126-W130 AromaticContact CE2-CG 3.85Å; F126-W130 HydrophobicContact CE2-CG 3.85Å; F126-W130 HydrophobicContact CG-CB 4.48Å; F126-W130 HydrophobicContact CZ-CB 4.33Å; F126-W130 AromaticContact CZ-CD1 3.5Å; F126-W130 HydrophobicContact CZ-CG 4.11Å; F126-W130 WeakPolarHBondContact O-CA 3.2Å; F126-W130 WeakPolarHBondContact O-CB 3.44Å; F126-W130 PolarHBondContact O-N 2.84Å; F126-V131 HydrophobicContact CE1-CG2 4.2Å; F126-V131 PolarHBondContact O-N 3.26Å |
| 127 | S | 70.1 | Confident | 73.8 | Confident | 37 Ų | 37 | 70.5 Ų | 70.5 | 26% | 0.259 | 36% | 0.362 | S | S | . | . | I | π-helix | trans | -63.5 | -41.8 | 176.9 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | T123 S124 V125 V131 L132 | T123-S127 VanDerWaalsContact O-CB 3.27Å; T123-S127 WeakPolarHBondContact O-CB 3.44Å; T123-S127 PolarHBondContact O-N 2.9Å; T123-S127 PolarHBondContact O-OG 2.95Å; S124-S127 PolarHBondContact O-N 3.45Å; V125-S127 PolarHBondContact O-N 3.05Å; S127-V131 WeakPolarHBondContact O-CB 3.19Å; S127-V131 PolarHBondContact O-N 3.43Å; S127-L132 PolarHBondContact O-N 3.13Å |
| 128 | A | 67.6 | Low | 72.6 | Confident | 55 Ų | 55 | 62.2 Ų | 62.2 | 46% | 0.455 | 33% | 0.331 | S | S | . | . | I | π-helix | trans | -75.6 | -41 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | S124 V125 F126 L132 P133 | S124-A128 WeakPolarHBondContact O-CB 3.47Å; S124-A128 PolarHBondContact O-N 2.93Å; V125-A128 PolarHBondContact O-N 3.36Å; F126-A128 PolarHBondContact O-N 3.33Å; A128-L132 WeakPolarHBondContact O-CB 3.02Å; A128-P133 WeakPolarHBondContact O-CD 3.43Å |
| 129 | L | 67.6 | Low | 71.3 | Confident | 123 Ų | 123 | 60.9 Ų | 60.9 | 64% | 0.644 | 32% | 0.323 | S | S | * | . | I | π-helix | trans | -98.6 | -13.2 | -172.1 | -63.7 | -178.3 | 0 | 0 | 0 | 114.2 | V125 P133 | V125-L129 HydrophobicContact CG1-CD1 3.75Å; V125-L129 HydrophobicContact CG1-CG 4.37Å; V125-L129 WeakPolarHBondContact O-CB 3.48Å; V125-L129 PolarHBondContact O-N 2.84Å; L129-P133 VanDerWaalsContact O-CG 3.26Å; L129-P133 WeakPolarHBondContact O-CG 3.23Å |
| 130 | W | 68.6 | Low | 69.8 | Low | 121 Ų | 121 | 60.8 Ų | 60.8 | 46% | 0.458 | 32% | 0.324 | S | S | . | . | I | π-helix | trans | -111.8 | -54.8 | 178.6 | -162.3 | -107.4 | 0 | 0 | 0 | 111.6 | S85 F126 L134 | S85-W130 PolarHBondContact OG-NE1 2.86Å; F126-W130 HydrophobicContact CD2-CB 4.1Å; F126-W130 HydrophobicContact CD2-CG 4.37Å; F126-W130 HydrophobicContact CE2-CB 4.03Å; F126-W130 AromaticContact CE2-CD1 3.62Å; F126-W130 AromaticContact CE2-CG 3.85Å; F126-W130 HydrophobicContact CE2-CG 3.85Å; F126-W130 HydrophobicContact CG-CB 4.48Å; F126-W130 HydrophobicContact CZ-CB 4.33Å; F126-W130 AromaticContact CZ-CD1 3.5Å; F126-W130 HydrophobicContact CZ-CG 4.11Å; F126-W130 WeakPolarHBondContact O-CA 3.2Å; F126-W130 WeakPolarHBondContact O-CB 3.44Å; F126-W130 PolarHBondContact O-N 2.84Å; W130-L134 HydrophobicContact CD2-CD1 4.31Å; W130-L134 HydrophobicContact CG-CD1 4.15Å; W130-L134 VanDerWaalsContact O-CB 3.23Å; W130-L134 WeakPolarHBondContact O-CB 3.36Å; W130-L134 WeakPolarHBondContact O-CG 3.33Å; W130-L134 PolarHBondContact O-N 3.21Å |
| 131 | V | 62.7 | Low | 68.3 | Low | 25 Ų | 25 | 57.1 Ų | 57.1 | 15% | 0.152 | 31% | 0.313 | C | S | . | . | I | π-helix | trans | -68.4 | -43.3 | -174.7 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | F82 F126 S127 F135 | F82-V131 HydrophobicContact CE1-CB 4.36Å; F82-V131 HydrophobicContact CE1-CG1 3.94Å; F126-V131 HydrophobicContact CE1-CG2 4.2Å; F126-V131 PolarHBondContact O-N 3.26Å; S127-V131 WeakPolarHBondContact O-CB 3.19Å; S127-V131 PolarHBondContact O-N 3.43Å; V131-F135 WeakPolarHBondContact O-CB 3.46Å; V131-F135 PolarHBondContact O-N 3.31Å |
| 132 | L | 63.6 | Low | 66.9 | Low | 106 Ų | 106 | 53.1 Ų | 53.1 | 56% | 0.555 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -71.1 | -44.9 | -178 | -166.6 | 159.9 | 0 | 0 | 0 | 112.6 | S127 A128 F135 V136 | S127-L132 PolarHBondContact O-N 3.13Å; A128-L132 WeakPolarHBondContact O-CB 3.02Å; L132-F135 WeakPolarHBondContact O-CB 3.37Å; L132-F135 PolarHBondContact O-N 3.49Å; L132-V136 HydrophobicContact CD2-CG2 4.32Å; L132-V136 WeakPolarHBondContact O-CG2 3.39Å; L132-V136 PolarHBondContact O-N 3.3Å |
| 133 | P | 61.7 | Low | 65.4 | Low | 47 Ų | 47 | 53.1 Ų | 53.1 | 31% | 0.305 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 172.5 | -29.3 | 41.2 | 0 | 0 | 0 | 112.4 | A128 L129 F135 V136 L137 | A128-P133 WeakPolarHBondContact O-CD 3.43Å; L129-P133 VanDerWaalsContact O-CG 3.26Å; L129-P133 WeakPolarHBondContact O-CG 3.23Å; P133-F135 PolarHBondContact O-N 3.01Å; P133-V136 CarbonylContact O-C 3.56Å; P133-V136 PolarHBondContact O-N 2.92Å; P133-V136 VanDerWaalsContact O-N 3.11Å; P133-L137 HydrophobicContact CB-CD1 4.38Å; P133-L137 WeakPolarHBondContact O-CB 3.26Å; P133-L137 VanDerWaalsContact O-CD1 3.3Å; P133-L137 WeakPolarHBondContact O-CD1 3.48Å; P133-L137 PolarHBondContact O-N 3.32Å |
| 134 | L | 61.1 | Low | 64 | Low | 35 Ų | 35 | 56.4 Ų | 56.4 | 18% | 0.183 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.6 | -32.1 | 175.5 | -76.4 | 174.7 | 0 | 0 | 0 | 112.4 | F82 W130 S138 | F82-L134 HydrophobicContact CD1-CD1 4.25Å; F82-L134 HydrophobicContact CD2-CB 4.25Å; F82-L134 HydrophobicContact CD2-CD1 4.23Å; F82-L134 HydrophobicContact CE1-CB 3.78Å; F82-L134 HydrophobicContact CE1-CD1 4.07Å; F82-L134 HydrophobicContact CE2-CB 3.35Å; F82-L134 HydrophobicContact CE2-CD1 4.11Å; F82-L134 HydrophobicContact CE2-CG 4.26Å; F82-L134 HydrophobicContact CG-CD1 4.37Å; F82-L134 HydrophobicContact CZ-CB 3.07Å; F82-L134 HydrophobicContact CZ-CD1 4.06Å; F82-L134 HydrophobicContact CZ-CG 4.2Å; W130-L134 HydrophobicContact CD2-CD1 4.31Å; W130-L134 HydrophobicContact CG-CD1 4.15Å; W130-L134 VanDerWaalsContact O-CB 3.23Å; W130-L134 WeakPolarHBondContact O-CB 3.36Å; W130-L134 WeakPolarHBondContact O-CG 3.33Å; W130-L134 PolarHBondContact O-N 3.21Å; L134-S138 WeakPolarHBondContact O-CB 3.34Å; L134-S138 PolarHBondContact O-N 3.16Å |
| 135 | F | 61.9 | Low | 62.8 | Low | 52 Ų | 52 | 57.2 Ų | 57.2 | 23% | 0.228 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.5 | -44 | 172 | 173.2 | -83.8 | 0 | 0 | 0 | 111.7 | V131 L132 P133 S138 K139 Y215 F266 | V131-F135 WeakPolarHBondContact O-CB 3.46Å; V131-F135 PolarHBondContact O-N 3.31Å; L132-F135 WeakPolarHBondContact O-CB 3.37Å; L132-F135 PolarHBondContact O-N 3.49Å; P133-F135 PolarHBondContact O-N 3.01Å; F135-S138 PolarHBondContact O-N 2.93Å; F135-K139 PolarHBondContact O-N 2.9Å; F135-K139 VanDerWaalsContact O-N 3.16Å; F135-Y215 AromaticContact CZ-CE2 3.8Å; F135-Y215 HydrophobicContact CZ-CE2 3.8Å; F135-F266 AromaticContact CD2-CD1 3.65Å; F135-F266 HydrophobicContact CD2-CD1 3.65Å; F135-F266 AromaticContact CD2-CE1 3.6Å; F135-F266 HydrophobicContact CD2-CE1 3.6Å; F135-F266 AromaticContact CE2-CD1 3.28Å; F135-F266 HydrophobicContact CE2-CD1 3.28Å; F135-F266 AromaticContact CE2-CE1 2.98Å; F135-F266 HydrophobicContact CE2-CE1 2.98Å; F135-F266 HydrophobicContact CE2-CE2 4.33Å; F135-F266 HydrophobicContact CE2-CG 4.1Å; F135-F266 AromaticContact CE2-CZ 3.57Å; F135-F266 HydrophobicContact CE2-CZ 3.57Å; F135-F266 HydrophobicContact CZ-CD1 4.35Å; F135-F266 AromaticContact CZ-CE1 3.66Å; F135-F266 HydrophobicContact CZ-CE1 3.66Å; F135-F266 AromaticContact CZ-CZ 3.87Å; F135-F266 HydrophobicContact CZ-CZ 3.87Å |
| 136 | V | 63.4 | Low | 61.4 | Low | 42 Ų | 42 | 54.8 Ų | 54.8 | 26% | 0.255 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 175 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | L132 P133 S138 K139 I140 | L132-V136 HydrophobicContact CD2-CG2 4.32Å; L132-V136 WeakPolarHBondContact O-CG2 3.39Å; L132-V136 PolarHBondContact O-N 3.3Å; P133-V136 CarbonylContact O-C 3.56Å; P133-V136 PolarHBondContact O-N 2.92Å; P133-V136 VanDerWaalsContact O-N 3.11Å; V136-S138 VanDerWaalsContact C-N 3.33Å; V136-S138 PolarHBondContact O-N 3.35Å; V136-K139 WeakPolarHBondContact O-CA 3.48Å; V136-K139 WeakPolarHBondContact O-CB 3.49Å; V136-K139 PolarHBondContact O-N 2.69Å; V136-K139 VanDerWaalsContact O-N 3.11Å; V136-I140 HydrophobicContact CG1-CD1 3.94Å; V136-I140 WeakPolarHBondContact O-CG1 3.28Å; V136-I140 PolarHBondContact O-N 3.43Å |
| 137 | L | 57.8 | Low | 60.1 | Low | 90 Ų | 90 | 58.6 Ų | 58.6 | 47% | 0.471 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62 | -39.5 | 174.4 | -92.6 | 131 | 0 | 0 | 0 | 111.2 | P133 K139 I140 V141 | P133-L137 HydrophobicContact CB-CD1 4.38Å; P133-L137 WeakPolarHBondContact O-CB 3.26Å; P133-L137 VanDerWaalsContact O-CD1 3.3Å; P133-L137 WeakPolarHBondContact O-CD1 3.48Å; P133-L137 PolarHBondContact O-N 3.32Å; L137-K139 VanDerWaalsContact C-N 3.31Å; L137-K139 PolarHBondContact O-N 2.98Å; L137-I140 PolarHBondContact O-N 2.94Å; L137-V141 VanDerWaalsContact O-CB 3.31Å; L137-V141 WeakPolarHBondContact O-CB 3.29Å; L137-V141 VanDerWaalsContact O-CG2 3.24Å; L137-V141 WeakPolarHBondContact O-CG2 2.87Å; L137-V141 PolarHBondContact O-N 3.12Å |
| 138 | S | 61.7 | Low | 59.2 | Low | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 172.5 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | N78 L134 F135 V136 I140 N142 | N78-S138 PolarHBondContact ND2-OG 2.77Å; L134-S138 WeakPolarHBondContact O-CB 3.34Å; L134-S138 PolarHBondContact O-N 3.16Å; F135-S138 PolarHBondContact O-N 2.93Å; V136-S138 VanDerWaalsContact C-N 3.33Å; V136-S138 PolarHBondContact O-N 3.35Å; S138-I140 PolarHBondContact O-N 3.32Å; S138-N142 WeakPolarHBondContact O-CB 3.15Å; S138-N142 PolarHBondContact O-N 2.88Å; S138-N142 PolarHBondContact O-ND2 2.98Å; S138-N142 PolarHBondContact OG-ND2 3.21Å |
| 139 | K | 60.4 | Low | 58.4 | Low | 22 Ų | 22 | 61.2 Ų | 61.2 | 10% | 0.096 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 172.8 | -77.2 | -160.3 | 171.3 | -167.2 | 0 | 113 | F135 V136 L137 A143 Y219 F270 | F135-K139 PolarHBondContact O-N 2.9Å; F135-K139 VanDerWaalsContact O-N 3.16Å; V136-K139 WeakPolarHBondContact O-CA 3.48Å; V136-K139 WeakPolarHBondContact O-CB 3.49Å; V136-K139 PolarHBondContact O-N 2.69Å; V136-K139 VanDerWaalsContact O-N 3.11Å; L137-K139 VanDerWaalsContact C-N 3.31Å; L137-K139 PolarHBondContact O-N 2.98Å; K139-A143 WeakPolarHBondContact O-CB 3.35Å; K139-A143 PolarHBondContact O-N 2.79Å; K139-Y219 WeakPolarHBondContact CA-OH 3.44Å; K139-Y219 PolarHBondContact O-OH 3.47Å; K139-F270 HydrophobicContact CG-CE1 3.82Å; K139-F270 HydrophobicContact CG-CZ 4.25Å |
| 140 | I | 57 | Low | 57.5 | Low | 76 Ų | 76 | 56.1 Ų | 56.1 | 39% | 0.39 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -71.1 | -46.8 | -178.7 | -66.5 | 167.7 | 0 | 0 | 0 | 111.1 | V136 L137 S138 N142 A143 I144 | V136-I140 HydrophobicContact CG1-CD1 3.94Å; V136-I140 WeakPolarHBondContact O-CG1 3.28Å; V136-I140 PolarHBondContact O-N 3.43Å; L137-I140 PolarHBondContact O-N 2.94Å; S138-I140 PolarHBondContact O-N 3.32Å; I140-N142 VanDerWaalsContact C-N 3.31Å; I140-N142 PolarHBondContact O-N 2.9Å; I140-A143 WeakPolarHBondContact O-CA 3.36Å; I140-A143 WeakPolarHBondContact O-CB 3.41Å; I140-A143 PolarHBondContact O-N 2.73Å; I140-I144 HydrophobicContact CG2-CD1 3.79Å; I140-I144 HydrophobicContact CG2-CG1 4.38Å; I140-I144 WeakPolarHBondContact O-CG1 3.47Å; I140-I144 PolarHBondContact O-N 3.16Å |
| 141 | V | 54.2 | Low | 56.8 | Low | 57 Ų | 57 | 54.6 Ų | 54.6 | 35% | 0.345 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 176 | 171 | 0 | 0 | 0 | 0 | 108.8 | L137 A143 I144 W145 | L137-V141 VanDerWaalsContact O-CB 3.31Å; L137-V141 WeakPolarHBondContact O-CB 3.29Å; L137-V141 VanDerWaalsContact O-CG2 3.24Å; L137-V141 WeakPolarHBondContact O-CG2 2.87Å; L137-V141 PolarHBondContact O-N 3.12Å; V141-A143 VanDerWaalsContact C-N 3.32Å; V141-A143 PolarHBondContact O-N 2.93Å; V141-I144 PolarHBondContact O-N 3.18Å; V141-W145 WeakPolarHBondContact O-CB 3.38Å; V141-W145 PolarHBondContact O-N 3Å; V141-W145 VanDerWaalsContact O-N 3.07Å |
| 142 | N | 56.8 | Low | 56.2 | Low | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.7 | -41 | 173.3 | -71 | -37.1 | 0 | 0 | 0 | 111.9 | C74 S138 I140 W145 F146 I274 | C74-N142 PolarHBondContact SG-OD1 3.45Å; C74-N142 VanDerWaalsContact SG-OD1 3.41Å; S138-N142 WeakPolarHBondContact O-CB 3.15Å; S138-N142 PolarHBondContact O-N 2.88Å; S138-N142 PolarHBondContact O-ND2 2.98Å; S138-N142 PolarHBondContact OG-ND2 3.21Å; I140-N142 VanDerWaalsContact C-N 3.31Å; I140-N142 PolarHBondContact O-N 2.9Å; N142-W145 PolarHBondContact O-N 3.32Å; N142-F146 HydrophobicContact CB-CD2 4.37Å; N142-F146 HydrophobicContact CB-CE2 4.26Å; N142-F146 WeakPolarHBondContact O-CD2 3.21Å; N142-F146 PolarHBondContact O-N 2.95Å; N142-I274 HydrophobicContact CB-CD1 4.36Å |
| 143 | A | 54.9 | Low | 55.3 | Low | 39 Ų | 39 | 53.6 Ų | 53.6 | 32% | 0.322 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | K139 I140 V141 W145 F146 Q147 Y219 | K139-A143 WeakPolarHBondContact O-CB 3.35Å; K139-A143 PolarHBondContact O-N 2.79Å; I140-A143 WeakPolarHBondContact O-CA 3.36Å; I140-A143 WeakPolarHBondContact O-CB 3.41Å; I140-A143 PolarHBondContact O-N 2.73Å; V141-A143 VanDerWaalsContact C-N 3.32Å; V141-A143 PolarHBondContact O-N 2.93Å; A143-W145 PolarHBondContact O-N 3.22Å; A143-F146 PolarHBondContact O-N 3.23Å; A143-Q147 PolarHBondContact O-N 3.46Å; A143-Y219 HydrophobicContact CB-CE1 3.86Å |
| 144 | I | 53.8 | Low | 54.9 | Low | 98 Ų | 98 | 55 Ų | 55 | 50% | 0.503 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.4 | -37.6 | 177.9 | -68 | 166.8 | 0 | 0 | 0 | 110.4 | I140 V141 Q147 | I140-I144 HydrophobicContact CG2-CD1 3.79Å; I140-I144 HydrophobicContact CG2-CG1 4.38Å; I140-I144 WeakPolarHBondContact O-CG1 3.47Å; I140-I144 PolarHBondContact O-N 3.16Å; V141-I144 PolarHBondContact O-N 3.18Å; I144-Q147 WeakPolarHBondContact O-CB 3.49Å; I144-Q147 PolarHBondContact O-N 3.03Å |
| 145 | W | 53.3 | Low | 54.5 | Low | 65 Ų | 65 | 59.1 Ų | 59.1 | 25% | 0.246 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -80.1 | -27.9 | -173.6 | -139.7 | 91.6 | 0 | 0 | 0 | 113.7 | V67 R70 I71 V141 N142 A143 Q147 | V67-W145 HydrophobicContact CG1-CZ3 4.25Å; R70-W145 HydrophobicContact CB-CH2 3.04Å; R70-W145 HydrophobicContact CB-CZ2 2.98Å; R70-W145 HydrophobicContact CB-CZ3 4.21Å; R70-W145 HydrophobicContact CG-CH2 4.29Å; R70-W145 HydrophobicContact CG-CZ2 4.16Å; R70-W145 WeakPolarHBondContact O-CH2 3.28Å; R70-W145 WeakPolarHBondContact O-CZ2 3.25Å; I71-W145 HydrophobicContact CB-CH2 4.38Å; I71-W145 HydrophobicContact CG1-CH2 3.8Å; I71-W145 HydrophobicContact CG1-CZ3 3.73Å; V141-W145 WeakPolarHBondContact O-CB 3.38Å; V141-W145 PolarHBondContact O-N 3Å; V141-W145 VanDerWaalsContact O-N 3.07Å; N142-W145 PolarHBondContact O-N 3.32Å; A143-W145 PolarHBondContact O-N 3.22Å; W145-Q147 VanDerWaalsContact C-N 3.34Å |
| 146 | F | 50.8 | Low | 53.8 | Low | 21 Ų | 21 | 60 Ų | 60 | 9% | 0.092 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -85.1 | -8.8 | 169.2 | -70.3 | -63.4 | 0 | 0 | 0 | 112.9 | N142 A143 I149 A150 I274 I275 | N142-F146 HydrophobicContact CB-CD2 4.37Å; N142-F146 HydrophobicContact CB-CE2 4.26Å; N142-F146 WeakPolarHBondContact O-CD2 3.21Å; N142-F146 PolarHBondContact O-N 2.95Å; A143-F146 PolarHBondContact O-N 3.23Å; F146-I149 HydrophobicContact CD1-CD1 3.95Å; F146-I149 HydrophobicContact CE1-CD1 4.32Å; F146-I149 PolarHBondContact O-N 3.24Å; F146-A150 WeakPolarHBondContact O-CB 3.21Å; F146-A150 PolarHBondContact O-N 2.99Å; F146-I274 HydrophobicContact CD2-CG2 4.04Å; F146-I274 HydrophobicContact CE2-CB 4.29Å; F146-I274 HydrophobicContact CE2-CD1 4.34Å; F146-I274 HydrophobicContact CE2-CG2 3.7Å; F146-I274 HydrophobicContact CZ-CG2 4.06Å; F146-I275 HydrophobicContact CE1-CG1 3.97Å; F146-I275 HydrophobicContact CZ-CD1 4.4Å; F146-I275 HydrophobicContact CZ-CG1 3.89Å |
| 147 | Q | 53.4 | Low | 53 | Low | 113 Ų | 113 | 62 Ų | 62 | 53% | 0.528 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.9 | -47.3 | 178.8 | -138.6 | 166 | -15.9 | 0 | 0 | 110.9 | A143 I144 W145 I149 A150 D151 | A143-Q147 PolarHBondContact O-N 3.46Å; I144-Q147 WeakPolarHBondContact O-CB 3.49Å; I144-Q147 PolarHBondContact O-N 3.03Å; W145-Q147 VanDerWaalsContact C-N 3.34Å; Q147-I149 VanDerWaalsContact C-N 3.28Å; Q147-I149 PolarHBondContact O-N 2.95Å; Q147-A150 PolarHBondContact O-N 2.93Å; Q147-A150 VanDerWaalsContact O-N 3.17Å; Q147-D151 WeakPolarHBondContact O-CB 3.17Å; Q147-D151 PolarHBondContact O-N 3.14Å |
| 148 | D | 50.7 | Low | 52.4 | Low | 103 Ų | 103 | 60.8 Ų | 60.8 | 55% | 0.551 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -60.7 | -36.7 | 175 | -68 | -19.2 | 0 | 0 | 0 | 112.5 | L152 | D148-L152 VanDerWaalsContact O-CD1 3.28Å; D148-L152 WeakPolarHBondContact O-CD1 3.41Å; D148-L152 PolarHBondContact O-N 3.36Å; D148-L152 VanDerWaalsContact O-N 3.12Å |
| 149 | I | 51.6 | Low | 51.9 | Low | 43 Ų | 43 | 64.7 Ų | 64.7 | 22% | 0.221 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -73.3 | -38.9 | 178.5 | -61.1 | 172.4 | 0 | 0 | 0 | 110.5 | I33 V67 F146 Q147 A153 | I33-I149 HydrophobicContact CD1-CG2 4.24Å; V67-I149 HydrophobicContact CG1-CD1 3.85Å; F146-I149 HydrophobicContact CD1-CD1 3.95Å; F146-I149 HydrophobicContact CE1-CD1 4.32Å; F146-I149 PolarHBondContact O-N 3.24Å; Q147-I149 VanDerWaalsContact C-N 3.28Å; Q147-I149 PolarHBondContact O-N 2.95Å; I149-A153 WeakPolarHBondContact O-CB 3.26Å; I149-A153 PolarHBondContact O-N 3.26Å |
| 150 | A | 48.9 | Very low | 51.1 | Low | 17 Ų | 17 | 72.8 Ų | 72.8 | 14% | 0.14 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -68 | -41.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | F146 Q147 A153 F154 N223 | F146-A150 WeakPolarHBondContact O-CB 3.21Å; F146-A150 PolarHBondContact O-N 2.99Å; Q147-A150 PolarHBondContact O-N 2.93Å; Q147-A150 VanDerWaalsContact O-N 3.17Å; A150-A153 PolarHBondContact O-N 3.06Å; A150-F154 VanDerWaalsContact O-CB 3.26Å; A150-F154 WeakPolarHBondContact O-CB 3.16Å; A150-F154 PolarHBondContact O-N 3.34Å; A150-N223 WeakPolarHBondContact CB-ND2 3.43Å |
| 151 | D | 53 | Low | 50.5 | Low | 88 Ų | 88 | 72.5 Ų | 72.5 | 47% | 0.471 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 175.8 | -70.6 | -21.8 | 0 | 0 | 0 | 110.8 | Q147 F154 E155 | Q147-D151 WeakPolarHBondContact O-CB 3.17Å; Q147-D151 PolarHBondContact O-N 3.14Å; D151-F154 PolarHBondContact O-N 3.06Å; D151-E155 WeakPolarHBondContact O-CB 3.4Å; D151-E155 PolarHBondContact O-N 3.22Å |
| 152 | L | 49.4 | Very low | 50.1 | Low | 60 Ų | 60 | 77.3 Ų | 77.3 | 31% | 0.314 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 171.6 | -103.5 | 89.6 | 0 | 0 | 0 | 112.7 | D148 F154 V156 | D148-L152 VanDerWaalsContact O-CD1 3.28Å; D148-L152 WeakPolarHBondContact O-CD1 3.41Å; D148-L152 PolarHBondContact O-N 3.36Å; D148-L152 VanDerWaalsContact O-N 3.12Å; L152-F154 VanDerWaalsContact C-N 3.34Å; L152-V156 WeakPolarHBondContact O-CG2 3.39Å; L152-V156 PolarHBondContact O-N 3.11Å |
| 153 | A | 46.3 | Very low | 49.5 | Very low | 50 Ų | 50 | 82.7 Ų | 82.7 | 41% | 0.413 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.2 | -37.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I149 A150 S157 | I149-A153 WeakPolarHBondContact O-CB 3.26Å; I149-A153 PolarHBondContact O-N 3.26Å; A150-A153 PolarHBondContact O-N 3.06Å; A153-S157 WeakPolarHBondContact O-CB 3.5Å; A153-S157 PolarHBondContact O-N 2.72Å; A153-S157 VanDerWaalsContact O-N 3.08Å; A153-S157 PolarHBondContact O-OG 3.09Å |
| 154 | F | 52.5 | Low | 49.1 | Very low | 77 Ų | 77 | 88.6 Ų | 88.6 | 34% | 0.338 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.6 | -46.3 | 178.9 | -168 | -93.2 | 0 | 0 | 0 | 111.8 | A150 D151 L152 V156 S157 V159 A161 | A150-F154 VanDerWaalsContact O-CB 3.26Å; A150-F154 WeakPolarHBondContact O-CB 3.16Å; A150-F154 PolarHBondContact O-N 3.34Å; D151-F154 PolarHBondContact O-N 3.06Å; L152-F154 VanDerWaalsContact C-N 3.34Å; F154-V156 PolarHBondContact O-N 2.94Å; F154-S157 PolarHBondContact O-N 3.32Å; F154-S157 VanDerWaalsContact O-N 3.14Å; F154-V159 WeakPolarHBondContact CE1-O 3.39Å; F154-V159 HydrophobicContact CE2-CB 4.1Å; F154-V159 HydrophobicContact CE2-CG1 4.04Å; F154-V159 HydrophobicContact CZ-CB 4.09Å; F154-V159 HydrophobicContact CZ-CG1 4Å; F154-V159 VanDerWaalsContact CZ-O 3.31Å; F154-V159 WeakPolarHBondContact CZ-O 3.35Å; F154-A161 HydrophobicContact CE1-CB 4Å |
| 155 | E | 53.5 | Low | 49.3 | Very low | 121 Ų | 121 | 87 Ų | 87 | 57% | 0.565 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -57.6 | -38.5 | 176.4 | -166.7 | -175.4 | 169 | 0 | 0 | 111.5 | Q40 D151 | Q40-E155 PolarHBondContact NE2-OE1 3.03Å; Q40-E155 PolarHBondContact NE2-OE2 3.21Å; Q40-E155 VanDerWaalsContact NE2-OE2 3.16Å; D151-E155 WeakPolarHBondContact O-CB 3.4Å; D151-E155 PolarHBondContact O-N 3.22Å |
| 156 | V | 46.8 | Very low | 49.8 | Very low | 72 Ų | 72 | 87.6 Ų | 87.6 | 44% | 0.436 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -81.8 | -22 | -179 | -172.9 | 0 | 0 | 0 | 0 | 113.1 | K36 L152 F154 G158 | K36-V156 HydrophobicContact CD-CB 4.37Å; K36-V156 HydrophobicContact CD-CG1 3.92Å; K36-V156 HydrophobicContact CD-CG2 3.92Å; L152-V156 WeakPolarHBondContact O-CG2 3.39Å; L152-V156 PolarHBondContact O-N 3.11Å; F154-V156 PolarHBondContact O-N 2.94Å; V156-G158 PolarHBondContact O-N 3.38Å |
| 157 | S | 45.5 | Very low | 50.4 | Low | 82 Ų | 82 | 91.6 Ų | 91.6 | 57% | 0.573 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -74.6 | -10.2 | 177 | -59.2 | 0 | 0 | 0 | 0 | 112.6 | A153 F154 V159 | A153-S157 WeakPolarHBondContact O-CB 3.5Å; A153-S157 PolarHBondContact O-N 2.72Å; A153-S157 VanDerWaalsContact O-N 3.08Å; A153-S157 PolarHBondContact O-OG 3.09Å; F154-S157 PolarHBondContact O-N 3.32Å; F154-S157 VanDerWaalsContact O-N 3.14Å; S157-V159 PolarHBondContact O-N 3Å |
| 158 | G | 45.6 | Very low | 51.2 | Low | 66 Ų | 66 | 90.4 Ų | 90.4 | 68% | 0.68 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 8.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | V156 K160 | V156-G158 PolarHBondContact O-N 3.38Å; G158-K160 PolarHBondContact O-N 3.42Å |
| 159 | V | 51.6 | Low | 52 | Low | 84 Ų | 84 | 91.1 Ų | 91.1 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | trans | -71.5 | 117.7 | 176.1 | -179.2 | 0 | 0 | 0 | 0 | 106.6 | F154 S157 A161 | F154-V159 WeakPolarHBondContact CE1-O 3.39Å; F154-V159 HydrophobicContact CE2-CB 4.1Å; F154-V159 HydrophobicContact CE2-CG1 4.04Å; F154-V159 HydrophobicContact CZ-CB 4.09Å; F154-V159 HydrophobicContact CZ-CG1 4Å; F154-V159 VanDerWaalsContact CZ-O 3.31Å; F154-V159 WeakPolarHBondContact CZ-O 3.35Å; S157-V159 PolarHBondContact O-N 3Å; V159-A161 PolarHBondContact O-N 3.05Å | ||
| 160 | K | 43.8 | Very low | 52.9 | Low | 193 Ų | 193 | 91.4 Ų | 91.4 | 84% | 0.839 | 53% | 0.528 | S | S | * | . | trans | -53.5 | 127.3 | 173 | -81.8 | -178.5 | 174.1 | 179.4 | 0 | 108.5 | G158 Q162 | G158-K160 PolarHBondContact O-N 3.42Å; K160-Q162 PolarHBondContact O-N 3.26Å | ||
| 161 | A | 43.3 | Very low | 53.8 | Low | 69 Ų | 69 | 94.5 Ų | 94.5 | 57% | 0.57 | 54% | 0.542 | S | S | * | . | trans | -47.7 | 108.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109 | F154 V159 S163 | F154-A161 HydrophobicContact CE1-CB 4Å; V159-A161 PolarHBondContact O-N 3.05Å; A161-S163 PolarHBondContact O-N 2.85Å | ||
| 162 | Q | 45.5 | Very low | 54.7 | Low | 159 Ų | 159 | 92.7 Ų | 92.7 | 74% | 0.743 | 54% | 0.539 | S | S | * | . | trans | -61.3 | 138.6 | 164.8 | -74.2 | -168 | -21.8 | 0 | 0 | 106.5 | K160 F164 | K160-Q162 PolarHBondContact O-N 3.26Å; Q162-F164 PolarHBondContact O-N 3.23Å | ||
| 163 | S | 44.4 | Very low | 55.9 | Low | 116 Ų | 116 | 91.4 Ų | 91.4 | 81% | 0.811 | 53% | 0.532 | S | S | * | . | trans | -41.1 | 112.7 | 173.9 | 168.9 | 0 | 0 | 0 | 0 | 109.1 | A161 P165 | A161-S163 PolarHBondContact O-N 2.85Å; S163-P165 VanDerWaalsContact O-N 3.14Å | ||
| 164 | F | 47.8 | Very low | 57.2 | Low | 164 Ų | 164 | 94.3 Ų | 94.3 | 72% | 0.719 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -50.9 | 126.3 | 178 | -78.6 | -85.6 | 0 | 0 | 0 | 108 | Q162 | Q162-F164 PolarHBondContact O-N 3.23Š|
| 165 | P | 56.8 | Low | 58.2 | Low | 64 Ų | 64 | 95.6 Ų | 95.6 | 42% | 0.416 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 147 | 174.3 | 18.5 | -26.3 | 0 | 0 | 0 | 108.8 | S163 V167 K169 I170 | S163-P165 VanDerWaalsContact O-N 3.14Å; P165-V167 PolarHBondContact O-N 3Å; P165-K169 HydrophobicContact CB-CB 4.29Å; P165-K169 HydrophobicContact CB-CD 4.08Å; P165-K169 HydrophobicContact CB-CG 4.42Å; P165-I170 HydrophobicContact CB-CG1 4.33Å; P165-I170 HydrophobicContact CG-CD1 4.12Å; P165-I170 HydrophobicContact CG-CG1 3.85Å |
| 166 | S | 64.3 | Low | 59.5 | Low | 78 Ų | 78 | 90.9 Ų | 90.9 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 142.2 | 178.4 | 64.7 | 0 | 0 | 0 | 0 | 109.8 | S168 K169 I170 | S166-S168 PolarHBondContact O-N 2.99Å; S166-K169 WeakPolarHBondContact O-CA 3.49Å; S166-K169 WeakPolarHBondContact O-CB 3.44Å; S166-K169 PolarHBondContact O-N 3.01Å; S166-K169 PolarHBondContact OG-N 3.22Å; S166-I170 PolarHBondContact O-N 2.93Å |
| 167 | V | 63.6 | Low | 61.1 | Low | 105 Ų | 105 | 87.6 Ų | 87.6 | 64% | 0.636 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -50.7 | -34.9 | 180 | 176.6 | 0 | 0 | 0 | 0 | 111 | P165 K169 I170 I171 | P165-V167 PolarHBondContact O-N 3Å; V167-K169 PolarHBondContact O-N 3.11Å; V167-I170 PolarHBondContact O-N 3.37Å; V167-I171 HydrophobicContact CG1-CD1 3.72Å; V167-I171 HydrophobicContact CG1-CG1 4.3Å; V167-I171 VanDerWaalsContact O-CG1 3.25Å; V167-I171 WeakPolarHBondContact O-CG1 3.42Å; V167-I171 PolarHBondContact O-N 3.39Å |
| 168 | S | 70.1 | Confident | 62.7 | Low | 87 Ų | 87 | 87.4 Ų | 87.4 | 61% | 0.608 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.7 | -41.5 | 173.1 | -179.9 | 0 | 0 | 0 | 0 | 114 | S166 I170 I171 A172 | S166-S168 PolarHBondContact O-N 2.99Å; S168-I170 VanDerWaalsContact C-N 3.35Å; S168-I171 PolarHBondContact O-N 3.04Å; S168-A172 WeakPolarHBondContact O-CB 3.5Å; S168-A172 PolarHBondContact O-N 3.48Å |
| 169 | K | 68.6 | Low | 64.4 | Low | 118 Ų | 118 | 86.3 Ų | 86.3 | 51% | 0.513 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.2 | -37.5 | 177.5 | -174.1 | 175.9 | 179.5 | -177.5 | 0 | 110.9 | P165 S166 V167 A172 D173 E227 | P165-K169 HydrophobicContact CB-CB 4.29Å; P165-K169 HydrophobicContact CB-CD 4.08Å; P165-K169 HydrophobicContact CB-CG 4.42Å; S166-K169 WeakPolarHBondContact O-CA 3.49Å; S166-K169 WeakPolarHBondContact O-CB 3.44Å; S166-K169 PolarHBondContact O-N 3.01Å; S166-K169 PolarHBondContact OG-N 3.22Å; V167-K169 PolarHBondContact O-N 3.11Å; K169-A172 PolarHBondContact O-N 3.41Å; K169-D173 PolarHBondContact O-N 3.14Å; K169-E227 IonicContact NZ-OE1 3.71Å |
| 170 | I | 69.3 | Low | 65.9 | Low | 49 Ų | 49 | 82.5 Ų | 82.5 | 25% | 0.251 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64 | -48.3 | 175.1 | -65 | 170.6 | 0 | 0 | 0 | 110.7 | P165 S166 V167 S168 A172 D173 M174 F222 | P165-I170 HydrophobicContact CB-CG1 4.33Å; P165-I170 HydrophobicContact CG-CD1 4.12Å; P165-I170 HydrophobicContact CG-CG1 3.85Å; S166-I170 PolarHBondContact O-N 2.93Å; V167-I170 PolarHBondContact O-N 3.37Å; S168-I170 VanDerWaalsContact C-N 3.35Å; I170-A172 VanDerWaalsContact C-N 3.31Å; I170-A172 PolarHBondContact O-N 3.46Å; I170-D173 PolarHBondContact O-N 3.5Å; I170-M174 WeakPolarHBondContact O-CB 3.11Å; I170-M174 PolarHBondContact O-N 2.89Å; I170-F222 HydrophobicContact CG2-CE2 4.22Å; I170-F222 HydrophobicContact CG2-CZ 3.76Å |
| 171 | I | 67.3 | Low | 68 | Low | 83 Ų | 83 | 73.5 Ų | 73.5 | 43% | 0.426 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 178 | -68.4 | 167.7 | 0 | 0 | 0 | 110.4 | V167 S168 M174 L175 | V167-I171 HydrophobicContact CG1-CD1 3.72Å; V167-I171 HydrophobicContact CG1-CG1 4.3Å; V167-I171 VanDerWaalsContact O-CG1 3.25Å; V167-I171 WeakPolarHBondContact O-CG1 3.42Å; V167-I171 PolarHBondContact O-N 3.39Å; S168-I171 PolarHBondContact O-N 3.04Å; I171-M174 PolarHBondContact O-N 3.33Å; I171-L175 HydrophobicContact CG2-CD1 3.83Å; I171-L175 HydrophobicContact CG2-CG 4.21Å; I171-L175 WeakPolarHBondContact O-CB 3.28Å; I171-L175 VanDerWaalsContact O-CG 3.31Å; I171-L175 WeakPolarHBondContact O-CG 3.36Å; I171-L175 PolarHBondContact O-N 2.85Å |
| 172 | A | 73.4 | Confident | 69.8 | Low | 49 Ų | 49 | 72.4 Ų | 72.4 | 41% | 0.405 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S168 K169 I170 M174 L175 F176 | S168-A172 WeakPolarHBondContact O-CB 3.5Å; S168-A172 PolarHBondContact O-N 3.48Å; K169-A172 PolarHBondContact O-N 3.41Å; I170-A172 VanDerWaalsContact C-N 3.31Å; I170-A172 PolarHBondContact O-N 3.46Å; A172-M174 VanDerWaalsContact C-N 3.33Å; A172-M174 PolarHBondContact O-N 2.93Å; A172-L175 PolarHBondContact O-N 2.99Å; A172-F176 VanDerWaalsContact O-CB 3.28Å; A172-F176 WeakPolarHBondContact O-CB 3.22Å; A172-F176 PolarHBondContact O-N 3.41Å |
| 173 | D | 73.1 | Confident | 71.7 | Confident | 34 Ų | 34 | 66.5 Ų | 66.5 | 18% | 0.182 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 174.4 | -168.2 | 71.3 | 0 | 0 | 0 | 110.4 | K169 I170 L175 F176 N177 R231 | K169-D173 PolarHBondContact O-N 3.14Å; I170-D173 PolarHBondContact O-N 3.5Å; D173-L175 PolarHBondContact O-N 3.15Å; D173-F176 PolarHBondContact O-N 2.95Å; D173-N177 WeakPolarHBondContact O-CB 3.5Å; D173-N177 PolarHBondContact O-N 2.94Å; D173-N177 PolarHBondContact O-ND2 3.36Å; D173-N177 PolarHBondContact O-OD1 3.47Å; D173-N177 PolarHBondContact OD2-ND2 2.83Å; D173-R231 IonicContact OD2-CZ 3.54Å; D173-R231 IonicContact OD2-NH1 3.15Å; D173-R231 PolarHBondContact OD2-NH1 2.8Å; D173-R231 IonicContact OD2-NH2 2.98Å; D173-R231 PolarHBondContact OD2-NH2 3.41Å |
| 174 | M | 73.8 | Confident | 73.8 | Confident | 111 Ų | 111 | 61 Ų | 61 | 55% | 0.547 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 179.7 | -169.5 | 150.9 | 74.3 | 0 | 0 | 112.9 | I170 I171 A172 N177 L178 | I170-M174 WeakPolarHBondContact O-CB 3.11Å; I170-M174 PolarHBondContact O-N 2.89Å; I171-M174 PolarHBondContact O-N 3.33Å; A172-M174 VanDerWaalsContact C-N 3.33Å; A172-M174 PolarHBondContact O-N 2.93Å; M174-N177 PolarHBondContact O-N 3.43Å; M174-L178 WeakPolarHBondContact O-CB 3.12Å; M174-L178 PolarHBondContact O-N 3.23Å |
| 175 | L | 74.9 | Confident | 75.6 | Confident | 104 Ų | 104 | 55.8 Ų | 55.8 | 55% | 0.545 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 176.3 | -72.2 | 174.7 | 0 | 0 | 0 | 112 | I171 A172 D173 N177 L178 L179 | I171-L175 HydrophobicContact CG2-CD1 3.83Å; I171-L175 HydrophobicContact CG2-CG 4.21Å; I171-L175 WeakPolarHBondContact O-CB 3.28Å; I171-L175 VanDerWaalsContact O-CG 3.31Å; I171-L175 WeakPolarHBondContact O-CG 3.36Å; I171-L175 PolarHBondContact O-N 2.85Å; A172-L175 PolarHBondContact O-N 2.99Å; D173-L175 PolarHBondContact O-N 3.15Å; L175-N177 VanDerWaalsContact C-N 3.34Å; L175-L178 PolarHBondContact O-N 3.08Å; L175-L179 PolarHBondContact O-N 3.25Å |
| 176 | F | 79.9 | Confident | 76.9 | Confident | 21 Ų | 21 | 57 Ų | 57 | 9% | 0.092 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 175.6 | -177.9 | -105 | 0 | 0 | 0 | 111.3 | A172 D173 L179 L180 M228 H229 F305 | A172-F176 VanDerWaalsContact O-CB 3.28Å; A172-F176 WeakPolarHBondContact O-CB 3.22Å; A172-F176 PolarHBondContact O-N 3.41Å; D173-F176 PolarHBondContact O-N 2.95Å; F176-L179 PolarHBondContact O-N 2.92Å; F176-L180 HydrophobicContact CD1-CD1 3.73Å; F176-L180 HydrophobicContact CD1-CG 4.41Å; F176-L180 HydrophobicContact CE1-CD1 3.18Å; F176-L180 HydrophobicContact CE1-CG 4.04Å; F176-L180 HydrophobicContact CE2-CD1 4.36Å; F176-L180 HydrophobicContact CE2-CG 4.43Å; F176-L180 HydrophobicContact CZ-CD1 3.54Å; F176-L180 HydrophobicContact CZ-CD2 4.46Å; F176-L180 HydrophobicContact CZ-CG 4.04Å; F176-L180 WeakPolarHBondContact O-CB 3.37Å; F176-L180 PolarHBondContact O-N 3.04Å; F176-M228 HydrophobicContact CD1-CB 4.04Å; F176-M228 HydrophobicContact CD1-CG 3.8Å; F176-M228 HydrophobicContact CE1-CB 4.17Å; F176-M228 HydrophobicContact CE1-CG 3.78Å; F176-H229 AromaticContact CE1-CE1 3.76Å; F176-H229 AromaticContact CZ-CE1 3.86Å; F176-H229 AromaticContact CZ-NE2 3.82Å; F176-F305 HydrophobicContact CB-CE2 4.32Å; F176-F305 HydrophobicContact CB-CZ 4.13Å; F176-F305 AromaticContact CD2-CD2 3.89Å; F176-F305 HydrophobicContact CD2-CD2 3.89Å; F176-F305 AromaticContact CD2-CE2 3.54Å; F176-F305 HydrophobicContact CD2-CE2 3.54Å; F176-F305 HydrophobicContact CD2-CZ 4.04Å; F176-F305 HydrophobicContact CE2-CD2 4.33Å; F176-F305 HydrophobicContact CE2-CE2 4.39Å; F176-F305 HydrophobicContact CG-CE2 4.41Å |
| 177 | N | 80.1 | Confident | 77.9 | Confident | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 175.5 | -64.5 | -19.5 | 0 | 0 | 0 | 111.3 | D173 M174 L175 L179 L180 Q181 M228 R231 | D173-N177 WeakPolarHBondContact O-CB 3.5Å; D173-N177 PolarHBondContact O-N 2.94Å; D173-N177 PolarHBondContact O-ND2 3.36Å; D173-N177 PolarHBondContact O-OD1 3.47Å; D173-N177 PolarHBondContact OD2-ND2 2.83Å; M174-N177 PolarHBondContact O-N 3.43Å; L175-N177 VanDerWaalsContact C-N 3.34Å; N177-L179 VanDerWaalsContact C-N 3.34Å; N177-L179 PolarHBondContact O-N 3.41Å; N177-L180 PolarHBondContact O-N 3.4Å; N177-Q181 VanDerWaalsContact O-CB 3.24Å; N177-Q181 WeakPolarHBondContact O-CB 3.36Å; N177-Q181 WeakPolarHBondContact O-CG 3.36Å; N177-Q181 PolarHBondContact O-N 3.19Å; N177-M228 HydrophobicContact CB-CE 4.12Å; N177-M228 WeakPolarHBondContact OD1-CB 3.38Å; N177-M228 VanDerWaalsContact OD1-CE 3.29Å; N177-M228 WeakPolarHBondContact OD1-CE 3.34Å; N177-M228 WeakPolarHBondContact OD1-CG 3.48Å; N177-M228 PolarHBondContact OD1-SD 2.88Å; N177-R231 PolarHBondContact ND2-NH1 2.89Å |
| 178 | L | 78.9 | Confident | 79 | Confident | 79 Ų | 79 | 49.5 Ų | 49.5 | 41% | 0.414 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 177.8 | -174.4 | 65.6 | 0 | 0 | 0 | 111.6 | M174 L175 Q181 A182 | M174-L178 WeakPolarHBondContact O-CB 3.12Å; M174-L178 PolarHBondContact O-N 3.23Å; L175-L178 PolarHBondContact O-N 3.08Å; L178-Q181 PolarHBondContact O-N 2.88Å; L178-A182 WeakPolarHBondContact O-CB 3.41Å; L178-A182 PolarHBondContact O-N 3.35Å |
| 179 | L | 81.7 | Confident | 79.6 | Confident | 42 Ų | 42 | 49.4 Ų | 49.4 | 22% | 0.22 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.7 | -50.8 | 177.4 | 179 | 67.4 | 0 | 0 | 0 | 111.9 | L175 F176 N177 Q181 A182 L183 L304 F305 | L175-L179 PolarHBondContact O-N 3.25Å; F176-L179 PolarHBondContact O-N 2.92Å; N177-L179 VanDerWaalsContact C-N 3.34Å; N177-L179 PolarHBondContact O-N 3.41Å; L179-Q181 VanDerWaalsContact C-N 3.28Å; L179-Q181 PolarHBondContact O-N 2.97Å; L179-A182 PolarHBondContact O-N 2.84Å; L179-L183 HydrophobicContact CD1-CD1 4.15Å; L179-L183 HydrophobicContact CD1-CG 4.31Å; L179-L183 HydrophobicContact CG-CD1 4.04Å; L179-L183 WeakPolarHBondContact O-CG 3.46Å; L179-L183 PolarHBondContact O-N 2.96Å; L179-L304 HydrophobicContact CD1-CD2 3.99Å; L179-L304 HydrophobicContact CD2-CD2 3.89Å; L179-F305 HydrophobicContact CD2-CD2 3.91Å; L179-F305 HydrophobicContact CD2-CE2 3.61Å |
| 180 | L | 84.2 | Confident | 80.4 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 179 | -84.5 | 177.3 | 0 | 0 | 0 | 111.2 | F176 N177 L183 F184 M228 L232 V297 V298 S301 | F176-L180 HydrophobicContact CD1-CD1 3.73Å; F176-L180 HydrophobicContact CD1-CG 4.41Å; F176-L180 HydrophobicContact CE1-CD1 3.18Å; F176-L180 HydrophobicContact CE1-CG 4.04Å; F176-L180 HydrophobicContact CE2-CD1 4.36Å; F176-L180 HydrophobicContact CE2-CG 4.43Å; F176-L180 HydrophobicContact CZ-CD1 3.54Å; F176-L180 HydrophobicContact CZ-CD2 4.46Å; F176-L180 HydrophobicContact CZ-CG 4.04Å; F176-L180 WeakPolarHBondContact O-CB 3.37Å; F176-L180 PolarHBondContact O-N 3.04Å; N177-L180 PolarHBondContact O-N 3.4Å; L180-L183 PolarHBondContact O-N 3.02Å; L180-F184 WeakPolarHBondContact O-CB 3.44Å; L180-F184 PolarHBondContact O-N 3.16Å; L180-M228 HydrophobicContact CB-CE 4.14Å; L180-M228 HydrophobicContact CD1-CE 3.69Å; L180-M228 HydrophobicContact CD1-CG 3.82Å; L180-L232 HydrophobicContact CD1-CD1 4.45Å; L180-L232 HydrophobicContact CD1-CD2 4.11Å; L180-V297 HydrophobicContact CB-CG1 4.32Å; L180-V297 HydrophobicContact CD2-CB 4.3Å; L180-V297 HydrophobicContact CD2-CG1 3.52Å; L180-V297 WeakPolarHBondContact O-CG1 3.49Å; L180-V298 HydrophobicContact CD2-CB 4.47Å; L180-V298 HydrophobicContact CD2-CG2 3.91Å; L180-S301 WeakPolarHBondContact CD2-OG 3.28Å |
| 181 | Q | 86.3 | Confident | 81.2 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.019 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 179.2 | -73.2 | 174.4 | 16.1 | 0 | 0 | 112.2 | N177 L178 L179 F184 L185 L211 L214 Y215 E218 | N177-Q181 VanDerWaalsContact O-CB 3.24Å; N177-Q181 WeakPolarHBondContact O-CB 3.36Å; N177-Q181 WeakPolarHBondContact O-CG 3.36Å; N177-Q181 PolarHBondContact O-N 3.19Å; L178-Q181 PolarHBondContact O-N 2.88Å; L179-Q181 VanDerWaalsContact C-N 3.28Å; L179-Q181 PolarHBondContact O-N 2.97Å; Q181-F184 PolarHBondContact O-N 3.49Å; Q181-L185 WeakPolarHBondContact O-CB 3.47Å; Q181-L185 PolarHBondContact O-N 3.31Å; Q181-L211 HydrophobicContact CB-CD1 4.21Å; Q181-L211 HydrophobicContact CG-CD1 4.25Å; Q181-L214 HydrophobicContact CG-CD2 4.04Å; Q181-Y215 HydrophobicContact CB-CE1 3.69Å; Q181-Y215 VanDerWaalsContact CD-CD1 3.49Å; Q181-Y215 HydrophobicContact CG-CD1 4.09Å; Q181-Y215 HydrophobicContact CG-CE1 3.49Å; Q181-Y215 VanDerWaalsContact CG-CE1 3.49Å; Q181-Y215 VanDerWaalsContact OE1-CD1 3.32Å; Q181-E218 PolarHBondContact NE2-OE2 3.3Å |
| 182 | A | 82.2 | Confident | 81.9 | Confident | 45 Ų | 45 | 47 Ų | 47 | 37% | 0.372 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L178 L179 F184 L185 I186 | L178-A182 WeakPolarHBondContact O-CB 3.41Å; L178-A182 PolarHBondContact O-N 3.35Å; L179-A182 PolarHBondContact O-N 2.84Å; A182-F184 VanDerWaalsContact C-N 3.32Å; A182-F184 PolarHBondContact O-N 3.33Å; A182-L185 WeakPolarHBondContact O-CB 3.19Å; A182-L185 PolarHBondContact O-N 2.83Å; A182-I186 WeakPolarHBondContact O-CG1 3.45Å; A182-I186 PolarHBondContact O-N 3.49Å |
| 183 | L | 85.6 | Confident | 82.5 | Confident | 36 Ų | 36 | 51.5 Ų | 51.5 | 19% | 0.188 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64 | -36.9 | 176.6 | -73.6 | 173.9 | 0 | 0 | 0 | 112.1 | L179 L180 I186 Q187 V297 I300 S301 | L179-L183 HydrophobicContact CD1-CD1 4.15Å; L179-L183 HydrophobicContact CD1-CG 4.31Å; L179-L183 HydrophobicContact CG-CD1 4.04Å; L179-L183 WeakPolarHBondContact O-CG 3.46Å; L179-L183 PolarHBondContact O-N 2.96Å; L180-L183 PolarHBondContact O-N 3.02Å; L183-I186 PolarHBondContact O-N 3.02Å; L183-Q187 WeakPolarHBondContact O-CB 3.19Å; L183-Q187 PolarHBondContact O-N 3.27Å; L183-V297 HydrophobicContact CB-CB 4.33Å; L183-V297 HydrophobicContact CB-CG1 3.34Å; L183-V297 HydrophobicContact CB-CG2 4.35Å; L183-V297 HydrophobicContact CD1-CG1 4.19Å; L183-V297 HydrophobicContact CG-CG1 4.42Å; L183-I300 HydrophobicContact CD1-CB 4.21Å; L183-I300 HydrophobicContact CD1-CG2 3.75Å; L183-I300 HydrophobicContact CD2-CG2 4.15Å; L183-S301 VanDerWaalsContact CD1-OG 3.26Å; L183-S301 WeakPolarHBondContact CD1-OG 3.47Å |
| 184 | F | 87.8 | Confident | 83.1 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.7 | -34.7 | 176.4 | -167.3 | -108 | 0 | 0 | 0 | 112.6 | L180 Q181 A182 Q187 G188 H207 L210 L211 L293 F294 V297 | L180-F184 WeakPolarHBondContact O-CB 3.44Å; L180-F184 PolarHBondContact O-N 3.16Å; Q181-F184 PolarHBondContact O-N 3.49Å; A182-F184 VanDerWaalsContact C-N 3.32Å; A182-F184 PolarHBondContact O-N 3.33Å; F184-Q187 PolarHBondContact O-N 2.91Å; F184-G188 PolarHBondContact O-N 2.77Å; F184-H207 HydrophobicContact CE1-CB 4.27Å; F184-H207 WeakPolarHBondContact CE1-O 3.24Å; F184-H207 AromaticContact CE2-CD2 3.64Å; F184-H207 HydrophobicContact CZ-CB 4.35Å; F184-H207 AromaticContact CZ-CD2 3.54Å; F184-L210 HydrophobicContact CE1-CB 4.41Å; F184-L211 HydrophobicContact CD1-CB 3.95Å; F184-L211 HydrophobicContact CD1-CD1 3.98Å; F184-L211 HydrophobicContact CD1-CG 4.37Å; F184-L211 HydrophobicContact CE1-CB 4.11Å; F184-L293 HydrophobicContact CE2-CB 4.05Å; F184-L293 HydrophobicContact CZ-CB 4.34Å; F184-F294 HydrophobicContact CD1-CD1 4.41Å; F184-F294 AromaticContact CD1-CE1 3.73Å; F184-F294 HydrophobicContact CD1-CE1 3.73Å; F184-F294 HydrophobicContact CD1-CZ 4.45Å; F184-F294 AromaticContact CD2-CD1 3.61Å; F184-F294 HydrophobicContact CD2-CD1 3.61Å; F184-F294 AromaticContact CD2-CE1 3.73Å; F184-F294 HydrophobicContact CD2-CE1 3.73Å; F184-F294 HydrophobicContact CD2-CG 4.47Å; F184-F294 HydrophobicContact CE1-CD1 4.48Å; F184-F294 AromaticContact CE1-CE1 3.65Å; F184-F294 HydrophobicContact CE1-CE1 3.65Å; F184-F294 AromaticContact CE1-CZ 3.95Å; F184-F294 HydrophobicContact CE1-CZ 3.95Å; F184-F294 AromaticContact CE2-CD1 3.73Å; F184-F294 HydrophobicContact CE2-CD1 3.73Å; F184-F294 AromaticContact CE2-CE1 3.7Å; F184-F294 HydrophobicContact CE2-CE1 3.7Å; F184-F294 HydrophobicContact CE2-CG 4.29Å; F184-F294 HydrophobicContact CE2-CZ 4.23Å; F184-F294 AromaticContact CG-CD1 3.97Å; F184-F294 HydrophobicContact CG-CD1 3.97Å; F184-F294 AromaticContact CG-CE1 3.74Å; F184-F294 HydrophobicContact CG-CE1 3.74Å; F184-F294 HydrophobicContact CZ-CD1 4.16Å; F184-F294 AromaticContact CZ-CE1 3.64Å; F184-F294 HydrophobicContact CZ-CE1 3.64Å; F184-F294 HydrophobicContact CZ-CE2 4.48Å; F184-F294 AromaticContact CZ-CZ 3.83Å; F184-F294 HydrophobicContact CZ-CZ 3.83Å; F184-V297 HydrophobicContact CB-CG1 4.37Å; F184-V297 HydrophobicContact CB-CG2 4.09Å; F184-V297 HydrophobicContact CD2-CG2 3.93Å |
| 185 | L | 86.1 | Confident | 83.4 | Confident | 54 Ų | 54 | 54.9 Ų | 54.9 | 28% | 0.283 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.9 | -47.5 | 171.1 | -179.5 | 65.6 | 0 | 0 | 0 | 111.2 | Q181 A182 Q187 G188 M189 M208 L211 | Q181-L185 WeakPolarHBondContact O-CB 3.47Å; Q181-L185 PolarHBondContact O-N 3.31Å; A182-L185 WeakPolarHBondContact O-CB 3.19Å; A182-L185 PolarHBondContact O-N 2.83Å; L185-Q187 VanDerWaalsContact C-N 3.32Å; L185-Q187 PolarHBondContact O-N 3.04Å; L185-G188 PolarHBondContact O-N 2.86Å; L185-G188 VanDerWaalsContact O-N 3.13Å; L185-M189 HydrophobicContact CD1-CE 4.1Å; L185-M189 HydrophobicContact CD2-CE 4.1Å; L185-M189 HydrophobicContact CG-CE 3.89Å; L185-M189 WeakPolarHBondContact O-CG 3.36Å; L185-M189 PolarHBondContact O-N 3.25Å; L185-M208 HydrophobicContact CD1-CE 3.57Å; L185-M208 HydrophobicContact CD1-SD 3.86Å; L185-L211 HydrophobicContact CB-CD2 3.91Å; L185-L211 HydrophobicContact CD1-CD2 3.82Å; L185-L211 HydrophobicContact CG-CD2 4.45Å |
| 186 | I | 83.1 | Confident | 84.1 | Confident | 89 Ų | 89 | 54.2 Ų | 54.2 | 46% | 0.456 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 176.4 | -67.6 | 165.1 | 0 | 0 | 0 | 110.5 | A182 L183 G188 M189 I190 | A182-I186 WeakPolarHBondContact O-CG1 3.45Å; A182-I186 PolarHBondContact O-N 3.49Å; L183-I186 PolarHBondContact O-N 3.02Å; I186-G188 VanDerWaalsContact C-N 3.31Å; I186-G188 PolarHBondContact O-N 3.37Å; I186-M189 PolarHBondContact O-N 3.49Å; I186-I190 HydrophobicContact CG2-CD1 3.83Å; I186-I190 HydrophobicContact CG2-CG1 4.39Å; I186-I190 WeakPolarHBondContact O-CG1 3.11Å; I186-I190 PolarHBondContact O-N 2.92Å |
| 187 | Q | 87 | Confident | 84.2 | Confident | 25 Ų | 25 | 59 Ų | 59 | 12% | 0.117 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.9 | -46.5 | 174 | 177.8 | -179.9 | -42.3 | 0 | 0 | 111.4 | L183 F184 L185 M189 I190 V191 H207 L293 | L183-Q187 WeakPolarHBondContact O-CB 3.19Å; L183-Q187 PolarHBondContact O-N 3.27Å; F184-Q187 PolarHBondContact O-N 2.91Å; L185-Q187 VanDerWaalsContact C-N 3.32Å; L185-Q187 PolarHBondContact O-N 3.04Å; Q187-M189 VanDerWaalsContact C-N 3.34Å; Q187-M189 PolarHBondContact O-N 2.9Å; Q187-I190 PolarHBondContact O-N 3.24Å; Q187-V191 VanDerWaalsContact O-CG2 3.26Å; Q187-V191 WeakPolarHBondContact O-CG2 3.29Å; Q187-V191 PolarHBondContact O-N 3.32Å; Q187-H207 PolarHBondContact NE2-NE2 3.25Å; Q187-L293 PolarHBondContact NE2-O 2.88Å |
| 188 | G | 85.1 | Confident | 84.5 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F184 L185 I186 S192 | F184-G188 PolarHBondContact O-N 2.77Å; L185-G188 PolarHBondContact O-N 2.86Å; L185-G188 VanDerWaalsContact O-N 3.13Å; I186-G188 VanDerWaalsContact C-N 3.31Å; I186-G188 PolarHBondContact O-N 3.37Å; G188-S192 PolarHBondContact O-N 3.03Å; G188-S192 VanDerWaalsContact O-N 3.16Å |
| 189 | M | 83.4 | Confident | 84.9 | Confident | 85 Ų | 85 | 62 Ų | 62 | 42% | 0.419 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 174.4 | -69.4 | 176.9 | 176.7 | 0 | 0 | 111.7 | L185 I186 Q187 V191 S192 | L185-M189 HydrophobicContact CD1-CE 4.1Å; L185-M189 HydrophobicContact CD2-CE 4.1Å; L185-M189 HydrophobicContact CG-CE 3.89Å; L185-M189 WeakPolarHBondContact O-CG 3.36Å; L185-M189 PolarHBondContact O-N 3.25Å; I186-M189 PolarHBondContact O-N 3.49Å; Q187-M189 VanDerWaalsContact C-N 3.34Å; Q187-M189 PolarHBondContact O-N 2.9Å; M189-V191 VanDerWaalsContact C-N 3.31Å; M189-V191 PolarHBondContact O-N 3.39Å; M189-S192 WeakPolarHBondContact O-CB 3.32Å; M189-S192 PolarHBondContact O-N 3.07Å; M189-S192 VanDerWaalsContact O-N 3.13Å; M189-S192 PolarHBondContact O-OG 3.42Å |
| 190 | I | 85.5 | Confident | 85.2 | Confident | 108 Ų | 108 | 60.1 Ų | 60.1 | 55% | 0.554 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.3 | -42.8 | 177.5 | -67.6 | 167.8 | 0 | 0 | 0 | 110.8 | I186 Q187 S192 L193 | I186-I190 HydrophobicContact CG2-CD1 3.83Å; I186-I190 HydrophobicContact CG2-CG1 4.39Å; I186-I190 WeakPolarHBondContact O-CG1 3.11Å; I186-I190 PolarHBondContact O-N 2.92Å; Q187-I190 PolarHBondContact O-N 3.24Å; I190-S192 PolarHBondContact O-N 3.17Å; I190-L193 WeakPolarHBondContact O-CB 3.46Å; I190-L193 PolarHBondContact O-N 2.76Å |
| 191 | V | 86 | Confident | 85.3 | Confident | 39 Ų | 39 | 66.5 Ų | 66.5 | 24% | 0.236 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.7 | -25.6 | 179 | 173.8 | 0 | 0 | 0 | 0 | 112.2 | Q187 M189 L193 F194 V203 | Q187-V191 VanDerWaalsContact O-CG2 3.26Å; Q187-V191 WeakPolarHBondContact O-CG2 3.29Å; Q187-V191 PolarHBondContact O-N 3.32Å; M189-V191 VanDerWaalsContact C-N 3.31Å; M189-V191 PolarHBondContact O-N 3.39Å; V191-L193 PolarHBondContact O-N 2.58Å; V191-F194 WeakPolarHBondContact O-CB 3.42Å; V191-F194 PolarHBondContact O-N 3.18Å; V191-V203 HydrophobicContact CG1-CB 3.71Å; V191-V203 HydrophobicContact CG1-CG1 3.4Å; V191-V203 VanDerWaalsContact CG1-CG1 3.4Å |
| 192 | S | 82.7 | Confident | 85.5 | Confident | 53 Ų | 53 | 73 Ų | 73 | 37% | 0.371 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.6 | -17.5 | 173.5 | 76.1 | 0 | 0 | 0 | 0 | 113.9 | G188 M189 I190 F194 | G188-S192 PolarHBondContact O-N 3.03Å; G188-S192 VanDerWaalsContact O-N 3.16Å; M189-S192 WeakPolarHBondContact O-CB 3.32Å; M189-S192 PolarHBondContact O-N 3.07Å; M189-S192 VanDerWaalsContact O-N 3.13Å; M189-S192 PolarHBondContact O-OG 3.42Å; I190-S192 PolarHBondContact O-N 3.17Å; S192-F194 PolarHBondContact O-N 3Å |
| 193 | L | 84.6 | Confident | 85.9 | Confident | 143 Ų | 143 | 73.1 Ų | 73.1 | 75% | 0.749 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 7.6 | 175.7 | -56.3 | 174.4 | 0 | 0 | 0 | 113 | I190 V191 | I190-L193 WeakPolarHBondContact O-CB 3.46Å; I190-L193 PolarHBondContact O-N 2.76Å; V191-L193 PolarHBondContact O-N 2.58Å |
| 194 | F | 85.5 | Confident | 86.1 | Confident | 101 Ų | 101 | 72.4 Ų | 72.4 | 44% | 0.443 | 39% | 0.392 | S | S | . | . | trans | -64.2 | 136.5 | -178.2 | -158.3 | -98.3 | 0 | 0 | 0 | 110.9 | V191 S192 I196 I199 | V191-F194 WeakPolarHBondContact O-CB 3.42Å; V191-F194 PolarHBondContact O-N 3.18Å; S192-F194 PolarHBondContact O-N 3Å; F194-I196 HydrophobicContact CD1-CB 4.13Å; F194-I196 HydrophobicContact CD1-CG1 4.48Å; F194-I196 HydrophobicContact CE1-CB 4.33Å; F194-I196 HydrophobicContact CE1-CD1 4.24Å; F194-I196 HydrophobicContact CE1-CG1 4.28Å; F194-I196 PolarHBondContact O-N 3.35Å; F194-I199 HydrophobicContact CD1-CB 4.49Å; F194-I199 HydrophobicContact CD1-CG2 4.36Å | ||
| 195 | P | 81.4 | Confident | 86.3 | Confident | 114 Ų | 114 | 74.4 Ų | 74.4 | 74% | 0.74 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -66.1 | -12.5 | -169.9 | 23.9 | -34.7 | 0 | 0 | 0 | 114.8 | ||
| 196 | I | 88.1 | Confident | 86.7 | Confident | 91 Ų | 91 | 73.2 Ų | 73.2 | 47% | 0.467 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -102.4 | 99.5 | 173.5 | -55.9 | 174.5 | 0 | 0 | 0 | 107.5 | F194 A198 I199 G200 | F194-I196 HydrophobicContact CD1-CB 4.13Å; F194-I196 HydrophobicContact CD1-CG1 4.48Å; F194-I196 HydrophobicContact CE1-CB 4.33Å; F194-I196 HydrophobicContact CE1-CD1 4.24Å; F194-I196 HydrophobicContact CE1-CG1 4.28Å; F194-I196 PolarHBondContact O-N 3.35Å; I196-A198 VanDerWaalsContact C-N 3.29Å; I196-A198 PolarHBondContact O-N 3.47Å; I196-I199 HydrophobicContact CB-CB 4.27Å; I196-I199 HydrophobicContact CB-CD1 4.17Å; I196-I199 HydrophobicContact CB-CG1 4.32Å; I196-I199 HydrophobicContact CD1-CD1 3.95Å; I196-I199 HydrophobicContact CG2-CB 4.18Å; I196-I199 HydrophobicContact CG2-CD1 3.83Å; I196-I199 HydrophobicContact CG2-CG1 3.81Å; I196-I199 PolarHBondContact O-N 3.48Å; I196-G200 PolarHBondContact O-N 3.47Å |
| 197 | D | 83.3 | Confident | 87.1 | Confident | 122 Ų | 122 | 69.2 Ų | 69.2 | 65% | 0.652 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -50.9 | -45.7 | -172 | -64.8 | -31.5 | 0 | 0 | 0 | 113.1 | I199 G200 Q201 | D197-I199 PolarHBondContact O-N 3.42Å; D197-G200 PolarHBondContact O-N 3.38Å; D197-Q201 WeakPolarHBondContact O-CB 3.07Å; D197-Q201 VanDerWaalsContact O-CG 3.25Å; D197-Q201 WeakPolarHBondContact O-CG 3.33Å; D197-Q201 PolarHBondContact O-N 3.07Å |
| 198 | A | 86.9 | Confident | 87.3 | Confident | 63 Ų | 63 | 69.7 Ų | 69.7 | 52% | 0.521 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I196 M202 | I196-A198 VanDerWaalsContact C-N 3.29Å; I196-A198 PolarHBondContact O-N 3.47Å; A198-M202 VanDerWaalsContact O-CG 3.29Å; A198-M202 WeakPolarHBondContact O-CG 3.44Å; A198-M202 PolarHBondContact O-N 2.87Å; A198-M202 VanDerWaalsContact O-N 3.08Å |
| 199 | I | 87.4 | Confident | 87.7 | Confident | 82 Ų | 82 | 69.6 Ų | 69.6 | 42% | 0.421 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -71.4 | -44.3 | 179.1 | -62.8 | 177.6 | 0 | 0 | 0 | 109.6 | F194 I196 D197 Q201 M202 V203 | F194-I199 HydrophobicContact CD1-CB 4.49Å; F194-I199 HydrophobicContact CD1-CG2 4.36Å; I196-I199 HydrophobicContact CB-CB 4.27Å; I196-I199 HydrophobicContact CB-CD1 4.17Å; I196-I199 HydrophobicContact CB-CG1 4.32Å; I196-I199 HydrophobicContact CD1-CD1 3.95Å; I196-I199 HydrophobicContact CG2-CB 4.18Å; I196-I199 HydrophobicContact CG2-CD1 3.83Å; I196-I199 HydrophobicContact CG2-CG1 3.81Å; I196-I199 PolarHBondContact O-N 3.48Å; D197-I199 PolarHBondContact O-N 3.42Å; I199-Q201 VanDerWaalsContact C-N 3.32Å; I199-Q201 PolarHBondContact O-N 2.95Å; I199-M202 PolarHBondContact O-N 3.32Å; I199-V203 HydrophobicContact CG2-CG2 4.07Å; I199-V203 WeakPolarHBondContact O-CB 3.4Å; I199-V203 VanDerWaalsContact O-CG2 3.26Å; I199-V203 WeakPolarHBondContact O-CG2 3.33Å; I199-V203 PolarHBondContact O-N 3.31Å |
| 200 | G | 86.1 | Confident | 88.2 | Confident | 2 Ų | 2 | 65.7 Ų | 65.7 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -56.2 | -45.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I196 D197 S204 | I196-G200 PolarHBondContact O-N 3.47Å; D197-G200 PolarHBondContact O-N 3.38Å; G200-S204 WeakPolarHBondContact O-CB 3.34Å; G200-S204 PolarHBondContact O-N 3.33Å |
| 201 | Q | 86.9 | Confident | 88.5 | Confident | 139 Ų | 139 | 60.6 Ų | 60.6 | 65% | 0.65 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.9 | -47.5 | 176.6 | -72.7 | 174.8 | 13.2 | 0 | 0 | 112.5 | D197 I199 V203 S204 L205 | D197-Q201 WeakPolarHBondContact O-CB 3.07Å; D197-Q201 VanDerWaalsContact O-CG 3.25Å; D197-Q201 WeakPolarHBondContact O-CG 3.33Å; D197-Q201 PolarHBondContact O-N 3.07Å; I199-Q201 VanDerWaalsContact C-N 3.32Å; I199-Q201 PolarHBondContact O-N 2.95Å; Q201-V203 PolarHBondContact O-N 2.9Å; Q201-S204 PolarHBondContact O-N 2.84Å; Q201-L205 VanDerWaalsContact O-CB 3.28Å; Q201-L205 WeakPolarHBondContact O-CB 3.47Å; Q201-L205 PolarHBondContact O-N 2.91Å |
| 202 | M | 90.6 | Very high | 88.7 | Confident | 141 Ų | 141 | 60 Ų | 60 | 70% | 0.695 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.3 | -44.3 | 179.8 | -74.7 | -175.8 | 71.4 | 0 | 0 | 112.2 | A198 I199 L205 L206 | A198-M202 VanDerWaalsContact O-CG 3.29Å; A198-M202 WeakPolarHBondContact O-CG 3.44Å; A198-M202 PolarHBondContact O-N 2.87Å; A198-M202 VanDerWaalsContact O-N 3.08Å; I199-M202 PolarHBondContact O-N 3.32Å; M202-L205 PolarHBondContact O-N 3.05Å; M202-L206 PolarHBondContact O-N 3.44Å |
| 203 | V | 90.4 | Very high | 89.1 | Confident | 47 Ų | 47 | 57.5 Ų | 57.5 | 29% | 0.285 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -73.6 | -35.2 | -179.1 | -173.9 | 0 | 0 | 0 | 0 | 110.9 | V191 I199 Q201 L206 H207 | V191-V203 HydrophobicContact CG1-CB 3.71Å; V191-V203 HydrophobicContact CG1-CG1 3.4Å; V191-V203 VanDerWaalsContact CG1-CG1 3.4Å; I199-V203 HydrophobicContact CG2-CG2 4.07Å; I199-V203 WeakPolarHBondContact O-CB 3.4Å; I199-V203 VanDerWaalsContact O-CG2 3.26Å; I199-V203 WeakPolarHBondContact O-CG2 3.33Å; I199-V203 PolarHBondContact O-N 3.31Å; Q201-V203 PolarHBondContact O-N 2.9Å; V203-L206 WeakPolarHBondContact O-CB 3.23Å; V203-L206 PolarHBondContact O-N 3.26Å; V203-H207 PolarHBondContact O-N 3.09Å; V203-H207 PolarHBondContact O-ND1 3.13Å |
| 204 | S | 89.1 | Confident | 89.3 | Confident | 21 Ų | 21 | 50.8 Ų | 50.8 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 171.6 | -176 | 0 | 0 | 0 | 0 | 111.4 | G200 Q201 L206 H207 M208 | G200-S204 WeakPolarHBondContact O-CB 3.34Å; G200-S204 PolarHBondContact O-N 3.33Å; Q201-S204 PolarHBondContact O-N 2.84Å; S204-L206 VanDerWaalsContact C-N 3.31Å; S204-L206 PolarHBondContact O-N 2.91Å; S204-H207 PolarHBondContact O-N 3.46Å; S204-H207 VanDerWaalsContact O-N 3.14Å; S204-M208 WeakPolarHBondContact O-CG 3.43Å; S204-M208 PolarHBondContact O-N 3.48Å |
| 205 | L | 92.3 | Very high | 89.3 | Confident | 42 Ų | 42 | 46.5 Ų | 46.5 | 22% | 0.22 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 176 | -171.6 | 67.6 | 0 | 0 | 0 | 111.8 | Q201 M202 S209 L247 A250 L251 | Q201-L205 VanDerWaalsContact O-CB 3.28Å; Q201-L205 WeakPolarHBondContact O-CB 3.47Å; Q201-L205 PolarHBondContact O-N 2.91Å; M202-L205 PolarHBondContact O-N 3.05Å; L205-S209 VanDerWaalsContact O-CB 3.26Å; L205-S209 WeakPolarHBondContact O-CB 3.17Å; L205-S209 PolarHBondContact O-N 2.92Å; L205-S209 PolarHBondContact O-OG 3.35Å; L205-L247 HydrophobicContact CD1-CD1 4.18Å; L205-L247 HydrophobicContact CD2-CD1 3.65Å; L205-L247 HydrophobicContact CG-CD1 3.8Å; L205-A250 HydrophobicContact CD1-CB 3.89Å; L205-L251 HydrophobicContact CD1-CD2 3.87Å; L205-L251 HydrophobicContact CD1-CG 4.18Å; L205-L251 HydrophobicContact CD2-CD2 3.87Å |
| 206 | L | 94.3 | Very high | 89.4 | Confident | 30 Ų | 30 | 41.1 Ų | 41.1 | 16% | 0.157 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.7 | -47.2 | 172.5 | 178 | 63 | 0 | 0 | 0 | 111.7 | M202 V203 S204 S209 L210 W239 F243 L291 L293 | M202-L206 PolarHBondContact O-N 3.44Å; V203-L206 WeakPolarHBondContact O-CB 3.23Å; V203-L206 PolarHBondContact O-N 3.26Å; S204-L206 VanDerWaalsContact C-N 3.31Å; S204-L206 PolarHBondContact O-N 2.91Å; L206-S209 PolarHBondContact O-N 3.38Å; L206-L210 HydrophobicContact CD1-CD1 3.99Å; L206-L210 HydrophobicContact CD1-CG 4.24Å; L206-L210 HydrophobicContact CG-CD1 4.21Å; L206-L210 VanDerWaalsContact O-CG 3.29Å; L206-L210 WeakPolarHBondContact O-CG 3.07Å; L206-L210 PolarHBondContact O-N 3.07Å; L206-W239 HydrophobicContact CD1-CE3 4.08Å; L206-W239 HydrophobicContact CD1-CZ3 3.98Å; L206-F243 HydrophobicContact CB-CD2 4.48Å; L206-F243 HydrophobicContact CB-CE2 4.31Å; L206-F243 HydrophobicContact CD1-CB 4.17Å; L206-F243 HydrophobicContact CD1-CD2 3.41Å; L206-F243 VanDerWaalsContact CD1-CD2 3.41Å; L206-F243 HydrophobicContact CD1-CE2 3.95Å; L206-F243 HydrophobicContact CD1-CG 3.86Å; L206-L291 HydrophobicContact CD1-CD2 4.45Å; L206-L291 HydrophobicContact CD2-CD2 4.17Å; L206-L293 HydrophobicContact CD2-CD1 4.06Å; L206-L293 HydrophobicContact CG-CD1 4.22Å |
| 207 | H | 92.1 | Very high | 89.3 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.019 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61 | -49.5 | 176.9 | -77.2 | 75.1 | 0 | 0 | 0 | 111.5 | F184 Q187 V203 S204 S209 L210 L211 | F184-H207 HydrophobicContact CE1-CB 4.27Å; F184-H207 WeakPolarHBondContact CE1-O 3.24Å; F184-H207 AromaticContact CE2-CD2 3.64Å; F184-H207 HydrophobicContact CZ-CB 4.35Å; F184-H207 AromaticContact CZ-CD2 3.54Å; Q187-H207 PolarHBondContact NE2-NE2 3.25Å; V203-H207 PolarHBondContact O-N 3.09Å; V203-H207 PolarHBondContact O-ND1 3.13Å; S204-H207 PolarHBondContact O-N 3.46Å; S204-H207 VanDerWaalsContact O-N 3.14Å; H207-S209 PolarHBondContact O-N 3.39Å; H207-L210 PolarHBondContact O-N 2.97Å; H207-L211 VanDerWaalsContact O-CB 3.32Å; H207-L211 WeakPolarHBondContact O-CB 3.38Å; H207-L211 PolarHBondContact O-N 3.06Å |
| 208 | M | 90.8 | Very high | 89.3 | Confident | 35 Ų | 35 | 32.1 Ų | 32.1 | 17% | 0.172 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.6 | -41.9 | -179.3 | -69.3 | -61.4 | 175.5 | 0 | 0 | 112 | L185 S204 L210 L211 Y212 A250 | L185-M208 HydrophobicContact CD1-CE 3.57Å; L185-M208 HydrophobicContact CD1-SD 3.86Å; S204-M208 WeakPolarHBondContact O-CG 3.43Å; S204-M208 PolarHBondContact O-N 3.48Å; M208-L210 PolarHBondContact O-N 2.97Å; M208-L211 PolarHBondContact O-N 3.25Å; M208-Y212 WeakPolarHBondContact O-CB 3.47Å; M208-Y212 VanDerWaalsContact O-CG 3.27Å; M208-Y212 PolarHBondContact O-N 3.48Å; M208-A250 HydrophobicContact CB-CB 4.08Å |
| 209 | S | 94.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63 | -44.4 | 177.8 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | L205 L206 H207 S213 L247 A250 | L205-S209 VanDerWaalsContact O-CB 3.26Å; L205-S209 WeakPolarHBondContact O-CB 3.17Å; L205-S209 PolarHBondContact O-N 2.92Å; L205-S209 PolarHBondContact O-OG 3.35Å; L206-S209 PolarHBondContact O-N 3.38Å; H207-S209 PolarHBondContact O-N 3.39Å; S209-S213 WeakPolarHBondContact O-CB 3.35Å; S209-S213 PolarHBondContact O-N 2.93Å; S209-S213 PolarHBondContact O-OG 3.44Å; S209-L247 WeakPolarHBondContact OG-CA 3.36Å; S209-A250 WeakPolarHBondContact OG-CB 3.38Å |
| 210 | L | 94.2 | Very high | 88 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.6 | -37.7 | 177.5 | -67.3 | 175.6 | 0 | 0 | 0 | 112 | F184 L206 H207 M208 L214 I235 W239 F243 L291 L293 F294 | F184-L210 HydrophobicContact CE1-CB 4.41Å; L206-L210 HydrophobicContact CD1-CD1 3.99Å; L206-L210 HydrophobicContact CD1-CG 4.24Å; L206-L210 HydrophobicContact CG-CD1 4.21Å; L206-L210 VanDerWaalsContact O-CG 3.29Å; L206-L210 WeakPolarHBondContact O-CG 3.07Å; L206-L210 PolarHBondContact O-N 3.07Å; H207-L210 PolarHBondContact O-N 2.97Å; M208-L210 PolarHBondContact O-N 2.97Å; L210-L214 WeakPolarHBondContact O-CB 3.4Å; L210-L214 PolarHBondContact O-N 2.99Å; L210-I235 HydrophobicContact CD2-CG2 3.94Å; L210-W239 HydrophobicContact CD2-CB 4.38Å; L210-F243 HydrophobicContact CD2-CB 4.27Å; L210-L291 HydrophobicContact CD1-CD2 4.1Å; L210-L293 HydrophobicContact CD1-CD1 3.73Å; L210-F294 HydrophobicContact CB-CZ 4.35Å |
| 211 | L | 90.8 | Very high | 87.7 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.4 | -45.3 | 176.5 | -176.3 | 57.8 | 0 | 0 | 0 | 111.7 | Q181 F184 L185 H207 M208 L214 Y215 | Q181-L211 HydrophobicContact CB-CD1 4.21Å; Q181-L211 HydrophobicContact CG-CD1 4.25Å; F184-L211 HydrophobicContact CD1-CB 3.95Å; F184-L211 HydrophobicContact CD1-CD1 3.98Å; F184-L211 HydrophobicContact CD1-CG 4.37Å; F184-L211 HydrophobicContact CE1-CB 4.11Å; L185-L211 HydrophobicContact CB-CD2 3.91Å; L185-L211 HydrophobicContact CD1-CD2 3.82Å; L185-L211 HydrophobicContact CG-CD2 4.45Å; H207-L211 VanDerWaalsContact O-CB 3.32Å; H207-L211 WeakPolarHBondContact O-CB 3.38Å; H207-L211 PolarHBondContact O-N 3.06Å; M208-L211 PolarHBondContact O-N 3.25Å; L211-L214 WeakPolarHBondContact O-CB 3.49Å; L211-L214 PolarHBondContact O-N 3.33Å; L211-Y215 HydrophobicContact CD1-CD1 4.07Å; L211-Y215 HydrophobicContact CD1-CE1 3.26Å; L211-Y215 HydrophobicContact CD1-CE2 4.44Å; L211-Y215 HydrophobicContact CD2-CE2 4.47Å; L211-Y215 HydrophobicContact CG-CD1 4.47Å; L211-Y215 HydrophobicContact CG-CE1 3.76Å; L211-Y215 HydrophobicContact CG-CE2 4.05Å; L211-Y215 VanDerWaalsContact O-CD1 3.29Å; L211-Y215 WeakPolarHBondContact O-CD1 3.37Å; L211-Y215 VanDerWaalsContact O-CG 3.32Å; L211-Y215 PolarHBondContact O-N 3.02Å |
| 212 | Y | 89.8 | Confident | 86.9 | Confident | 27 Ų | 27 | 26.1 Ų | 26.1 | 11% | 0.106 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.3 | -38.6 | 178.2 | -68 | -10.3 | 0 | 0 | 0 | 112.4 | M208 Y215 C216 M249 A250 T253 F266 | M208-Y212 WeakPolarHBondContact O-CB 3.47Å; M208-Y212 VanDerWaalsContact O-CG 3.27Å; M208-Y212 PolarHBondContact O-N 3.48Å; Y212-Y215 HydrophobicContact CD1-CD2 4.11Å; Y212-Y215 HydrophobicContact CD1-CE2 4.22Å; Y212-Y215 HydrophobicContact CE1-CE2 4.49Å; Y212-Y215 PolarHBondContact O-N 3.26Å; Y212-C216 PolarHBondContact O-N 3.31Å; Y212-C216 PolarHBondContact O-SG 3.25Å; Y212-M249 HydrophobicContact CD2-CB 3.93Å; Y212-M249 HydrophobicContact CD2-CG 3.64Å; Y212-M249 HydrophobicContact CD2-SD 3.61Å; Y212-M249 HydrophobicContact CE2-CG 3.92Å; Y212-M249 HydrophobicContact CE2-SD 4.12Å; Y212-M249 HydrophobicContact CG-CG 4.45Å; Y212-M249 HydrophobicContact CG-SD 3.83Å; Y212-A250 HydrophobicContact CD2-CB 4.09Å; Y212-A250 HydrophobicContact CE2-CB 4.24Å; Y212-T253 HydrophobicContact CE2-CG2 4.05Å; Y212-T253 WeakPolarHBondContact CE2-OG1 3.14Å; Y212-T253 PolarHBondContact OH-OG1 2.77Å; Y212-F266 HydrophobicContact CD1-CD2 4.13Å; Y212-F266 AromaticContact CD1-CE2 3.73Å; Y212-F266 HydrophobicContact CD1-CE2 3.73Å; Y212-F266 AromaticContact CE1-CD2 3.69Å; Y212-F266 HydrophobicContact CE1-CD2 3.69Å; Y212-F266 AromaticContact CE1-CE2 3.67Å; Y212-F266 HydrophobicContact CE1-CE2 3.67Å; Y212-F266 HydrophobicContact CE2-CD2 4.28Å; Y212-F266 HydrophobicContact CG-CE2 4.35Å; Y212-F266 AromaticContact CZ-CD2 3.77Å |
| 213 | S | 91.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60 | -46 | 170.4 | -74.3 | 0 | 0 | 0 | 0 | 112 | S209 Y215 C216 F217 Y242 F245 G246 | S209-S213 WeakPolarHBondContact O-CB 3.35Å; S209-S213 PolarHBondContact O-N 2.93Å; S209-S213 PolarHBondContact O-OG 3.44Å; S213-Y215 VanDerWaalsContact C-N 3.28Å; S213-Y215 PolarHBondContact O-N 3.34Å; S213-C216 PolarHBondContact O-N 3.16Å; S213-F217 WeakPolarHBondContact O-CB 3.35Å; S213-F217 WeakPolarHBondContact O-CD2 3.5Å; S213-F217 PolarHBondContact O-N 3.46Å; S213-Y242 WeakPolarHBondContact CB-O 3.39Å; S213-Y242 PolarHBondContact OG-O 3.34Å; S213-F245 WeakPolarHBondContact OG-CD1 3.27Å; S213-G246 WeakPolarHBondContact OG-CA 3.39Å; S213-G246 PolarHBondContact OG-N 3.41Å; S213-G246 VanDerWaalsContact OG-N 3.07Å |
| 214 | L | 89.5 | Confident | 84.8 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.1 | -45 | 174.6 | 177.7 | 61.8 | 0 | 0 | 0 | 111 | Q181 L210 L211 C216 E218 W221 M228 L232 I235 F294 | Q181-L214 HydrophobicContact CG-CD2 4.04Å; L210-L214 WeakPolarHBondContact O-CB 3.4Å; L210-L214 PolarHBondContact O-N 2.99Å; L211-L214 WeakPolarHBondContact O-CB 3.49Å; L211-L214 PolarHBondContact O-N 3.33Å; L214-C216 PolarHBondContact O-N 3.35Å; L214-E218 VanDerWaalsContact O-CB 3.25Å; L214-E218 WeakPolarHBondContact O-CB 3.37Å; L214-E218 PolarHBondContact O-N 3.29Å; L214-W221 HydrophobicContact CD1-CZ3 4.14Å; L214-M228 HydrophobicContact CD1-CE 4.47Å; L214-M228 HydrophobicContact CD2-CE 4.27Å; L214-L232 HydrophobicContact CD1-CD1 4.45Å; L214-I235 HydrophobicContact CB-CD1 3.59Å; L214-I235 HydrophobicContact CD1-CD1 3.66Å; L214-I235 HydrophobicContact CG-CD1 4.17Å; L214-F294 HydrophobicContact CD2-CE1 4.21Å |
| 215 | Y | 85.1 | Confident | 83.8 | Confident | 11 Ų | 11 | 28.6 Ų | 28.6 | 4% | 0.043 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62 | -42.8 | 178.3 | -64.4 | -9.4 | 0 | 0 | 0 | 113.2 | F135 Q181 L211 Y212 S213 Y219 F266 F270 | F135-Y215 AromaticContact CZ-CE2 3.8Å; F135-Y215 HydrophobicContact CZ-CE2 3.8Å; Q181-Y215 HydrophobicContact CB-CE1 3.69Å; Q181-Y215 VanDerWaalsContact CD-CD1 3.49Å; Q181-Y215 HydrophobicContact CG-CD1 4.09Å; Q181-Y215 HydrophobicContact CG-CE1 3.49Å; Q181-Y215 VanDerWaalsContact CG-CE1 3.49Å; Q181-Y215 VanDerWaalsContact OE1-CD1 3.32Å; L211-Y215 HydrophobicContact CD1-CD1 4.07Å; L211-Y215 HydrophobicContact CD1-CE1 3.26Å; L211-Y215 HydrophobicContact CD1-CE2 4.44Å; L211-Y215 HydrophobicContact CD2-CE2 4.47Å; L211-Y215 HydrophobicContact CG-CD1 4.47Å; L211-Y215 HydrophobicContact CG-CE1 3.76Å; L211-Y215 HydrophobicContact CG-CE2 4.05Å; L211-Y215 VanDerWaalsContact O-CD1 3.29Å; L211-Y215 WeakPolarHBondContact O-CD1 3.37Å; L211-Y215 VanDerWaalsContact O-CG 3.32Å; L211-Y215 PolarHBondContact O-N 3.02Å; Y212-Y215 HydrophobicContact CD1-CD2 4.11Å; Y212-Y215 HydrophobicContact CD1-CE2 4.22Å; Y212-Y215 HydrophobicContact CE1-CE2 4.49Å; Y212-Y215 PolarHBondContact O-N 3.26Å; S213-Y215 VanDerWaalsContact C-N 3.28Å; S213-Y215 PolarHBondContact O-N 3.34Å; Y215-Y219 WeakPolarHBondContact O-CD2 3.18Å; Y215-Y219 WeakPolarHBondContact O-CE2 3.44Å; Y215-F266 AromaticContact CD2-CE2 3.93Å; Y215-F266 HydrophobicContact CD2-CE2 3.93Å; Y215-F266 AromaticContact CD2-CZ 3.74Å; Y215-F266 HydrophobicContact CD2-CZ 3.74Å; Y215-F266 HydrophobicContact CE2-CE2 4.33Å; Y215-F266 HydrophobicContact CE2-CZ 4.16Å; Y215-F270 VanDerWaalsContact CB-CE2 3.45Å; Y215-F270 HydrophobicContact CD2-CE2 4.44Å; Y215-F270 HydrophobicContact CG-CE2 4.42Å |
| 216 | C | 84.3 | Confident | 83.1 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.007 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -73.2 | -42.1 | -176.4 | -60.8 | 0 | 0 | 0 | 0 | 111.8 | Y212 S213 L214 F245 F273 A277 | Y212-C216 PolarHBondContact O-N 3.31Å; Y212-C216 PolarHBondContact O-SG 3.25Å; S213-C216 PolarHBondContact O-N 3.16Å; L214-C216 PolarHBondContact O-N 3.35Å; C216-F245 HydrophobicContact CB-CE1 3.91Å; C216-F273 HydrophobicContact CB-CB 4.5Å; C216-F273 VanDerWaalsContact SG-CB 3.52Å; C216-A277 HydrophobicContact CB-CB 3.83Å |
| 217 | F | 85.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -79.3 | -17.6 | -179.4 | -79.9 | -88.5 | 0 | 0 | 0 | 113.7 | S213 Y219 R220 W221 Y241 Y242 F245 A277 A280 | S213-F217 WeakPolarHBondContact O-CB 3.35Å; S213-F217 WeakPolarHBondContact O-CD2 3.5Å; S213-F217 PolarHBondContact O-N 3.46Å; F217-Y219 VanDerWaalsContact C-N 3.27Å; F217-Y219 PolarHBondContact O-N 2.98Å; F217-R220 WeakPolarHBondContact O-CB 3.35Å; F217-R220 PolarHBondContact O-N 3.45Å; F217-R220 VanDerWaalsContact O-N 3.14Å; F217-W221 HydrophobicContact CB-CD2 3.95Å; F217-W221 HydrophobicContact CB-CE3 3.7Å; F217-W221 HydrophobicContact CB-CH2 3.38Å; F217-W221 HydrophobicContact CB-CZ2 3.62Å; F217-W221 HydrophobicContact CB-CZ3 3.42Å; F217-W221 VanDerWaalsContact CB-CZ3 3.42Å; F217-W221 HydrophobicContact CD1-CZ2 4.02Å; F217-W221 HydrophobicContact CG-CH2 4.01Å; F217-W221 AromaticContact CG-CZ2 3.98Å; F217-W221 HydrophobicContact CG-CZ2 3.98Å; F217-W221 HydrophobicContact CG-CZ3 4.49Å; F217-W221 PolarHBondContact O-N 2.97Å; F217-Y241 HydrophobicContact CE2-CE1 4.37Å; F217-Y241 AromaticContact CZ-CE1 3.86Å; F217-Y241 HydrophobicContact CZ-CE1 3.86Å; F217-Y242 HydrophobicContact CD1-CE1 4.32Å; F217-Y242 HydrophobicContact CD2-CD1 4.04Å; F217-Y242 AromaticContact CD2-CE1 3.95Å; F217-Y242 HydrophobicContact CD2-CE1 3.95Å; F217-Y242 HydrophobicContact CE1-CE1 4.33Å; F217-Y242 AromaticContact CE2-CD1 3.99Å; F217-Y242 HydrophobicContact CE2-CD1 3.99Å; F217-Y242 AromaticContact CE2-CE1 3.96Å; F217-Y242 HydrophobicContact CE2-CE1 3.96Å; F217-Y242 HydrophobicContact CG-CE1 4.14Å; F217-Y242 HydrophobicContact CZ-CE1 4.17Å; F217-F245 HydrophobicContact CD2-CD1 4.28Å; F217-F245 HydrophobicContact CD2-CE1 4.22Å; F217-F245 HydrophobicContact CE2-CB 4.45Å; F217-F245 AromaticContact CE2-CD1 3.62Å; F217-F245 HydrophobicContact CE2-CD1 3.62Å; F217-F245 AromaticContact CE2-CD2 3.81Å; F217-F245 HydrophobicContact CE2-CD2 3.81Å; F217-F245 AromaticContact CE2-CE1 3.7Å; F217-F245 HydrophobicContact CE2-CE1 3.7Å; F217-F245 AromaticContact CE2-CE2 3.88Å; F217-F245 HydrophobicContact CE2-CE2 3.88Å; F217-F245 AromaticContact CE2-CG 3.69Å; F217-F245 HydrophobicContact CE2-CG 3.69Å; F217-F245 AromaticContact CE2-CZ 3.84Å; F217-F245 HydrophobicContact CE2-CZ 3.84Å; F217-F245 HydrophobicContact CZ-CD2 4.05Å; F217-F245 HydrophobicContact CZ-CE2 4.03Å; F217-F245 HydrophobicContact CZ-CG 4.35Å; F217-F245 HydrophobicContact CZ-CZ 4.32Å; F217-A277 HydrophobicContact CD1-CB 4.04Å; F217-A277 HydrophobicContact CD2-CB 3.88Å; F217-A277 HydrophobicContact CE1-CB 4.09Å; F217-A277 WeakPolarHBondContact CE1-O 3.31Å; F217-A277 HydrophobicContact CE2-CB 3.94Å; F217-A277 HydrophobicContact CG-CB 3.93Å; F217-A277 HydrophobicContact CZ-CB 4.03Å; F217-A280 HydrophobicContact CE1-CB 4.33Å; F217-A280 HydrophobicContact CZ-CB 4.13Å |
| 218 | E | 82.6 | Confident | 81.7 | Confident | 25 Ų | 25 | 32 Ų | 32 | 12% | 0.117 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -53 | -44.8 | 176 | 179.3 | 168.2 | 97.2 | 0 | 0 | 111.8 | Q181 L214 R220 W221 F222 | Q181-E218 PolarHBondContact NE2-OE2 3.3Å; L214-E218 VanDerWaalsContact O-CB 3.25Å; L214-E218 WeakPolarHBondContact O-CB 3.37Å; L214-E218 PolarHBondContact O-N 3.29Å; E218-R220 VanDerWaalsContact C-N 3.34Å; E218-R220 PolarHBondContact O-N 3.31Å; E218-W221 PolarHBondContact O-N 2.71Å; E218-F222 WeakPolarHBondContact O-CB 3.39Å; E218-F222 PolarHBondContact O-N 3.26Å |
| 219 | Y | 71.6 | Confident | 81.1 | Confident | 28 Ų | 28 | 35.1 Ų | 35.1 | 11% | 0.11 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.8 | -46 | 178.5 | -66.8 | -92.6 | 0 | 0 | 0 | 112 | K139 A143 Y215 F217 N223 F270 I274 | K139-Y219 WeakPolarHBondContact CA-OH 3.44Å; K139-Y219 PolarHBondContact O-OH 3.47Å; A143-Y219 HydrophobicContact CB-CE1 3.86Å; Y215-Y219 WeakPolarHBondContact O-CD2 3.18Å; Y215-Y219 WeakPolarHBondContact O-CE2 3.44Å; F217-Y219 VanDerWaalsContact C-N 3.27Å; F217-Y219 PolarHBondContact O-N 2.98Å; Y219-N223 VanDerWaalsContact O-CG 3.23Å; Y219-N223 PolarHBondContact O-N 3.36Å; Y219-N223 VanDerWaalsContact O-N 3.08Å; Y219-N223 PolarHBondContact O-ND2 3Å; Y219-F270 HydrophobicContact CE2-CE1 4.24Å; Y219-F270 AromaticContact CE2-CZ 3.8Å; Y219-F270 HydrophobicContact CE2-CZ 3.8Å; Y219-I274 HydrophobicContact CD2-CD1 3.9Å; Y219-I274 HydrophobicContact CD2-CG1 3.85Å; Y219-I274 HydrophobicContact CD2-CG2 4.15Å; Y219-I274 HydrophobicContact CE2-CD1 3.51Å; Y219-I274 HydrophobicContact CE2-CG1 3.92Å; Y219-I274 HydrophobicContact CG-CG2 4.15Å |
| 220 | R | 76.4 | Confident | 80.6 | Confident | 38 Ų | 38 | 40.3 Ų | 40.3 | 14% | 0.143 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.3 | -48.5 | 177.8 | -178 | -178 | 177.6 | 163.2 | 5.1 | 111.3 | F217 E218 N223 H224 A277 N278 A280 | F217-R220 WeakPolarHBondContact O-CB 3.35Å; F217-R220 PolarHBondContact O-N 3.45Å; F217-R220 VanDerWaalsContact O-N 3.14Å; E218-R220 VanDerWaalsContact C-N 3.34Å; E218-R220 PolarHBondContact O-N 3.31Å; R220-N223 PolarHBondContact O-N 3.42Å; R220-H224 PolarHBondContact O-N 3.19Å; R220-H224 PolarHBondContact O-ND1 3.07Å; R220-A277 WeakPolarHBondContact CD-O 3.15Å; R220-A277 PolarHBondContact NH1-O 3.4Å; R220-N278 WeakPolarHBondContact CB-OD1 3.25Å; R220-A280 PolarHBondContact NH1-O 3.3Å; R220-A280 PolarHBondContact NH2-O 3.05Å; R220-A280 VanDerWaalsContact NH2-O 3.15Å |
| 221 | W | 78.5 | Confident | 80.3 | Confident | 6 Ų | 6 | 40.4 Ų | 40.4 | 2% | 0.023 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.3 | -35.4 | -176.6 | -69.2 | -31.1 | 0 | 0 | 0 | 112.7 | L214 F217 E218 N223 H224 G225 I226 R231 I235 Y242 | L214-W221 HydrophobicContact CD1-CZ3 4.14Å; F217-W221 HydrophobicContact CB-CD2 3.95Å; F217-W221 HydrophobicContact CB-CE3 3.7Å; F217-W221 HydrophobicContact CB-CH2 3.38Å; F217-W221 HydrophobicContact CB-CZ2 3.62Å; F217-W221 HydrophobicContact CB-CZ3 3.42Å; F217-W221 VanDerWaalsContact CB-CZ3 3.42Å; F217-W221 HydrophobicContact CD1-CZ2 4.02Å; F217-W221 HydrophobicContact CG-CH2 4.01Å; F217-W221 AromaticContact CG-CZ2 3.98Å; F217-W221 HydrophobicContact CG-CZ2 3.98Å; F217-W221 HydrophobicContact CG-CZ3 4.49Å; F217-W221 PolarHBondContact O-N 2.97Å; E218-W221 PolarHBondContact O-N 2.71Å; W221-N223 VanDerWaalsContact C-N 3.35Å; W221-H224 CarbonylContact O-C 3.47Å; W221-H224 PolarHBondContact O-N 3.37Å; W221-H224 VanDerWaalsContact O-N 3.14Å; W221-G225 PolarHBondContact O-N 2.98Å; W221-G225 VanDerWaalsContact O-N 3.15Å; W221-I226 HydrophobicContact CB-CB 4.09Å; W221-I226 HydrophobicContact CB-CD1 4.3Å; W221-I226 HydrophobicContact CG-CD1 4.17Å; W221-I226 PolarHBondContact O-N 2.94Å; W221-R231 HydrophobicContact CB-CG 3.92Å; W221-R231 HydrophobicContact CD2-CB 4.36Å; W221-R231 HydrophobicContact CD2-CG 4.03Å; W221-R231 HydrophobicContact CE3-CB 3.71Å; W221-R231 HydrophobicContact CE3-CG 3.69Å; W221-R231 HydrophobicContact CG-CG 4.19Å; W221-R231 HydrophobicContact CZ3-CB 4.04Å; W221-I235 HydrophobicContact CH2-CD1 3.93Å; W221-I235 HydrophobicContact CH2-CG1 3.7Å; W221-I235 HydrophobicContact CZ3-CD1 4Å; W221-I235 HydrophobicContact CZ3-CG1 4.2Å; W221-Y242 AromaticContact CH2-CE1 3.84Å; W221-Y242 HydrophobicContact CH2-CE1 3.84Å; W221-Y242 AromaticContact CZ2-CE1 3.82Å; W221-Y242 HydrophobicContact CZ2-CE1 3.82Å; W221-Y242 AromaticContact CZ2-CZ 3.78Å; W221-Y242 WeakPolarHBondContact CZ2-OH 3.31Å |
| 222 | F | 71.9 | Confident | 80.1 | Confident | 87 Ų | 87 | 40.8 Ų | 40.8 | 38% | 0.382 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.3 | -46 | 172.6 | -173.1 | -93.9 | 0 | 0 | 0 | 110.7 | I170 E218 H224 G225 | I170-F222 HydrophobicContact CG2-CE2 4.22Å; I170-F222 HydrophobicContact CG2-CZ 3.76Å; E218-F222 WeakPolarHBondContact O-CB 3.39Å; E218-F222 PolarHBondContact O-N 3.26Å; F222-H224 PolarHBondContact O-N 2.68Å; F222-G225 PolarHBondContact O-N 2.89Å |
| 223 | N | 66.2 | Low | 80.1 | Confident | 75 Ų | 75 | 41 Ų | 41 | 40% | 0.401 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63 | -25.4 | 175 | -69.3 | -12.8 | 0 | 0 | 0 | 113.5 | A150 Y219 R220 W221 G225 | A150-N223 WeakPolarHBondContact CB-ND2 3.43Å; Y219-N223 VanDerWaalsContact O-CG 3.23Å; Y219-N223 PolarHBondContact O-N 3.36Å; Y219-N223 VanDerWaalsContact O-N 3.08Å; Y219-N223 PolarHBondContact O-ND2 3Å; R220-N223 PolarHBondContact O-N 3.42Å; W221-N223 VanDerWaalsContact C-N 3.35Å; N223-G225 VanDerWaalsContact C-N 3.35Å |
| 224 | H | 69.2 | Low | 79.9 | Confident | 131 Ų | 131 | 43 Ų | 43 | 61% | 0.606 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 4.5 | 174.4 | -71 | 72.6 | 0 | 0 | 0 | 113.2 | R220 W221 F222 I226 | R220-H224 PolarHBondContact O-N 3.19Å; R220-H224 PolarHBondContact O-ND1 3.07Å; W221-H224 CarbonylContact O-C 3.47Å; W221-H224 PolarHBondContact O-N 3.37Å; W221-H224 VanDerWaalsContact O-N 3.14Å; F222-H224 PolarHBondContact O-N 2.68Å; H224-I226 HydrophobicContact CB-CD1 4.06Å; H224-I226 HydrophobicContact CB-CG1 4Å; H224-I226 PolarHBondContact O-N 3.16Å |
| 225 | G | 68.6 | Low | 80 | Confident | 56 Ų | 56 | 42.9 Ų | 42.9 | 58% | 0.577 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 19.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | W221 F222 N223 | W221-G225 PolarHBondContact O-N 2.98Å; W221-G225 VanDerWaalsContact O-N 3.15Å; F222-G225 PolarHBondContact O-N 2.89Å; N223-G225 VanDerWaalsContact C-N 3.35Å |
| 226 | I | 77.5 | Confident | 80.3 | Confident | 49 Ų | 49 | 43.1 Ų | 43.1 | 25% | 0.251 | 22% | 0.221 | S | C | . | . | trans | -76.6 | 126.7 | -178.9 | -61.4 | 176.2 | 0 | 0 | 0 | 108.9 | W221 H224 Q230 R231 | W221-I226 HydrophobicContact CB-CB 4.09Å; W221-I226 HydrophobicContact CB-CD1 4.3Å; W221-I226 HydrophobicContact CG-CD1 4.17Å; W221-I226 PolarHBondContact O-N 2.94Å; H224-I226 HydrophobicContact CB-CD1 4.06Å; H224-I226 HydrophobicContact CB-CG1 4Å; H224-I226 PolarHBondContact O-N 3.16Å; I226-Q230 HydrophobicContact CG2-CB 3.74Å; I226-R231 HydrophobicContact CG2-CG 3.89Å; I226-R231 PolarHBondContact O-NE 2.75Å; I226-R231 PolarHBondContact O-NH2 3.24Å | ||
| 227 | E | 78.3 | Confident | 80.6 | Confident | 95 Ų | 95 | 48.6 Ų | 48.6 | 44% | 0.444 | 24% | 0.241 | S | C | . | . | trans | -72.2 | 153.1 | -178.9 | -60.7 | -173.4 | 155.1 | 0 | 0 | 112.6 | K169 H229 Q230 R231 | K169-E227 IonicContact NZ-OE1 3.71Å; E227-H229 PolarHBondContact O-N 3.46Å; E227-Q230 WeakPolarHBondContact O-CB 3.36Å; E227-Q230 PolarHBondContact O-N 3.4Å; E227-R231 WeakPolarHBondContact O-CG 3.12Å; E227-R231 PolarHBondContact O-N 3.31Å; E227-R231 VanDerWaalsContact O-N 3.11Å | ||
| 228 | M | 78.3 | Confident | 80.9 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -53.1 | -45.8 | -175.1 | -178.4 | 50.8 | 155.7 | 0 | 0 | 114.8 | F176 N177 L180 L214 Q230 R231 L232 | F176-M228 HydrophobicContact CD1-CB 4.04Å; F176-M228 HydrophobicContact CD1-CG 3.8Å; F176-M228 HydrophobicContact CE1-CB 4.17Å; F176-M228 HydrophobicContact CE1-CG 3.78Å; N177-M228 HydrophobicContact CB-CE 4.12Å; N177-M228 WeakPolarHBondContact OD1-CB 3.38Å; N177-M228 VanDerWaalsContact OD1-CE 3.29Å; N177-M228 WeakPolarHBondContact OD1-CE 3.34Å; N177-M228 WeakPolarHBondContact OD1-CG 3.48Å; N177-M228 PolarHBondContact OD1-SD 2.88Å; L180-M228 HydrophobicContact CB-CE 4.14Å; L180-M228 HydrophobicContact CD1-CE 3.69Å; L180-M228 HydrophobicContact CD1-CG 3.82Å; L214-M228 HydrophobicContact CD1-CE 4.47Å; L214-M228 HydrophobicContact CD2-CE 4.27Å; M228-Q230 PolarHBondContact O-N 3.48Å; M228-R231 WeakPolarHBondContact O-CA 3.46Å; M228-R231 WeakPolarHBondContact O-CB 3.47Å; M228-R231 PolarHBondContact O-N 2.88Å; M228-R231 HydrophobicContact SD-CB 4.25Å; M228-L232 HydrophobicContact CE-CD1 3.27Å; M228-L232 HydrophobicContact CG-CD1 3.94Å; M228-L232 WeakPolarHBondContact O-CD1 3.45Å; M228-L232 PolarHBondContact O-N 3.39Å; M228-L232 HydrophobicContact SD-CD1 3.28Å; M228-L232 WeakPolarHBondContact SD-CD1 3.35Å |
| 229 | H | 80.1 | Confident | 81.4 | Confident | 101 Ų | 101 | 49.4 Ų | 49.4 | 47% | 0.468 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.3 | -34.8 | -180 | -64.6 | 87.9 | 0 | 0 | 0 | 112.1 | F176 E227 S233 | F176-H229 AromaticContact CE1-CE1 3.76Å; F176-H229 AromaticContact CZ-CE1 3.86Å; F176-H229 AromaticContact CZ-NE2 3.82Å; E227-H229 PolarHBondContact O-N 3.46Å; H229-S233 WeakPolarHBondContact O-CB 3.37Å; H229-S233 PolarHBondContact O-N 3.42Å |
| 230 | Q | 83.7 | Confident | 82.5 | Confident | 109 Ų | 109 | 48.1 Ų | 48.1 | 51% | 0.509 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -72.1 | -37.5 | 175.8 | -60.8 | 179.6 | -6.1 | 0 | 0 | 111.3 | I226 E227 M228 S233 N234 | I226-Q230 HydrophobicContact CG2-CB 3.74Å; E227-Q230 WeakPolarHBondContact O-CB 3.36Å; E227-Q230 PolarHBondContact O-N 3.4Å; M228-Q230 PolarHBondContact O-N 3.48Å; Q230-S233 PolarHBondContact O-N 3.33Å; Q230-N234 WeakPolarHBondContact O-CB 3.31Å; Q230-N234 PolarHBondContact O-N 3.25Å |
| 231 | R | 87.5 | Confident | 83.4 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.1 | -48.3 | 174.1 | -57.9 | 176.1 | -163.9 | 158.6 | 12.4 | 111 | D173 N177 W221 I226 E227 M228 N234 I235 | D173-R231 IonicContact OD2-CZ 3.54Å; D173-R231 IonicContact OD2-NH1 3.15Å; D173-R231 PolarHBondContact OD2-NH1 2.8Å; D173-R231 IonicContact OD2-NH2 2.98Å; D173-R231 PolarHBondContact OD2-NH2 3.41Å; N177-R231 PolarHBondContact ND2-NH1 2.89Å; W221-R231 HydrophobicContact CB-CG 3.92Å; W221-R231 HydrophobicContact CD2-CB 4.36Å; W221-R231 HydrophobicContact CD2-CG 4.03Å; W221-R231 HydrophobicContact CE3-CB 3.71Å; W221-R231 HydrophobicContact CE3-CG 3.69Å; W221-R231 HydrophobicContact CG-CG 4.19Å; W221-R231 HydrophobicContact CZ3-CB 4.04Å; I226-R231 HydrophobicContact CG2-CG 3.89Å; I226-R231 PolarHBondContact O-NE 2.75Å; I226-R231 PolarHBondContact O-NH2 3.24Å; E227-R231 WeakPolarHBondContact O-CG 3.12Å; E227-R231 PolarHBondContact O-N 3.31Å; E227-R231 VanDerWaalsContact O-N 3.11Å; M228-R231 WeakPolarHBondContact O-CA 3.46Å; M228-R231 WeakPolarHBondContact O-CB 3.47Å; M228-R231 PolarHBondContact O-N 2.88Å; M228-R231 HydrophobicContact SD-CB 4.25Å; R231-N234 WeakPolarHBondContact O-CB 3.34Å; R231-N234 PolarHBondContact O-N 3.38Å; R231-I235 PolarHBondContact O-N 2.99Å; R231-I235 VanDerWaalsContact O-N 3.09Å |
| 232 | L | 87.3 | Confident | 84.2 | Confident | 9 Ų | 9 | 46.1 Ų | 46.1 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.3 | -50.8 | 176.3 | -92.8 | 66.4 | 0 | 0 | 0 | 111.5 | L180 L214 M228 N234 I235 E236 F294 V298 | L180-L232 HydrophobicContact CD1-CD1 4.45Å; L180-L232 HydrophobicContact CD1-CD2 4.11Å; L214-L232 HydrophobicContact CD1-CD1 4.45Å; M228-L232 HydrophobicContact CE-CD1 3.27Å; M228-L232 HydrophobicContact CG-CD1 3.94Å; M228-L232 WeakPolarHBondContact O-CD1 3.45Å; M228-L232 PolarHBondContact O-N 3.39Å; M228-L232 HydrophobicContact SD-CD1 3.28Å; M228-L232 WeakPolarHBondContact SD-CD1 3.35Å; L232-N234 PolarHBondContact O-N 2.89Å; L232-I235 PolarHBondContact O-N 3.39Å; L232-E236 WeakPolarHBondContact O-CG 3.22Å; L232-E236 PolarHBondContact O-N 2.92Å; L232-F294 HydrophobicContact CD2-CB 3.68Å; L232-F294 HydrophobicContact CD2-CD1 4.33Å; L232-F294 HydrophobicContact CD2-CG 4.08Å; L232-F294 HydrophobicContact CG-CB 4.14Å; L232-F294 HydrophobicContact CG-CD1 4.3Å; L232-F294 HydrophobicContact CG-CD2 4.45Å; L232-F294 HydrophobicContact CG-CG 4.05Å; L232-V298 HydrophobicContact CD2-CG2 3.39Å |
| 233 | S | 87.8 | Confident | 85.3 | Confident | 32 Ų | 32 | 43.4 Ų | 43.4 | 22% | 0.224 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.4 | -38.2 | 179.2 | -175 | 0 | 0 | 0 | 0 | 112.1 | H229 Q230 E236 R237 | H229-S233 WeakPolarHBondContact O-CB 3.37Å; H229-S233 PolarHBondContact O-N 3.42Å; Q230-S233 PolarHBondContact O-N 3.33Å; S233-E236 PolarHBondContact O-N 3.43Å; S233-R237 WeakPolarHBondContact O-CB 3.37Å; S233-R237 WeakPolarHBondContact O-CD 3.39Å; S233-R237 WeakPolarHBondContact O-CG 3.45Å; S233-R237 PolarHBondContact O-N 2.87Å; S233-R237 PolarHBondContact OG-NE 2.94Å |
| 234 | N | 88.5 | Confident | 86.7 | Confident | 41 Ų | 41 | 39.9 Ų | 39.9 | 22% | 0.219 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.2 | -44.5 | 175.3 | -171.1 | 9.3 | 0 | 0 | 0 | 111.8 | Q230 R231 L232 R237 N238 Y242 | Q230-N234 WeakPolarHBondContact O-CB 3.31Å; Q230-N234 PolarHBondContact O-N 3.25Å; R231-N234 WeakPolarHBondContact O-CB 3.34Å; R231-N234 PolarHBondContact O-N 3.38Å; L232-N234 PolarHBondContact O-N 2.89Å; N234-R237 PolarHBondContact O-N 3.4Å; N234-N238 PolarHBondContact O-N 3.27Å; N234-N238 VanDerWaalsContact O-N 3.09Å; N234-N238 PolarHBondContact OD1-ND2 2.73Å; N234-Y242 PolarHBondContact ND2-OH 3.49Å; N234-Y242 VanDerWaalsContact ND2-OH 3.14Å; N234-Y242 PolarHBondContact OD1-OH 3.32Å |
| 235 | I | 91.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.5 | -47.2 | 176.1 | -65.4 | -177.8 | 0 | 0 | 0 | 111.2 | L210 L214 W221 R231 L232 R237 N238 W239 Y242 F294 | L210-I235 HydrophobicContact CD2-CG2 3.94Å; L214-I235 HydrophobicContact CB-CD1 3.59Å; L214-I235 HydrophobicContact CD1-CD1 3.66Å; L214-I235 HydrophobicContact CG-CD1 4.17Å; W221-I235 HydrophobicContact CH2-CD1 3.93Å; W221-I235 HydrophobicContact CH2-CG1 3.7Å; W221-I235 HydrophobicContact CZ3-CD1 4Å; W221-I235 HydrophobicContact CZ3-CG1 4.2Å; R231-I235 PolarHBondContact O-N 2.99Å; R231-I235 VanDerWaalsContact O-N 3.09Å; L232-I235 PolarHBondContact O-N 3.39Å; I235-R237 VanDerWaalsContact C-N 3.28Å; I235-R237 PolarHBondContact O-N 2.67Å; I235-N238 CarbonylContact O-C 3.42Å; I235-N238 PolarHBondContact O-N 3.49Å; I235-W239 WeakPolarHBondContact O-CA 3.16Å; I235-W239 WeakPolarHBondContact O-CB 3.32Å; I235-W239 PolarHBondContact O-N 2.95Å; I235-Y242 HydrophobicContact CB-CD2 4.07Å; I235-Y242 HydrophobicContact CB-CE2 4.37Å; I235-Y242 HydrophobicContact CG1-CD1 4.38Å; I235-Y242 HydrophobicContact CG1-CD2 3.94Å; I235-Y242 HydrophobicContact CG1-CE2 4.04Å; I235-Y242 HydrophobicContact CG1-CG 4.1Å; I235-Y242 HydrophobicContact CG2-CD2 4.11Å; I235-Y242 HydrophobicContact CG2-CG 4.3Å; I235-F294 HydrophobicContact CB-CE2 4.32Å; I235-F294 HydrophobicContact CG2-CE2 3.77Å; I235-F294 HydrophobicContact CG2-CZ 4.25Å |
| 236 | E | 91.3 | Very high | 89.2 | Confident | 16 Ų | 16 | 31 Ų | 31 | 8% | 0.075 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.8 | -34.8 | -178.5 | -65.6 | -168 | 155.6 | 0 | 0 | 112.9 | L232 S233 Q290 L291 R292 F294 | L232-E236 WeakPolarHBondContact O-CG 3.22Å; L232-E236 PolarHBondContact O-N 2.92Å; S233-E236 PolarHBondContact O-N 3.43Å; E236-Q290 HydrophobicContact CB-CG 3.78Å; E236-Q290 WeakPolarHBondContact O-CA 3.41Å; E236-Q290 PolarHBondContact OE2-NE2 3.06Å; E236-L291 VanDerWaalsContact CB-O 3.31Å; E236-L291 WeakPolarHBondContact CB-O 3.45Å; E236-L291 WeakPolarHBondContact CG-O 3.28Å; E236-L291 PolarHBondContact O-N 2.76Å; E236-R292 WeakPolarHBondContact OE1-CA 3.22Å; E236-F294 HydrophobicContact CG-CD2 3.77Å; E236-F294 HydrophobicContact CG-CE2 4.44Å; E236-F294 PolarHBondContact OE1-N 2.97Å |
| 237 | R | 90.7 | Very high | 90 | Very high | 116 Ų | 116 | 29.8 Ų | 29.8 | 44% | 0.438 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -79.6 | -25.5 | -179.8 | -71.4 | 171.9 | -176.9 | -172.6 | 1.4 | 113.9 | S233 N234 I235 L286 Y287 Q290 | S233-R237 WeakPolarHBondContact O-CB 3.37Å; S233-R237 WeakPolarHBondContact O-CD 3.39Å; S233-R237 WeakPolarHBondContact O-CG 3.45Å; S233-R237 PolarHBondContact O-N 2.87Å; S233-R237 PolarHBondContact OG-NE 2.94Å; N234-R237 PolarHBondContact O-N 3.4Å; I235-R237 VanDerWaalsContact C-N 3.28Å; I235-R237 PolarHBondContact O-N 2.67Å; R237-L286 HydrophobicContact CB-CD2 3.89Å; R237-L286 HydrophobicContact CG-CD2 4.44Å; R237-Y287 VanDerWaalsContact O-CB 3.23Å; R237-Y287 WeakPolarHBondContact O-CB 3.47Å; R237-Y287 PolarHBondContact O-N 3.5Å; R237-Y287 VanDerWaalsContact O-N 3.13Å; R237-Q290 HydrophobicContact CG-CG 4.36Å |
| 238 | N | 91.9 | Very high | 90.8 | Very high | 7 Ų | 7 | 26.4 Ų | 26.4 | 4% | 0.037 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | 30.7 | -179.7 | -62.6 | -47.3 | 0 | 0 | 0 | 111.5 | N234 I235 P240 Y241 Y242 P283 K285 L286 | N234-N238 PolarHBondContact O-N 3.27Å; N234-N238 VanDerWaalsContact O-N 3.09Å; N234-N238 PolarHBondContact OD1-ND2 2.73Å; I235-N238 CarbonylContact O-C 3.42Å; I235-N238 PolarHBondContact O-N 3.49Å; N238-P240 VanDerWaalsContact C-N 3.31Å; N238-P240 WeakPolarHBondContact O-CD 3.49Å; N238-P240 VanDerWaalsContact O-N 3.14Å; N238-Y241 WeakPolarHBondContact O-CB 3.43Å; N238-Y241 PolarHBondContact O-N 3.42Å; N238-Y241 VanDerWaalsContact O-N 3.07Å; N238-Y242 HydrophobicContact CB-CD2 4.13Å; N238-Y242 HydrophobicContact CB-CE2 3.75Å; N238-Y242 WeakPolarHBondContact O-CD2 3.26Å; N238-Y242 PolarHBondContact O-N 2.88Å; N238-P283 HydrophobicContact CB-CG 3.85Å; N238-K285 PolarHBondContact OD1-O 3.09Å; N238-L286 WeakPolarHBondContact OD1-CA 3.33Å |
| 239 | W | 93.4 | Very high | 91.4 | Very high | 35 Ų | 35 | 26.3 Ų | 26.3 | 13% | 0.133 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.9 | -32.6 | -169.7 | 75.7 | -92.6 | 0 | 0 | 0 | 114.7 | F8 L206 L210 I235 Y241 Y242 F243 Y287 F289 L291 | F8-W239 AromaticContact CD2-CH2 3.9Å; F8-W239 HydrophobicContact CD2-CH2 3.9Å; F8-W239 HydrophobicContact CD2-CZ2 4.13Å; F8-W239 HydrophobicContact CE2-CE3 4.45Å; F8-W239 AromaticContact CE2-CH2 3.18Å; F8-W239 HydrophobicContact CE2-CH2 3.18Å; F8-W239 AromaticContact CE2-CZ2 3.86Å; F8-W239 HydrophobicContact CE2-CZ2 3.86Å; F8-W239 AromaticContact CE2-CZ3 3.53Å; F8-W239 HydrophobicContact CE2-CZ3 3.53Å; F8-W239 AromaticContact CZ-CH2 3.97Å; F8-W239 HydrophobicContact CZ-CH2 3.97Å; F8-W239 HydrophobicContact CZ-CZ3 4.19Å; L206-W239 HydrophobicContact CD1-CE3 4.08Å; L206-W239 HydrophobicContact CD1-CZ3 3.98Å; L210-W239 HydrophobicContact CD2-CB 4.38Å; I235-W239 WeakPolarHBondContact O-CA 3.16Å; I235-W239 WeakPolarHBondContact O-CB 3.32Å; I235-W239 PolarHBondContact O-N 2.95Å; W239-Y241 VanDerWaalsContact C-N 3.3Å; W239-Y241 PolarHBondContact O-N 2.91Å; W239-Y242 PolarHBondContact O-N 3.47Å; W239-F243 HydrophobicContact CE3-CB 4.2Å; W239-F243 HydrophobicContact CZ3-CB 4.48Å; W239-F243 WeakPolarHBondContact O-CB 2.93Å; W239-F243 PolarHBondContact O-N 3.34Å; W239-Y287 AromaticContact NE1-CD1 3.85Å; W239-F289 AromaticContact NE1-CD1 3.93Å; W239-F289 PolarHBondContact NE1-O 2.71Å; W239-L291 HydrophobicContact CB-CB 4.04Å; W239-L291 HydrophobicContact CB-CD2 4.11Å; W239-L291 VanDerWaalsContact CD1-CB 3.44Å; W239-L291 HydrophobicContact CD2-CB 4.09Å; W239-L291 HydrophobicContact CD2-CD2 3.65Å; W239-L291 HydrophobicContact CE3-CD2 3.77Å; W239-L291 HydrophobicContact CG-CB 3.58Å; W239-L291 HydrophobicContact CG-CD2 3.8Å; W239-L291 HydrophobicContact CG-CG 4.36Å; W239-L291 HydrophobicContact CZ3-CD2 4.4Å |
| 240 | P | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65 | -35.4 | 179.1 | -23.9 | 37.8 | 0 | 0 | 0 | 112.6 | F8 N11 V12 N238 G244 Y287 | F8-P240 HydrophobicContact CD2-CB 3.62Å; F8-P240 HydrophobicContact CD2-CG 3.76Å; F8-P240 HydrophobicContact CE2-CB 3.75Å; F8-P240 HydrophobicContact CE2-CG 4.08Å; N11-P240 HydrophobicContact CB-CB 3.72Å; V12-P240 WeakPolarHBondContact CA-O 3.35Å; V12-P240 HydrophobicContact CG2-CB 4.18Å; V12-P240 WeakPolarHBondContact CG2-O 3.48Å; N238-P240 VanDerWaalsContact C-N 3.31Å; N238-P240 WeakPolarHBondContact O-CD 3.49Å; N238-P240 VanDerWaalsContact O-N 3.14Å; P240-G244 PolarHBondContact O-N 2.83Å; P240-Y287 HydrophobicContact CG-CD1 3.85Å; P240-Y287 HydrophobicContact CG-CD2 3.93Å; P240-Y287 HydrophobicContact CG-CE1 3.98Å; P240-Y287 HydrophobicContact CG-CE2 4.04Å; P240-Y287 HydrophobicContact CG-CG 3.84Å |
| 241 | Y | 94.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.008 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.2 | -50.7 | 175.6 | 171.5 | -93.9 | 0 | 0 | 0 | 110.9 | T14 D18 F217 N238 W239 F243 G244 F245 A280 P283 | T14-Y241 HydrophobicContact CG2-CD2 4.34Å; T14-Y241 HydrophobicContact CG2-CE2 4.13Å; D18-Y241 PolarHBondContact OD2-OH 2.91Å; F217-Y241 HydrophobicContact CE2-CE1 4.37Å; F217-Y241 AromaticContact CZ-CE1 3.86Å; F217-Y241 HydrophobicContact CZ-CE1 3.86Å; N238-Y241 WeakPolarHBondContact O-CB 3.43Å; N238-Y241 PolarHBondContact O-N 3.42Å; N238-Y241 VanDerWaalsContact O-N 3.07Å; W239-Y241 VanDerWaalsContact C-N 3.3Å; W239-Y241 PolarHBondContact O-N 2.91Å; Y241-F243 VanDerWaalsContact C-N 3.3Å; Y241-F243 PolarHBondContact O-N 3.2Å; Y241-G244 PolarHBondContact O-N 2.88Å; Y241-F245 PolarHBondContact O-N 3.28Å; Y241-A280 WeakPolarHBondContact OH-CB 3.49Å; Y241-P283 HydrophobicContact CD1-CG 3.73Å; Y241-P283 HydrophobicContact CD2-CG 4.44Å; Y241-P283 HydrophobicContact CE1-CG 4.29Å; Y241-P283 HydrophobicContact CG-CB 4.45Å; Y241-P283 HydrophobicContact CG-CG 3.82Å |
| 242 | Y | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.6 | -30.1 | 179.9 | -64 | -68.5 | 0 | 0 | 0 | 112.6 | S213 F217 W221 N234 I235 N238 W239 G246 | S213-Y242 WeakPolarHBondContact CB-O 3.39Å; S213-Y242 PolarHBondContact OG-O 3.34Å; F217-Y242 HydrophobicContact CD1-CE1 4.32Å; F217-Y242 HydrophobicContact CD2-CD1 4.04Å; F217-Y242 AromaticContact CD2-CE1 3.95Å; F217-Y242 HydrophobicContact CD2-CE1 3.95Å; F217-Y242 HydrophobicContact CE1-CE1 4.33Å; F217-Y242 AromaticContact CE2-CD1 3.99Å; F217-Y242 HydrophobicContact CE2-CD1 3.99Å; F217-Y242 AromaticContact CE2-CE1 3.96Å; F217-Y242 HydrophobicContact CE2-CE1 3.96Å; F217-Y242 HydrophobicContact CG-CE1 4.14Å; F217-Y242 HydrophobicContact CZ-CE1 4.17Å; W221-Y242 AromaticContact CH2-CE1 3.84Å; W221-Y242 HydrophobicContact CH2-CE1 3.84Å; W221-Y242 AromaticContact CZ2-CE1 3.82Å; W221-Y242 HydrophobicContact CZ2-CE1 3.82Å; W221-Y242 AromaticContact CZ2-CZ 3.78Å; W221-Y242 WeakPolarHBondContact CZ2-OH 3.31Å; N234-Y242 PolarHBondContact ND2-OH 3.49Å; N234-Y242 VanDerWaalsContact ND2-OH 3.14Å; N234-Y242 PolarHBondContact OD1-OH 3.32Å; I235-Y242 HydrophobicContact CB-CD2 4.07Å; I235-Y242 HydrophobicContact CB-CE2 4.37Å; I235-Y242 HydrophobicContact CG1-CD1 4.38Å; I235-Y242 HydrophobicContact CG1-CD2 3.94Å; I235-Y242 HydrophobicContact CG1-CE2 4.04Å; I235-Y242 HydrophobicContact CG1-CG 4.1Å; I235-Y242 HydrophobicContact CG2-CD2 4.11Å; I235-Y242 HydrophobicContact CG2-CG 4.3Å; N238-Y242 HydrophobicContact CB-CD2 4.13Å; N238-Y242 HydrophobicContact CB-CE2 3.75Å; N238-Y242 WeakPolarHBondContact O-CD2 3.26Å; N238-Y242 PolarHBondContact O-N 2.88Å; W239-Y242 PolarHBondContact O-N 3.47Å; Y242-G246 PolarHBondContact O-N 3.44Å |
| 243 | F | 95.9 | Very high | 92.6 | Very high | 31 Ų | 31 | 23.3 Ų | 23.3 | 14% | 0.136 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.4 | -53.9 | 168.8 | 172.2 | -116.8 | 0 | 0 | 0 | 109.7 | F8 V12 L206 L210 W239 Y241 F245 G246 L247 | F8-F243 HydrophobicContact CZ-CD1 4.36Å; F8-F243 HydrophobicContact CZ-CE1 4.49Å; V12-F243 HydrophobicContact CG1-CD1 4.43Å; V12-F243 HydrophobicContact CG2-CD1 3.91Å; V12-F243 HydrophobicContact CG2-CE1 4.48Å; L206-F243 HydrophobicContact CB-CD2 4.48Å; L206-F243 HydrophobicContact CB-CE2 4.31Å; L206-F243 HydrophobicContact CD1-CB 4.17Å; L206-F243 HydrophobicContact CD1-CD2 3.41Å; L206-F243 VanDerWaalsContact CD1-CD2 3.41Å; L206-F243 HydrophobicContact CD1-CE2 3.95Å; L206-F243 HydrophobicContact CD1-CG 3.86Å; L210-F243 HydrophobicContact CD2-CB 4.27Å; W239-F243 HydrophobicContact CE3-CB 4.2Å; W239-F243 HydrophobicContact CZ3-CB 4.48Å; W239-F243 WeakPolarHBondContact O-CB 2.93Å; W239-F243 PolarHBondContact O-N 3.34Å; Y241-F243 VanDerWaalsContact C-N 3.3Å; Y241-F243 PolarHBondContact O-N 3.2Å; F243-F245 VanDerWaalsContact C-N 3.33Å; F243-F245 PolarHBondContact O-N 2.95Å; F243-G246 PolarHBondContact O-N 3.39Å; F243-L247 HydrophobicContact CE1-CD2 4.4Å; F243-L247 HydrophobicContact CE2-CD1 3.96Å; F243-L247 HydrophobicContact CZ-CD1 3.89Å; F243-L247 HydrophobicContact CZ-CD2 4.3Å; F243-L247 VanDerWaalsContact O-CB 3.22Å; F243-L247 WeakPolarHBondContact O-CB 3.33Å; F243-L247 PolarHBondContact O-N 2.93Å |
| 244 | G | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.2 | -39.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | V12 I16 P240 Y241 P248 | V12-G244 WeakPolarHBondContact O-CA 3.29Å; I16-G244 WeakPolarHBondContact CA-O 3.5Å; I16-G244 WeakPolarHBondContact CG1-O 3.49Å; I16-G244 PolarHBondContact N-O 2.96Å; P240-G244 PolarHBondContact O-N 2.83Å; Y241-G244 PolarHBondContact O-N 2.88Å; G244-P248 VanDerWaalsContact O-CD 3.28Å; G244-P248 WeakPolarHBondContact O-CD 3.47Å |
| 245 | F | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.5 | -47.1 | 179.8 | -177 | -84.1 | 0 | 0 | 0 | 112.5 | G15 D18 S19 S213 C216 F217 Y241 F243 P248 F273 A277 | G15-F245 WeakPolarHBondContact O-CA 3.47Å; D18-F245 HydrophobicContact CB-CD2 4.33Å; S19-F245 WeakPolarHBondContact CB-O 3.5Å; S19-F245 PolarHBondContact OG-O 2.96Å; S213-F245 WeakPolarHBondContact OG-CD1 3.27Å; C216-F245 HydrophobicContact CB-CE1 3.91Å; F217-F245 HydrophobicContact CD2-CD1 4.28Å; F217-F245 HydrophobicContact CD2-CE1 4.22Å; F217-F245 HydrophobicContact CE2-CB 4.45Å; F217-F245 AromaticContact CE2-CD1 3.62Å; F217-F245 HydrophobicContact CE2-CD1 3.62Å; F217-F245 AromaticContact CE2-CD2 3.81Å; F217-F245 HydrophobicContact CE2-CD2 3.81Å; F217-F245 AromaticContact CE2-CE1 3.7Å; F217-F245 HydrophobicContact CE2-CE1 3.7Å; F217-F245 AromaticContact CE2-CE2 3.88Å; F217-F245 HydrophobicContact CE2-CE2 3.88Å; F217-F245 AromaticContact CE2-CG 3.69Å; F217-F245 HydrophobicContact CE2-CG 3.69Å; F217-F245 AromaticContact CE2-CZ 3.84Å; F217-F245 HydrophobicContact CE2-CZ 3.84Å; F217-F245 HydrophobicContact CZ-CD2 4.05Å; F217-F245 HydrophobicContact CZ-CE2 4.03Å; F217-F245 HydrophobicContact CZ-CG 4.35Å; F217-F245 HydrophobicContact CZ-CZ 4.32Å; Y241-F245 PolarHBondContact O-N 3.28Å; F243-F245 VanDerWaalsContact C-N 3.33Å; F243-F245 PolarHBondContact O-N 2.95Å; F245-P248 WeakPolarHBondContact O-CD 3.37Å; F245-F273 HydrophobicContact CE1-CD1 4.05Å; F245-F273 HydrophobicContact CZ-CD1 4.41Å; F245-A277 HydrophobicContact CE1-CB 4.21Å; F245-A277 HydrophobicContact CE2-CB 4.42Å; F245-A277 HydrophobicContact CZ-CB 3.68Å |
| 246 | G | 94.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -81.5 | -18.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | S213 Y242 F243 M249 A250 | S213-G246 WeakPolarHBondContact OG-CA 3.39Å; S213-G246 PolarHBondContact OG-N 3.41Å; S213-G246 VanDerWaalsContact OG-N 3.07Å; Y242-G246 PolarHBondContact O-N 3.44Å; F243-G246 PolarHBondContact O-N 3.39Å; G246-M249 PolarHBondContact O-N 3.38Å; G246-A250 WeakPolarHBondContact O-CB 3.23Å; G246-A250 PolarHBondContact O-N 2.96Å |
| 247 | L | 95.3 | Very high | 91.3 | Very high | 24 Ų | 24 | 36.8 Ų | 36.8 | 13% | 0.126 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.4 | -46 | -174.5 | -179.2 | 68.4 | 0 | 0 | 0 | 114 | I16 L205 S209 F243 M249 A250 L251 | I16-L247 HydrophobicContact CD1-CD2 4.12Å; L205-L247 HydrophobicContact CD1-CD1 4.18Å; L205-L247 HydrophobicContact CD2-CD1 3.65Å; L205-L247 HydrophobicContact CG-CD1 3.8Å; S209-L247 WeakPolarHBondContact OG-CA 3.36Å; F243-L247 HydrophobicContact CE1-CD2 4.4Å; F243-L247 HydrophobicContact CE2-CD1 3.96Å; F243-L247 HydrophobicContact CZ-CD1 3.89Å; F243-L247 HydrophobicContact CZ-CD2 4.3Å; F243-L247 VanDerWaalsContact O-CB 3.22Å; F243-L247 WeakPolarHBondContact O-CB 3.33Å; F243-L247 PolarHBondContact O-N 2.93Å; L247-M249 VanDerWaalsContact C-N 3.34Å; L247-M249 PolarHBondContact O-N 3.33Å; L247-A250 PolarHBondContact O-N 3.43Å; L247-L251 HydrophobicContact CD1-CD1 4.1Å; L247-L251 HydrophobicContact CD1-CG 4.05Å; L247-L251 HydrophobicContact CG-CD1 3.94Å; L247-L251 HydrophobicContact CG-CG 4.31Å; L247-L251 WeakPolarHBondContact O-CB 3.16Å; L247-L251 WeakPolarHBondContact O-CG 3.44Å; L247-L251 PolarHBondContact O-N 3Å |
| 248 | P | 95.3 | Very high | 90.6 | Very high | 24 Ų | 24 | 33.3 Ų | 33.3 | 16% | 0.156 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.6 | -40.9 | 179 | -24.7 | 36.2 | 0 | 0 | 0 | 112.6 | I16 G244 F245 L252 F273 | I16-P248 HydrophobicContact CG1-CG 4.39Å; I16-P248 HydrophobicContact CG2-CG 4.13Å; G244-P248 VanDerWaalsContact O-CD 3.28Å; G244-P248 WeakPolarHBondContact O-CD 3.47Å; F245-P248 WeakPolarHBondContact O-CD 3.37Å; P248-L252 WeakPolarHBondContact O-CB 3.31Å; P248-L252 VanDerWaalsContact O-CG 3.25Å; P248-L252 WeakPolarHBondContact O-CG 3.46Å; P248-L252 PolarHBondContact O-N 3.49Å; P248-L252 VanDerWaalsContact O-N 3.08Å; P248-F273 HydrophobicContact CB-CE1 4.46Å; P248-F273 HydrophobicContact CB-CZ 4.12Å |
| 249 | M | 90.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.1 | -45.6 | 175.5 | -173.7 | -173.4 | -65.2 | 0 | 0 | 110.8 | Y212 G246 L247 L251 L252 T253 F266 L269 F270 F273 | Y212-M249 HydrophobicContact CD2-CB 3.93Å; Y212-M249 HydrophobicContact CD2-CG 3.64Å; Y212-M249 HydrophobicContact CD2-SD 3.61Å; Y212-M249 HydrophobicContact CE2-CG 3.92Å; Y212-M249 HydrophobicContact CE2-SD 4.12Å; Y212-M249 HydrophobicContact CG-CG 4.45Å; Y212-M249 HydrophobicContact CG-SD 3.83Å; G246-M249 PolarHBondContact O-N 3.38Å; L247-M249 VanDerWaalsContact C-N 3.34Å; L247-M249 PolarHBondContact O-N 3.33Å; M249-L251 VanDerWaalsContact C-N 3.33Å; M249-L251 PolarHBondContact O-N 3.03Å; M249-L252 PolarHBondContact O-N 2.9Å; M249-T253 HydrophobicContact CG-CG2 4.39Å; M249-T253 WeakPolarHBondContact O-CG2 3.11Å; M249-T253 PolarHBondContact O-N 3.26Å; M249-T253 PolarHBondContact O-OG1 3.04Å; M249-F266 HydrophobicContact SD-CD2 3.78Å; M249-F266 HydrophobicContact SD-CE2 3.85Å; M249-L269 HydrophobicContact CE-CB 4.15Å; M249-L269 HydrophobicContact CG-CB 4.32Å; M249-L269 HydrophobicContact CG-CD1 4.3Å; M249-F270 HydrophobicContact CE-CD2 4.47Å; M249-F273 HydrophobicContact CB-CD1 4.25Å; M249-F273 HydrophobicContact CB-CE1 3.8Å; M249-F273 HydrophobicContact CB-CE2 4.23Å; M249-F273 HydrophobicContact CB-CZ 3.79Å; M249-F273 HydrophobicContact CE-CB 3.35Å; M249-F273 HydrophobicContact CE-CD1 3.72Å; M249-F273 HydrophobicContact CE-CD2 3.41Å; M249-F273 VanDerWaalsContact CE-CD2 3.41Å; M249-F273 HydrophobicContact CE-CE1 4.32Å; M249-F273 HydrophobicContact CE-CE2 4.06Å; M249-F273 HydrophobicContact CE-CG 3.21Å; M249-F273 HydrophobicContact CE-CZ 4.47Å |
| 250 | A | 92.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.4 | -42.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L205 M208 S209 Y212 G246 L247 T253 A254 | L205-A250 HydrophobicContact CD1-CB 3.89Å; M208-A250 HydrophobicContact CB-CB 4.08Å; S209-A250 WeakPolarHBondContact OG-CB 3.38Å; Y212-A250 HydrophobicContact CD2-CB 4.09Å; Y212-A250 HydrophobicContact CE2-CB 4.24Å; G246-A250 WeakPolarHBondContact O-CB 3.23Å; G246-A250 PolarHBondContact O-N 2.96Å; L247-A250 PolarHBondContact O-N 3.43Å; A250-T253 WeakPolarHBondContact CA-OG1 3.35Å; A250-T253 PolarHBondContact O-N 3.12Å; A250-T253 PolarHBondContact O-OG1 3.49Å; A250-A254 WeakPolarHBondContact O-CB 3.31Å; A250-A254 PolarHBondContact O-N 3.34Å |
| 251 | L | 93.9 | Very high | 87.5 | Confident | 79 Ų | 79 | 45.6 Ų | 45.6 | 41% | 0.414 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.4 | -47.9 | 175.1 | -74.5 | 172.2 | 0 | 0 | 0 | 111.7 | L205 L247 M249 T253 A254 M255 | L205-L251 HydrophobicContact CD1-CD2 3.87Å; L205-L251 HydrophobicContact CD1-CG 4.18Å; L205-L251 HydrophobicContact CD2-CD2 3.87Å; L247-L251 HydrophobicContact CD1-CD1 4.1Å; L247-L251 HydrophobicContact CD1-CG 4.05Å; L247-L251 HydrophobicContact CG-CD1 3.94Å; L247-L251 HydrophobicContact CG-CG 4.31Å; L247-L251 WeakPolarHBondContact O-CB 3.16Å; L247-L251 WeakPolarHBondContact O-CG 3.44Å; L247-L251 PolarHBondContact O-N 3Å; M249-L251 VanDerWaalsContact C-N 3.33Å; M249-L251 PolarHBondContact O-N 3.03Å; L251-T253 VanDerWaalsContact C-N 3.29Å; L251-T253 PolarHBondContact O-N 2.86Å; L251-A254 PolarHBondContact O-N 2.9Å; L251-M255 WeakPolarHBondContact O-CG 3.26Å; L251-M255 PolarHBondContact O-N 3.28Å; L251-M255 VanDerWaalsContact O-N 3.16Å |
| 252 | L | 90.6 | Very high | 86.8 | Confident | 72 Ų | 72 | 46.3 Ų | 46.3 | 38% | 0.377 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.7 | -37.4 | 179.4 | -72.1 | 170.6 | 0 | 0 | 0 | 112.1 | P248 M249 A254 M255 P256 L265 L269 | P248-L252 WeakPolarHBondContact O-CB 3.31Å; P248-L252 VanDerWaalsContact O-CG 3.25Å; P248-L252 WeakPolarHBondContact O-CG 3.46Å; P248-L252 PolarHBondContact O-N 3.49Å; P248-L252 VanDerWaalsContact O-N 3.08Å; M249-L252 PolarHBondContact O-N 2.9Å; L252-A254 VanDerWaalsContact C-N 3.34Å; L252-M255 HydrophobicContact CD2-SD 4.45Å; L252-P256 WeakPolarHBondContact O-CD 3.39Å; L252-L265 WeakPolarHBondContact O-CD1 3.4Å; L252-L269 HydrophobicContact CB-CD1 3.84Å; L252-L269 HydrophobicContact CD1-CD1 3.67Å; L252-L269 HydrophobicContact CD1-CD2 4.28Å; L252-L269 HydrophobicContact CG-CD1 4.41Å |
| 253 | T | 87.4 | Confident | 85.8 | Confident | 9 Ų | 9 | 47.1 Ų | 47.1 | 6% | 0.055 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -77.1 | -18.9 | 175.7 | 55.6 | 0 | 0 | 0 | 0 | 113.6 | Y212 M249 A250 L251 S262 L265 F266 | Y212-T253 HydrophobicContact CE2-CG2 4.05Å; Y212-T253 WeakPolarHBondContact CE2-OG1 3.14Å; Y212-T253 PolarHBondContact OH-OG1 2.77Å; M249-T253 HydrophobicContact CG-CG2 4.39Å; M249-T253 WeakPolarHBondContact O-CG2 3.11Å; M249-T253 PolarHBondContact O-N 3.26Å; M249-T253 PolarHBondContact O-OG1 3.04Å; A250-T253 WeakPolarHBondContact CA-OG1 3.35Å; A250-T253 PolarHBondContact O-N 3.12Å; A250-T253 PolarHBondContact O-OG1 3.49Å; L251-T253 VanDerWaalsContact C-N 3.29Å; L251-T253 PolarHBondContact O-N 2.86Å; T253-S262 WeakPolarHBondContact O-CB 3.44Å; T253-S262 PolarHBondContact O-OG 3.28Å; T253-L265 HydrophobicContact CG2-CB 4.46Å; T253-F266 HydrophobicContact CG2-CB 4Å |
| 254 | A | 87.2 | Confident | 84.7 | Confident | 69 Ų | 69 | 46 Ų | 46 | 57% | 0.57 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -87.5 | -16.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A250 L251 L252 | A250-A254 WeakPolarHBondContact O-CB 3.31Å; A250-A254 PolarHBondContact O-N 3.34Å; L251-A254 PolarHBondContact O-N 2.9Å; L252-A254 VanDerWaalsContact C-N 3.34Å |
| 255 | M | 85.8 | Confident | 84 | Confident | 147 Ų | 147 | 48.9 Ų | 48.9 | 72% | 0.724 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -65.5 | -43.4 | 178.6 | -70.9 | 179.6 | -175.3 | 0 | 0 | 114.1 | L251 L252 | L251-M255 WeakPolarHBondContact O-CG 3.26Å; L251-M255 PolarHBondContact O-N 3.28Å; L251-M255 VanDerWaalsContact O-N 3.16Å; L252-M255 HydrophobicContact CD2-SD 4.45Å |
| 256 | P | 83 | Confident | 83.4 | Confident | 28 Ų | 28 | 49.1 Ų | 49.1 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -71 | 139.3 | 177.5 | -14.6 | 29.5 | 0 | 0 | 0 | 111.3 | L252 S258 I261 L265 | L252-P256 WeakPolarHBondContact O-CD 3.39Å; P256-S258 PolarHBondContact O-N 3.49Å; P256-I261 HydrophobicContact CB-CB 3.86Å; P256-I261 HydrophobicContact CB-CG2 3.73Å; P256-I261 HydrophobicContact CG-CB 4.34Å; P256-I261 HydrophobicContact CG-CG2 3.79Å; P256-L265 HydrophobicContact CG-CD1 3.5Å |
| 257 | S | 75.3 | Confident | 82.4 | Confident | 127 Ų | 127 | 49.1 Ų | 49.1 | 89% | 0.888 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -72 | -16.1 | 172.4 | 54.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 258 | S | 75.6 | Confident | 81.6 | Confident | 43 Ų | 43 | 51 Ų | 51 | 30% | 0.301 | 29% | 0.285 | S | S | . | . | trans | -101.6 | 117 | -178.7 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | P256 I260 I261 S262 | P256-S258 PolarHBondContact O-N 3.49Å; S258-I260 PolarHBondContact O-N 2.95Å; S258-I261 PolarHBondContact O-N 2.91Å; S258-S262 PolarHBondContact O-N 3.01Å; S258-S262 PolarHBondContact O-OG 3.46Å | ||
| 259 | Y | 71.8 | Confident | 80.9 | Confident | 192 Ų | 192 | 51.1 Ų | 51.1 | 75% | 0.753 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -50.6 | -29.1 | 173.3 | -69.6 | -73.7 | 0 | 0 | 0 | 113.5 | S262 G263 | Y259-S262 WeakPolarHBondContact O-CB 3.33Å; Y259-G263 PolarHBondContact O-N 3.44Å |
| 260 | I | 68.2 | Low | 80.4 | Confident | 20 Ų | 20 | 51.1 Ų | 51.1 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.4 | -45.4 | 179.2 | -73.3 | -179.4 | 0 | 0 | 0 | 111.3 | L86 Y90 S258 S262 G263 C264 | L86-I260 HydrophobicContact CB-CG2 4.48Å; L86-I260 HydrophobicContact CD1-CG2 3.12Å; L86-I260 HydrophobicContact CD2-CB 4.48Å; L86-I260 HydrophobicContact CD2-CD1 4.3Å; L86-I260 HydrophobicContact CD2-CG2 3.19Å; L86-I260 HydrophobicContact CG-CG2 3.67Å; Y90-I260 HydrophobicContact CE2-CD1 3.61Å; Y90-I260 WeakPolarHBondContact OH-CD1 3.27Å; S258-I260 PolarHBondContact O-N 2.95Å; I260-S262 VanDerWaalsContact C-N 3.31Å; I260-G263 PolarHBondContact O-N 2.93Å; I260-C264 PolarHBondContact O-N 3.31Å; I260-C264 PolarHBondContact O-SG 3.16Å |
| 261 | I | 75.3 | Confident | 79.6 | Confident | 89 Ų | 89 | 51.2 Ų | 51.2 | 46% | 0.456 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 175.1 | -60.7 | 176.1 | 0 | 0 | 0 | 109.4 | P256 S258 G263 C264 L265 | P256-I261 HydrophobicContact CB-CB 3.86Å; P256-I261 HydrophobicContact CB-CG2 3.73Å; P256-I261 HydrophobicContact CG-CB 4.34Å; P256-I261 HydrophobicContact CG-CG2 3.79Å; S258-I261 PolarHBondContact O-N 2.91Å; I261-G263 VanDerWaalsContact C-N 3.3Å; I261-G263 PolarHBondContact O-N 3.44Å; I261-C264 WeakPolarHBondContact O-CB 3.39Å; I261-C264 PolarHBondContact O-N 3.44Å; I261-C264 VanDerWaalsContact O-N 3.15Å; I261-L265 PolarHBondContact O-N 3.43Å |
| 262 | S | 79.1 | Confident | 78.8 | Confident | 17 Ų | 17 | 49 Ų | 49 | 12% | 0.119 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.5 | -41.5 | 172 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | T253 S258 Y259 I260 L265 F266 | T253-S262 WeakPolarHBondContact O-CB 3.44Å; T253-S262 PolarHBondContact O-OG 3.28Å; S258-S262 PolarHBondContact O-N 3.01Å; S258-S262 PolarHBondContact O-OG 3.46Å; Y259-S262 WeakPolarHBondContact O-CB 3.33Å; I260-S262 VanDerWaalsContact C-N 3.31Å; S262-L265 PolarHBondContact O-N 3.08Å; S262-F266 WeakPolarHBondContact O-CB 3.43Å; S262-F266 PolarHBondContact O-N 3.07Å |
| 263 | G | 74.7 | Confident | 78.5 | Confident | 16 Ų | 16 | 45.9 Ų | 45.9 | 17% | 0.165 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.4 | -35.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y259 I260 I261 S267 | Y259-G263 PolarHBondContact O-N 3.44Å; I260-G263 PolarHBondContact O-N 2.93Å; I261-G263 VanDerWaalsContact C-N 3.3Å; I261-G263 PolarHBondContact O-N 3.44Å; G263-S267 WeakPolarHBondContact O-CB 3.49Å; G263-S267 PolarHBondContact O-N 3.05Å; G263-S267 PolarHBondContact O-OG 2.75Å |
| 264 | C | 73.2 | Confident | 78.1 | Confident | 9 Ų | 9 | 45.5 Ų | 45.5 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.3 | -48 | 173.3 | -63.5 | 0 | 0 | 0 | 0 | 111.4 | L86 I260 I261 F266 S267 I268 | L86-C264 WeakPolarHBondContact CD1-SG 3.38Å; I260-C264 PolarHBondContact O-N 3.31Å; I260-C264 PolarHBondContact O-SG 3.16Å; I261-C264 WeakPolarHBondContact O-CB 3.39Å; I261-C264 PolarHBondContact O-N 3.44Å; I261-C264 VanDerWaalsContact O-N 3.15Å; C264-F266 VanDerWaalsContact C-N 3.31Å; C264-F266 PolarHBondContact O-N 3.06Å; C264-S267 PolarHBondContact O-N 3.46Å; C264-S267 VanDerWaalsContact O-N 3.13Å; C264-I268 WeakPolarHBondContact O-CG1 3.37Å; C264-I268 PolarHBondContact O-N 3.19Å |
| 265 | L | 80.5 | Confident | 77.5 | Confident | 59 Ų | 59 | 42.4 Ų | 42.4 | 31% | 0.309 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.1 | -45 | 175.9 | -75.8 | 176.5 | 0 | 0 | 0 | 111.1 | L252 T253 P256 I261 S262 S267 I268 L269 | L252-L265 WeakPolarHBondContact O-CD1 3.4Å; T253-L265 HydrophobicContact CG2-CB 4.46Å; P256-L265 HydrophobicContact CG-CD1 3.5Å; I261-L265 PolarHBondContact O-N 3.43Å; S262-L265 PolarHBondContact O-N 3.08Å; L265-S267 VanDerWaalsContact C-N 3.34Å; L265-S267 PolarHBondContact O-N 3.22Å; L265-I268 PolarHBondContact O-N 3Å; L265-L269 WeakPolarHBondContact O-CB 3.45Å; L265-L269 VanDerWaalsContact O-CG 3.25Å; L265-L269 WeakPolarHBondContact O-CG 3.46Å; L265-L269 PolarHBondContact O-N 2.95Å |
| 266 | F | 82.4 | Confident | 77.4 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 2% | 0.022 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -53.8 | -51.8 | 172.7 | 174.8 | -88 | 0 | 0 | 0 | 110.7 | F135 Y212 Y215 M249 T253 S262 C264 I268 L269 F270 | F135-F266 AromaticContact CD2-CD1 3.65Å; F135-F266 HydrophobicContact CD2-CD1 3.65Å; F135-F266 AromaticContact CD2-CE1 3.6Å; F135-F266 HydrophobicContact CD2-CE1 3.6Å; F135-F266 AromaticContact CE2-CD1 3.28Å; F135-F266 HydrophobicContact CE2-CD1 3.28Å; F135-F266 AromaticContact CE2-CE1 2.98Å; F135-F266 HydrophobicContact CE2-CE1 2.98Å; F135-F266 HydrophobicContact CE2-CE2 4.33Å; F135-F266 HydrophobicContact CE2-CG 4.1Å; F135-F266 AromaticContact CE2-CZ 3.57Å; F135-F266 HydrophobicContact CE2-CZ 3.57Å; F135-F266 HydrophobicContact CZ-CD1 4.35Å; F135-F266 AromaticContact CZ-CE1 3.66Å; F135-F266 HydrophobicContact CZ-CE1 3.66Å; F135-F266 AromaticContact CZ-CZ 3.87Å; F135-F266 HydrophobicContact CZ-CZ 3.87Å; Y212-F266 HydrophobicContact CD1-CD2 4.13Å; Y212-F266 AromaticContact CD1-CE2 3.73Å; Y212-F266 HydrophobicContact CD1-CE2 3.73Å; Y212-F266 AromaticContact CE1-CD2 3.69Å; Y212-F266 HydrophobicContact CE1-CD2 3.69Å; Y212-F266 AromaticContact CE1-CE2 3.67Å; Y212-F266 HydrophobicContact CE1-CE2 3.67Å; Y212-F266 HydrophobicContact CE2-CD2 4.28Å; Y212-F266 HydrophobicContact CG-CE2 4.35Å; Y212-F266 AromaticContact CZ-CD2 3.77Å; Y215-F266 AromaticContact CD2-CE2 3.93Å; Y215-F266 HydrophobicContact CD2-CE2 3.93Å; Y215-F266 AromaticContact CD2-CZ 3.74Å; Y215-F266 HydrophobicContact CD2-CZ 3.74Å; Y215-F266 HydrophobicContact CE2-CE2 4.33Å; Y215-F266 HydrophobicContact CE2-CZ 4.16Å; M249-F266 HydrophobicContact SD-CD2 3.78Å; M249-F266 HydrophobicContact SD-CE2 3.85Å; T253-F266 HydrophobicContact CG2-CB 4Å; S262-F266 WeakPolarHBondContact O-CB 3.43Å; S262-F266 PolarHBondContact O-N 3.07Å; C264-F266 VanDerWaalsContact C-N 3.31Å; C264-F266 PolarHBondContact O-N 3.06Å; F266-I268 PolarHBondContact O-N 3.31Å; F266-L269 PolarHBondContact O-N 3.08Å; F266-F270 HydrophobicContact CD1-CB 4.26Å; F266-F270 HydrophobicContact CE1-CB 3.84Å; F266-F270 HydrophobicContact CE1-CD1 4.09Å; F266-F270 HydrophobicContact CE1-CD2 4.16Å; F266-F270 AromaticContact CE1-CG 3.77Å; F266-F270 HydrophobicContact CE1-CG 3.77Å; F266-F270 HydrophobicContact CE2-CB 4.29Å; F266-F270 AromaticContact CE2-CD2 3.89Å; F266-F270 HydrophobicContact CE2-CD2 3.89Å; F266-F270 HydrophobicContact CE2-CG 4.24Å; F266-F270 HydrophobicContact CZ-CB 3.88Å; F266-F270 HydrophobicContact CZ-CD1 4.13Å; F266-F270 AromaticContact CZ-CD2 3.44Å; F266-F270 HydrophobicContact CZ-CD2 3.44Å; F266-F270 VanDerWaalsContact CZ-CD2 3.44Å; F266-F270 AromaticContact CZ-CE2 3.93Å; F266-F270 HydrophobicContact CZ-CE2 3.93Å; F266-F270 AromaticContact CZ-CG 3.55Å; F266-F270 HydrophobicContact CZ-CG 3.55Å; F266-F270 HydrophobicContact CZ-CZ 4.41Å; F266-F270 WeakPolarHBondContact O-CA 3.49Å; F266-F270 WeakPolarHBondContact O-CB 3.28Å; F266-F270 PolarHBondContact O-N 3.05Å |
| 267 | S | 73.6 | Confident | 77.5 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.6 | -29 | -176.8 | -62 | 0 | 0 | 0 | 0 | 113.9 | G263 C264 L265 P271 | G263-S267 WeakPolarHBondContact O-CB 3.49Å; G263-S267 PolarHBondContact O-N 3.05Å; G263-S267 PolarHBondContact O-OG 2.75Å; C264-S267 PolarHBondContact O-N 3.46Å; C264-S267 VanDerWaalsContact O-N 3.13Å; L265-S267 VanDerWaalsContact C-N 3.34Å; L265-S267 PolarHBondContact O-N 3.22Å; S267-P271 VanDerWaalsContact O-CD 3.24Å; S267-P271 WeakPolarHBondContact O-CD 3.36Å |
| 268 | I | 77.3 | Confident | 77.7 | Confident | 63 Ų | 63 | 30.5 Ų | 30.5 | 32% | 0.323 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -78.4 | -45.3 | 175.9 | -66.3 | 165.6 | 0 | 0 | 0 | 111.1 | C75 C264 L265 F266 | C75-I268 HydrophobicContact CB-CG2 4.49Å; C75-I268 PolarHBondContact SG-O 3.12Å; C264-I268 WeakPolarHBondContact O-CG1 3.37Å; C264-I268 PolarHBondContact O-N 3.19Å; L265-I268 PolarHBondContact O-N 3Å; F266-I268 PolarHBondContact O-N 3.31Å |
| 269 | L | 82.2 | Confident | 77.8 | Confident | 28 Ų | 28 | 32 Ų | 32 | 15% | 0.147 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -76.3 | -31.1 | -175.9 | -66.5 | 172.4 | 0 | 0 | 0 | 112.3 | M249 L252 L265 F266 L272 F273 | M249-L269 HydrophobicContact CE-CB 4.15Å; M249-L269 HydrophobicContact CG-CB 4.32Å; M249-L269 HydrophobicContact CG-CD1 4.3Å; L252-L269 HydrophobicContact CB-CD1 3.84Å; L252-L269 HydrophobicContact CD1-CD1 3.67Å; L252-L269 HydrophobicContact CD1-CD2 4.28Å; L252-L269 HydrophobicContact CG-CD1 4.41Å; L265-L269 WeakPolarHBondContact O-CB 3.45Å; L265-L269 VanDerWaalsContact O-CG 3.25Å; L265-L269 WeakPolarHBondContact O-CG 3.46Å; L265-L269 PolarHBondContact O-N 2.95Å; F266-L269 PolarHBondContact O-N 3.08Å; L269-L272 WeakPolarHBondContact O-CB 3.46Å; L269-L272 PolarHBondContact O-N 3.21Å; L269-L272 VanDerWaalsContact O-N 3.09Å; L269-F273 HydrophobicContact CB-CD2 4.41Å; L269-F273 HydrophobicContact CB-CE2 4.41Å; L269-F273 WeakPolarHBondContact O-CD2 3.27Å; L269-F273 PolarHBondContact O-N 3.3Å; L269-F273 VanDerWaalsContact O-N 3.09Å |
| 270 | F | 79.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.3 | -48.6 | -171.3 | -179.2 | -117.8 | 0 | 0 | 0 | 114.1 | K139 Y215 Y219 M249 F266 L272 F273 I274 | K139-F270 HydrophobicContact CG-CE1 3.82Å; K139-F270 HydrophobicContact CG-CZ 4.25Å; Y215-F270 VanDerWaalsContact CB-CE2 3.45Å; Y215-F270 HydrophobicContact CD2-CE2 4.44Å; Y215-F270 HydrophobicContact CG-CE2 4.42Å; Y219-F270 HydrophobicContact CE2-CE1 4.24Å; Y219-F270 AromaticContact CE2-CZ 3.8Å; Y219-F270 HydrophobicContact CE2-CZ 3.8Å; M249-F270 HydrophobicContact CE-CD2 4.47Å; F266-F270 HydrophobicContact CD1-CB 4.26Å; F266-F270 HydrophobicContact CE1-CB 3.84Å; F266-F270 HydrophobicContact CE1-CD1 4.09Å; F266-F270 HydrophobicContact CE1-CD2 4.16Å; F266-F270 AromaticContact CE1-CG 3.77Å; F266-F270 HydrophobicContact CE1-CG 3.77Å; F266-F270 HydrophobicContact CE2-CB 4.29Å; F266-F270 AromaticContact CE2-CD2 3.89Å; F266-F270 HydrophobicContact CE2-CD2 3.89Å; F266-F270 HydrophobicContact CE2-CG 4.24Å; F266-F270 HydrophobicContact CZ-CB 3.88Å; F266-F270 HydrophobicContact CZ-CD1 4.13Å; F266-F270 AromaticContact CZ-CD2 3.44Å; F266-F270 HydrophobicContact CZ-CD2 3.44Å; F266-F270 VanDerWaalsContact CZ-CD2 3.44Å; F266-F270 AromaticContact CZ-CE2 3.93Å; F266-F270 HydrophobicContact CZ-CE2 3.93Å; F266-F270 AromaticContact CZ-CG 3.55Å; F266-F270 HydrophobicContact CZ-CG 3.55Å; F266-F270 HydrophobicContact CZ-CZ 4.41Å; F266-F270 WeakPolarHBondContact O-CA 3.49Å; F266-F270 WeakPolarHBondContact O-CB 3.28Å; F266-F270 PolarHBondContact O-N 3.05Å; F270-L272 VanDerWaalsContact C-N 3.26Å; F270-L272 PolarHBondContact O-N 3.23Å; F270-F273 PolarHBondContact O-N 3.31Å; F270-I274 HydrophobicContact CD1-CD1 3.85Å; F270-I274 HydrophobicContact CD2-CD1 4.41Å; F270-I274 HydrophobicContact CD2-CG1 4.46Å; F270-I274 HydrophobicContact CE1-CD1 3.5Å; F270-I274 VanDerWaalsContact CE1-CD1 3.5Å; F270-I274 HydrophobicContact CE1-CG1 4.4Å; F270-I274 HydrophobicContact CE2-CD1 4.08Å; F270-I274 HydrophobicContact CE2-CG1 4.1Å; F270-I274 HydrophobicContact CG-CD1 4.3Å; F270-I274 HydrophobicContact CZ-CD1 3.66Å; F270-I274 HydrophobicContact CZ-CG1 4.11Å; F270-I274 WeakPolarHBondContact O-CG1 3.41Å; F270-I274 PolarHBondContact O-N 3.12Å |
| 271 | P | 74.3 | Confident | 78.9 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.013 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.8 | -37.3 | 174.3 | -23.1 | 32 | 0 | 0 | 0 | 113.6 | S267 I274 I275 | S267-P271 VanDerWaalsContact O-CD 3.24Å; S267-P271 WeakPolarHBondContact O-CD 3.36Å; P271-I274 PolarHBondContact O-N 3.47Å; P271-I275 WeakPolarHBondContact O-CG1 3.45Å; P271-I275 PolarHBondContact O-N 2.83Å |
| 272 | L | 78.1 | Confident | 78.6 | Confident | 34 Ų | 34 | 28.7 Ų | 28.7 | 18% | 0.178 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.4 | -43.4 | -179.5 | -59.2 | 176.2 | 0 | 0 | 0 | 111.3 | I23 I26 I71 L269 F270 I275 S276 | I23-L272 HydrophobicContact CD1-CB 4.08Å; I23-L272 HydrophobicContact CG1-CB 4.14Å; I26-L272 HydrophobicContact CD1-CD2 3.88Å; I71-L272 HydrophobicContact CG2-CD2 3.98Å; L269-L272 WeakPolarHBondContact O-CB 3.46Å; L269-L272 PolarHBondContact O-N 3.21Å; L269-L272 VanDerWaalsContact O-N 3.09Å; F270-L272 VanDerWaalsContact C-N 3.26Å; F270-L272 PolarHBondContact O-N 3.23Å; L272-I275 PolarHBondContact O-N 2.95Å; L272-S276 PolarHBondContact O-N 3.11Å; L272-S276 VanDerWaalsContact O-N 3.1Å; L272-S276 PolarHBondContact O-OG 3.14Å |
| 273 | F | 84.9 | Confident | 78.4 | Confident | 6 Ų | 6 | 29.1 Ų | 29.1 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -72.7 | -26.7 | 178.6 | -81.9 | -116.5 | 0 | 0 | 0 | 113 | I23 C216 F245 P248 M249 L269 F270 I275 S276 A277 | I23-F273 HydrophobicContact CD1-CD2 4.47Å; I23-F273 HydrophobicContact CD1-CE2 4.28Å; C216-F273 HydrophobicContact CB-CB 4.5Å; C216-F273 VanDerWaalsContact SG-CB 3.52Å; F245-F273 HydrophobicContact CE1-CD1 4.05Å; F245-F273 HydrophobicContact CZ-CD1 4.41Å; P248-F273 HydrophobicContact CB-CE1 4.46Å; P248-F273 HydrophobicContact CB-CZ 4.12Å; M249-F273 HydrophobicContact CB-CD1 4.25Å; M249-F273 HydrophobicContact CB-CE1 3.8Å; M249-F273 HydrophobicContact CB-CE2 4.23Å; M249-F273 HydrophobicContact CB-CZ 3.79Å; M249-F273 HydrophobicContact CE-CB 3.35Å; M249-F273 HydrophobicContact CE-CD1 3.72Å; M249-F273 HydrophobicContact CE-CD2 3.41Å; M249-F273 VanDerWaalsContact CE-CD2 3.41Å; M249-F273 HydrophobicContact CE-CE1 4.32Å; M249-F273 HydrophobicContact CE-CE2 4.06Å; M249-F273 HydrophobicContact CE-CG 3.21Å; M249-F273 HydrophobicContact CE-CZ 4.47Å; L269-F273 HydrophobicContact CB-CD2 4.41Å; L269-F273 HydrophobicContact CB-CE2 4.41Å; L269-F273 WeakPolarHBondContact O-CD2 3.27Å; L269-F273 PolarHBondContact O-N 3.3Å; L269-F273 VanDerWaalsContact O-N 3.09Å; F270-F273 PolarHBondContact O-N 3.31Å; F273-I275 VanDerWaalsContact C-N 3.31Å; F273-S276 PolarHBondContact O-N 3.43Å; F273-A277 WeakPolarHBondContact O-CB 3.12Å; F273-A277 PolarHBondContact O-N 3.45Å |
| 274 | I | 78.9 | Confident | 78 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.1 | -44.3 | 169.5 | -71.1 | 163.2 | 0 | 0 | 0 | 110.4 | N142 F146 Y219 F270 P271 S276 A277 N278 | N142-I274 HydrophobicContact CB-CD1 4.36Å; F146-I274 HydrophobicContact CD2-CG2 4.04Å; F146-I274 HydrophobicContact CE2-CB 4.29Å; F146-I274 HydrophobicContact CE2-CD1 4.34Å; F146-I274 HydrophobicContact CE2-CG2 3.7Å; F146-I274 HydrophobicContact CZ-CG2 4.06Å; Y219-I274 HydrophobicContact CD2-CD1 3.9Å; Y219-I274 HydrophobicContact CD2-CG1 3.85Å; Y219-I274 HydrophobicContact CD2-CG2 4.15Å; Y219-I274 HydrophobicContact CE2-CD1 3.51Å; Y219-I274 HydrophobicContact CE2-CG1 3.92Å; Y219-I274 HydrophobicContact CG-CG2 4.15Å; F270-I274 HydrophobicContact CD1-CD1 3.85Å; F270-I274 HydrophobicContact CD2-CD1 4.41Å; F270-I274 HydrophobicContact CD2-CG1 4.46Å; F270-I274 HydrophobicContact CE1-CD1 3.5Å; F270-I274 VanDerWaalsContact CE1-CD1 3.5Å; F270-I274 HydrophobicContact CE1-CG1 4.4Å; F270-I274 HydrophobicContact CE2-CD1 4.08Å; F270-I274 HydrophobicContact CE2-CG1 4.1Å; F270-I274 HydrophobicContact CG-CD1 4.3Å; F270-I274 HydrophobicContact CZ-CD1 3.66Å; F270-I274 HydrophobicContact CZ-CG1 4.11Å; F270-I274 WeakPolarHBondContact O-CG1 3.41Å; F270-I274 PolarHBondContact O-N 3.12Å; P271-I274 PolarHBondContact O-N 3.47Å; I274-S276 VanDerWaalsContact C-N 3.34Å; I274-A277 PolarHBondContact O-N 3.38Å; I274-N278 PolarHBondContact O-N 2.87Å; I274-N278 PolarHBondContact O-ND2 2.98Å |
| 275 | I | 75.1 | Confident | 77.9 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.3 | -45 | 177.3 | -61.6 | 161.8 | 0 | 0 | 0 | 109.9 | I26 L29 I71 F146 P271 L272 F273 A277 N278 E279 | I26-I275 HydrophobicContact CD1-CD1 4.17Å; I26-I275 HydrophobicContact CG1-CD1 4.25Å; I26-I275 HydrophobicContact CG1-CG2 4.14Å; L29-I275 HydrophobicContact CD2-CG2 3.93Å; I71-I275 HydrophobicContact CD1-CD1 3.3Å; I71-I275 HydrophobicContact CG1-CD1 4.06Å; I71-I275 HydrophobicContact CG2-CD1 4.33Å; F146-I275 HydrophobicContact CE1-CG1 3.97Å; F146-I275 HydrophobicContact CZ-CD1 4.4Å; F146-I275 HydrophobicContact CZ-CG1 3.89Å; P271-I275 WeakPolarHBondContact O-CG1 3.45Å; P271-I275 PolarHBondContact O-N 2.83Å; L272-I275 PolarHBondContact O-N 2.95Å; F273-I275 VanDerWaalsContact C-N 3.31Å; I275-A277 VanDerWaalsContact C-N 3.31Å; I275-A277 PolarHBondContact O-N 3.38Å; I275-N278 PolarHBondContact O-N 3.33Å; I275-N278 VanDerWaalsContact O-N 3.17Å; I275-E279 PolarHBondContact O-N 3Å |
| 276 | S | 83.6 | Confident | 77.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.7 | -41.1 | 175.3 | -60.6 | 0 | 0 | 0 | 0 | 112.9 | S19 G22 I23 L272 F273 I274 N278 E279 A280 | S19-S276 WeakPolarHBondContact O-CB 3.3Å; S19-S276 PolarHBondContact O-OG 2.86Å; G22-S276 VanDerWaalsContact CA-OG 3.31Å; G22-S276 WeakPolarHBondContact CA-OG 3.46Å; I23-S276 PolarHBondContact N-OG 2.87Å; L272-S276 PolarHBondContact O-N 3.11Å; L272-S276 VanDerWaalsContact O-N 3.1Å; L272-S276 PolarHBondContact O-OG 3.14Å; F273-S276 PolarHBondContact O-N 3.43Å; I274-S276 VanDerWaalsContact C-N 3.34Å; S276-N278 VanDerWaalsContact C-N 3.31Å; S276-N278 PolarHBondContact O-N 2.81Å; S276-E279 PolarHBondContact O-N 2.99Å; S276-A280 VanDerWaalsContact O-CB 3.23Å; S276-A280 WeakPolarHBondContact O-CB 3.46Å; S276-A280 PolarHBondContact O-N 3Å |
| 277 | A | 84.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66 | -34 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | C216 F217 R220 F245 F273 I274 I275 | C216-A277 HydrophobicContact CB-CB 3.83Å; F217-A277 HydrophobicContact CD1-CB 4.04Å; F217-A277 HydrophobicContact CD2-CB 3.88Å; F217-A277 HydrophobicContact CE1-CB 4.09Å; F217-A277 WeakPolarHBondContact CE1-O 3.31Å; F217-A277 HydrophobicContact CE2-CB 3.94Å; F217-A277 HydrophobicContact CG-CB 3.93Å; F217-A277 HydrophobicContact CZ-CB 4.03Å; R220-A277 WeakPolarHBondContact CD-O 3.15Å; R220-A277 PolarHBondContact NH1-O 3.4Å; F245-A277 HydrophobicContact CE1-CB 4.21Å; F245-A277 HydrophobicContact CE2-CB 4.42Å; F245-A277 HydrophobicContact CZ-CB 3.68Å; F273-A277 WeakPolarHBondContact O-CB 3.12Å; F273-A277 PolarHBondContact O-N 3.45Å; I274-A277 PolarHBondContact O-N 3.38Å; I275-A277 VanDerWaalsContact C-N 3.31Å; I275-A277 PolarHBondContact O-N 3.38Å |
| 278 | N | 78.6 | Confident | 77.8 | Confident | 53 Ų | 53 | 53.1 Ų | 53.1 | 28% | 0.283 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70.7 | -41.1 | 175.9 | -79.7 | -51.6 | 0 | 0 | 0 | 112.5 | R220 I274 I275 S276 | R220-N278 WeakPolarHBondContact CB-OD1 3.25Å; I274-N278 PolarHBondContact O-N 2.87Å; I274-N278 PolarHBondContact O-ND2 2.98Å; I275-N278 PolarHBondContact O-N 3.33Å; I275-N278 VanDerWaalsContact O-N 3.17Å; S276-N278 VanDerWaalsContact C-N 3.31Å; S276-N278 PolarHBondContact O-N 2.81Å |
| 279 | E | 78.5 | Confident | 78.2 | Confident | 73 Ų | 73 | 55.3 Ų | 55.3 | 34% | 0.341 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -79.3 | -19.4 | 177.1 | -72.9 | -68.8 | 117.9 | 0 | 0 | 113.4 | R32 I275 S276 | R32-E279 IonicContact NH1-OE2 3.31Å; R32-E279 PolarHBondContact NH1-OE2 3.47Å; I275-E279 PolarHBondContact O-N 3Å; S276-E279 PolarHBondContact O-N 2.99Å |
| 280 | A | 83.8 | Confident | 78.4 | Confident | 6 Ų | 6 | 57 Ų | 57 | 5% | 0.05 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -60.4 | 150.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D18 F217 R220 Y241 S276 | D18-A280 HydrophobicContact CB-CB 4.12Å; F217-A280 HydrophobicContact CE1-CB 4.33Å; F217-A280 HydrophobicContact CZ-CB 4.13Å; R220-A280 PolarHBondContact NH1-O 3.3Å; R220-A280 PolarHBondContact NH2-O 3.05Å; R220-A280 VanDerWaalsContact NH2-O 3.15Å; Y241-A280 WeakPolarHBondContact OH-CB 3.49Å; S276-A280 VanDerWaalsContact O-CB 3.23Å; S276-A280 WeakPolarHBondContact O-CB 3.46Å; S276-A280 PolarHBondContact O-N 3Å |
| 281 | K | 77.8 | Confident | 78.8 | Confident | 176 Ų | 176 | 58.5 Ų | 58.5 | 77% | 0.765 | 29% | 0.288 | S | S | * | . | trans | -92 | 113 | 171 | -68.7 | -178.8 | -178.8 | -179.9 | 0 | 108.1 | ||||
| 282 | T | 70.6 | Confident | 79.5 | Confident | 50 Ų | 50 | 66.5 Ų | 66.5 | 31% | 0.307 | 32% | 0.318 | S | S | . | . | trans | -57.1 | 136.1 | 177.7 | 43.4 | 0 | 0 | 0 | 0 | 110.2 | T284 | T282-T284 PolarHBondContact O-N 3.49Š| ||
| 283 | P | 75.2 | Confident | 79.9 | Confident | 26 Ų | 26 | 66.4 Ų | 66.4 | 17% | 0.169 | 32% | 0.317 | C | S | . | . | trans | -61.3 | 122.6 | 178 | 22.8 | -31.4 | 0 | 0 | 0 | 110.1 | N238 Y241 | N238-P283 HydrophobicContact CB-CG 3.85Å; Y241-P283 HydrophobicContact CD1-CG 3.73Å; Y241-P283 HydrophobicContact CD2-CG 4.44Å; Y241-P283 HydrophobicContact CE1-CG 4.29Å; Y241-P283 HydrophobicContact CG-CB 4.45Å; Y241-P283 HydrophobicContact CG-CG 3.82Å | ||
| 284 | T | 65.3 | Low | 80.1 | Confident | 135 Ų | 135 | 66.4 Ų | 66.4 | 83% | 0.828 | 32% | 0.317 | S | S | * | . | trans | -87.4 | -22 | 179.6 | 44.7 | 0 | 0 | 0 | 0 | 113 | T282 | T282-T284 PolarHBondContact O-N 3.49Š| ||
| 285 | K | 71.1 | Confident | 80.5 | Confident | 176 Ų | 176 | 68.7 Ų | 68.7 | 77% | 0.765 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -96.4 | 123.4 | 177.7 | -69.2 | -174.3 | 178.3 | -177.6 | 0 | 110 | N238 | N238-K285 PolarHBondContact OD1-O 3.09Š|
| 286 | L | 77.1 | Confident | 81.1 | Confident | 118 Ų | 118 | 73.2 Ų | 73.2 | 62% | 0.618 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 137.9 | 176 | -65.4 | 164.6 | 0 | 0 | 0 | 110.4 | R237 N238 | R237-L286 HydrophobicContact CB-CD2 3.89Å; R237-L286 HydrophobicContact CG-CD2 4.44Å; N238-L286 WeakPolarHBondContact OD1-CA 3.33Å |
| 287 | Y | 79.8 | Confident | 81.3 | Confident | 33 Ų | 33 | 73.3 Ų | 73.3 | 13% | 0.129 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 146.2 | 171.5 | -163.5 | -106.3 | 0 | 0 | 0 | 110.4 | S4 A7 R237 W239 P240 F289 | S4-Y287 PolarHBondContact O-OH 3.14Å; A7-Y287 HydrophobicContact CB-CE2 4.17Å; R237-Y287 VanDerWaalsContact O-CB 3.23Å; R237-Y287 WeakPolarHBondContact O-CB 3.47Å; R237-Y287 PolarHBondContact O-N 3.5Å; R237-Y287 VanDerWaalsContact O-N 3.13Å; W239-Y287 AromaticContact NE1-CD1 3.85Å; P240-Y287 HydrophobicContact CG-CD1 3.85Å; P240-Y287 HydrophobicContact CG-CD2 3.93Å; P240-Y287 HydrophobicContact CG-CE1 3.98Å; P240-Y287 HydrophobicContact CG-CE2 4.04Å; P240-Y287 HydrophobicContact CG-CG 3.84Å; Y287-F289 HydrophobicContact CD1-CB 4.18Å; Y287-F289 WeakPolarHBondContact CD1-O 3.19Å; Y287-F289 HydrophobicContact CE1-CB 4.1Å; Y287-F289 PolarHBondContact O-N 3.43Å |
| 288 | H | 78.2 | Confident | 81.4 | Confident | 132 Ų | 132 | 74.6 Ų | 74.6 | 61% | 0.611 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -66.9 | -21.5 | -172.1 | 76.8 | 76.2 | 0 | 0 | 0 | 113.7 | ||
| 289 | F | 84.5 | Confident | 81.9 | Confident | 109 Ų | 109 | 77.3 Ų | 77.3 | 48% | 0.478 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -121.5 | 123.7 | -176.6 | 177.9 | -98.2 | 0 | 0 | 0 | 110.8 | W239 Y287 L291 | W239-F289 AromaticContact NE1-CD1 3.93Å; W239-F289 PolarHBondContact NE1-O 2.71Å; Y287-F289 HydrophobicContact CD1-CB 4.18Å; Y287-F289 WeakPolarHBondContact CD1-O 3.19Å; Y287-F289 HydrophobicContact CE1-CB 4.1Å; Y287-F289 PolarHBondContact O-N 3.43Å; F289-L291 HydrophobicContact CE1-CB 4.47Å; F289-L291 HydrophobicContact CE1-CD1 4.27Å |
| 290 | Q | 87.3 | Confident | 82.3 | Confident | 64 Ų | 64 | 77.4 Ų | 77.4 | 30% | 0.299 | 38% | 0.381 | S | S | . | . | trans | -89.5 | 124.2 | 177.4 | -174.5 | -177 | 0 | 0 | 0 | 110.7 | E236 R237 R292 | E236-Q290 HydrophobicContact CB-CG 3.78Å; E236-Q290 WeakPolarHBondContact O-CA 3.41Å; E236-Q290 PolarHBondContact OE2-NE2 3.06Å; R237-Q290 HydrophobicContact CG-CG 4.36Å; Q290-R292 HydrophobicContact CG-CG 4.23Å | ||
| 291 | L | 87.4 | Confident | 82.3 | Confident | 31 Ų | 31 | 77.1 Ų | 77.1 | 16% | 0.162 | 38% | 0.379 | C | S | . | . | trans | -93.8 | 102.2 | 178.3 | -177 | 65.4 | 0 | 0 | 0 | 110.3 | L206 L210 E236 W239 F289 L293 | L206-L291 HydrophobicContact CD1-CD2 4.45Å; L206-L291 HydrophobicContact CD2-CD2 4.17Å; L210-L291 HydrophobicContact CD1-CD2 4.1Å; E236-L291 VanDerWaalsContact CB-O 3.31Å; E236-L291 WeakPolarHBondContact CB-O 3.45Å; E236-L291 WeakPolarHBondContact CG-O 3.28Å; E236-L291 PolarHBondContact O-N 2.76Å; W239-L291 HydrophobicContact CB-CB 4.04Å; W239-L291 HydrophobicContact CB-CD2 4.11Å; W239-L291 VanDerWaalsContact CD1-CB 3.44Å; W239-L291 HydrophobicContact CD2-CB 4.09Å; W239-L291 HydrophobicContact CD2-CD2 3.65Å; W239-L291 HydrophobicContact CE3-CD2 3.77Å; W239-L291 HydrophobicContact CG-CB 3.58Å; W239-L291 HydrophobicContact CG-CD2 3.8Å; W239-L291 HydrophobicContact CG-CG 4.36Å; W239-L291 HydrophobicContact CZ3-CD2 4.4Å; F289-L291 HydrophobicContact CE1-CB 4.47Å; F289-L291 HydrophobicContact CE1-CD1 4.27Å; L291-L293 HydrophobicContact CD1-CD1 4.24Å; L291-L293 HydrophobicContact CD1-CG 4.04Å; L291-L293 HydrophobicContact CD2-CD1 3.48Å; L291-L293 VanDerWaalsContact CD2-CD1 3.48Å; L291-L293 HydrophobicContact CD2-CG 4.08Å; L291-L293 HydrophobicContact CG-CB 4.48Å; L291-L293 HydrophobicContact CG-CD1 3.78Å; L291-L293 HydrophobicContact CG-CG 3.77Å; L291-L293 PolarHBondContact O-N 2.85Å | ||
| 292 | R | 89 | Confident | 82.8 | Confident | 170 Ų | 170 | 71.6 Ų | 71.6 | 64% | 0.642 | 36% | 0.358 | S | S | * | . | trans | -83.9 | 43.2 | -173.3 | -66.7 | -172.1 | -176.7 | 177.8 | 2.2 | 114.6 | E236 Q290 F294 S295 | E236-R292 WeakPolarHBondContact OE1-CA 3.22Å; Q290-R292 HydrophobicContact CG-CG 4.23Å; R292-F294 VanDerWaalsContact C-N 3.29Å; R292-F294 PolarHBondContact O-N 2.72Å; R292-S295 WeakPolarHBondContact O-CB 3.36Å; R292-S295 PolarHBondContact O-N 3.3Å; R292-S295 PolarHBondContact O-OG 3.2Å | ||
| 293 | L | 87 | Confident | 83.5 | Confident | 33 Ų | 33 | 77 Ų | 77 | 17% | 0.173 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -26.5 | -176.3 | -82.1 | 173.4 | 0 | 0 | 0 | 113.6 | F184 Q187 L206 L210 L291 | F184-L293 HydrophobicContact CE2-CB 4.05Å; F184-L293 HydrophobicContact CZ-CB 4.34Å; Q187-L293 PolarHBondContact NE2-O 2.88Å; L206-L293 HydrophobicContact CD2-CD1 4.06Å; L206-L293 HydrophobicContact CG-CD1 4.22Å; L210-L293 HydrophobicContact CD1-CD1 3.73Å; L291-L293 HydrophobicContact CD1-CD1 4.24Å; L291-L293 HydrophobicContact CD1-CG 4.04Å; L291-L293 HydrophobicContact CD2-CD1 3.48Å; L291-L293 VanDerWaalsContact CD2-CD1 3.48Å; L291-L293 HydrophobicContact CD2-CG 4.08Å; L291-L293 HydrophobicContact CG-CB 4.48Å; L291-L293 HydrophobicContact CG-CD1 3.78Å; L291-L293 HydrophobicContact CG-CG 3.77Å; L291-L293 PolarHBondContact O-N 2.85Å |
| 294 | F | 88.6 | Confident | 83.9 | Confident | 6 Ų | 6 | 79.9 Ų | 79.9 | 3% | 0.026 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -11.2 | -178.4 | -62.3 | -81.9 | 0 | 0 | 0 | 113.1 | F184 L210 L214 L232 I235 E236 R292 L296 V297 V298 | F184-F294 HydrophobicContact CD1-CD1 4.41Å; F184-F294 AromaticContact CD1-CE1 3.73Å; F184-F294 HydrophobicContact CD1-CE1 3.73Å; F184-F294 HydrophobicContact CD1-CZ 4.45Å; F184-F294 AromaticContact CD2-CD1 3.61Å; F184-F294 HydrophobicContact CD2-CD1 3.61Å; F184-F294 AromaticContact CD2-CE1 3.73Å; F184-F294 HydrophobicContact CD2-CE1 3.73Å; F184-F294 HydrophobicContact CD2-CG 4.47Å; F184-F294 HydrophobicContact CE1-CD1 4.48Å; F184-F294 AromaticContact CE1-CE1 3.65Å; F184-F294 HydrophobicContact CE1-CE1 3.65Å; F184-F294 AromaticContact CE1-CZ 3.95Å; F184-F294 HydrophobicContact CE1-CZ 3.95Å; F184-F294 AromaticContact CE2-CD1 3.73Å; F184-F294 HydrophobicContact CE2-CD1 3.73Å; F184-F294 AromaticContact CE2-CE1 3.7Å; F184-F294 HydrophobicContact CE2-CE1 3.7Å; F184-F294 HydrophobicContact CE2-CG 4.29Å; F184-F294 HydrophobicContact CE2-CZ 4.23Å; F184-F294 AromaticContact CG-CD1 3.97Å; F184-F294 HydrophobicContact CG-CD1 3.97Å; F184-F294 AromaticContact CG-CE1 3.74Å; F184-F294 HydrophobicContact CG-CE1 3.74Å; F184-F294 HydrophobicContact CZ-CD1 4.16Å; F184-F294 AromaticContact CZ-CE1 3.64Å; F184-F294 HydrophobicContact CZ-CE1 3.64Å; F184-F294 HydrophobicContact CZ-CE2 4.48Å; F184-F294 AromaticContact CZ-CZ 3.83Å; F184-F294 HydrophobicContact CZ-CZ 3.83Å; L210-F294 HydrophobicContact CB-CZ 4.35Å; L214-F294 HydrophobicContact CD2-CE1 4.21Å; L232-F294 HydrophobicContact CD2-CB 3.68Å; L232-F294 HydrophobicContact CD2-CD1 4.33Å; L232-F294 HydrophobicContact CD2-CG 4.08Å; L232-F294 HydrophobicContact CG-CB 4.14Å; L232-F294 HydrophobicContact CG-CD1 4.3Å; L232-F294 HydrophobicContact CG-CD2 4.45Å; L232-F294 HydrophobicContact CG-CG 4.05Å; I235-F294 HydrophobicContact CB-CE2 4.32Å; I235-F294 HydrophobicContact CG2-CE2 3.77Å; I235-F294 HydrophobicContact CG2-CZ 4.25Å; E236-F294 HydrophobicContact CG-CD2 3.77Å; E236-F294 HydrophobicContact CG-CE2 4.44Å; E236-F294 PolarHBondContact OE1-N 2.97Å; R292-F294 VanDerWaalsContact C-N 3.29Å; R292-F294 PolarHBondContact O-N 2.72Å; F294-L296 VanDerWaalsContact C-N 3.3Å; F294-L296 PolarHBondContact O-N 3.45Å; F294-V297 PolarHBondContact O-N 3.18Å; F294-V297 VanDerWaalsContact O-N 3.12Å; F294-V298 VanDerWaalsContact O-CG2 3.31Å; F294-V298 WeakPolarHBondContact O-CG2 3.5Å; F294-V298 PolarHBondContact O-N 3.16Å |
| 295 | S | 87.7 | Confident | 84.5 | Confident | 47 Ų | 47 | 77.2 Ų | 77.2 | 33% | 0.329 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.5 | -40.5 | -175 | -69.6 | 0 | 0 | 0 | 0 | 112.8 | R292 V298 L299 | R292-S295 WeakPolarHBondContact O-CB 3.36Å; R292-S295 PolarHBondContact O-N 3.3Å; R292-S295 PolarHBondContact O-OG 3.2Å; S295-V298 PolarHBondContact O-N 2.99Å; S295-L299 VanDerWaalsContact O-CG 3.24Å; S295-L299 WeakPolarHBondContact O-CG 3.24Å; S295-L299 PolarHBondContact O-N 3.45Å |
| 296 | L | 87.6 | Confident | 84.8 | Confident | 99 Ų | 99 | 75.8 Ų | 75.8 | 52% | 0.518 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 176.7 | 179.2 | 64.1 | 0 | 0 | 0 | 111.6 | F294 V298 L299 I300 | F294-L296 VanDerWaalsContact C-N 3.3Å; F294-L296 PolarHBondContact O-N 3.45Å; L296-V298 PolarHBondContact O-N 2.99Å; L296-L299 WeakPolarHBondContact O-CB 3.49Å; L296-L299 PolarHBondContact O-N 2.93Å; L296-I300 HydrophobicContact CD1-CD1 4.18Å; L296-I300 HydrophobicContact CG-CD1 4.08Å; L296-I300 WeakPolarHBondContact O-CG1 3.45Å; L296-I300 PolarHBondContact O-N 2.91Å |
| 297 | V | 87.8 | Confident | 84.7 | Confident | 2 Ų | 2 | 78 Ų | 78 | 1% | 0.012 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.9 | -38.1 | -177.9 | 179.5 | 0 | 0 | 0 | 0 | 111.6 | L180 L183 F184 F294 I300 S301 | L180-V297 HydrophobicContact CB-CG1 4.32Å; L180-V297 HydrophobicContact CD2-CB 4.3Å; L180-V297 HydrophobicContact CD2-CG1 3.52Å; L180-V297 WeakPolarHBondContact O-CG1 3.49Å; L183-V297 HydrophobicContact CB-CB 4.33Å; L183-V297 HydrophobicContact CB-CG1 3.34Å; L183-V297 HydrophobicContact CB-CG2 4.35Å; L183-V297 HydrophobicContact CD1-CG1 4.19Å; L183-V297 HydrophobicContact CG-CG1 4.42Å; F184-V297 HydrophobicContact CB-CG1 4.37Å; F184-V297 HydrophobicContact CB-CG2 4.09Å; F184-V297 HydrophobicContact CD2-CG2 3.93Å; F294-V297 PolarHBondContact O-N 3.18Å; F294-V297 VanDerWaalsContact O-N 3.12Å; V297-I300 PolarHBondContact O-N 2.94Å; V297-S301 WeakPolarHBondContact O-CB 3.25Å; V297-S301 PolarHBondContact O-N 3.39Å; V297-S301 PolarHBondContact O-OG 3.08Å |
| 298 | V | 87.3 | Confident | 84.3 | Confident | 27 Ų | 27 | 80.1 Ų | 80.1 | 16% | 0.164 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.1 | -45 | 173.8 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | L180 L232 F294 S295 L296 I300 S301 N302 | L180-V298 HydrophobicContact CD2-CB 4.47Å; L180-V298 HydrophobicContact CD2-CG2 3.91Å; L232-V298 HydrophobicContact CD2-CG2 3.39Å; F294-V298 VanDerWaalsContact O-CG2 3.31Å; F294-V298 WeakPolarHBondContact O-CG2 3.5Å; F294-V298 PolarHBondContact O-N 3.16Å; S295-V298 PolarHBondContact O-N 2.99Å; L296-V298 PolarHBondContact O-N 2.99Å; V298-I300 PolarHBondContact O-N 3.4Å; V298-S301 PolarHBondContact O-N 3.04Å; V298-N302 WeakPolarHBondContact O-CB 3.37Å; V298-N302 VanDerWaalsContact O-CG 3.24Å; V298-N302 PolarHBondContact O-N 3.13Å; V298-N302 PolarHBondContact O-ND2 3.32Å |
| 299 | L | 87.9 | Confident | 84 | Confident | 110 Ų | 110 | 78.2 Ų | 78.2 | 58% | 0.576 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60.2 | -45.6 | 177 | -73.8 | 169 | 0 | 0 | 0 | 112 | S295 L296 K303 | S295-L299 VanDerWaalsContact O-CG 3.24Å; S295-L299 WeakPolarHBondContact O-CG 3.24Å; S295-L299 PolarHBondContact O-N 3.45Å; L296-L299 WeakPolarHBondContact O-CB 3.49Å; L296-L299 PolarHBondContact O-N 2.93Å; L299-K303 WeakPolarHBondContact O-CG 3.29Å; L299-K303 PolarHBondContact O-N 2.9Å; L299-K303 VanDerWaalsContact O-N 3.08Å |
| 300 | I | 86.9 | Confident | 83.2 | Confident | 75 Ų | 75 | 79.4 Ų | 79.4 | 39% | 0.385 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 178.4 | -66 | 168.1 | 0 | 0 | 0 | 110.5 | L183 L296 V297 V298 N302 K303 L304 | L183-I300 HydrophobicContact CD1-CB 4.21Å; L183-I300 HydrophobicContact CD1-CG2 3.75Å; L183-I300 HydrophobicContact CD2-CG2 4.15Å; L296-I300 HydrophobicContact CD1-CD1 4.18Å; L296-I300 HydrophobicContact CG-CD1 4.08Å; L296-I300 WeakPolarHBondContact O-CG1 3.45Å; L296-I300 PolarHBondContact O-N 2.91Å; V297-I300 PolarHBondContact O-N 2.94Å; V298-I300 PolarHBondContact O-N 3.4Å; I300-N302 PolarHBondContact O-N 3.41Å; I300-K303 PolarHBondContact O-N 3.19Å; I300-L304 PolarHBondContact O-N 3.47Å |
| 301 | S | 85.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.1 | -46 | -179.5 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | L180 L183 V297 V298 K303 L304 F305 | L180-S301 WeakPolarHBondContact CD2-OG 3.28Å; L183-S301 VanDerWaalsContact CD1-OG 3.26Å; L183-S301 WeakPolarHBondContact CD1-OG 3.47Å; V297-S301 WeakPolarHBondContact O-CB 3.25Å; V297-S301 PolarHBondContact O-N 3.39Å; V297-S301 PolarHBondContact O-OG 3.08Å; V298-S301 PolarHBondContact O-N 3.04Å; S301-K303 VanDerWaalsContact C-N 3.34Å; S301-K303 PolarHBondContact O-N 3.36Å; S301-L304 PolarHBondContact O-N 3.01Å; S301-F305 WeakPolarHBondContact O-CD2 3.21Å; S301-F305 PolarHBondContact O-N 2.83Å |
| 302 | N | 86.7 | Confident | 81.1 | Confident | 60 Ų | 60 | 86.5 Ų | 86.5 | 32% | 0.321 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 177.4 | -72 | -14.6 | 0 | 0 | 0 | 111.4 | V298 I300 L304 F305 H306 | V298-N302 WeakPolarHBondContact O-CB 3.37Å; V298-N302 VanDerWaalsContact O-CG 3.24Å; V298-N302 PolarHBondContact O-N 3.13Å; V298-N302 PolarHBondContact O-ND2 3.32Å; I300-N302 PolarHBondContact O-N 3.41Å; N302-L304 VanDerWaalsContact C-N 3.34Å; N302-L304 PolarHBondContact O-N 3.32Å; N302-F305 PolarHBondContact O-N 3.44Å; N302-H306 PolarHBondContact O-CD2 3.42Å; N302-H306 PolarHBondContact O-N 3.28Å |
| 303 | K | 86.1 | Confident | 79.9 | Confident | 165 Ų | 165 | 81.9 Ų | 81.9 | 72% | 0.717 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.9 | -42.2 | 175.1 | -79 | -171.2 | 176.9 | -168.3 | 0 | 112.3 | L299 I300 S301 K307 | L299-K303 WeakPolarHBondContact O-CG 3.29Å; L299-K303 PolarHBondContact O-N 2.9Å; L299-K303 VanDerWaalsContact O-N 3.08Å; I300-K303 PolarHBondContact O-N 3.19Å; S301-K303 VanDerWaalsContact C-N 3.34Å; S301-K303 PolarHBondContact O-N 3.36Å; K303-K307 WeakPolarHBondContact O-CB 3.4Å; K303-K307 PolarHBondContact O-N 3.07Å; K303-K307 VanDerWaalsContact O-N 3.16Å |
| 304 | L | 82.8 | Confident | 78.8 | Confident | 86 Ų | 86 | 84.1 Ų | 84.1 | 45% | 0.45 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66 | -45.5 | 179.8 | -165.7 | 69.1 | 0 | 0 | 0 | 111.2 | L179 I300 S301 N302 K307 T308 | L179-L304 HydrophobicContact CD1-CD2 3.99Å; L179-L304 HydrophobicContact CD2-CD2 3.89Å; I300-L304 PolarHBondContact O-N 3.47Å; S301-L304 PolarHBondContact O-N 3.01Å; N302-L304 VanDerWaalsContact C-N 3.34Å; N302-L304 PolarHBondContact O-N 3.32Å; L304-K307 PolarHBondContact O-N 2.92Å; L304-T308 PolarHBondContact O-N 3.4Å; L304-T308 PolarHBondContact O-OG1 2.93Å; L304-T308 VanDerWaalsContact O-OG1 3.06Å |
| 305 | F | 78 | Confident | 77.5 | Confident | 79 Ų | 79 | 90 Ų | 90 | 35% | 0.346 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 177.9 | -96 | -91.2 | 0 | 0 | 0 | 112.7 | F176 L179 S301 N302 K307 T308 V309 | F176-F305 HydrophobicContact CB-CE2 4.32Å; F176-F305 HydrophobicContact CB-CZ 4.13Å; F176-F305 AromaticContact CD2-CD2 3.89Å; F176-F305 HydrophobicContact CD2-CD2 3.89Å; F176-F305 AromaticContact CD2-CE2 3.54Å; F176-F305 HydrophobicContact CD2-CE2 3.54Å; F176-F305 HydrophobicContact CD2-CZ 4.04Å; F176-F305 HydrophobicContact CE2-CD2 4.33Å; F176-F305 HydrophobicContact CE2-CE2 4.39Å; F176-F305 HydrophobicContact CG-CE2 4.41Å; L179-F305 HydrophobicContact CD2-CD2 3.91Å; L179-F305 HydrophobicContact CD2-CE2 3.61Å; S301-F305 WeakPolarHBondContact O-CD2 3.21Å; S301-F305 PolarHBondContact O-N 2.83Å; N302-F305 PolarHBondContact O-N 3.44Å; F305-K307 VanDerWaalsContact C-N 3.28Å; F305-K307 PolarHBondContact O-N 3.17Å; F305-T308 PolarHBondContact O-N 3.44Å; F305-V309 WeakPolarHBondContact O-CG2 3.1Å; F305-V309 PolarHBondContact O-N 2.86Å |
| 306 | H | 77.9 | Confident | 75.4 | Confident | 145 Ų | 145 | 92.6 Ų | 92.6 | 67% | 0.671 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.1 | -38.4 | 177.1 | -86.2 | -71.9 | 0 | 0 | 0 | 112.5 | N302 H310 | N302-H306 PolarHBondContact O-CD2 3.42Å; N302-H306 PolarHBondContact O-N 3.28Å; H306-H310 WeakPolarHBondContact O-CB 3.45Å; H306-H310 PolarHBondContact O-N 2.83Å |
| 307 | K | 75.8 | Confident | 73.6 | Confident | 164 Ų | 164 | 93.5 Ų | 93.5 | 71% | 0.713 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.1 | -41.8 | 178 | -166.2 | 177.1 | -178.8 | -176.8 | 0 | 111.9 | K303 L304 F305 L311 | K303-K307 WeakPolarHBondContact O-CB 3.4Å; K303-K307 PolarHBondContact O-N 3.07Å; K303-K307 VanDerWaalsContact O-N 3.16Å; L304-K307 PolarHBondContact O-N 2.92Å; F305-K307 VanDerWaalsContact C-N 3.28Å; F305-K307 PolarHBondContact O-N 3.17Å; K307-L311 WeakPolarHBondContact O-CB 3.49Å; K307-L311 PolarHBondContact O-N 3.49Å |
| 308 | T | 71.4 | Confident | 71.5 | Confident | 79 Ų | 79 | 98.4 Ų | 98.4 | 49% | 0.485 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 177.5 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | L304 F305 L311 Q312 | L304-T308 PolarHBondContact O-N 3.4Å; L304-T308 PolarHBondContact O-OG1 2.93Å; L304-T308 VanDerWaalsContact O-OG1 3.06Å; F305-T308 PolarHBondContact O-N 3.44Å; T308-L311 PolarHBondContact O-N 3.41Å; T308-Q312 WeakPolarHBondContact O-CB 3.26Å; T308-Q312 PolarHBondContact O-N 3.05Å |
| 309 | V | 70.5 | Confident | 69.4 | Low | 91 Ų | 91 | 102.9 Ų | 102.9 | 55% | 0.552 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.2 | -42.8 | 178 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | F305 L311 Q312 S313 | F305-V309 WeakPolarHBondContact O-CG2 3.1Å; F305-V309 PolarHBondContact O-N 2.86Å; V309-L311 VanDerWaalsContact C-N 3.34Å; V309-L311 PolarHBondContact O-N 3.45Å; V309-Q312 PolarHBondContact O-N 3.31Å; V309-S313 PolarHBondContact O-N 3.33Å; V309-S313 PolarHBondContact O-OG 3.39Å |
| 310 | H | 68.5 | Low | 67 | Low | 135 Ų | 135 | 102.7 Ų | 102.7 | 63% | 0.625 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63 | -41.5 | 177.2 | -170.6 | -78.7 | 0 | 0 | 0 | 111.8 | H306 Q312 S313 S314 | H306-H310 WeakPolarHBondContact O-CB 3.45Å; H306-H310 PolarHBondContact O-N 2.83Å; H310-Q312 VanDerWaalsContact C-N 3.33Å; H310-Q312 PolarHBondContact O-N 3.41Å; H310-S313 WeakPolarHBondContact CA-OG 3.36Å; H310-S313 PolarHBondContact O-N 3.16Å; H310-S313 PolarHBondContact O-OG 3.4Å; H310-S314 PolarHBondContact O-N 3.35Å; H310-S314 VanDerWaalsContact O-N 3.12Å; H310-S314 PolarHBondContact O-OG 3.04Å |
| 311 | L | 67.5 | Low | 64.8 | Low | 107 Ų | 107 | 104.9 Ų | 104.9 | 56% | 0.56 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.3 | -40.1 | 177.3 | -159 | 73.8 | 0 | 0 | 0 | 111.7 | K307 T308 V309 S314 L315 | K307-L311 WeakPolarHBondContact O-CB 3.49Å; K307-L311 PolarHBondContact O-N 3.49Å; T308-L311 PolarHBondContact O-N 3.41Å; V309-L311 VanDerWaalsContact C-N 3.34Å; V309-L311 PolarHBondContact O-N 3.45Å; L311-S314 WeakPolarHBondContact CA-OG 3.32Å; L311-S314 PolarHBondContact O-N 2.6Å; L311-S314 PolarHBondContact O-OG 3.29Å; L311-L315 HydrophobicContact CG-CD1 4.16Å; L311-L315 WeakPolarHBondContact O-CD1 3.34Å; L311-L315 WeakPolarHBondContact O-CG 3.33Å; L311-L315 PolarHBondContact O-N 3.13Å |
| 312 | Q | 63 | Low | 62.5 | Low | 136 Ų | 136 | 113.9 Ų | 113.9 | 64% | 0.636 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.9 | -40.5 | 178.2 | -155.5 | 171.3 | -12.7 | 0 | 0 | 111.8 | T308 V309 H310 S314 L315 T316 | T308-Q312 WeakPolarHBondContact O-CB 3.26Å; T308-Q312 PolarHBondContact O-N 3.05Å; V309-Q312 PolarHBondContact O-N 3.31Å; H310-Q312 VanDerWaalsContact C-N 3.33Å; H310-Q312 PolarHBondContact O-N 3.41Å; Q312-S314 VanDerWaalsContact C-N 3.27Å; Q312-S314 PolarHBondContact O-N 2.98Å; Q312-L315 PolarHBondContact O-N 3.02Å; Q312-L315 VanDerWaalsContact O-N 3.16Å; Q312-T316 PolarHBondContact O-N 3.19Å; Q312-T316 PolarHBondContact O-OG1 2.98Å |
| 313 | S | 64.4 | Low | 60.5 | Low | 74 Ų | 74 | 120.9 Ų | 120.9 | 52% | 0.517 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -64 | -29.1 | 174.1 | 64.7 | 0 | 0 | 0 | 0 | 113.7 | V309 H310 | V309-S313 PolarHBondContact O-N 3.33Å; V309-S313 PolarHBondContact O-OG 3.39Å; H310-S313 WeakPolarHBondContact CA-OG 3.36Å; H310-S313 PolarHBondContact O-N 3.16Å; H310-S313 PolarHBondContact O-OG 3.4Å |
| 314 | S | 63.3 | Low | 58.1 | Low | 80 Ų | 80 | 121.2 Ų | 121.2 | 56% | 0.559 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -79.4 | -16.8 | 175.4 | 57.3 | 0 | 0 | 0 | 0 | 114.2 | H310 L311 Q312 | H310-S314 PolarHBondContact O-N 3.35Å; H310-S314 VanDerWaalsContact O-N 3.12Å; H310-S314 PolarHBondContact O-OG 3.04Å; L311-S314 WeakPolarHBondContact CA-OG 3.32Å; L311-S314 PolarHBondContact O-N 2.6Å; L311-S314 PolarHBondContact O-OG 3.29Å; Q312-S314 VanDerWaalsContact C-N 3.27Å; Q312-S314 PolarHBondContact O-N 2.98Å |
| 315 | L | 61.6 | Low | 55.6 | Low | 129 Ų | 129 | 121.5 Ų | 121.5 | 68% | 0.675 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -99.8 | -15.2 | -175.5 | -77.7 | 161.7 | 0 | 0 | 0 | 113.9 | L311 Q312 P317 | L311-L315 HydrophobicContact CG-CD1 4.16Å; L311-L315 WeakPolarHBondContact O-CD1 3.34Å; L311-L315 WeakPolarHBondContact O-CG 3.33Å; L311-L315 PolarHBondContact O-N 3.13Å; Q312-L315 PolarHBondContact O-N 3.02Å; Q312-L315 VanDerWaalsContact O-N 3.16Å; L315-P317 WeakPolarHBondContact O-CD 3.26Å |
| 316 | T | 43.8 | Very low | 53.8 | Low | 101 Ų | 101 | 123.1 Ų | 123.1 | 62% | 0.62 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -85.1 | 107.2 | 169.2 | 30 | 0 | 0 | 0 | 0 | 110.3 | Q312 S318 | Q312-T316 PolarHBondContact O-N 3.19Å; Q312-T316 PolarHBondContact O-OG1 2.98Å; T316-S318 PolarHBondContact O-N 3.48Å |
| 317 | P | 49 | Very low | 52.2 | Low | 118 Ų | 118 | 121.1 Ų | 121.1 | 77% | 0.766 | 70% | 0.701 | S | S | * | * | trans | -65.6 | 130 | 168.9 | 27 | -31 | 0 | 0 | 0 | 108.8 | L315 | L315-P317 WeakPolarHBondContact O-CD 3.26Š| ||
| 318 | S | 44 | Very low | 50.1 | Low | 105 Ų | 105 | 122.2 Ų | 122.2 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | trans | -57.9 | 134.8 | 169.4 | 41.4 | 0 | 0 | 0 | 0 | 109.4 | T316 S320 | T316-S318 PolarHBondContact O-N 3.48Å; S318-S320 PolarHBondContact O-N 3Å | ||
| 319 | P | 42.8 | Very low | 48.4 | Very low | 121 Ų | 121 | 124.5 Ų | 124.5 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | trans | -64.2 | 115.7 | 170.4 | 26.3 | -29.9 | 0 | 0 | 0 | 107.2 | S321 | P319-S321 PolarHBondContact O-N 2.88Å; P319-S321 VanDerWaalsContact O-N 3.16Å | ||
| 320 | S | 38.8 | Very low | 46.7 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | -54.8 | 115.9 | 171.7 | 46.6 | 0 | 0 | 0 | 0 | 109 | S318 E322 | S318-S320 PolarHBondContact O-N 3Å; S320-E322 PolarHBondContact O-N 3.38Å | ||
| 321 | S | 39.1 | Very low | 45.4 | Very low | 120 Ų | 120 | 124.4 Ų | 124.4 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | trans | -55.6 | 104.7 | 167.7 | -74.4 | 0 | 0 | 0 | 0 | 109.2 | P319 K323 | P319-S321 PolarHBondContact O-N 2.88Å; P319-S321 VanDerWaalsContact O-N 3.16Å; S321-K323 PolarHBondContact O-N 2.72Å; S321-K323 VanDerWaalsContact O-N 3.11Å | ||
| 322 | E | 36.9 | Very low | 43.8 | Very low | 189 Ų | 189 | 126.6 Ų | 126.6 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | trans | -58.4 | 111.6 | 161.8 | -87.5 | 179.7 | 125.5 | 0 | 0 | 108.4 | S320 L324 | S320-E322 PolarHBondContact O-N 3.38Å; E322-L324 PolarHBondContact O-N 3.41Å | ||
| 323 | K | 45.1 | Very low | 42.4 | Very low | 207 Ų | 207 | 132.2 Ų | 132.2 | 90% | 0.9 | 77% | 0.766 | S | S | * | * | trans | -64 | 109.8 | 160 | -94.8 | 178.1 | 171.2 | 177.6 | 0 | 107.8 | S321 | S321-K323 PolarHBondContact O-N 2.72Å; S321-K323 VanDerWaalsContact O-N 3.11Å | ||
| 324 | L | 35.6 | Very low | 41.1 | Very low | 172 Ų | 172 | 136.9 Ų | 136.9 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | trans | -147.5 | 133.7 | 152.9 | -151.8 | 74.8 | 0 | 0 | 0 | 112.2 | E322 | E322-L324 PolarHBondContact O-N 3.41Š| ||
| 325 | A | 31.6 | Very low | 39.7 | Very low | 93 Ų | 93 | 143.9 Ų | 143.9 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 108.5 | 92.8 | 158.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 326 | S | 38.4 | Very low | 38.5 | Very low | 112 Ų | 112 | 145.4 Ų | 145.4 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | -75.6 | 155.9 | 127.6 | 64.1 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 327 | P | 44.2 | Very low | 38.2 | Very low | 104 Ų | 104 | 148.6 Ų | 148.6 | 68% | 0.675 | 81% | 0.814 | S | S | * | * | -150.9 | 175.9 | 60.4 | 36.3 | -12.8 | 0 | 0 | 0 | 117.2 | |||||
| 328 | H | 33 | Very low | 37.6 | Very low | 187 Ų | 187 | 151.9 Ų | 151.9 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | 85.2 | 106.6 | 156.4 | -71.8 | -63.6 | 0 | 0 | 0 | 120.8 | ||||
| 329 | T | 36 | Very low | 37.3 | Very low | 126 Ų | 126 | 156.1 Ų | 156.1 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | trans | -87.2 | 146.4 | 160.8 | 32.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 330 | S | 33.1 | Very low | 37 | Very low | 114 Ų | 114 | 155.7 Ų | 155.7 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | 85.3 | 153.4 | 154.7 | -56.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 331 | P | 43.1 | Very low | 37 | Very low | 110 Ų | 110 | 162.9 Ų | 162.9 | 71% | 0.714 | 85% | 0.848 | S | S | * | * | cis | -137.9 | 165.1 | 13.2 | 37.7 | -17.7 | 0 | 0 | 0 | 118.2 | ||||
| 332 | N | 32.4 | Very low | 36.9 | Very low | 154 Ų | 154 | 165.1 Ų | 165.1 | 82% | 0.824 | 85% | 0.849 | S | S | * | * | trans | 49.7 | 118.6 | 144.5 | -78.8 | -19.3 | 0 | 0 | 0 | 122.1 | ||||
| 333 | R | 35 | Very low | 36.9 | Very low | 254 Ų | 254 | 163.8 Ų | 163.8 | 96% | 0.958 | 85% | 0.847 | S | S | * | * | -157 | 128.8 | 125.3 | -129.9 | 176 | -172.3 | -166.8 | 1.6 | 114.1 | |||||
| 334 | H | 35.2 | Very low | 36.4 | Very low | 172 Ų | 172 | 161.4 Ų | 161.4 | 80% | 0.796 | 84% | 0.844 | S | S | * | * | trans | -70.1 | 163.5 | 175.1 | -99.1 | -62.9 | 0 | 0 | 0 | 114.8 | ||||
| 335 | R | 35.6 | Very low | 36.4 | Very low | 226 Ų | 226 | 160.8 Ų | 160.8 | 85% | 0.853 | 84% | 0.841 | S | S | * | * | trans | 79.2 | 135 | 153.8 | -83.4 | 179.2 | -168.5 | -171.9 | 3.2 | 116 | ||||
| 336 | L | 35.4 | Very low | 36.8 | Very low | 161 Ų | 161 | 165 Ų | 165 | 84% | 0.843 | 85% | 0.845 | S | S | * | * | cis | -150.8 | 148.6 | 41.9 | -106 | 123.3 | 0 | 0 | 0 | 113.6 | ||||
| 337 | L | 37.4 | Very low | 36.6 | Very low | 169 Ų | 169 | 168.5 Ų | 168.5 | 89% | 0.885 | 85% | 0.85 | S | S | * | * | trans | -68.2 | 142.6 | 168.9 | -74.6 | 151.2 | 0 | 0 | 0 | 111.7 | ||||
| 338 | Q | 36.3 | Very low | 36.1 | Very low | 187 Ų | 187 | 173.1 Ų | 173.1 | 87% | 0.874 | 86% | 0.862 | S | S | * | * | trans | -75.4 | 132.9 | 165.2 | -75.6 | 173.4 | -38.4 | 0 | 0 | 110.5 | ||||
| 339 | H | 37.3 | Very low | 36.3 | Very low | 194 Ų | 194 | 172.1 Ų | 172.1 | 90% | 0.898 | 86% | 0.862 | S | S | * | * | trans | -159.6 | 141.3 | 149.2 | -115.9 | -22.1 | 0 | 0 | 0 | 112.3 | ||||
| 340 | S | 38.4 | Very low | 36.4 | Very low | 111 Ų | 111 | 175.9 Ų | 175.9 | 78% | 0.776 | 87% | 0.869 | S | S | * | * | trans | 74.9 | 128.9 | 164.8 | -132.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 341 | Q | 37.3 | Very low | 36.7 | Very low | 259 Ų | 259 | 181.5 Ų | 181.5 | 100% | 1.21 | 88% | 0.876 | S | S | * | * | cis | -140.2 | 0 | 23.3 | -76.9 | 178.6 | -21.6 | 0 | 0 | 111.7 |
Retrieved 341 of 341 residues in 266.5 ms
(Link to these results)