| 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 | 55.8 | Low | 83.7 | Confident | 137 Ų | 137 | 94.3 Ų | 94.3 | 68% | 0.675 | 47% | 0.472 | S | S | * | . | 0 | 120.9 | 0 | -172.3 | -179.6 | -76 | 0 | 0 | 108.1 | P227 V231 | M1-P227 HydrophobicContact SD-CG 3.95Å; M1-V231 HydrophobicContact CE-CG1 3.85Å | |||
| 2 | A | 64.1 | Low | 84.9 | Confident | 94 Ų | 94 | 86.5 Ų | 86.5 | 78% | 0.777 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -77.4 | 134 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | E4 | A2-E4 PolarHBondContact O-N 3.29Š|
| 3 | M | 75.6 | Confident | 85.9 | Confident | 12 Ų | 12 | 81.2 Ų | 81.2 | 6% | 0.059 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 130.3 | 175.2 | 173.4 | -172.7 | -89.9 | 0 | 0 | 109.4 | N5 F6 F9 R70 P72 W75 W224 | M3-N5 PolarHBondContact O-N 3.24Å; M3-F6 HydrophobicContact CB-CB 4.29Å; M3-F6 HydrophobicContact CB-CD2 4.31Å; M3-F6 WeakPolarHBondContact O-CB 3.31Å; M3-F6 PolarHBondContact O-N 3.46Å; M3-F6 HydrophobicContact SD-CD2 4.28Å; M3-F9 HydrophobicContact CE-CB 4.42Å; M3-F9 HydrophobicContact CE-CD1 4.1Å; M3-F9 HydrophobicContact CE-CD2 3.78Å; M3-F9 HydrophobicContact CE-CE1 4.35Å; M3-F9 HydrophobicContact CE-CE2 4.01Å; M3-F9 HydrophobicContact CE-CG 3.82Å; M3-F9 HydrophobicContact CE-CZ 4.29Å; M3-F9 HydrophobicContact SD-CB 3.39Å; M3-F9 WeakPolarHBondContact SD-CB 3.47Å; M3-F9 HydrophobicContact SD-CD1 3.78Å; M3-F9 HydrophobicContact SD-CD2 3.89Å; M3-F9 HydrophobicContact SD-CG 3.38Å; M3-F9 WeakPolarHBondContact SD-CG 3.25Å; M3-R70 VanDerWaalsContact CE-O 3.24Å; M3-R70 WeakPolarHBondContact CE-O 3.22Å; M3-P72 HydrophobicContact CB-CB 4.12Å; M3-P72 HydrophobicContact CE-CB 3.77Å; M3-P72 HydrophobicContact CE-CG 3.6Å; M3-P72 HydrophobicContact SD-CB 4.25Å; M3-P72 HydrophobicContact SD-CG 3.85Å; M3-W75 HydrophobicContact CB-CH2 3.7Å; M3-W75 HydrophobicContact CB-CZ3 3.97Å; M3-W75 HydrophobicContact CE-CH2 3.75Å; M3-W75 HydrophobicContact CE-CZ2 3.42Å; M3-W75 VanDerWaalsContact CE-CZ2 3.42Å; M3-W75 HydrophobicContact CG-CH2 3.91Å; M3-W224 HydrophobicContact CE-CB 3.98Å; M3-W224 HydrophobicContact CE-CG 4.12Å; M3-W224 HydrophobicContact SD-CG 4.27Å |
| 4 | E | 74.3 | Confident | 86.7 | Confident | 129 Ų | 129 | 80.3 Ų | 80.3 | 60% | 0.603 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 132.7 | 170.9 | -165.3 | -171.1 | 165.4 | 0 | 0 | 109.8 | A2 F6 W224 | A2-E4 PolarHBondContact O-N 3.29Å; E4-F6 VanDerWaalsContact C-N 3.29Å; E4-F6 PolarHBondContact O-N 3.13Å; E4-W224 PolarHBondContact O-NE1 3.48Å |
| 5 | N | 86.6 | Confident | 87.5 | Confident | 86 Ų | 86 | 76.7 Ų | 76.7 | 46% | 0.46 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 37 | -174.8 | -57.4 | -46.9 | 0 | 0 | 0 | 114 | M3 K7 Q8 F9 | M3-N5 PolarHBondContact O-N 3.24Å; N5-K7 PolarHBondContact O-N 3.37Å; N5-K7 VanDerWaalsContact O-N 3.13Å; N5-Q8 HydrophobicContact CB-CB 4.05Å; N5-Q8 WeakPolarHBondContact O-CA 3.42Å; N5-Q8 WeakPolarHBondContact O-CB 3.35Å; N5-Q8 PolarHBondContact O-N 3.28Å; N5-F9 PolarHBondContact O-N 2.91Å |
| 6 | F | 90 | Very high | 88.2 | Confident | 90 Ų | 90 | 71.9 Ų | 71.9 | 40% | 0.395 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -48.2 | -41.6 | 178.4 | 176.4 | -105.3 | 0 | 0 | 0 | 114 | M3 E4 Q8 F9 L10 P72 W73 | M3-F6 HydrophobicContact CB-CB 4.29Å; M3-F6 HydrophobicContact CB-CD2 4.31Å; M3-F6 WeakPolarHBondContact O-CB 3.31Å; M3-F6 PolarHBondContact O-N 3.46Å; M3-F6 HydrophobicContact SD-CD2 4.28Å; E4-F6 VanDerWaalsContact C-N 3.29Å; E4-F6 PolarHBondContact O-N 3.13Å; F6-Q8 VanDerWaalsContact C-N 3.34Å; F6-Q8 PolarHBondContact O-N 3.32Å; F6-F9 PolarHBondContact O-N 3.02Å; F6-L10 HydrophobicContact CE1-CD2 4.44Å; F6-L10 WeakPolarHBondContact O-CB 3.3Å; F6-L10 PolarHBondContact O-N 3.42Å; F6-P72 HydrophobicContact CD2-CB 4.45Å; F6-P72 HydrophobicContact CD2-CG 3.8Å; F6-P72 HydrophobicContact CE2-CB 4.41Å; F6-P72 HydrophobicContact CE2-CG 3.59Å; F6-W73 HydrophobicContact CE2-CE3 4.42Å; F6-W73 HydrophobicContact CE2-CZ3 4.2Å; F6-W73 HydrophobicContact CZ-CZ3 4.49Å |
| 7 | K | 92.7 | Very high | 88.8 | Confident | 185 Ų | 185 | 70.4 Ų | 70.4 | 80% | 0.804 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62 | -40.7 | 176.9 | -67.7 | -175.9 | 179.5 | -179.7 | 0 | 112.3 | N5 L10 F11 | N5-K7 PolarHBondContact O-N 3.37Å; N5-K7 VanDerWaalsContact O-N 3.13Å; K7-L10 PolarHBondContact O-N 2.76Å; K7-F11 WeakPolarHBondContact O-CB 3.41Å; K7-F11 PolarHBondContact O-N 3.41Å |
| 8 | Q | 94.7 | Very high | 89.3 | Confident | 75 Ų | 75 | 70 Ų | 70 | 35% | 0.35 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.8 | -41.3 | 177.4 | -171 | -178.8 | 20.2 | 0 | 0 | 111.3 | N5 F6 F11 A12 W217 W224 | N5-Q8 HydrophobicContact CB-CB 4.05Å; N5-Q8 WeakPolarHBondContact O-CA 3.42Å; N5-Q8 WeakPolarHBondContact O-CB 3.35Å; N5-Q8 PolarHBondContact O-N 3.28Å; F6-Q8 VanDerWaalsContact C-N 3.34Å; F6-Q8 PolarHBondContact O-N 3.32Å; Q8-F11 PolarHBondContact O-N 3.3Å; Q8-A12 WeakPolarHBondContact O-CB 3.41Å; Q8-A12 PolarHBondContact O-N 3.45Å; Q8-W217 HydrophobicContact CG-CH2 4.24Å; Q8-W224 HydrophobicContact CB-CZ2 4.33Å; Q8-W224 HydrophobicContact CG-CH2 4.44Å; Q8-W224 HydrophobicContact CG-CZ2 4.19Å |
| 9 | F | 94.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.3 | -47.8 | 172.7 | 173.1 | -91.9 | 0 | 0 | 0 | 111.3 | M3 N5 F6 F11 A12 L13 R70 L71 P72 W73 I218 W224 | M3-F9 HydrophobicContact CE-CB 4.42Å; M3-F9 HydrophobicContact CE-CD1 4.1Å; M3-F9 HydrophobicContact CE-CD2 3.78Å; M3-F9 HydrophobicContact CE-CE1 4.35Å; M3-F9 HydrophobicContact CE-CE2 4.01Å; M3-F9 HydrophobicContact CE-CG 3.82Å; M3-F9 HydrophobicContact CE-CZ 4.29Å; M3-F9 HydrophobicContact SD-CB 3.39Å; M3-F9 WeakPolarHBondContact SD-CB 3.47Å; M3-F9 HydrophobicContact SD-CD1 3.78Å; M3-F9 HydrophobicContact SD-CD2 3.89Å; M3-F9 HydrophobicContact SD-CG 3.38Å; M3-F9 WeakPolarHBondContact SD-CG 3.25Å; N5-F9 PolarHBondContact O-N 2.91Å; F6-F9 PolarHBondContact O-N 3.02Å; F9-F11 VanDerWaalsContact C-N 3.33Å; F9-F11 PolarHBondContact O-N 3.25Å; F9-A12 PolarHBondContact O-N 3.06Å; F9-L13 HydrophobicContact CE1-CB 4.34Å; F9-L13 HydrophobicContact CE1-CD2 3.93Å; F9-L13 HydrophobicContact CZ-CD2 4.23Å; F9-L13 WeakPolarHBondContact O-CB 3.5Å; F9-L13 PolarHBondContact O-N 3.46Å; F9-R70 HydrophobicContact CE2-CB 4.16Å; F9-R70 WeakPolarHBondContact CZ-O 3.47Å; F9-L71 HydrophobicContact CE1-CD2 4.46Å; F9-L71 HydrophobicContact CZ-CD2 4.04Å; F9-P72 HydrophobicContact CD1-CG 4.08Å; F9-P72 HydrophobicContact CE1-CG 3.96Å; F9-W73 HydrophobicContact CE1-CH2 4.17Å; F9-W73 HydrophobicContact CE1-CZ3 4.32Å; F9-I218 HydrophobicContact CD2-CG2 4.41Å; F9-I218 HydrophobicContact CE2-CG2 3.87Å; F9-W224 HydrophobicContact CB-CD2 4.16Å; F9-W224 HydrophobicContact CB-CH2 4.45Å; F9-W224 HydrophobicContact CB-CZ2 3.94Å; F9-W224 HydrophobicContact CD2-CB 4.25Å; F9-W224 AromaticContact CD2-CD2 3.64Å; F9-W224 HydrophobicContact CD2-CD2 3.64Å; F9-W224 AromaticContact CD2-CE3 3.7Å; F9-W224 HydrophobicContact CD2-CE3 3.7Å; F9-W224 AromaticContact CD2-CG 3.89Å; F9-W224 HydrophobicContact CD2-CG 3.89Å; F9-W224 HydrophobicContact CD2-CZ3 4.25Å; F9-W224 HydrophobicContact CE2-CE3 4.45Å; F9-W224 HydrophobicContact CG-CD2 4.38Å |
| 10 | L | 95.6 | Very high | 90.2 | Very high | 78 Ų | 78 | 64.5 Ų | 64.5 | 41% | 0.408 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | -179.1 | -173.4 | 63.8 | 0 | 0 | 0 | 111.4 | F6 K7 S14 W73 | F6-L10 HydrophobicContact CE1-CD2 4.44Å; F6-L10 WeakPolarHBondContact O-CB 3.3Å; F6-L10 PolarHBondContact O-N 3.42Å; K7-L10 PolarHBondContact O-N 2.76Å; L10-S14 VanDerWaalsContact O-CB 3.23Å; L10-S14 WeakPolarHBondContact O-CB 3.38Å; L10-S14 PolarHBondContact O-N 3.35Å; L10-W73 HydrophobicContact CD1-CH2 4.2Å; L10-W73 HydrophobicContact CD1-CZ3 4.28Å |
| 11 | F | 96.9 | Very high | 90.6 | Very high | 151 Ų | 151 | 66.8 Ų | 66.8 | 66% | 0.662 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.1 | -49 | 173.1 | 176.9 | -96.9 | 0 | 0 | 0 | 111.7 | K7 Q8 F9 L13 S14 A15 | K7-F11 WeakPolarHBondContact O-CB 3.41Å; K7-F11 PolarHBondContact O-N 3.41Å; Q8-F11 PolarHBondContact O-N 3.3Å; F9-F11 VanDerWaalsContact C-N 3.33Å; F9-F11 PolarHBondContact O-N 3.25Å; F11-L13 PolarHBondContact O-N 3.35Å; F11-S14 PolarHBondContact O-N 3.17Å; F11-A15 VanDerWaalsContact O-CB 3.31Å; F11-A15 WeakPolarHBondContact O-CB 3.24Å; F11-A15 PolarHBondContact O-N 2.72Å |
| 12 | A | 97.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.008 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62 | -44.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q8 F9 A15 A16 I214 W217 I218 W224 | Q8-A12 WeakPolarHBondContact O-CB 3.41Å; Q8-A12 PolarHBondContact O-N 3.45Å; F9-A12 PolarHBondContact O-N 3.06Å; A12-A15 PolarHBondContact O-N 3.06Å; A12-A16 WeakPolarHBondContact O-CB 3.44Å; A12-A16 PolarHBondContact O-N 3.3Å; A12-I214 HydrophobicContact CB-CG2 4.29Å; A12-I214 VanDerWaalsContact O-CG2 3.26Å; A12-I214 WeakPolarHBondContact O-CG2 3.38Å; A12-W217 HydrophobicContact CB-CE3 4.11Å; A12-W217 HydrophobicContact CB-CZ3 3.8Å; A12-I218 HydrophobicContact CB-CD1 4.04Å; A12-I218 HydrophobicContact CB-CG1 3.97Å; A12-W224 HydrophobicContact CB-CH2 4.34Å |
| 13 | L | 97.6 | Very high | 94.3 | Very high | 18 Ų | 18 | 58.7 Ų | 58.7 | 9% | 0.094 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 177.3 | -178.9 | 68.2 | 0 | 0 | 0 | 111.3 | F9 F11 A15 A16 V17 L71 W73 | F9-L13 HydrophobicContact CE1-CB 4.34Å; F9-L13 HydrophobicContact CE1-CD2 3.93Å; F9-L13 HydrophobicContact CZ-CD2 4.23Å; F9-L13 WeakPolarHBondContact O-CB 3.5Å; F9-L13 PolarHBondContact O-N 3.46Å; F11-L13 PolarHBondContact O-N 3.35Å; L13-A15 VanDerWaalsContact C-N 3.33Å; L13-A15 PolarHBondContact O-N 3.46Å; L13-A16 PolarHBondContact O-N 2.97Å; L13-V17 HydrophobicContact CD1-CG2 4.34Å; L13-V17 HydrophobicContact CG-CG2 4.48Å; L13-V17 WeakPolarHBondContact O-CB 3.27Å; L13-V17 VanDerWaalsContact O-CG2 3.32Å; L13-V17 WeakPolarHBondContact O-CG2 3.43Å; L13-V17 PolarHBondContact O-N 3.32Å; L13-L71 HydrophobicContact CD1-CD2 4.14Å; L13-L71 HydrophobicContact CD2-CD2 3.57Å; L13-W73 HydrophobicContact CD2-CH2 3.57Å; L13-W73 HydrophobicContact CD2-CZ2 3.77Å |
| 14 | S | 97.9 | Very high | 95.4 | Very high | 68 Ų | 68 | 59.2 Ų | 59.2 | 48% | 0.476 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 176.8 | -171.7 | 0 | 0 | 0 | 0 | 110.8 | L10 F11 V17 S18 | L10-S14 VanDerWaalsContact O-CB 3.23Å; L10-S14 WeakPolarHBondContact O-CB 3.38Å; L10-S14 PolarHBondContact O-N 3.35Å; F11-S14 PolarHBondContact O-N 3.17Å; S14-V17 PolarHBondContact O-N 3.36Å; S14-S18 WeakPolarHBondContact O-CB 3.39Å; S14-S18 PolarHBondContact O-N 2.73Å; S14-S18 PolarHBondContact O-OG 2.95Å |
| 15 | A | 98.3 | Very high | 96.6 | Very high | 27 Ų | 27 | 58.1 Ų | 58.1 | 22% | 0.223 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F11 A12 L13 V17 S18 V19 I214 | F11-A15 VanDerWaalsContact O-CB 3.31Å; F11-A15 WeakPolarHBondContact O-CB 3.24Å; F11-A15 PolarHBondContact O-N 2.72Å; A12-A15 PolarHBondContact O-N 3.06Å; L13-A15 VanDerWaalsContact C-N 3.33Å; L13-A15 PolarHBondContact O-N 3.46Å; A15-V17 PolarHBondContact O-N 3.29Å; A15-S18 PolarHBondContact O-N 3.42Å; A15-V19 WeakPolarHBondContact O-CB 3.48Å; A15-V19 WeakPolarHBondContact O-CG2 3.44Å; A15-V19 PolarHBondContact O-N 3.22Å; A15-I214 HydrophobicContact CB-CD1 4.14Å |
| 16 | A | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A12 L13 G20 F211 I214 I215 I218 | A12-A16 WeakPolarHBondContact O-CB 3.44Å; A12-A16 PolarHBondContact O-N 3.3Å; L13-A16 PolarHBondContact O-N 2.97Å; A16-G20 PolarHBondContact O-N 3.45Å; A16-F211 HydrophobicContact CB-CD2 4.44Å; A16-F211 HydrophobicContact CB-CE2 4.42Å; A16-F211 VanDerWaalsContact O-CD2 3.22Å; A16-F211 WeakPolarHBondContact O-CD2 3.39Å; A16-F211 WeakPolarHBondContact O-CE2 3.44Å; A16-I214 HydrophobicContact CB-CB 4.28Å; A16-I214 HydrophobicContact CB-CG2 3.74Å; A16-I215 HydrophobicContact CB-CD1 3.99Å; A16-I218 HydrophobicContact CB-CD1 4.48Å |
| 17 | V | 98.4 | Very high | 97.6 | Very high | 45 Ų | 45 | 51.8 Ų | 51.8 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 179.4 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | L13 S14 A15 G20 F21 I64 | L13-V17 HydrophobicContact CD1-CG2 4.34Å; L13-V17 HydrophobicContact CG-CG2 4.48Å; L13-V17 WeakPolarHBondContact O-CB 3.27Å; L13-V17 VanDerWaalsContact O-CG2 3.32Å; L13-V17 WeakPolarHBondContact O-CG2 3.43Å; L13-V17 PolarHBondContact O-N 3.32Å; S14-V17 PolarHBondContact O-N 3.36Å; A15-V17 PolarHBondContact O-N 3.29Å; V17-G20 PolarHBondContact O-N 2.94Å; V17-F21 HydrophobicContact CG1-CD2 3.57Å; V17-F21 HydrophobicContact CG1-CE2 3.61Å; V17-F21 WeakPolarHBondContact O-CB 3.38Å; V17-F21 VanDerWaalsContact O-CD2 3.26Å; V17-F21 WeakPolarHBondContact O-CD2 3.38Å; V17-F21 PolarHBondContact O-N 3.26Å; V17-I64 HydrophobicContact CG2-CD1 4.04Å |
| 18 | S | 98.5 | Very high | 97.9 | Very high | 64 Ų | 64 | 45.8 Ų | 45.8 | 45% | 0.448 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.6 | -50.5 | 178.2 | -63.9 | 0 | 0 | 0 | 0 | 112.2 | S14 A15 G20 F21 V22 | S14-S18 WeakPolarHBondContact O-CB 3.39Å; S14-S18 PolarHBondContact O-N 2.73Å; S14-S18 PolarHBondContact O-OG 2.95Å; A15-S18 PolarHBondContact O-N 3.42Å; S18-G20 VanDerWaalsContact C-N 3.33Å; S18-G20 PolarHBondContact O-N 3.4Å; S18-F21 PolarHBondContact O-N 2.92Å; S18-V22 VanDerWaalsContact O-CG2 3.26Å; S18-V22 WeakPolarHBondContact O-CG2 3.43Å; S18-V22 PolarHBondContact O-N 3.16Å |
| 19 | V | 98.6 | Very high | 98.1 | Very high | 28 Ų | 28 | 48 Ų | 48 | 17% | 0.17 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 179.1 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | A15 V22 S23 L207 V210 F211 | A15-V19 WeakPolarHBondContact O-CB 3.48Å; A15-V19 WeakPolarHBondContact O-CG2 3.44Å; A15-V19 PolarHBondContact O-N 3.22Å; V19-V22 PolarHBondContact O-N 3.46Å; V19-S23 PolarHBondContact O-N 3.28Å; V19-S23 PolarHBondContact O-OG 3.44Å; V19-S23 VanDerWaalsContact O-OG 3.09Å; V19-L207 HydrophobicContact CG1-CB 4.24Å; V19-L207 HydrophobicContact CG1-CD2 4.05Å; V19-L207 VanDerWaalsContact CG1-O 3.3Å; V19-L207 WeakPolarHBondContact CG1-O 3.23Å; V19-V210 HydrophobicContact CG1-CB 4.42Å; V19-V210 HydrophobicContact CG1-CG1 4.27Å; V19-V210 HydrophobicContact CG2-CG1 4.35Å; V19-F211 HydrophobicContact CG1-CB 3.95Å |
| 20 | G | 98.5 | Very high | 98.3 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A16 V17 S18 S23 I24 | A16-G20 PolarHBondContact O-N 3.45Å; V17-G20 PolarHBondContact O-N 2.94Å; S18-G20 VanDerWaalsContact C-N 3.33Å; S18-G20 PolarHBondContact O-N 3.4Å; G20-S23 WeakPolarHBondContact O-CB 3.41Å; G20-S23 PolarHBondContact O-N 3.26Å; G20-I24 PolarHBondContact O-N 3.42Å; G20-I24 VanDerWaalsContact O-N 3.1Å |
| 21 | F | 98.5 | Very high | 98.4 | Very high | 113 Ų | 113 | 44.5 Ų | 44.5 | 50% | 0.496 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 174.4 | -89.8 | -67.6 | 0 | 0 | 0 | 112.3 | V17 S18 S23 I24 I25 F60 | V17-F21 HydrophobicContact CG1-CD2 3.57Å; V17-F21 HydrophobicContact CG1-CE2 3.61Å; V17-F21 WeakPolarHBondContact O-CB 3.38Å; V17-F21 VanDerWaalsContact O-CD2 3.26Å; V17-F21 WeakPolarHBondContact O-CD2 3.38Å; V17-F21 PolarHBondContact O-N 3.26Å; S18-F21 PolarHBondContact O-N 2.92Å; F21-S23 VanDerWaalsContact C-N 3.32Å; F21-S23 PolarHBondContact O-N 3.24Å; F21-I24 PolarHBondContact O-N 2.89Å; F21-I25 WeakPolarHBondContact O-CG1 3.24Å; F21-I25 PolarHBondContact O-N 3.33Å; F21-F60 HydrophobicContact CD2-CE2 4.4Å; F21-F60 AromaticContact CD2-CZ 3.99Å; F21-F60 HydrophobicContact CD2-CZ 3.99Å; F21-F60 HydrophobicContact CE1-CZ 4.49Å; F21-F60 AromaticContact CE2-CZ 3.78Å; F21-F60 HydrophobicContact CE2-CZ 3.78Å; F21-F60 HydrophobicContact CG-CZ 4.43Å; F21-F60 HydrophobicContact CZ-CE1 4.35Å; F21-F60 HydrophobicContact CZ-CZ 4.04Å |
| 22 | V | 98.8 | Very high | 98.5 | Very high | 57 Ų | 57 | 43.1 Ų | 43.1 | 35% | 0.345 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.5 | -40.5 | 175.5 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | S18 V19 I24 I25 F26 L207 | S18-V22 VanDerWaalsContact O-CG2 3.26Å; S18-V22 WeakPolarHBondContact O-CG2 3.43Å; S18-V22 PolarHBondContact O-N 3.16Å; V19-V22 PolarHBondContact O-N 3.46Å; V22-I24 VanDerWaalsContact C-N 3.31Å; V22-I24 PolarHBondContact O-N 2.92Å; V22-I25 PolarHBondContact O-N 3.24Å; V22-I25 VanDerWaalsContact O-N 3.16Å; V22-F26 HydrophobicContact CG1-CD2 3.64Å; V22-F26 HydrophobicContact CG1-CE2 3.57Å; V22-F26 WeakPolarHBondContact O-CB 3.47Å; V22-F26 VanDerWaalsContact O-CD2 3.26Å; V22-F26 WeakPolarHBondContact O-CD2 3.2Å; V22-F26 PolarHBondContact O-N 2.83Å; V22-L207 HydrophobicContact CG1-CD1 3.88Å |
| 23 | S | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.028 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.8 | -39.9 | 173.5 | -62.6 | 0 | 0 | 0 | 0 | 112.6 | V19 G20 F21 F26 V27 L204 L207 | V19-S23 PolarHBondContact O-N 3.28Å; V19-S23 PolarHBondContact O-OG 3.44Å; V19-S23 VanDerWaalsContact O-OG 3.09Å; G20-S23 WeakPolarHBondContact O-CB 3.41Å; G20-S23 PolarHBondContact O-N 3.26Å; F21-S23 VanDerWaalsContact C-N 3.32Å; F21-S23 PolarHBondContact O-N 3.24Å; S23-F26 PolarHBondContact O-N 3.45Å; S23-V27 PolarHBondContact O-N 2.89Å; S23-L204 VanDerWaalsContact O-CD1 3.32Å; S23-L204 WeakPolarHBondContact O-CD1 3.49Å; S23-L207 WeakPolarHBondContact OG-CB 3.48Å |
| 24 | I | 98.8 | Very high | 98.5 | Very high | 22 Ų | 22 | 51.4 Ų | 51.4 | 11% | 0.113 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 174.9 | -66.5 | 167.1 | 0 | 0 | 0 | 110.7 | G20 F21 V22 F26 V27 L28 V55 T56 F60 | G20-I24 PolarHBondContact O-N 3.42Å; G20-I24 VanDerWaalsContact O-N 3.1Å; F21-I24 PolarHBondContact O-N 2.89Å; V22-I24 VanDerWaalsContact C-N 3.31Å; V22-I24 PolarHBondContact O-N 2.92Å; I24-F26 VanDerWaalsContact C-N 3.29Å; I24-F26 PolarHBondContact O-N 3.04Å; I24-V27 VanDerWaalsContact O-CG1 3.27Å; I24-V27 WeakPolarHBondContact O-CG1 3.27Å; I24-V27 PolarHBondContact O-N 3.27Å; I24-L28 HydrophobicContact CG2-CD1 3.9Å; I24-L28 HydrophobicContact CG2-CG 4.42Å; I24-L28 WeakPolarHBondContact O-CB 3.39Å; I24-L28 VanDerWaalsContact O-CG 3.26Å; I24-L28 WeakPolarHBondContact O-CG 3.26Å; I24-L28 PolarHBondContact O-N 3.31Å; I24-V55 HydrophobicContact CG1-CG1 4.37Å; I24-T56 HydrophobicContact CD1-CG2 4.14Å; I24-F60 HydrophobicContact CD1-CB 3.98Å; I24-F60 HydrophobicContact CD1-CD1 3.6Å; I24-F60 HydrophobicContact CD1-CD2 4.49Å; I24-F60 HydrophobicContact CD1-CE1 4.16Å; I24-F60 HydrophobicContact CD1-CG 3.77Å |
| 25 | I | 98.8 | Very high | 98.4 | Very high | 106 Ų | 106 | 49.6 Ų | 49.6 | 54% | 0.544 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 176.2 | -66.3 | 166.4 | 0 | 0 | 0 | 110.6 | F21 V22 L28 R29 | F21-I25 WeakPolarHBondContact O-CG1 3.24Å; F21-I25 PolarHBondContact O-N 3.33Å; V22-I25 PolarHBondContact O-N 3.24Å; V22-I25 VanDerWaalsContact O-N 3.16Å; I25-L28 PolarHBondContact O-N 3.28Å; I25-R29 VanDerWaalsContact O-CB 3.28Å; I25-R29 WeakPolarHBondContact O-CB 3.29Å; I25-R29 PolarHBondContact O-N 3.24Å |
| 26 | F | 98.7 | Very high | 98.3 | Very high | 44 Ų | 44 | 53.6 Ų | 53.6 | 19% | 0.193 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.5 | -46.5 | 178 | -93 | -119.4 | 0 | 0 | 0 | 111.9 | V22 S23 I24 L28 R29 W30 F200 V203 L204 L207 | V22-F26 HydrophobicContact CG1-CD2 3.64Å; V22-F26 HydrophobicContact CG1-CE2 3.57Å; V22-F26 WeakPolarHBondContact O-CB 3.47Å; V22-F26 VanDerWaalsContact O-CD2 3.26Å; V22-F26 WeakPolarHBondContact O-CD2 3.2Å; V22-F26 PolarHBondContact O-N 2.83Å; S23-F26 PolarHBondContact O-N 3.45Å; I24-F26 VanDerWaalsContact C-N 3.29Å; I24-F26 PolarHBondContact O-N 3.04Å; F26-L28 VanDerWaalsContact C-N 3.32Å; F26-L28 PolarHBondContact O-N 3.5Å; F26-R29 PolarHBondContact O-N 2.91Å; F26-W30 WeakPolarHBondContact O-CB 3.34Å; F26-W30 PolarHBondContact O-N 3.3Å; F26-F200 HydrophobicContact CB-CE1 4.3Å; F26-F200 HydrophobicContact CB-CZ 4.19Å; F26-F200 HydrophobicContact CD1-CD1 4.29Å; F26-F200 HydrophobicContact CD1-CD2 4.16Å; F26-F200 AromaticContact CD1-CE1 3.81Å; F26-F200 HydrophobicContact CD1-CE1 3.81Å; F26-F200 AromaticContact CD1-CE2 3.66Å; F26-F200 HydrophobicContact CD1-CE2 3.66Å; F26-F200 HydrophobicContact CD1-CG 4.45Å; F26-F200 AromaticContact CD1-CZ 3.46Å; F26-F200 HydrophobicContact CD1-CZ 3.46Å; F26-F200 VanDerWaalsContact CD1-CZ 3.46Å; F26-F200 HydrophobicContact CD2-CZ 4.23Å; F26-F200 AromaticContact CE1-CD2 3.85Å; F26-F200 HydrophobicContact CE1-CD2 3.85Å; F26-F200 HydrophobicContact CE1-CE1 4.44Å; F26-F200 AromaticContact CE1-CE2 3.48Å; F26-F200 HydrophobicContact CE1-CE2 3.48Å; F26-F200 VanDerWaalsContact CE1-CE2 3.48Å; F26-F200 HydrophobicContact CE1-CG 4.46Å; F26-F200 AromaticContact CE1-CZ 3.81Å; F26-F200 HydrophobicContact CE1-CZ 3.81Å; F26-F200 HydrophobicContact CE2-CE2 4.41Å; F26-F200 HydrophobicContact CG-CE1 4.18Å; F26-F200 HydrophobicContact CG-CE2 4.21Å; F26-F200 AromaticContact CG-CZ 3.7Å; F26-F200 HydrophobicContact CG-CZ 3.7Å; F26-F200 AromaticContact CZ-CE2 3.9Å; F26-F200 HydrophobicContact CZ-CE2 3.9Å; F26-F200 HydrophobicContact CZ-CZ 4.35Å; F26-F200 WeakPolarHBondContact O-CE1 3Å; F26-V203 HydrophobicContact CD1-CG1 4.43Å; F26-V203 HydrophobicContact CE1-CB 4.09Å; F26-V203 HydrophobicContact CE1-CG1 3.61Å; F26-V203 HydrophobicContact CZ-CG1 4.12Å; F26-L204 HydrophobicContact CB-CB 4.15Å; F26-L204 HydrophobicContact CB-CD1 3.86Å; F26-L204 HydrophobicContact CB-CG 4.41Å; F26-L204 HydrophobicContact CD1-CB 4.18Å; F26-L207 HydrophobicContact CD1-CD1 4.15Å; F26-L207 HydrophobicContact CD2-CD1 4.2Å; F26-L207 HydrophobicContact CE1-CD1 4.21Å; F26-L207 HydrophobicContact CE2-CD1 4.25Å; F26-L207 HydrophobicContact CG-CD1 4.14Å; F26-L207 HydrophobicContact CZ-CD1 4.25Å |
| 27 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.9 | -37 | 178.3 | 74.6 | 0 | 0 | 0 | 0 | 111.4 | S23 I24 W30 V31 P51 V52 V55 L204 | S23-V27 PolarHBondContact O-N 2.89Å; I24-V27 VanDerWaalsContact O-CG1 3.27Å; I24-V27 WeakPolarHBondContact O-CG1 3.27Å; I24-V27 PolarHBondContact O-N 3.27Å; V27-W30 HydrophobicContact CG2-CE3 4.14Å; V27-W30 WeakPolarHBondContact O-CB 3.43Å; V27-W30 PolarHBondContact O-N 3.47Å; V27-V31 PolarHBondContact O-N 3.41Å; V27-P51 HydrophobicContact CG2-CB 3.94Å; V27-V52 HydrophobicContact CG1-CG2 4.38Å; V27-V52 HydrophobicContact CG2-CG2 4.12Å; V27-V55 HydrophobicContact CB-CB 4.38Å; V27-V55 HydrophobicContact CB-CG1 4.4Å; V27-V55 HydrophobicContact CB-CG2 4.33Å; V27-V55 HydrophobicContact CG1-CB 4.02Å; V27-V55 HydrophobicContact CG1-CG1 3.98Å; V27-V55 HydrophobicContact CG2-CG2 4.21Å; V27-L204 HydrophobicContact CB-CD2 3.92Å; V27-L204 HydrophobicContact CG2-CD2 4.24Å |
| 28 | L | 98.8 | Very high | 98.3 | Very high | 59 Ų | 59 | 54.1 Ų | 54.1 | 31% | 0.309 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.4 | -46.3 | 174.6 | -70.8 | 171.6 | 0 | 0 | 0 | 111.4 | I24 I25 F26 W30 V31 F32 V52 | I24-L28 HydrophobicContact CG2-CD1 3.9Å; I24-L28 HydrophobicContact CG2-CG 4.42Å; I24-L28 WeakPolarHBondContact O-CB 3.39Å; I24-L28 VanDerWaalsContact O-CG 3.26Å; I24-L28 WeakPolarHBondContact O-CG 3.26Å; I24-L28 PolarHBondContact O-N 3.31Å; I25-L28 PolarHBondContact O-N 3.28Å; F26-L28 VanDerWaalsContact C-N 3.32Å; F26-L28 PolarHBondContact O-N 3.5Å; L28-W30 VanDerWaalsContact C-N 3.26Å; L28-W30 PolarHBondContact O-N 3.46Å; L28-V31 VanDerWaalsContact O-CG2 3.25Å; L28-V31 WeakPolarHBondContact O-CG2 3.48Å; L28-V31 PolarHBondContact O-N 3.28Å; L28-F32 HydrophobicContact CB-CD2 4.42Å; L28-F32 HydrophobicContact CD2-CE2 4.09Å; L28-F32 WeakPolarHBondContact O-CB 3.45Å; L28-F32 WeakPolarHBondContact O-CD2 3.48Å; L28-F32 PolarHBondContact O-N 3.49Å; L28-V52 HydrophobicContact CD2-CG1 3.84Å; L28-V52 HydrophobicContact CD2-CG2 4.28Å |
| 29 | R | 98.7 | Very high | 98.3 | Very high | 120 Ų | 120 | 52.6 Ų | 52.6 | 45% | 0.453 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.4 | -38.2 | 175.9 | -178 | 60.9 | 176.4 | 177.1 | -0.7 | 111 | I25 F26 Y33 F200 | I25-R29 VanDerWaalsContact O-CB 3.28Å; I25-R29 WeakPolarHBondContact O-CB 3.29Å; I25-R29 PolarHBondContact O-N 3.24Å; F26-R29 PolarHBondContact O-N 2.91Å; R29-Y33 VanDerWaalsContact CZ-CB 3.49Å; R29-Y33 VanDerWaalsContact NH2-CG 3.33Å; R29-Y33 WeakPolarHBondContact O-CB 3.41Å; R29-Y33 PolarHBondContact O-N 2.99Å; R29-F200 HydrophobicContact CB-CE1 4.16Å; R29-F200 HydrophobicContact CB-CZ 3.89Å; R29-F200 HydrophobicContact CG-CE1 4.16Å; R29-F200 HydrophobicContact CG-CZ 3.77Å |
| 30 | W | 98.6 | Very high | 98.2 | Very high | 5 Ų | 5 | 57.5 Ų | 57.5 | 2% | 0.019 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -56.2 | -53.9 | 174.9 | 178.1 | 30.2 | 0 | 0 | 0 | 110.6 | F26 V27 L28 F34 K35 P51 I178 K181 L182 E197 F200 V201 L204 | F26-W30 WeakPolarHBondContact O-CB 3.34Å; F26-W30 PolarHBondContact O-N 3.3Å; V27-W30 HydrophobicContact CG2-CE3 4.14Å; V27-W30 WeakPolarHBondContact O-CB 3.43Å; V27-W30 PolarHBondContact O-N 3.47Å; L28-W30 VanDerWaalsContact C-N 3.26Å; L28-W30 PolarHBondContact O-N 3.46Å; W30-F34 WeakPolarHBondContact O-CB 3.4Å; W30-F34 PolarHBondContact O-N 3.28Å; W30-F34 VanDerWaalsContact O-N 3.07Å; W30-K35 PolarHBondContact O-N 2.81Å; W30-P51 HydrophobicContact CZ3-CB 3.9Å; W30-P51 HydrophobicContact CZ3-CG 4.21Å; W30-I178 HydrophobicContact CZ3-CG1 4.39Å; W30-K181 HydrophobicContact CH2-CB 4.15Å; W30-K181 HydrophobicContact CH2-CG 3.88Å; W30-K181 HydrophobicContact CZ2-CB 4.35Å; W30-K181 HydrophobicContact CZ2-CG 3.76Å; W30-L182 HydrophobicContact CZ2-CD2 4.46Å; W30-E197 PolarHBondContact NE1-OE1 3.39Å; W30-F200 HydrophobicContact CB-CE1 4.37Å; W30-V201 HydrophobicContact CB-CG2 4.29Å; W30-V201 HydrophobicContact CD2-CG1 4.15Å; W30-V201 HydrophobicContact CD2-CG2 3.64Å; W30-V201 HydrophobicContact CE3-CG1 4.17Å; W30-V201 HydrophobicContact CE3-CG2 4.39Å; W30-V201 HydrophobicContact CG-CG2 3.54Å; W30-V201 HydrophobicContact CH2-CG1 4.09Å; W30-V201 HydrophobicContact CZ2-CG1 4.06Å; W30-V201 HydrophobicContact CZ2-CG2 4.3Å; W30-V201 HydrophobicContact CZ3-CG1 4.15Å; W30-L204 HydrophobicContact CE3-CD2 4.18Å |
| 31 | V | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -70.7 | -35.3 | -176 | -59.1 | 0 | 0 | 0 | 0 | 113.7 | V27 L28 K35 G37 L38 N48 P51 V52 | V27-V31 PolarHBondContact O-N 3.41Å; L28-V31 VanDerWaalsContact O-CG2 3.25Å; L28-V31 WeakPolarHBondContact O-CG2 3.48Å; L28-V31 PolarHBondContact O-N 3.28Å; V31-K35 CarbonylContact O-C 3.18Å; V31-K35 WeakPolarHBondContact O-CA 3.39Å; V31-K35 WeakPolarHBondContact O-CB 3.04Å; V31-K35 VanDerWaalsContact O-O 3.13Å; V31-G37 WeakPolarHBondContact O-CA 3.2Å; V31-G37 PolarHBondContact O-N 2.89Å; V31-L38 HydrophobicContact CG2-CD2 4.18Å; V31-L38 HydrophobicContact CG2-CG 4.28Å; V31-N48 HydrophobicContact CB-CB 4.05Å; V31-N48 HydrophobicContact CG1-CB 3.79Å; V31-P51 HydrophobicContact CG1-CG 4.44Å; V31-V52 HydrophobicContact CB-CG2 4.45Å; V31-V52 HydrophobicContact CG1-CG2 3.84Å; V31-V52 HydrophobicContact CG2-CG2 3.79Å |
| 32 | F | 98.4 | Very high | 98 | Very high | 122 Ų | 122 | 57.6 Ų | 57.6 | 54% | 0.535 | 27% | 0.274 | S | S | . | . | I | π-helix | trans | -86.6 | -27.7 | -176.3 | -75.5 | -61.8 | 0 | 0 | 0 | 114.7 | L28 L38 | L28-F32 HydrophobicContact CB-CD2 4.42Å; L28-F32 HydrophobicContact CD2-CE2 4.09Å; L28-F32 WeakPolarHBondContact O-CB 3.45Å; L28-F32 WeakPolarHBondContact O-CD2 3.48Å; L28-F32 PolarHBondContact O-N 3.49Å; F32-L38 HydrophobicContact CE1-CD1 4.4Å; F32-L38 HydrophobicContact CE1-CG 4.26Å; F32-L38 HydrophobicContact CE2-CD1 4.18Å; F32-L38 HydrophobicContact CZ-CD1 3.7Å; F32-L38 HydrophobicContact CZ-CG 4.03Å |
| 33 | Y | 98.1 | Very high | 97.9 | Very high | 140 Ų | 140 | 55.5 Ų | 55.5 | 55% | 0.549 | 26% | 0.264 | S | S | . | . | I | π-helix | trans | -102.9 | -37.3 | -176.6 | -178.4 | -103.5 | 0 | 0 | 0 | 113.2 | R29 | R29-Y33 VanDerWaalsContact CZ-CB 3.49Å; R29-Y33 VanDerWaalsContact NH2-CG 3.33Å; R29-Y33 WeakPolarHBondContact O-CB 3.41Å; R29-Y33 PolarHBondContact O-N 2.99Å |
| 34 | F | 97.2 | Very high | 97.8 | Very high | 53 Ų | 53 | 60.4 Ų | 60.4 | 23% | 0.232 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -102.7 | -18.6 | -177.7 | -63.1 | -80.3 | 0 | 0 | 0 | 113.1 | W30 P196 E197 F200 | W30-F34 WeakPolarHBondContact O-CB 3.4Å; W30-F34 PolarHBondContact O-N 3.28Å; W30-F34 VanDerWaalsContact O-N 3.07Å; F34-P196 HydrophobicContact CE1-CB 4.36Å; F34-E197 HydrophobicContact CB-CB 4.36Å; F34-E197 HydrophobicContact CB-CG 3.73Å; F34-E197 HydrophobicContact CD1-CB 3.54Å; F34-E197 HydrophobicContact CD1-CG 3.84Å; F34-E197 HydrophobicContact CD2-CG 4.36Å; F34-E197 HydrophobicContact CE1-CB 3.88Å; F34-E197 HydrophobicContact CE1-CG 4.5Å; F34-E197 HydrophobicContact CG-CB 3.99Å; F34-E197 HydrophobicContact CG-CG 3.74Å; F34-F200 HydrophobicContact CD2-CD1 4.29Å; F34-F200 HydrophobicContact CE2-CB 4.17Å; F34-F200 AromaticContact CE2-CD1 3.7Å; F34-F200 HydrophobicContact CE2-CD1 3.7Å; F34-F200 HydrophobicContact CE2-CE1 4.22Å; F34-F200 AromaticContact CE2-CG 3.87Å; F34-F200 HydrophobicContact CE2-CG 3.87Å; F34-F200 HydrophobicContact CZ-CB 4.27Å; F34-F200 HydrophobicContact CZ-CG 4.36Å |
| 35 | K | 96.4 | Very high | 97.8 | Very high | 31 Ų | 31 | 59.9 Ų | 59.9 | 14% | 0.135 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -118.4 | -174.7 | 179.2 | -56.5 | -59.4 | -171 | -149.6 | 0 | 111.6 | W30 V31 G37 N48 E197 | W30-K35 PolarHBondContact O-N 2.81Å; V31-K35 CarbonylContact O-C 3.18Å; V31-K35 WeakPolarHBondContact O-CA 3.39Å; V31-K35 WeakPolarHBondContact O-CB 3.04Å; V31-K35 VanDerWaalsContact O-O 3.13Å; K35-G37 PolarHBondContact O-N 2.64Å; K35-G37 VanDerWaalsContact O-N 3.14Å; K35-N48 WeakPolarHBondContact CB-ND2 3.42Å; K35-E197 WeakPolarHBondContact CE-OE1 3.42Å; K35-E197 VanDerWaalsContact NZ-CD 3.32Å; K35-E197 IonicContact NZ-OE1 2.63Å; K35-E197 PolarHBondContact NZ-OE1 2.85Å; K35-E197 IonicContact NZ-OE2 3.23Å; K35-E197 PolarHBondContact NZ-OE2 2.91Å |
| 36 | E | 96.6 | Very high | 97.8 | Very high | 110 Ų | 110 | 55 Ų | 55 | 51% | 0.514 | 26% | 0.259 | S | S | . | . | trans | -76.6 | 9.1 | -171.9 | -54.8 | 77 | -167.8 | 0 | 0 | 113.6 | F44 A45 N48 | E36-F44 HydrophobicContact CG-CB 4.04Å; E36-A45 HydrophobicContact CB-CB 4.2Å; E36-N48 PolarHBondContact OE2-ND2 3.28Å | ||
| 37 | G | 97.8 | Very high | 97.8 | Very high | 10 Ų | 10 | 54.2 Ų | 54.2 | 10% | 0.103 | 26% | 0.255 | C | S | . | . | trans | 77 | -148.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V31 K35 N48 | V31-G37 WeakPolarHBondContact O-CA 3.2Å; V31-G37 PolarHBondContact O-N 2.89Å; K35-G37 PolarHBondContact O-N 2.64Å; K35-G37 VanDerWaalsContact O-N 3.14Å; G37-N48 VanDerWaalsContact O-CB 3.27Å; G37-N48 WeakPolarHBondContact O-CB 3.31Å; G37-N48 PolarHBondContact O-ND2 3.32Å | ||
| 38 | L | 98.5 | Very high | 97.7 | Very high | 46 Ų | 46 | 54.3 Ų | 54.3 | 24% | 0.241 | 26% | 0.256 | C | S | . | . | trans | -128.2 | 130.8 | -176.1 | -63.2 | 177.7 | 0 | 0 | 0 | 110.4 | V31 F32 A45 N48 W49 V52 | V31-L38 HydrophobicContact CG2-CD2 4.18Å; V31-L38 HydrophobicContact CG2-CG 4.28Å; F32-L38 HydrophobicContact CE1-CD1 4.4Å; F32-L38 HydrophobicContact CE1-CG 4.26Å; F32-L38 HydrophobicContact CE2-CD1 4.18Å; F32-L38 HydrophobicContact CZ-CD1 3.7Å; F32-L38 HydrophobicContact CZ-CG 4.03Å; L38-A45 WeakPolarHBondContact CA-O 3.43Å; L38-N48 HydrophobicContact CD2-CB 3.75Å; L38-W49 HydrophobicContact CB-CZ2 4.05Å; L38-W49 HydrophobicContact CD1-CD2 4.35Å; L38-W49 HydrophobicContact CD1-CE3 4.24Å; L38-W49 HydrophobicContact CD1-CH2 3.9Å; L38-W49 HydrophobicContact CD1-CZ2 4Å; L38-W49 HydrophobicContact CD1-CZ3 4.02Å; L38-W49 HydrophobicContact CD2-CD2 4.08Å; L38-W49 HydrophobicContact CD2-CE3 4.48Å; L38-W49 HydrophobicContact CD2-CG 4.19Å; L38-V52 HydrophobicContact CD2-CG2 4.41Å | ||
| 39 | A | 98.1 | Very high | 97.7 | Very high | 33 Ų | 33 | 55.3 Ų | 55.3 | 27% | 0.273 | 26% | 0.256 | S | S | . | . | trans | -147.5 | 179.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | D41 A45 E46 W49 | A39-D41 HydrophobicContact CB-CB 4.45Å; A39-A45 HydrophobicContact CB-CB 3.63Å; A39-A45 PolarHBondContact N-O 2.93Å; A39-E46 VanDerWaalsContact O-CA 3.27Å; A39-E46 WeakPolarHBondContact O-CA 3.21Å; A39-W49 PolarHBondContact O-NE1 2.99Å | ||
| 40 | W | 98.2 | Very high | 97.7 | Very high | 131 Ų | 131 | 50.5 Ų | 50.5 | 50% | 0.496 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -134.2 | 73 | 171.5 | -158.4 | -76.6 | 0 | 0 | 0 | 108.3 | E46 W49 I99 V102 A103 | W40-E46 VanDerWaalsContact CA-OE2 3.31Å; W40-E46 WeakPolarHBondContact CA-OE2 3.37Å; W40-E46 HydrophobicContact CD2-CG 4.31Å; W40-E46 HydrophobicContact CE3-CG 4.32Å; W40-W49 AromaticContact CE3-CD1 3.85Å; W40-W49 HydrophobicContact CE3-CG 4.49Å; W40-W49 HydrophobicContact CZ3-CG 4.36Å; W40-I99 HydrophobicContact CH2-CG2 3.81Å; W40-I99 HydrophobicContact CZ3-CG2 3.87Å; W40-V102 HydrophobicContact CH2-CG1 4.31Å; W40-V102 HydrophobicContact CZ2-CG1 3.87Å; W40-A103 HydrophobicContact CH2-CB 3.95Å; W40-A103 HydrophobicContact CZ3-CB 4.01Å |
| 41 | D | 96.8 | Very high | 97.7 | Very high | 107 Ų | 107 | 51.1 Ų | 51.1 | 57% | 0.572 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -134.8 | 7.4 | -166.2 | 66.4 | -6.8 | 0 | 0 | 0 | 115 | A39 G43 E46 | A39-D41 HydrophobicContact CB-CB 4.45Å; D41-G43 PolarHBondContact O-N 2.82Å; D41-G43 WeakPolarHBondContact OD1-CA 3.41Å; D41-G43 PolarHBondContact OD1-N 3.35Å; D41-E46 PolarHBondContact N-OE2 3.42Å |
| 42 | G | 95.6 | Very high | 97.8 | Very high | 10 Ų | 10 | 51.5 Ų | 51.5 | 10% | 0.103 | 25% | 0.245 | C | C | . | . | S | Bend | trans | 70.1 | 6.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E46 A110 Q111 | G42-E46 PolarHBondContact N-OE2 2.99Å; G42-A110 WeakPolarHBondContact O-CB 3.46Å; G42-Q111 PolarHBondContact O-NE2 3.38Å |
| 43 | G | 96.8 | Very high | 97.8 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 13% | 0.134 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -97.1 | -173.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D41 A45 E46 F47 F107 | D41-G43 PolarHBondContact O-N 2.82Å; D41-G43 WeakPolarHBondContact OD1-CA 3.41Å; D41-G43 PolarHBondContact OD1-N 3.35Å; G43-A45 PolarHBondContact O-N 3.28Å; G43-E46 WeakPolarHBondContact O-CB 3.34Å; G43-E46 PolarHBondContact O-N 3.46Å; G43-F47 PolarHBondContact O-N 3.39Å; G43-F107 VanDerWaalsContact C-CD2 3.49Å; G43-F107 WeakPolarHBondContact O-CD2 3.37Å |
| 44 | F | 96.6 | Very high | 97.8 | Very high | 106 Ų | 106 | 40.8 Ų | 40.8 | 47% | 0.465 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.6 | -32.2 | 179.4 | -68.2 | -80.6 | 0 | 0 | 0 | 113.2 | E36 E46 F47 N48 F107 | E36-F44 HydrophobicContact CG-CB 4.04Å; F44-E46 VanDerWaalsContact C-N 3.31Å; F44-F47 PolarHBondContact O-N 2.88Å; F44-N48 VanDerWaalsContact O-CG 3.25Å; F44-N48 PolarHBondContact O-N 3.42Å; F44-N48 PolarHBondContact O-ND2 3.09Å; F44-F107 AromaticContact CD1-CE2 3.84Å; F44-F107 HydrophobicContact CD1-CE2 3.84Å; F44-F107 AromaticContact CD1-CZ 3.83Å; F44-F107 HydrophobicContact CD1-CZ 3.83Å; F44-F107 HydrophobicContact CE1-CE2 4.1Å; F44-F107 AromaticContact CE1-CZ 3.83Å; F44-F107 HydrophobicContact CE1-CZ 3.83Å; F44-F107 HydrophobicContact CG-CE2 4.15Å |
| 45 | A | 97.9 | Very high | 97.9 | Very high | 11 Ų | 11 | 38.6 Ų | 38.6 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.3 | -29.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E36 L38 A39 G43 N48 | E36-A45 HydrophobicContact CB-CB 4.2Å; L38-A45 WeakPolarHBondContact CA-O 3.43Å; A39-A45 HydrophobicContact CB-CB 3.63Å; A39-A45 PolarHBondContact N-O 2.93Å; G43-A45 PolarHBondContact O-N 3.28Å; A45-N48 PolarHBondContact O-N 2.9Å |
| 46 | E | 98.6 | Very high | 98 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.7 | -44.7 | 171.7 | -172.6 | 173.2 | 134.1 | 0 | 0 | 112 | A39 W40 D41 G42 G43 F44 N48 W49 A103 D106 | A39-E46 VanDerWaalsContact O-CA 3.27Å; A39-E46 WeakPolarHBondContact O-CA 3.21Å; W40-E46 VanDerWaalsContact CA-OE2 3.31Å; W40-E46 WeakPolarHBondContact CA-OE2 3.37Å; W40-E46 HydrophobicContact CD2-CG 4.31Å; W40-E46 HydrophobicContact CE3-CG 4.32Å; D41-E46 PolarHBondContact N-OE2 3.42Å; G42-E46 PolarHBondContact N-OE2 2.99Å; G43-E46 WeakPolarHBondContact O-CB 3.34Å; G43-E46 PolarHBondContact O-N 3.46Å; F44-E46 VanDerWaalsContact C-N 3.31Å; E46-N48 PolarHBondContact O-N 3.32Å; E46-N48 VanDerWaalsContact O-N 3.07Å; E46-W49 WeakPolarHBondContact O-CB 3.37Å; E46-W49 PolarHBondContact O-N 2.95Å; E46-A103 HydrophobicContact CG-CB 4.11Å; E46-D106 WeakPolarHBondContact OE1-CB 3.37Å |
| 47 | F | 98.3 | Very high | 98.1 | Very high | 27 Ų | 27 | 33.2 Ų | 33.2 | 12% | 0.118 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -53 | -35 | 175.2 | 176.6 | -85.8 | 0 | 0 | 0 | 112.1 | G43 F44 W49 H50 P51 V104 F107 K181 | G43-F47 PolarHBondContact O-N 3.39Å; F44-F47 PolarHBondContact O-N 2.88Å; F47-W49 PolarHBondContact O-N 3.27Å; F47-W49 VanDerWaalsContact O-N 3.16Å; F47-H50 WeakPolarHBondContact O-CB 3.23Å; F47-H50 PolarHBondContact O-N 3.34Å; F47-P51 WeakPolarHBondContact O-CD 3.44Å; F47-V104 HydrophobicContact CD2-CG1 4.47Å; F47-V104 HydrophobicContact CD2-CG2 4.05Å; F47-V104 HydrophobicContact CE2-CG1 4.29Å; F47-V104 HydrophobicContact CE2-CG2 4Å; F47-F107 HydrophobicContact CB-CB 4.24Å; F47-F107 HydrophobicContact CB-CD1 3.88Å; F47-F107 HydrophobicContact CB-CD2 4.06Å; F47-F107 HydrophobicContact CB-CE1 4.23Å; F47-F107 HydrophobicContact CB-CE2 4.37Å; F47-F107 HydrophobicContact CB-CG 3.79Å; F47-F107 HydrophobicContact CB-CZ 4.47Å; F47-F107 AromaticContact CD2-CD1 3.55Å; F47-F107 HydrophobicContact CD2-CD1 3.55Å; F47-F107 AromaticContact CD2-CE1 3.84Å; F47-F107 HydrophobicContact CD2-CE1 3.84Å; F47-F107 HydrophobicContact CD2-CG 4.27Å; F47-F107 HydrophobicContact CG-CD1 4.09Å; F47-F107 HydrophobicContact CG-CE1 4.25Å; F47-F107 HydrophobicContact CG-CG 4.49Å; F47-K181 HydrophobicContact CD1-CD 4.33Å; F47-K181 HydrophobicContact CE1-CD 3.56Å; F47-K181 VanDerWaalsContact CE1-CE 3.47Å; F47-K181 HydrophobicContact CE1-CG 4.24Å; F47-K181 VanDerWaalsContact CE1-NZ 3.33Å; F47-K181 HydrophobicContact CZ-CD 4.05Å |
| 48 | N | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.011 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -17 | -177.6 | -68.4 | -25.8 | 0 | 0 | 0 | 113.6 | V31 K35 E36 G37 L38 F44 A45 E46 H50 P51 V52 | V31-N48 HydrophobicContact CB-CB 4.05Å; V31-N48 HydrophobicContact CG1-CB 3.79Å; K35-N48 WeakPolarHBondContact CB-ND2 3.42Å; E36-N48 PolarHBondContact OE2-ND2 3.28Å; G37-N48 VanDerWaalsContact O-CB 3.27Å; G37-N48 WeakPolarHBondContact O-CB 3.31Å; G37-N48 PolarHBondContact O-ND2 3.32Å; L38-N48 HydrophobicContact CD2-CB 3.75Å; F44-N48 VanDerWaalsContact O-CG 3.25Å; F44-N48 PolarHBondContact O-N 3.42Å; F44-N48 PolarHBondContact O-ND2 3.09Å; A45-N48 PolarHBondContact O-N 2.9Å; E46-N48 PolarHBondContact O-N 3.32Å; E46-N48 VanDerWaalsContact O-N 3.07Å; N48-H50 PolarHBondContact O-N 3.21Å; N48-P51 WeakPolarHBondContact O-CD 3.32Å; N48-P51 WeakPolarHBondContact O-CG 3.36Å; N48-V52 WeakPolarHBondContact O-CG2 3.49Å |
| 49 | W | 98.8 | Very high | 98.1 | Very high | 80 Ų | 80 | 30.9 Ų | 30.9 | 30% | 0.303 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -61.4 | -30.7 | 166.6 | -79.1 | 110.8 | 0 | 0 | 0 | 112.5 | L38 A39 W40 E46 F47 V52 L53 A103 | L38-W49 HydrophobicContact CB-CZ2 4.05Å; L38-W49 HydrophobicContact CD1-CD2 4.35Å; L38-W49 HydrophobicContact CD1-CE3 4.24Å; L38-W49 HydrophobicContact CD1-CH2 3.9Å; L38-W49 HydrophobicContact CD1-CZ2 4Å; L38-W49 HydrophobicContact CD1-CZ3 4.02Å; L38-W49 HydrophobicContact CD2-CD2 4.08Å; L38-W49 HydrophobicContact CD2-CE3 4.48Å; L38-W49 HydrophobicContact CD2-CG 4.19Å; A39-W49 PolarHBondContact O-NE1 2.99Å; W40-W49 AromaticContact CE3-CD1 3.85Å; W40-W49 HydrophobicContact CE3-CG 4.49Å; W40-W49 HydrophobicContact CZ3-CG 4.36Å; E46-W49 WeakPolarHBondContact O-CB 3.37Å; E46-W49 PolarHBondContact O-N 2.95Å; F47-W49 PolarHBondContact O-N 3.27Å; F47-W49 VanDerWaalsContact O-N 3.16Å; W49-V52 PolarHBondContact O-N 3.18Å; W49-L53 HydrophobicContact CB-CD1 4.15Å; W49-L53 HydrophobicContact CE3-CD1 4.09Å; W49-L53 HydrophobicContact CE3-CD2 4.18Å; W49-L53 HydrophobicContact CE3-CG 3.98Å; W49-L53 HydrophobicContact CZ3-CD2 4.42Å; W49-L53 VanDerWaalsContact O-CB 3.29Å; W49-L53 WeakPolarHBondContact O-CB 3.26Å; W49-L53 VanDerWaalsContact O-CG 3.26Å; W49-L53 WeakPolarHBondContact O-CG 3.27Å; W49-L53 PolarHBondContact O-N 3.39Å; W49-A103 HydrophobicContact CB-CB 4.06Å |
| 50 | H | 98.7 | Very high | 98.2 | Very high | 20 Ų | 20 | 30.4 Ų | 30.4 | 9% | 0.093 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.3 | -64 | -176.9 | -176.6 | 71.3 | 0 | 0 | 0 | 112.7 | F47 N48 V52 L53 I54 S100 V104 H120 | F47-H50 WeakPolarHBondContact O-CB 3.23Å; F47-H50 PolarHBondContact O-N 3.34Å; N48-H50 PolarHBondContact O-N 3.21Å; H50-V52 VanDerWaalsContact C-N 3.31Å; H50-V52 PolarHBondContact O-N 3.34Å; H50-L53 PolarHBondContact O-N 2.85Å; H50-I54 WeakPolarHBondContact O-CG1 3.38Å; H50-I54 PolarHBondContact O-N 3.48Å; H50-S100 VanDerWaalsContact CA-OG 3.23Å; H50-S100 WeakPolarHBondContact CA-OG 3.42Å; H50-S100 PolarHBondContact ND1-O 3.36Å; H50-S100 PolarHBondContact ND1-OG 2.76Å; H50-S100 PolarHBondContact O-OG 2.97Å; H50-V104 HydrophobicContact CB-CG2 3.36Å; H50-V104 VanDerWaalsContact ND1-CG2 3.26Å; H50-V104 WeakPolarHBondContact ND1-CG2 3.22Å; H50-H120 AromaticContact NE2-NE2 3.81Å |
| 51 | P | 98.6 | Very high | 98.2 | Very high | 18 Ų | 18 | 25.5 Ų | 25.5 | 12% | 0.117 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.4 | -36.3 | 179.9 | 25.6 | -35.6 | 0 | 0 | 0 | 112.8 | V27 W30 V31 F47 N48 V55 | V27-P51 HydrophobicContact CG2-CB 3.94Å; W30-P51 HydrophobicContact CZ3-CB 3.9Å; W30-P51 HydrophobicContact CZ3-CG 4.21Å; V31-P51 HydrophobicContact CG1-CG 4.44Å; F47-P51 WeakPolarHBondContact O-CD 3.44Å; N48-P51 WeakPolarHBondContact O-CD 3.32Å; N48-P51 WeakPolarHBondContact O-CG 3.36Å; P51-V55 WeakPolarHBondContact O-CB 3.29Å; P51-V55 VanDerWaalsContact O-CG2 3.27Å; P51-V55 WeakPolarHBondContact O-CG2 3.45Å; P51-V55 PolarHBondContact O-N 3.49Å |
| 52 | V | 98.8 | Very high | 98.3 | Very high | 8 Ų | 8 | 20.5 Ų | 20.5 | 5% | 0.048 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.5 | -49.1 | 179.6 | 172.1 | 0 | 0 | 0 | 0 | 111 | V27 L28 V31 L38 N48 W49 H50 T56 | V27-V52 HydrophobicContact CG1-CG2 4.38Å; V27-V52 HydrophobicContact CG2-CG2 4.12Å; L28-V52 HydrophobicContact CD2-CG1 3.84Å; L28-V52 HydrophobicContact CD2-CG2 4.28Å; V31-V52 HydrophobicContact CB-CG2 4.45Å; V31-V52 HydrophobicContact CG1-CG2 3.84Å; V31-V52 HydrophobicContact CG2-CG2 3.79Å; L38-V52 HydrophobicContact CD2-CG2 4.41Å; N48-V52 WeakPolarHBondContact O-CG2 3.49Å; W49-V52 PolarHBondContact O-N 3.18Å; H50-V52 VanDerWaalsContact C-N 3.31Å; H50-V52 PolarHBondContact O-N 3.34Å; V52-T56 VanDerWaalsContact O-CB 3.26Å; V52-T56 WeakPolarHBondContact O-CB 3.31Å; V52-T56 PolarHBondContact O-N 2.86Å; V52-T56 PolarHBondContact O-OG1 2.89Å |
| 53 | L | 98.8 | Very high | 98.4 | Very high | 14 Ų | 14 | 20 Ų | 20 | 7% | 0.073 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -73.9 | -34 | -177.6 | -67.4 | 175.3 | 0 | 0 | 0 | 112.4 | W49 H50 G57 F96 I99 | W49-L53 HydrophobicContact CB-CD1 4.15Å; W49-L53 HydrophobicContact CE3-CD1 4.09Å; W49-L53 HydrophobicContact CE3-CD2 4.18Å; W49-L53 HydrophobicContact CE3-CG 3.98Å; W49-L53 HydrophobicContact CZ3-CD2 4.42Å; W49-L53 VanDerWaalsContact O-CB 3.29Å; W49-L53 WeakPolarHBondContact O-CB 3.26Å; W49-L53 VanDerWaalsContact O-CG 3.26Å; W49-L53 WeakPolarHBondContact O-CG 3.27Å; W49-L53 PolarHBondContact O-N 3.39Å; H50-L53 PolarHBondContact O-N 2.85Å; L53-G57 WeakPolarHBondContact O-CA 3.1Å; L53-G57 PolarHBondContact O-N 2.86Å; L53-F96 HydrophobicContact CB-CB 4.36Å; L53-F96 HydrophobicContact CD2-CB 4.39Å; L53-F96 HydrophobicContact CD2-CD2 4.1Å; L53-F96 HydrophobicContact CD2-CG 4.1Å; L53-I99 HydrophobicContact CD1-CB 3.92Å; L53-I99 HydrophobicContact CD1-CG2 3.52Å |
| 54 | I | 98.8 | Very high | 98.5 | Very high | 23 Ų | 23 | 21.3 Ų | 21.3 | 12% | 0.118 | 10% | 0.102 | C | C | . | . | I | π-helix | trans | -64.7 | -49.4 | 173 | -67.7 | -55.9 | 0 | 0 | 0 | 110.8 | H50 T56 F58 I59 A97 S100 A174 | H50-I54 WeakPolarHBondContact O-CG1 3.38Å; H50-I54 PolarHBondContact O-N 3.48Å; I54-T56 VanDerWaalsContact C-N 3.35Å; I54-T56 PolarHBondContact O-N 3.41Å; I54-F58 HydrophobicContact CD1-CB 4.33Å; I54-F58 HydrophobicContact CD1-CD1 4.47Å; I54-F58 HydrophobicContact CG2-CB 4.43Å; I54-F58 CarbonylContact O-C 3.51Å; I54-F58 WeakPolarHBondContact O-CA 3.41Å; I54-F58 PolarHBondContact O-N 3.36Å; I54-I59 HydrophobicContact CG2-CD1 4.29Å; I54-I59 PolarHBondContact O-N 3.41Å; I54-A97 HydrophobicContact CD1-CB 4.48Å; I54-S100 VanDerWaalsContact CG1-OG 3.31Å; I54-S100 WeakPolarHBondContact CG1-OG 3.41Å; I54-A174 HydrophobicContact CG2-CB 4.42Å |
| 55 | V | 98.9 | Very high | 98.6 | Very high | 6 Ų | 6 | 16.2 Ų | 16.2 | 4% | 0.036 | 8% | 0.08 | C | C | . | . | I | π-helix | trans | -64.1 | -41.8 | -179.7 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | I24 V27 P51 I59 F60 I208 | I24-V55 HydrophobicContact CG1-CG1 4.37Å; V27-V55 HydrophobicContact CB-CB 4.38Å; V27-V55 HydrophobicContact CB-CG1 4.4Å; V27-V55 HydrophobicContact CB-CG2 4.33Å; V27-V55 HydrophobicContact CG1-CB 4.02Å; V27-V55 HydrophobicContact CG1-CG1 3.98Å; V27-V55 HydrophobicContact CG2-CG2 4.21Å; P51-V55 WeakPolarHBondContact O-CB 3.29Å; P51-V55 VanDerWaalsContact O-CG2 3.27Å; P51-V55 WeakPolarHBondContact O-CG2 3.45Å; P51-V55 PolarHBondContact O-N 3.49Å; V55-I59 HydrophobicContact CG2-CD1 4.27Å; V55-I59 WeakPolarHBondContact O-CB 3.32Å; V55-F60 WeakPolarHBondContact O-CB 3.37Å; V55-F60 PolarHBondContact O-N 2.98Å; V55-I208 HydrophobicContact CG2-CD1 3.94Å |
| 56 | T | 98.8 | Very high | 98.6 | Very high | 28 Ų | 28 | 17.2 Ų | 17.2 | 17% | 0.172 | 8% | 0.083 | C | C | . | . | I | π-helix | trans | -73.2 | -52.8 | -178.6 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | I24 V52 I54 F60 M61 F96 | I24-T56 HydrophobicContact CD1-CG2 4.14Å; V52-T56 VanDerWaalsContact O-CB 3.26Å; V52-T56 WeakPolarHBondContact O-CB 3.31Å; V52-T56 PolarHBondContact O-N 2.86Å; V52-T56 PolarHBondContact O-OG1 2.89Å; I54-T56 VanDerWaalsContact C-N 3.35Å; I54-T56 PolarHBondContact O-N 3.41Å; T56-F60 WeakPolarHBondContact O-CB 3.43Å; T56-M61 VanDerWaalsContact O-CG 3.24Å; T56-M61 WeakPolarHBondContact O-CG 3.05Å; T56-M61 PolarHBondContact O-N 3.3Å; T56-F96 HydrophobicContact CG2-CD2 4.27Å; T56-F96 HydrophobicContact CG2-CE2 3.86Å |
| 57 | G | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.083 | C | C | . | . | I | π-helix | trans | -84 | -64.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L53 I59 M61 Q62 A93 | L53-G57 WeakPolarHBondContact O-CA 3.1Å; L53-G57 PolarHBondContact O-N 2.86Å; G57-I59 PolarHBondContact O-N 3.48Å; G57-M61 WeakPolarHBondContact O-CB 3.5Å; G57-M61 PolarHBondContact O-N 3.41Å; G57-Q62 PolarHBondContact O-N 3.16Å; G57-A93 VanDerWaalsContact O-CB 3.28Å; G57-A93 WeakPolarHBondContact O-CB 3.46Å |
| 58 | F | 98.1 | Very high | 98.6 | Very high | 4 Ų | 4 | 16.1 Ų | 16.1 | 2% | 0.018 | 8% | 0.079 | C | C | . | . | I | π-helix | trans | -76.9 | -19.8 | -169.6 | -118.2 | -145.1 | 0 | 0 | 0 | 114 | I54 Q62 A93 A97 V128 Y131 V170 | I54-F58 HydrophobicContact CD1-CB 4.33Å; I54-F58 HydrophobicContact CD1-CD1 4.47Å; I54-F58 HydrophobicContact CG2-CB 4.43Å; I54-F58 CarbonylContact O-C 3.51Å; I54-F58 WeakPolarHBondContact O-CA 3.41Å; I54-F58 PolarHBondContact O-N 3.36Å; F58-Q62 VanDerWaalsContact O-CB 3.31Å; F58-Q62 WeakPolarHBondContact O-CB 3.14Å; F58-Q62 PolarHBondContact O-OE1 2.86Å; F58-A93 HydrophobicContact CD2-CB 4.38Å; F58-A93 WeakPolarHBondContact CD2-O 3.5Å; F58-A97 HydrophobicContact CD1-CB 3.98Å; F58-A97 HydrophobicContact CD2-CB 3.48Å; F58-A97 VanDerWaalsContact CD2-CB 3.48Å; F58-A97 HydrophobicContact CE1-CB 3.94Å; F58-A97 HydrophobicContact CE2-CB 3.44Å; F58-A97 VanDerWaalsContact CE2-CB 3.44Å; F58-A97 HydrophobicContact CG-CB 3.77Å; F58-A97 HydrophobicContact CZ-CB 3.67Å; F58-V128 HydrophobicContact CE1-CG2 3.6Å; F58-V128 HydrophobicContact CZ-CG2 3.99Å; F58-Y131 AromaticContact CE2-CD1 3.76Å; F58-Y131 HydrophobicContact CE2-CD1 3.76Å; F58-Y131 AromaticContact CE2-CD2 3.97Å; F58-Y131 HydrophobicContact CE2-CD2 3.97Å; F58-Y131 AromaticContact CE2-CE1 3.85Å; F58-Y131 HydrophobicContact CE2-CE1 3.85Å; F58-Y131 HydrophobicContact CE2-CE2 4.06Å; F58-Y131 AromaticContact CE2-CG 3.79Å; F58-Y131 HydrophobicContact CE2-CG 3.79Å; F58-Y131 AromaticContact CE2-CZ 3.95Å; F58-Y131 AromaticContact CZ-CD1 3.89Å; F58-Y131 HydrophobicContact CZ-CD1 3.89Å; F58-Y131 AromaticContact CZ-CD2 3.95Å; F58-Y131 HydrophobicContact CZ-CD2 3.95Å; F58-Y131 HydrophobicContact CZ-CE1 4.44Å; F58-Y131 HydrophobicContact CZ-CE2 4.49Å; F58-Y131 AromaticContact CZ-CG 3.59Å; F58-Y131 HydrophobicContact CZ-CG 3.59Å; F58-V170 HydrophobicContact CB-CG1 3.97Å; F58-V170 HydrophobicContact CD1-CB 4.47Å; F58-V170 HydrophobicContact CD1-CG1 3.94Å; F58-V170 HydrophobicContact CD1-CG2 3.59Å; F58-V170 HydrophobicContact CE1-CG2 3.87Å; F58-V170 HydrophobicContact CG-CG1 4.32Å; F58-V170 HydrophobicContact CG-CG2 4.45Å |
| 59 | I | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.015 | 9% | 0.089 | C | C | . | . | I | π-helix | trans | -99 | -68.1 | 170.7 | -66.2 | 166 | 0 | 0 | 0 | 109.8 | I54 V55 G57 G63 F167 V170 A174 I208 F211 | I54-I59 HydrophobicContact CG2-CD1 4.29Å; I54-I59 PolarHBondContact O-N 3.41Å; V55-I59 HydrophobicContact CG2-CD1 4.27Å; V55-I59 WeakPolarHBondContact O-CB 3.32Å; G57-I59 PolarHBondContact O-N 3.48Å; I59-G63 PolarHBondContact O-N 2.91Å; I59-F167 WeakPolarHBondContact O-CE2 3.37Å; I59-V170 HydrophobicContact CG1-CG1 3.92Å; I59-A174 HydrophobicContact CD1-CB 3.65Å; I59-I208 HydrophobicContact CD1-CD1 4.13Å; I59-I208 HydrophobicContact CD1-CG1 4.32Å; I59-I208 HydrophobicContact CD1-CG2 3.76Å; I59-I208 HydrophobicContact CG2-CG2 4.33Å; I59-F211 HydrophobicContact CG2-CD1 3.59Å; I59-F211 HydrophobicContact CG2-CE1 3.7Å; I59-F211 WeakPolarHBondContact O-CE1 3.29Å |
| 60 | F | 98.8 | Very high | 98.3 | Very high | 24 Ų | 24 | 16.5 Ų | 16.5 | 11% | 0.105 | 8% | 0.081 | C | C | . | . | I | π-helix | trans | -66.9 | -56.9 | -170.1 | 176.8 | -107.4 | 0 | 0 | 0 | 112.7 | F21 I24 V55 T56 Q62 G63 I64 F211 | F21-F60 HydrophobicContact CD2-CE2 4.4Å; F21-F60 AromaticContact CD2-CZ 3.99Å; F21-F60 HydrophobicContact CD2-CZ 3.99Å; F21-F60 HydrophobicContact CE1-CZ 4.49Å; F21-F60 AromaticContact CE2-CZ 3.78Å; F21-F60 HydrophobicContact CE2-CZ 3.78Å; F21-F60 HydrophobicContact CG-CZ 4.43Å; F21-F60 HydrophobicContact CZ-CE1 4.35Å; F21-F60 HydrophobicContact CZ-CZ 4.04Å; I24-F60 HydrophobicContact CD1-CB 3.98Å; I24-F60 HydrophobicContact CD1-CD1 3.6Å; I24-F60 HydrophobicContact CD1-CD2 4.49Å; I24-F60 HydrophobicContact CD1-CE1 4.16Å; I24-F60 HydrophobicContact CD1-CG 3.77Å; V55-F60 WeakPolarHBondContact O-CB 3.37Å; V55-F60 PolarHBondContact O-N 2.98Å; T56-F60 WeakPolarHBondContact O-CB 3.43Å; F60-Q62 PolarHBondContact O-N 3.27Å; F60-G63 PolarHBondContact O-N 3.35Å; F60-I64 HydrophobicContact CD2-CG1 4.45Å; F60-I64 HydrophobicContact CE1-CG1 4.48Å; F60-I64 HydrophobicContact CE2-CD1 4.27Å; F60-I64 HydrophobicContact CE2-CG1 4.15Å; F60-I64 HydrophobicContact CZ-CG1 4.18Å; F60-I64 WeakPolarHBondContact O-CG1 3.45Å; F60-I64 PolarHBondContact O-N 2.86Å; F60-F211 AromaticContact CD2-CE2 3.93Å; F60-F211 HydrophobicContact CD2-CE2 3.93Å; F60-F211 HydrophobicContact CD2-CZ 4.03Å; F60-F211 HydrophobicContact CE2-CE2 4.45Å |
| 61 | M | 98.6 | Very high | 98 | Very high | 27 Ų | 27 | 16.9 Ų | 16.9 | 13% | 0.133 | 8% | 0.084 | C | C | . | . | I | π-helix | trans | -66.1 | -42.2 | -176.2 | -64.6 | 173.5 | 71.6 | 0 | 0 | 112.6 | T56 G57 G63 I64 A65 L89 L92 A93 F96 | T56-M61 VanDerWaalsContact O-CG 3.24Å; T56-M61 WeakPolarHBondContact O-CG 3.05Å; T56-M61 PolarHBondContact O-N 3.3Å; G57-M61 WeakPolarHBondContact O-CB 3.5Å; G57-M61 PolarHBondContact O-N 3.41Å; M61-G63 VanDerWaalsContact C-N 3.32Å; M61-G63 PolarHBondContact O-N 3.47Å; M61-I64 PolarHBondContact O-N 3.25Å; M61-A65 WeakPolarHBondContact O-CB 3.34Å; M61-A65 PolarHBondContact O-N 2.9Å; M61-L89 HydrophobicContact CE-CD2 4.49Å; M61-L92 HydrophobicContact CE-CB 3.81Å; M61-L92 HydrophobicContact CE-CD2 3.31Å; M61-L92 HydrophobicContact CE-CG 3.38Å; M61-L92 HydrophobicContact SD-CG 4.43Å; M61-A93 HydrophobicContact CB-CB 4.27Å; M61-F96 HydrophobicContact SD-CD2 4.17Å; M61-F96 HydrophobicContact SD-CE2 3.87Å |
| 62 | Q | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 17 Ų | 17 | 1% | 0.014 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.3 | -46 | 171.8 | -178.7 | -179 | -2.1 | 0 | 0 | 111 | G57 F58 F60 I64 A65 I66 A93 Y131 F167 | G57-Q62 PolarHBondContact O-N 3.16Å; F58-Q62 VanDerWaalsContact O-CB 3.31Å; F58-Q62 WeakPolarHBondContact O-CB 3.14Å; F58-Q62 PolarHBondContact O-OE1 2.86Å; F60-Q62 PolarHBondContact O-N 3.27Å; Q62-I64 VanDerWaalsContact C-N 3.35Å; Q62-I64 PolarHBondContact O-N 3.14Å; Q62-A65 WeakPolarHBondContact O-CB 3.28Å; Q62-A65 PolarHBondContact O-N 3.49Å; Q62-A65 VanDerWaalsContact O-N 3.09Å; Q62-I66 HydrophobicContact CG-CD1 4.12Å; Q62-I66 WeakPolarHBondContact O-CG1 3.24Å; Q62-I66 PolarHBondContact O-N 3.49Å; Q62-A93 HydrophobicContact CB-CB 4.44Å; Q62-Y131 VanDerWaalsContact CD-CE2 3.4Å; Q62-Y131 HydrophobicContact CG-CE2 3.84Å; Q62-F167 HydrophobicContact CG-CD2 4.1Å |
| 63 | G | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.3 | -44.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I59 F60 M61 I66 V67 | I59-G63 PolarHBondContact O-N 2.91Å; F60-G63 PolarHBondContact O-N 3.35Å; M61-G63 VanDerWaalsContact C-N 3.32Å; M61-G63 PolarHBondContact O-N 3.47Å; G63-I66 PolarHBondContact O-N 3.39Å; G63-V67 PolarHBondContact O-N 3.4Å |
| 64 | I | 98.6 | Very high | 96.9 | Very high | 39 Ų | 39 | 23 Ų | 23 | 20% | 0.2 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.8 | -41.1 | 174 | -61.5 | -56.9 | 0 | 0 | 0 | 111.3 | V17 F60 M61 Q62 I66 V67 V68 L89 | V17-I64 HydrophobicContact CG2-CD1 4.04Å; F60-I64 HydrophobicContact CD2-CG1 4.45Å; F60-I64 HydrophobicContact CE1-CG1 4.48Å; F60-I64 HydrophobicContact CE2-CD1 4.27Å; F60-I64 HydrophobicContact CE2-CG1 4.15Å; F60-I64 HydrophobicContact CZ-CG1 4.18Å; F60-I64 WeakPolarHBondContact O-CG1 3.45Å; F60-I64 PolarHBondContact O-N 2.86Å; M61-I64 PolarHBondContact O-N 3.25Å; Q62-I64 VanDerWaalsContact C-N 3.35Å; Q62-I64 PolarHBondContact O-N 3.14Å; I64-I66 VanDerWaalsContact C-N 3.3Å; I64-I66 PolarHBondContact O-N 3.31Å; I64-V67 PolarHBondContact O-N 2.94Å; I64-V68 PolarHBondContact O-N 3.39Å; I64-L89 HydrophobicContact CG2-CD1 4.28Å |
| 65 | A | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.8 | -36.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M61 Q62 V67 V68 H86 L89 N90 | M61-A65 WeakPolarHBondContact O-CB 3.34Å; M61-A65 PolarHBondContact O-N 2.9Å; Q62-A65 WeakPolarHBondContact O-CB 3.28Å; Q62-A65 PolarHBondContact O-N 3.49Å; Q62-A65 VanDerWaalsContact O-N 3.09Å; A65-V67 VanDerWaalsContact C-N 3.34Å; A65-V67 PolarHBondContact O-N 3.14Å; A65-V68 VanDerWaalsContact O-CG1 3.27Å; A65-V68 WeakPolarHBondContact O-CG1 3.36Å; A65-H86 PolarHBondContact O-ND1 2.96Å; A65-L89 HydrophobicContact CB-CB 3.61Å; A65-L89 HydrophobicContact CB-CD1 4.18Å; A65-N90 WeakPolarHBondContact CB-ND2 3.49Å |
| 66 | I | 98.6 | Very high | 95.7 | Very high | 31 Ų | 31 | 31.7 Ų | 31.7 | 16% | 0.159 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.6 | -41 | 177 | -72.1 | 166.8 | 0 | 0 | 0 | 111.2 | Q62 G63 I64 L164 F167 I215 A219 | Q62-I66 HydrophobicContact CG-CD1 4.12Å; Q62-I66 WeakPolarHBondContact O-CG1 3.24Å; Q62-I66 PolarHBondContact O-N 3.49Å; G63-I66 PolarHBondContact O-N 3.39Å; I64-I66 VanDerWaalsContact C-N 3.3Å; I64-I66 PolarHBondContact O-N 3.31Å; I66-L164 HydrophobicContact CG2-CD2 3.8Å; I66-F167 HydrophobicContact CD1-CB 3.58Å; I66-F167 HydrophobicContact CD1-CD1 3.91Å; I66-F167 HydrophobicContact CD1-CD2 3.89Å; I66-F167 HydrophobicContact CD1-CG 3.51Å; I66-I215 HydrophobicContact CB-CG2 4.44Å; I66-I215 HydrophobicContact CG2-CG2 4.29Å; I66-A219 HydrophobicContact CG2-CB 3.75Å |
| 67 | V | 98.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -95.4 | -2 | -175.2 | -59.1 | 0 | 0 | 0 | 0 | 113.9 | G63 I64 A65 Y69 R70 I215 I218 A219 | G63-V67 PolarHBondContact O-N 3.4Å; I64-V67 PolarHBondContact O-N 2.94Å; A65-V67 VanDerWaalsContact C-N 3.34Å; A65-V67 PolarHBondContact O-N 3.14Å; V67-Y69 VanDerWaalsContact C-N 3.26Å; V67-Y69 PolarHBondContact O-N 2.83Å; V67-Y69 VanDerWaalsContact O-N 3.14Å; V67-R70 WeakPolarHBondContact O-CA 3.28Å; V67-R70 VanDerWaalsContact O-CB 3.27Å; V67-R70 WeakPolarHBondContact O-CB 3.35Å; V67-R70 PolarHBondContact O-N 2.86Å; V67-I215 HydrophobicContact CG1-CD1 4.21Å; V67-I215 HydrophobicContact CG1-CG2 4.1Å; V67-I215 HydrophobicContact CG2-CD1 4.13Å; V67-I218 HydrophobicContact CB-CG2 3.9Å; V67-I218 HydrophobicContact CG1-CB 3.92Å; V67-I218 HydrophobicContact CG1-CG2 3.62Å; V67-A219 HydrophobicContact CG1-CB 4.33Å |
| 68 | V | 97.5 | Very high | 95 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -58.9 | -32.7 | -172 | 79.4 | 0 | 0 | 0 | 0 | 114.2 | I64 A65 R70 L71 M82 I85 H86 L89 | I64-V68 PolarHBondContact O-N 3.39Å; A65-V68 VanDerWaalsContact O-CG1 3.27Å; A65-V68 WeakPolarHBondContact O-CG1 3.36Å; V68-R70 PolarHBondContact O-N 3.28Å; V68-L71 HydrophobicContact CG2-CD1 4.2Å; V68-L71 WeakPolarHBondContact O-CG 3.49Å; V68-M82 HydrophobicContact CG1-CE 4.44Å; V68-M82 HydrophobicContact CG2-CE 3.68Å; V68-I85 HydrophobicContact CG2-CG2 3.79Å; V68-H86 HydrophobicContact CG1-CB 3.82Å; V68-L89 HydrophobicContact CG2-CD1 4.36Å |
| 69 | Y | 95.8 | Very high | 94.6 | Very high | 57 Ų | 57 | 40 Ų | 40 | 22% | 0.224 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -72.9 | -16.8 | 175.7 | -77.2 | -78.7 | 0 | 0 | 0 | 113.7 | V67 W75 M82 K83 H86 R226 | V67-Y69 VanDerWaalsContact C-N 3.26Å; V67-Y69 PolarHBondContact O-N 2.83Å; V67-Y69 VanDerWaalsContact O-N 3.14Å; Y69-W75 PolarHBondContact O-NE1 2.88Å; Y69-M82 HydrophobicContact CD1-CB 3.91Å; Y69-M82 HydrophobicContact CE1-CB 3.49Å; Y69-M82 VanDerWaalsContact CE1-CB 3.49Å; Y69-K83 WeakPolarHBondContact OH-CA 3.35Å; Y69-K83 WeakPolarHBondContact OH-CG 3.48Å; Y69-K83 PolarHBondContact OH-N 2.98Å; Y69-H86 HydrophobicContact CD2-CB 4.4Å; Y69-H86 HydrophobicContact CE2-CB 3.58Å; Y69-H86 AromaticContact CE2-CG 3.66Å; Y69-H86 AromaticContact CE2-ND1 3.96Å; Y69-R226 WeakPolarHBondContact O-CB 3.29Å |
| 70 | R | 95.1 | Very high | 94.3 | Very high | 34 Ų | 34 | 44 Ų | 44 | 13% | 0.128 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -87.8 | -9.7 | -176.3 | -59 | -179.4 | 161.5 | -85.4 | 5.3 | 112.3 | M3 F9 V67 V68 P72 I218 A219 R221 W224 K225 | M3-R70 VanDerWaalsContact CE-O 3.24Å; M3-R70 WeakPolarHBondContact CE-O 3.22Å; F9-R70 HydrophobicContact CE2-CB 4.16Å; F9-R70 WeakPolarHBondContact CZ-O 3.47Å; V67-R70 WeakPolarHBondContact O-CA 3.28Å; V67-R70 VanDerWaalsContact O-CB 3.27Å; V67-R70 WeakPolarHBondContact O-CB 3.35Å; V67-R70 PolarHBondContact O-N 2.86Å; V68-R70 PolarHBondContact O-N 3.28Å; R70-P72 VanDerWaalsContact O-CD 3.23Å; R70-P72 WeakPolarHBondContact O-CD 3.46Å; R70-I218 HydrophobicContact CB-CG2 4.44Å; R70-I218 WeakPolarHBondContact CD-O 3.31Å; R70-I218 PolarHBondContact NE-O 2.9Å; R70-I218 PolarHBondContact NH1-O 3.14Å; R70-A219 PolarHBondContact NE-O 3.27Å; R70-A219 PolarHBondContact NH2-O 3.38Å; R70-R221 PolarHBondContact NH1-O 3.05Å; R70-W224 WeakPolarHBondContact CB-O 3.3Å; R70-W224 WeakPolarHBondContact CG-O 3.27Å; R70-W224 PolarHBondContact NH1-O 3.43Å; R70-K225 VanDerWaalsContact NH1-N 3.18Å |
| 71 | L | 94 | Very high | 94.1 | Very high | 28 Ų | 28 | 46.9 Ų | 46.9 | 15% | 0.147 | 23% | 0.226 | C | C | . | . | trans | -62.4 | 112.9 | 176.3 | -58.4 | -178.6 | 0 | 0 | 0 | 110.5 | F9 L13 V68 W73 T74 W75 | F9-L71 HydrophobicContact CE1-CD2 4.46Å; F9-L71 HydrophobicContact CZ-CD2 4.04Å; L13-L71 HydrophobicContact CD1-CD2 4.14Å; L13-L71 HydrophobicContact CD2-CD2 3.57Å; V68-L71 HydrophobicContact CG2-CD1 4.2Å; V68-L71 WeakPolarHBondContact O-CG 3.49Å; L71-W73 VanDerWaalsContact C-N 3.3Å; L71-W73 HydrophobicContact CB-CD2 4.49Å; L71-W73 HydrophobicContact CB-CZ2 4.3Å; L71-W73 HydrophobicContact CD2-CH2 4.44Å; L71-W73 HydrophobicContact CD2-CZ2 3.79Å; L71-W73 HydrophobicContact CG-CZ2 4.43Å; L71-W73 PolarHBondContact O-N 3.45Å; L71-T74 HydrophobicContact CB-CG2 3.76Å; L71-T74 HydrophobicContact CD1-CG2 4.13Å; L71-T74 PolarHBondContact O-N 2.76Å; L71-T74 PolarHBondContact O-OG1 3.04Å; L71-W75 VanDerWaalsContact O-CD1 3.22Å; L71-W75 PolarHBondContact O-NE1 2.98Å | ||
| 72 | P | 90.4 | Very high | 94 | Very high | 20 Ų | 20 | 45.7 Ų | 45.7 | 13% | 0.13 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -64.8 | -31.6 | -172.3 | 16.8 | -25.1 | 0 | 0 | 0 | 113.8 | M3 F6 F9 R70 T74 W75 | M3-P72 HydrophobicContact CB-CB 4.12Å; M3-P72 HydrophobicContact CE-CB 3.77Å; M3-P72 HydrophobicContact CE-CG 3.6Å; M3-P72 HydrophobicContact SD-CB 4.25Å; M3-P72 HydrophobicContact SD-CG 3.85Å; F6-P72 HydrophobicContact CD2-CB 4.45Å; F6-P72 HydrophobicContact CD2-CG 3.8Å; F6-P72 HydrophobicContact CE2-CB 4.41Å; F6-P72 HydrophobicContact CE2-CG 3.59Å; F9-P72 HydrophobicContact CD1-CG 4.08Å; F9-P72 HydrophobicContact CE1-CG 3.96Å; R70-P72 VanDerWaalsContact O-CD 3.23Å; R70-P72 WeakPolarHBondContact O-CD 3.46Å; P72-T74 PolarHBondContact O-N 3.48Å; P72-W75 HydrophobicContact CB-CD2 4.3Å; P72-W75 HydrophobicContact CB-CE3 4.4Å; P72-W75 HydrophobicContact CB-CH2 4.49Å; P72-W75 HydrophobicContact CB-CZ2 4.36Å; P72-W75 HydrophobicContact CB-CZ3 4.49Å; P72-W75 WeakPolarHBondContact O-CB 3.26Å; P72-W75 PolarHBondContact O-N 3.23Å |
| 73 | W | 90.5 | Very high | 93.9 | Very high | 134 Ų | 134 | 47.9 Ų | 47.9 | 51% | 0.508 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -67.6 | -15.6 | 174.6 | 46.2 | 90 | 0 | 0 | 0 | 113.4 | F6 F9 L10 L13 L71 | F6-W73 HydrophobicContact CE2-CE3 4.42Å; F6-W73 HydrophobicContact CE2-CZ3 4.2Å; F6-W73 HydrophobicContact CZ-CZ3 4.49Å; F9-W73 HydrophobicContact CE1-CH2 4.17Å; F9-W73 HydrophobicContact CE1-CZ3 4.32Å; L10-W73 HydrophobicContact CD1-CH2 4.2Å; L10-W73 HydrophobicContact CD1-CZ3 4.28Å; L13-W73 HydrophobicContact CD2-CH2 3.57Å; L13-W73 HydrophobicContact CD2-CZ2 3.77Å; L71-W73 VanDerWaalsContact C-N 3.3Å; L71-W73 HydrophobicContact CB-CD2 4.49Å; L71-W73 HydrophobicContact CB-CZ2 4.3Å; L71-W73 HydrophobicContact CD2-CH2 4.44Å; L71-W73 HydrophobicContact CD2-CZ2 3.79Å; L71-W73 HydrophobicContact CG-CZ2 4.43Å; L71-W73 PolarHBondContact O-N 3.45Å |
| 74 | T | 91.1 | Very high | 93.8 | Very high | 14 Ų | 14 | 53.3 Ų | 53.3 | 9% | 0.086 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -94.4 | -4.2 | 176.3 | 75.6 | 0 | 0 | 0 | 0 | 113.4 | L71 P72 K76 C77 M82 | L71-T74 HydrophobicContact CB-CG2 3.76Å; L71-T74 HydrophobicContact CD1-CG2 4.13Å; L71-T74 PolarHBondContact O-N 2.76Å; L71-T74 PolarHBondContact O-OG1 3.04Å; P72-T74 PolarHBondContact O-N 3.48Å; T74-K76 VanDerWaalsContact C-N 3.26Å; T74-K76 PolarHBondContact O-N 3.31Å; T74-C77 VanDerWaalsContact O-CB 3.29Å; T74-C77 WeakPolarHBondContact O-CB 3.22Å; T74-C77 PolarHBondContact O-N 3.19Å; T74-M82 HydrophobicContact CG2-CE 4.24Å; T74-M82 HydrophobicContact CG2-SD 4.01Å |
| 75 | W | 87.5 | Confident | 93.7 | Very high | 12 Ų | 12 | 54.8 Ų | 54.8 | 5% | 0.045 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -30.4 | -176.5 | -69.4 | -2.5 | 0 | 0 | 0 | 113.3 | M3 Y69 L71 P72 R226 P227 | M3-W75 HydrophobicContact CB-CH2 3.7Å; M3-W75 HydrophobicContact CB-CZ3 3.97Å; M3-W75 HydrophobicContact CE-CH2 3.75Å; M3-W75 HydrophobicContact CE-CZ2 3.42Å; M3-W75 VanDerWaalsContact CE-CZ2 3.42Å; M3-W75 HydrophobicContact CG-CH2 3.91Å; Y69-W75 PolarHBondContact O-NE1 2.88Å; L71-W75 VanDerWaalsContact O-CD1 3.22Å; L71-W75 PolarHBondContact O-NE1 2.98Å; P72-W75 HydrophobicContact CB-CD2 4.3Å; P72-W75 HydrophobicContact CB-CE3 4.4Å; P72-W75 HydrophobicContact CB-CH2 4.49Å; P72-W75 HydrophobicContact CB-CZ2 4.36Å; P72-W75 HydrophobicContact CB-CZ3 4.49Å; P72-W75 WeakPolarHBondContact O-CB 3.26Å; P72-W75 PolarHBondContact O-N 3.23Å; W75-R226 HydrophobicContact CG-CG 4.47Å; W75-P227 VanDerWaalsContact CD2-CD 3.45Å; W75-P227 HydrophobicContact CD2-CG 4.09Å; W75-P227 HydrophobicContact CE3-CG 3.83Å; W75-P227 HydrophobicContact CZ3-CG 4.12Å |
| 76 | K | 86.1 | Confident | 93.7 | Very high | 199 Ų | 199 | 56.6 Ų | 56.6 | 87% | 0.865 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -12.2 | 173.6 | -65.2 | -171 | 178.6 | -175 | 0 | 113.5 | T74 | T74-K76 VanDerWaalsContact C-N 3.26Å; T74-K76 PolarHBondContact O-N 3.31Å |
| 77 | C | 88.9 | Confident | 93.7 | Very high | 45 Ų | 45 | 55.8 Ų | 55.8 | 30% | 0.304 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -74.6 | 158.7 | 178.3 | -60.2 | 0 | 0 | 0 | 0 | 111.6 | T74 K79 M81 R226 | T74-C77 VanDerWaalsContact O-CB 3.29Å; T74-C77 WeakPolarHBondContact O-CB 3.22Å; T74-C77 PolarHBondContact O-N 3.19Å; C77-K79 PolarHBondContact O-N 3.46Å; C77-M81 HydrophobicContact CB-CE 3.51Å; C77-R226 PolarHBondContact O-NH2 3.1Å |
| 78 | S | 92.2 | Very high | 93.7 | Very high | 70 Ų | 70 | 57.4 Ų | 57.4 | 49% | 0.49 | 29% | 0.285 | S | S | . | . | trans | -52.2 | 131.2 | 176.3 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | L80 M81 M82 | S78-L80 PolarHBondContact O-N 3.31Å; S78-L80 PolarHBondContact OG-N 3Å; S78-M81 WeakPolarHBondContact O-CB 3.5Å; S78-M81 PolarHBondContact O-N 3.19Å; S78-M81 PolarHBondContact OG-N 3.09Å; S78-M82 PolarHBondContact O-N 3.16Å; S78-M82 VanDerWaalsContact O-N 3.11Å | ||
| 79 | K | 89.9 | Confident | 93.7 | Very high | 91 Ų | 91 | 59.1 Ų | 59.1 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.8 | -35.6 | 175.5 | -171.8 | 176.7 | -178.4 | 178.9 | 0 | 111.4 | C77 M82 K83 E229 | C77-K79 PolarHBondContact O-N 3.46Å; K79-M82 PolarHBondContact O-N 3.46Å; K79-K83 WeakPolarHBondContact O-CG 3.36Å; K79-K83 PolarHBondContact O-N 3.31Å; K79-E229 WeakPolarHBondContact CB-OE1 3.03Å; K79-E229 HydrophobicContact CD-CG 4.38Å; K79-E229 WeakPolarHBondContact CD-OE1 3.5Å |
| 80 | L | 93.1 | Very high | 93.9 | Very high | 89 Ų | 89 | 57.2 Ų | 57.2 | 47% | 0.466 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 175.4 | -177.1 | 59.9 | 0 | 0 | 0 | 111.5 | S78 M82 K83 F84 L143 | S78-L80 PolarHBondContact O-N 3.31Å; S78-L80 PolarHBondContact OG-N 3Å; L80-M82 VanDerWaalsContact C-N 3.3Å; L80-M82 PolarHBondContact O-N 3.21Å; L80-K83 WeakPolarHBondContact O-CB 3.33Å; L80-K83 PolarHBondContact O-N 3.08Å; L80-K83 VanDerWaalsContact O-N 3.09Å; L80-F84 HydrophobicContact CD1-CD2 4.23Å; L80-F84 HydrophobicContact CD1-CE2 3.73Å; L80-F84 HydrophobicContact CD1-CZ 4.31Å; L80-F84 HydrophobicContact CD2-CE2 4.13Å; L80-F84 HydrophobicContact CG-CD2 4.02Å; L80-F84 HydrophobicContact CG-CE2 3.62Å; L80-F84 VanDerWaalsContact O-CD2 3.31Å; L80-F84 WeakPolarHBondContact O-CD2 3.28Å; L80-F84 PolarHBondContact O-N 3.35Å; L80-L143 HydrophobicContact CD1-CD1 4.28Å |
| 81 | M | 94.9 | Very high | 94 | Very high | 84 Ų | 84 | 59 Ų | 59 | 41% | 0.414 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.4 | -43.9 | 175.3 | -172.9 | -173.8 | 88.3 | 0 | 0 | 111.3 | C77 S78 K83 F84 I85 | C77-M81 HydrophobicContact CB-CE 3.51Å; S78-M81 WeakPolarHBondContact O-CB 3.5Å; S78-M81 PolarHBondContact O-N 3.19Å; S78-M81 PolarHBondContact OG-N 3.09Å; M81-K83 VanDerWaalsContact C-N 3.3Å; M81-K83 PolarHBondContact O-N 3.32Å; M81-F84 PolarHBondContact O-N 3.38Å; M81-F84 VanDerWaalsContact O-N 3.15Å; M81-I85 HydrophobicContact CE-CD1 4.13Å; M81-I85 HydrophobicContact CG-CD1 4.22Å; M81-I85 WeakPolarHBondContact O-CG1 3.37Å; M81-I85 PolarHBondContact O-N 3.36Å |
| 82 | M | 95.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.1 | -29.9 | 177.3 | -64.3 | -44.7 | -46.5 | 0 | 0 | 113.7 | V68 Y69 T74 S78 K79 L80 I85 H86 | V68-M82 HydrophobicContact CG1-CE 4.44Å; V68-M82 HydrophobicContact CG2-CE 3.68Å; Y69-M82 HydrophobicContact CD1-CB 3.91Å; Y69-M82 HydrophobicContact CE1-CB 3.49Å; Y69-M82 VanDerWaalsContact CE1-CB 3.49Å; T74-M82 HydrophobicContact CG2-CE 4.24Å; T74-M82 HydrophobicContact CG2-SD 4.01Å; S78-M82 PolarHBondContact O-N 3.16Å; S78-M82 VanDerWaalsContact O-N 3.11Å; K79-M82 PolarHBondContact O-N 3.46Å; L80-M82 VanDerWaalsContact C-N 3.3Å; L80-M82 PolarHBondContact O-N 3.21Å; M82-I85 HydrophobicContact CE-CB 4.11Å; M82-I85 HydrophobicContact CE-CD1 3.79Å; M82-I85 HydrophobicContact CE-CG2 4.29Å; M82-I85 PolarHBondContact O-N 3.24Å; M82-I85 HydrophobicContact SD-CD1 3.81Å; M82-H86 WeakPolarHBondContact O-CB 3.33Å; M82-H86 PolarHBondContact O-N 2.66Å |
| 83 | K | 95.7 | Very high | 94.6 | Very high | 48 Ų | 48 | 60.2 Ų | 60.2 | 21% | 0.209 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64 | -43.3 | 169.9 | -70.8 | 173.5 | 174.6 | -174.3 | 0 | 111.9 | Y69 K79 L80 M81 H86 A87 Y142 L143 | Y69-K83 WeakPolarHBondContact OH-CA 3.35Å; Y69-K83 WeakPolarHBondContact OH-CG 3.48Å; Y69-K83 PolarHBondContact OH-N 2.98Å; K79-K83 WeakPolarHBondContact O-CG 3.36Å; K79-K83 PolarHBondContact O-N 3.31Å; L80-K83 WeakPolarHBondContact O-CB 3.33Å; L80-K83 PolarHBondContact O-N 3.08Å; L80-K83 VanDerWaalsContact O-N 3.09Å; M81-K83 VanDerWaalsContact C-N 3.3Å; M81-K83 PolarHBondContact O-N 3.32Å; K83-H86 PolarHBondContact O-N 2.86Å; K83-A87 VanDerWaalsContact O-CB 3.26Å; K83-A87 WeakPolarHBondContact O-CB 3.41Å; K83-A87 PolarHBondContact O-N 3.09Å; K83-Y142 WeakPolarHBondContact CD-O 3.47Å; K83-Y142 VanDerWaalsContact CE-O 3.31Å; K83-Y142 WeakPolarHBondContact CE-O 3.47Å; K83-Y142 PolarHBondContact NZ-O 2.84Å; K83-L143 HydrophobicContact CB-CD1 3.65Å; K83-L143 HydrophobicContact CD-CD1 4.41Å |
| 84 | F | 97.3 | Very high | 95 | Very high | 115 Ų | 115 | 56.2 Ų | 56.2 | 50% | 0.504 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 175.5 | -76.4 | -61.2 | 0 | 0 | 0 | 112.4 | L80 M81 A87 G88 L143 | L80-F84 HydrophobicContact CD1-CD2 4.23Å; L80-F84 HydrophobicContact CD1-CE2 3.73Å; L80-F84 HydrophobicContact CD1-CZ 4.31Å; L80-F84 HydrophobicContact CD2-CE2 4.13Å; L80-F84 HydrophobicContact CG-CD2 4.02Å; L80-F84 HydrophobicContact CG-CE2 3.62Å; L80-F84 VanDerWaalsContact O-CD2 3.31Å; L80-F84 WeakPolarHBondContact O-CD2 3.28Å; L80-F84 PolarHBondContact O-N 3.35Å; M81-F84 PolarHBondContact O-N 3.38Å; M81-F84 VanDerWaalsContact O-N 3.15Å; F84-A87 PolarHBondContact O-N 3.31Å; F84-G88 PolarHBondContact O-N 3Å; F84-L143 HydrophobicContact CD1-CD1 4.08Å; F84-L143 HydrophobicContact CD1-CD2 4.16Å; F84-L143 HydrophobicContact CE1-CD1 3.99Å; F84-L143 HydrophobicContact CE1-CD2 3.91Å; F84-L143 HydrophobicContact CE1-CG 4.23Å; F84-L143 HydrophobicContact CG-CD1 4.47Å; F84-L143 HydrophobicContact CZ-CD1 4.3Å |
| 85 | I | 97.4 | Very high | 95.4 | Very high | 69 Ų | 69 | 59.2 Ų | 59.2 | 35% | 0.354 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.4 | -46.9 | 176.8 | -64.5 | 167.5 | 0 | 0 | 0 | 110.6 | V68 M81 M82 G88 L89 | V68-I85 HydrophobicContact CG2-CG2 3.79Å; M81-I85 HydrophobicContact CE-CD1 4.13Å; M81-I85 HydrophobicContact CG-CD1 4.22Å; M81-I85 WeakPolarHBondContact O-CG1 3.37Å; M81-I85 PolarHBondContact O-N 3.36Å; M82-I85 HydrophobicContact CE-CB 4.11Å; M82-I85 HydrophobicContact CE-CD1 3.79Å; M82-I85 HydrophobicContact CE-CG2 4.29Å; M82-I85 PolarHBondContact O-N 3.24Å; M82-I85 HydrophobicContact SD-CD1 3.81Å; I85-G88 PolarHBondContact O-N 3.09Å; I85-L89 HydrophobicContact CG2-CD1 4.01Å; I85-L89 HydrophobicContact CG2-CG 4.46Å; I85-L89 WeakPolarHBondContact O-CB 3.27Å; I85-L89 WeakPolarHBondContact O-CG 3.38Å; I85-L89 PolarHBondContact O-N 2.72Å |
| 86 | H | 98.3 | Very high | 95.9 | Very high | 38 Ų | 38 | 61 Ų | 61 | 18% | 0.176 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60 | -48.4 | 176.7 | 177.2 | 80.7 | 0 | 0 | 0 | 111.9 | A65 V68 Y69 M82 K83 N90 | A65-H86 PolarHBondContact O-ND1 2.96Å; V68-H86 HydrophobicContact CG1-CB 3.82Å; Y69-H86 HydrophobicContact CD2-CB 4.4Å; Y69-H86 HydrophobicContact CE2-CB 3.58Å; Y69-H86 AromaticContact CE2-CG 3.66Å; Y69-H86 AromaticContact CE2-ND1 3.96Å; M82-H86 WeakPolarHBondContact O-CB 3.33Å; M82-H86 PolarHBondContact O-N 2.66Å; K83-H86 PolarHBondContact O-N 2.86Å; H86-N90 PolarHBondContact CE1-ND2 3.03Å; H86-N90 VanDerWaalsContact CE1-ND2 3.26Å; H86-N90 PolarHBondContact ND1-ND2 3.34Å; H86-N90 PolarHBondContact NE2-ND2 2.88Å; H86-N90 PolarHBondContact O-N 3.17Å; H86-N90 VanDerWaalsContact O-N 3.13Å; H86-N90 PolarHBondContact O-ND2 2.88Å |
| 87 | A | 98.1 | Very high | 96.5 | Very high | 14 Ų | 14 | 51.5 Ų | 51.5 | 12% | 0.116 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K83 F84 L89 N90 I91 L143 | K83-A87 VanDerWaalsContact O-CB 3.26Å; K83-A87 WeakPolarHBondContact O-CB 3.41Å; K83-A87 PolarHBondContact O-N 3.09Å; F84-A87 PolarHBondContact O-N 3.31Å; A87-L89 PolarHBondContact O-N 2.85Å; A87-N90 PolarHBondContact O-N 2.86Å; A87-I91 WeakPolarHBondContact O-CB 3.35Å; A87-I91 VanDerWaalsContact O-CG1 3.23Å; A87-I91 WeakPolarHBondContact O-CG1 3.38Å; A87-I91 PolarHBondContact O-N 3.42Å; A87-L143 HydrophobicContact CB-CD2 4.5Å |
| 88 | G | 98.1 | Very high | 97 | Very high | 36 Ų | 36 | 52.2 Ų | 52.2 | 37% | 0.371 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | F84 I85 N90 I91 L92 | F84-G88 PolarHBondContact O-N 3Å; I85-G88 PolarHBondContact O-N 3.09Å; G88-N90 PolarHBondContact O-N 3.02Å; G88-I91 PolarHBondContact O-N 3.44Å; G88-L92 WeakPolarHBondContact O-CB 3.43Å; G88-L92 PolarHBondContact O-N 2.73Å |
| 89 | L | 98.4 | Very high | 97.3 | Very high | 43 Ų | 43 | 52 Ų | 52 | 23% | 0.225 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 175.1 | -73 | 171.4 | 0 | 0 | 0 | 111.9 | M61 I64 A65 V68 I85 A87 L92 A93 | M61-L89 HydrophobicContact CE-CD2 4.49Å; I64-L89 HydrophobicContact CG2-CD1 4.28Å; A65-L89 HydrophobicContact CB-CB 3.61Å; A65-L89 HydrophobicContact CB-CD1 4.18Å; V68-L89 HydrophobicContact CG2-CD1 4.36Å; I85-L89 HydrophobicContact CG2-CD1 4.01Å; I85-L89 HydrophobicContact CG2-CG 4.46Å; I85-L89 WeakPolarHBondContact O-CB 3.27Å; I85-L89 WeakPolarHBondContact O-CG 3.38Å; I85-L89 PolarHBondContact O-N 2.72Å; A87-L89 PolarHBondContact O-N 2.85Å; L89-L92 PolarHBondContact O-N 3.26Å; L89-A93 WeakPolarHBondContact O-CB 3.35Å; L89-A93 PolarHBondContact O-N 3.39Å |
| 90 | N | 98.6 | Very high | 97.7 | Very high | 16 Ų | 16 | 47.6 Ų | 47.6 | 9% | 0.086 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.6 | -36 | 178.6 | -76.9 | -80.5 | 0 | 0 | 0 | 112.6 | A65 H86 A87 G88 F94 Y131 L135 | A65-N90 WeakPolarHBondContact CB-ND2 3.49Å; H86-N90 PolarHBondContact CE1-ND2 3.03Å; H86-N90 VanDerWaalsContact CE1-ND2 3.26Å; H86-N90 PolarHBondContact ND1-ND2 3.34Å; H86-N90 PolarHBondContact NE2-ND2 2.88Å; H86-N90 PolarHBondContact O-N 3.17Å; H86-N90 VanDerWaalsContact O-N 3.13Å; H86-N90 PolarHBondContact O-ND2 2.88Å; A87-N90 PolarHBondContact O-N 2.86Å; G88-N90 PolarHBondContact O-N 3.02Å; N90-F94 WeakPolarHBondContact O-CB 3.34Å; N90-F94 PolarHBondContact O-N 3.37Å; N90-Y131 WeakPolarHBondContact CA-OH 3.4Å; N90-Y131 VanDerWaalsContact CB-OH 3.27Å; N90-Y131 WeakPolarHBondContact CB-OH 3.47Å; N90-Y131 WeakPolarHBondContact O-CE1 3.43Å; N90-Y131 PolarHBondContact O-OH 3.42Å; N90-Y131 PolarHBondContact OD1-OH 3.2Å; N90-L135 HydrophobicContact CB-CD1 3.81Å |
| 91 | I | 98.6 | Very high | 98 | Very high | 73 Ų | 73 | 45.2 Ų | 45.2 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.1 | -45.8 | 173.6 | -71.2 | 164.1 | 0 | 0 | 0 | 110 | A87 G88 A93 F94 I95 L135 | A87-I91 WeakPolarHBondContact O-CB 3.35Å; A87-I91 VanDerWaalsContact O-CG1 3.23Å; A87-I91 WeakPolarHBondContact O-CG1 3.38Å; A87-I91 PolarHBondContact O-N 3.42Å; G88-I91 PolarHBondContact O-N 3.44Å; I91-A93 PolarHBondContact O-N 3.39Å; I91-F94 WeakPolarHBondContact O-CB 3.47Å; I91-F94 PolarHBondContact O-N 2.87Å; I91-F94 VanDerWaalsContact O-N 3.13Å; I91-I95 HydrophobicContact CG2-CD1 3.99Å; I91-I95 WeakPolarHBondContact O-CG1 3.43Å; I91-I95 PolarHBondContact O-N 2.87Å; I91-L135 HydrophobicContact CG1-CD1 4.06Å; I91-L135 HydrophobicContact CG1-CD2 3.98Å; I91-L135 HydrophobicContact CG1-CG 4.4Å |
| 92 | L | 98.5 | Very high | 98.2 | Very high | 72 Ų | 72 | 44 Ų | 44 | 38% | 0.377 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.3 | -39.7 | -179.7 | -173 | 52 | 0 | 0 | 0 | 111.7 | M61 G88 L89 F94 I95 F96 | M61-L92 HydrophobicContact CE-CB 3.81Å; M61-L92 HydrophobicContact CE-CD2 3.31Å; M61-L92 HydrophobicContact CE-CG 3.38Å; M61-L92 HydrophobicContact SD-CG 4.43Å; G88-L92 WeakPolarHBondContact O-CB 3.43Å; G88-L92 PolarHBondContact O-N 2.73Å; L89-L92 PolarHBondContact O-N 3.26Å; L92-F94 VanDerWaalsContact C-N 3.31Å; L92-F94 PolarHBondContact O-N 3.3Å; L92-I95 PolarHBondContact O-N 3.09Å; L92-F96 HydrophobicContact CD1-CD1 4.29Å; L92-F96 HydrophobicContact CD1-CE1 3.84Å; L92-F96 HydrophobicContact CD1-CZ 4.43Å; L92-F96 HydrophobicContact CG-CE1 4.45Å; L92-F96 PolarHBondContact O-N 2.91Å; L92-F96 VanDerWaalsContact O-N 3.12Å |
| 93 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60 | -39.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G57 F58 M61 Q62 L89 I91 F96 A97 | G57-A93 VanDerWaalsContact O-CB 3.28Å; G57-A93 WeakPolarHBondContact O-CB 3.46Å; F58-A93 HydrophobicContact CD2-CB 4.38Å; F58-A93 WeakPolarHBondContact CD2-O 3.5Å; M61-A93 HydrophobicContact CB-CB 4.27Å; Q62-A93 HydrophobicContact CB-CB 4.44Å; L89-A93 WeakPolarHBondContact O-CB 3.35Å; L89-A93 PolarHBondContact O-N 3.39Å; I91-A93 PolarHBondContact O-N 3.39Å; A93-F96 PolarHBondContact O-N 3.42Å; A93-A97 PolarHBondContact O-N 3.49Å |
| 94 | F | 98.7 | Very high | 98.4 | Very high | 51 Ų | 51 | 42.6 Ų | 42.6 | 22% | 0.224 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64 | -45 | 175.5 | -175.3 | -117.8 | 0 | 0 | 0 | 112.6 | N90 I91 L92 F96 A97 V98 V128 Y131 S132 L135 | N90-F94 WeakPolarHBondContact O-CB 3.34Å; N90-F94 PolarHBondContact O-N 3.37Å; I91-F94 WeakPolarHBondContact O-CB 3.47Å; I91-F94 PolarHBondContact O-N 2.87Å; I91-F94 VanDerWaalsContact O-N 3.13Å; L92-F94 VanDerWaalsContact C-N 3.31Å; L92-F94 PolarHBondContact O-N 3.3Å; F94-F96 VanDerWaalsContact C-N 3.26Å; F94-F96 PolarHBondContact O-N 3.34Å; F94-A97 PolarHBondContact O-N 3Å; F94-A97 VanDerWaalsContact O-N 3.13Å; F94-V98 HydrophobicContact CD1-CG2 4.23Å; F94-V98 HydrophobicContact CD2-CG2 4.33Å; F94-V98 HydrophobicContact CE1-CG2 3.81Å; F94-V98 HydrophobicContact CE2-CG2 3.89Å; F94-V98 HydrophobicContact CG-CG2 4.48Å; F94-V98 HydrophobicContact CZ-CG2 3.62Å; F94-V98 WeakPolarHBondContact O-CG2 3.44Å; F94-V98 PolarHBondContact O-N 3.43Å; F94-V128 HydrophobicContact CE2-CG1 4.08Å; F94-Y131 HydrophobicContact CB-CD1 4.31Å; F94-Y131 HydrophobicContact CB-CE1 3.88Å; F94-Y131 AromaticContact CD2-CD1 3.9Å; F94-Y131 HydrophobicContact CD2-CD1 3.9Å; F94-Y131 HydrophobicContact CD2-CE1 4.33Å; F94-Y131 HydrophobicContact CG-CD1 4.47Å; F94-Y131 HydrophobicContact CG-CE1 4.49Å; F94-S132 WeakPolarHBondContact CE2-OG 3.47Å; F94-S132 VanDerWaalsContact CZ-OG 3.27Å; F94-S132 WeakPolarHBondContact CZ-OG 3.44Å; F94-L135 HydrophobicContact CB-CD2 4.16Å; F94-L135 HydrophobicContact CD1-CD2 4.34Å; F94-L135 HydrophobicContact CG-CD2 4.28Å |
| 95 | I | 98.8 | Very high | 98.5 | Very high | 76 Ų | 76 | 40.3 Ų | 40.3 | 39% | 0.39 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -56.5 | -45.1 | 176.6 | -69.4 | 166.4 | 0 | 0 | 0 | 110 | I91 L92 A97 V98 I99 | I91-I95 HydrophobicContact CG2-CD1 3.99Å; I91-I95 WeakPolarHBondContact O-CG1 3.43Å; I91-I95 PolarHBondContact O-N 2.87Å; L92-I95 PolarHBondContact O-N 3.09Å; I95-A97 PolarHBondContact O-N 3.16Å; I95-V98 PolarHBondContact O-N 2.92Å; I95-I99 HydrophobicContact CG2-CD1 3.77Å; I95-I99 HydrophobicContact CG2-CG1 4.47Å; I95-I99 VanDerWaalsContact O-CG1 3.31Å; I95-I99 WeakPolarHBondContact O-CG1 3.33Å; I95-I99 PolarHBondContact O-N 3.34Å |
| 96 | F | 98.8 | Very high | 98.5 | Very high | 50 Ų | 50 | 40 Ų | 40 | 22% | 0.219 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.9 | -42.2 | 177.7 | -77.5 | 17.4 | 0 | 0 | 0 | 111.8 | L53 T56 M61 L92 A93 F94 I99 S100 | L53-F96 HydrophobicContact CB-CB 4.36Å; L53-F96 HydrophobicContact CD2-CB 4.39Å; L53-F96 HydrophobicContact CD2-CD2 4.1Å; L53-F96 HydrophobicContact CD2-CG 4.1Å; T56-F96 HydrophobicContact CG2-CD2 4.27Å; T56-F96 HydrophobicContact CG2-CE2 3.86Å; M61-F96 HydrophobicContact SD-CD2 4.17Å; M61-F96 HydrophobicContact SD-CE2 3.87Å; L92-F96 HydrophobicContact CD1-CD1 4.29Å; L92-F96 HydrophobicContact CD1-CE1 3.84Å; L92-F96 HydrophobicContact CD1-CZ 4.43Å; L92-F96 HydrophobicContact CG-CE1 4.45Å; L92-F96 PolarHBondContact O-N 2.91Å; L92-F96 VanDerWaalsContact O-N 3.12Å; A93-F96 PolarHBondContact O-N 3.42Å; F94-F96 VanDerWaalsContact C-N 3.26Å; F94-F96 PolarHBondContact O-N 3.34Å; F96-I99 PolarHBondContact O-N 3.02Å; F96-S100 WeakPolarHBondContact O-CB 3.31Å; F96-S100 PolarHBondContact O-N 2.94Å |
| 97 | A | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.1 | -39.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I54 F58 A93 F94 I95 S100 L101 | I54-A97 HydrophobicContact CD1-CB 4.48Å; F58-A97 HydrophobicContact CD1-CB 3.98Å; F58-A97 HydrophobicContact CD2-CB 3.48Å; F58-A97 VanDerWaalsContact CD2-CB 3.48Å; F58-A97 HydrophobicContact CE1-CB 3.94Å; F58-A97 HydrophobicContact CE2-CB 3.44Å; F58-A97 VanDerWaalsContact CE2-CB 3.44Å; F58-A97 HydrophobicContact CG-CB 3.77Å; F58-A97 HydrophobicContact CZ-CB 3.67Å; A93-A97 PolarHBondContact O-N 3.49Å; F94-A97 PolarHBondContact O-N 3Å; F94-A97 VanDerWaalsContact O-N 3.13Å; I95-A97 PolarHBondContact O-N 3.16Å; A97-S100 WeakPolarHBondContact O-CB 3.26Å; A97-S100 PolarHBondContact O-N 3.32Å; A97-L101 WeakPolarHBondContact O-CG 3.31Å; A97-L101 PolarHBondContact O-N 3.22Å |
| 98 | V | 98.8 | Very high | 98.6 | Very high | 59 Ų | 59 | 39.4 Ų | 39.4 | 36% | 0.358 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.8 | -50.6 | 175.8 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | F94 I95 S100 L101 V102 | F94-V98 HydrophobicContact CD1-CG2 4.23Å; F94-V98 HydrophobicContact CD2-CG2 4.33Å; F94-V98 HydrophobicContact CE1-CG2 3.81Å; F94-V98 HydrophobicContact CE2-CG2 3.89Å; F94-V98 HydrophobicContact CG-CG2 4.48Å; F94-V98 HydrophobicContact CZ-CG2 3.62Å; F94-V98 WeakPolarHBondContact O-CG2 3.44Å; F94-V98 PolarHBondContact O-N 3.43Å; I95-V98 PolarHBondContact O-N 2.92Å; V98-S100 PolarHBondContact O-N 2.96Å; V98-L101 PolarHBondContact O-N 2.92Å; V98-L101 VanDerWaalsContact O-N 3.13Å; V98-V102 HydrophobicContact CG1-CG2 4.46Å; V98-V102 WeakPolarHBondContact O-CG2 3.4Å; V98-V102 PolarHBondContact O-N 3.32Å |
| 99 | I | 98.8 | Very high | 98.6 | Very high | 65 Ų | 65 | 42.3 Ų | 42.3 | 33% | 0.333 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.2 | -41.3 | 177.8 | -63.7 | 167.6 | 0 | 0 | 0 | 110.4 | W40 L53 I95 F96 L101 V102 A103 | W40-I99 HydrophobicContact CH2-CG2 3.81Å; W40-I99 HydrophobicContact CZ3-CG2 3.87Å; L53-I99 HydrophobicContact CD1-CB 3.92Å; L53-I99 HydrophobicContact CD1-CG2 3.52Å; I95-I99 HydrophobicContact CG2-CD1 3.77Å; I95-I99 HydrophobicContact CG2-CG1 4.47Å; I95-I99 VanDerWaalsContact O-CG1 3.31Å; I95-I99 WeakPolarHBondContact O-CG1 3.33Å; I95-I99 PolarHBondContact O-N 3.34Å; F96-I99 PolarHBondContact O-N 3.02Å; I99-L101 PolarHBondContact O-N 3.41Å; I99-V102 PolarHBondContact O-N 2.99Å; I99-A103 PolarHBondContact O-N 3.46Å |
| 100 | S | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.9 | -40 | 176.1 | -178 | 0 | 0 | 0 | 0 | 113.5 | H50 I54 F96 A97 V98 | H50-S100 VanDerWaalsContact CA-OG 3.23Å; H50-S100 WeakPolarHBondContact CA-OG 3.42Å; H50-S100 PolarHBondContact ND1-O 3.36Å; H50-S100 PolarHBondContact ND1-OG 2.76Å; H50-S100 PolarHBondContact O-OG 2.97Å; I54-S100 VanDerWaalsContact CG1-OG 3.31Å; I54-S100 WeakPolarHBondContact CG1-OG 3.41Å; F96-S100 WeakPolarHBondContact O-CB 3.31Å; F96-S100 PolarHBondContact O-N 2.94Å; A97-S100 WeakPolarHBondContact O-CB 3.26Å; A97-S100 PolarHBondContact O-N 3.32Å; V98-S100 PolarHBondContact O-N 2.96Å |
| 101 | L | 98.6 | Very high | 98.5 | Very high | 38 Ų | 38 | 46.2 Ų | 46.2 | 20% | 0.199 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.2 | -44.3 | 175.3 | -73.1 | -177.2 | 0 | 0 | 0 | 111.4 | A97 V98 I99 A103 V104 F105 V128 | A97-L101 WeakPolarHBondContact O-CG 3.31Å; A97-L101 PolarHBondContact O-N 3.22Å; V98-L101 PolarHBondContact O-N 2.92Å; V98-L101 VanDerWaalsContact O-N 3.13Å; I99-L101 PolarHBondContact O-N 3.41Å; L101-A103 VanDerWaalsContact C-N 3.28Å; L101-A103 PolarHBondContact O-N 3.19Å; L101-V104 PolarHBondContact O-N 2.95Å; L101-F105 VanDerWaalsContact O-CD2 3.31Å; L101-F105 WeakPolarHBondContact O-CD2 3.37Å; L101-F105 PolarHBondContact O-N 3.5Å; L101-V128 HydrophobicContact CD1-CB 4.28Å; L101-V128 HydrophobicContact CD1-CG1 4.01Å; L101-V128 HydrophobicContact CD1-CG2 3.99Å |
| 102 | V | 98.8 | Very high | 98.4 | Very high | 60 Ų | 60 | 50.2 Ų | 50.2 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -53.9 | -48.2 | 177.2 | 173.6 | 0 | 0 | 0 | 0 | 110.1 | W40 V98 I99 V104 F105 D106 | W40-V102 HydrophobicContact CH2-CG1 4.31Å; W40-V102 HydrophobicContact CZ2-CG1 3.87Å; V98-V102 HydrophobicContact CG1-CG2 4.46Å; V98-V102 WeakPolarHBondContact O-CG2 3.4Å; V98-V102 PolarHBondContact O-N 3.32Å; I99-V102 PolarHBondContact O-N 2.99Å; V102-V104 VanDerWaalsContact C-N 3.27Å; V102-V104 PolarHBondContact O-N 3.09Å; V102-F105 PolarHBondContact O-N 3.38Å; V102-F105 VanDerWaalsContact O-N 3.13Å; V102-D106 WeakPolarHBondContact CG1-OD2 3.23Å; V102-D106 WeakPolarHBondContact O-CB 3.31Å; V102-D106 PolarHBondContact O-N 3.36Å |
| 103 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.7 | -35.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | W40 E46 W49 I99 L101 F107 | W40-A103 HydrophobicContact CH2-CB 3.95Å; W40-A103 HydrophobicContact CZ3-CB 4.01Å; E46-A103 HydrophobicContact CG-CB 4.11Å; W49-A103 HydrophobicContact CB-CB 4.06Å; I99-A103 PolarHBondContact O-N 3.46Å; L101-A103 VanDerWaalsContact C-N 3.28Å; L101-A103 PolarHBondContact O-N 3.19Å; A103-F107 WeakPolarHBondContact O-CB 3.36Å; A103-F107 PolarHBondContact O-N 2.94Å; A103-F107 VanDerWaalsContact O-N 3.1Å |
| 104 | V | 98.3 | Very high | 98.3 | Very high | 20 Ų | 20 | 53.8 Ų | 53.8 | 12% | 0.121 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -76.5 | -41.9 | 176.8 | 177.5 | 0 | 0 | 0 | 0 | 111.7 | F47 H50 L101 V102 H108 | F47-V104 HydrophobicContact CD2-CG1 4.47Å; F47-V104 HydrophobicContact CD2-CG2 4.05Å; F47-V104 HydrophobicContact CE2-CG1 4.29Å; F47-V104 HydrophobicContact CE2-CG2 4Å; H50-V104 HydrophobicContact CB-CG2 3.36Å; H50-V104 VanDerWaalsContact ND1-CG2 3.26Å; H50-V104 WeakPolarHBondContact ND1-CG2 3.22Å; L101-V104 PolarHBondContact O-N 2.95Å; V102-V104 VanDerWaalsContact C-N 3.27Å; V102-V104 PolarHBondContact O-N 3.09Å; V104-H108 VanDerWaalsContact CG1-CE1 3.48Å; V104-H108 WeakPolarHBondContact CG1-CE1 3.47Å; V104-H108 WeakPolarHBondContact O-CB 3.18Å; V104-H108 VanDerWaalsContact O-CG 3.3Å; V104-H108 PolarHBondContact O-N 2.9Å |
| 105 | F | 98.4 | Very high | 98.2 | Very high | 67 Ų | 67 | 53.7 Ų | 53.7 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 177.7 | -84.8 | -78.8 | 0 | 0 | 0 | 111.1 | L101 V102 H108 N109 N115 M116 | L101-F105 VanDerWaalsContact O-CD2 3.31Å; L101-F105 WeakPolarHBondContact O-CD2 3.37Å; L101-F105 PolarHBondContact O-N 3.5Å; V102-F105 PolarHBondContact O-N 3.38Å; V102-F105 VanDerWaalsContact O-N 3.13Å; F105-H108 PolarHBondContact O-N 3.34Å; F105-N109 VanDerWaalsContact O-CB 3.26Å; F105-N109 WeakPolarHBondContact O-CB 3.3Å; F105-N109 PolarHBondContact O-N 2.96Å; F105-N109 PolarHBondContact O-ND2 3.15Å; F105-N109 VanDerWaalsContact O-ND2 3.12Å; F105-N109 PolarHBondContact O-OD1 3.38Å; F105-N115 HydrophobicContact CD1-CB 4.23Å; F105-N115 HydrophobicContact CE1-CB 3.85Å; F105-M116 HydrophobicContact CE1-CG 4.34Å; F105-M116 HydrophobicContact CZ-CG 4.13Å; F105-M116 HydrophobicContact CZ-SD 3.84Å |
| 106 | D | 98.5 | Very high | 98.2 | Very high | 63 Ų | 63 | 52.9 Ų | 52.9 | 34% | 0.337 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.6 | -48.3 | 176.9 | -75.6 | -5.1 | 0 | 0 | 0 | 110.7 | E46 V102 H108 N109 A110 | E46-D106 WeakPolarHBondContact OE1-CB 3.37Å; V102-D106 WeakPolarHBondContact CG1-OD2 3.23Å; V102-D106 WeakPolarHBondContact O-CB 3.31Å; V102-D106 PolarHBondContact O-N 3.36Å; D106-H108 PolarHBondContact O-N 3.11Å; D106-N109 PolarHBondContact O-N 2.86Å; D106-A110 VanDerWaalsContact O-CB 3.29Å; D106-A110 WeakPolarHBondContact O-CB 3.42Å; D106-A110 PolarHBondContact O-N 3.44Å |
| 107 | F | 98.3 | Very high | 98.1 | Very high | 8 Ų | 8 | 57 Ų | 57 | 4% | 0.035 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.7 | -51.3 | 172.4 | 168.1 | -106.9 | 0 | 0 | 0 | 112.8 | G43 F44 F47 A103 N109 A110 Q111 I113 | G43-F107 VanDerWaalsContact C-CD2 3.49Å; G43-F107 WeakPolarHBondContact O-CD2 3.37Å; F44-F107 AromaticContact CD1-CE2 3.84Å; F44-F107 HydrophobicContact CD1-CE2 3.84Å; F44-F107 AromaticContact CD1-CZ 3.83Å; F44-F107 HydrophobicContact CD1-CZ 3.83Å; F44-F107 HydrophobicContact CE1-CE2 4.1Å; F44-F107 AromaticContact CE1-CZ 3.83Å; F44-F107 HydrophobicContact CE1-CZ 3.83Å; F44-F107 HydrophobicContact CG-CE2 4.15Å; F47-F107 HydrophobicContact CB-CB 4.24Å; F47-F107 HydrophobicContact CB-CD1 3.88Å; F47-F107 HydrophobicContact CB-CD2 4.06Å; F47-F107 HydrophobicContact CB-CE1 4.23Å; F47-F107 HydrophobicContact CB-CE2 4.37Å; F47-F107 HydrophobicContact CB-CG 3.79Å; F47-F107 HydrophobicContact CB-CZ 4.47Å; F47-F107 AromaticContact CD2-CD1 3.55Å; F47-F107 HydrophobicContact CD2-CD1 3.55Å; F47-F107 AromaticContact CD2-CE1 3.84Å; F47-F107 HydrophobicContact CD2-CE1 3.84Å; F47-F107 HydrophobicContact CD2-CG 4.27Å; F47-F107 HydrophobicContact CG-CD1 4.09Å; F47-F107 HydrophobicContact CG-CE1 4.25Å; F47-F107 HydrophobicContact CG-CG 4.49Å; A103-F107 WeakPolarHBondContact O-CB 3.36Å; A103-F107 PolarHBondContact O-N 2.94Å; A103-F107 VanDerWaalsContact O-N 3.1Å; F107-N109 VanDerWaalsContact C-N 3.34Å; F107-N109 PolarHBondContact O-N 3.49Å; F107-A110 PolarHBondContact O-N 3.38Å; F107-Q111 HydrophobicContact CD2-CG 3.66Å; F107-Q111 HydrophobicContact CE2-CB 4.47Å; F107-Q111 HydrophobicContact CE2-CG 3.41Å; F107-Q111 VanDerWaalsContact CE2-CG 3.41Å; F107-Q111 HydrophobicContact CG-CG 4.43Å; F107-Q111 HydrophobicContact CZ-CG 3.96Å; F107-Q111 WeakPolarHBondContact O-CB 3.4Å; F107-Q111 VanDerWaalsContact O-CG 3.27Å; F107-Q111 WeakPolarHBondContact O-CG 3.33Å; F107-Q111 PolarHBondContact O-N 3.45Å; F107-I113 HydrophobicContact CE1-CD1 3.82Å; F107-I113 HydrophobicContact CZ-CD1 4.04Å |
| 108 | H | 98.1 | Very high | 98.1 | Very high | 30 Ų | 30 | 57.8 Ų | 57.8 | 14% | 0.139 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.7 | -41.4 | -179.2 | -77.5 | 174 | 0 | 0 | 0 | 112.1 | V104 F105 D106 Q111 I112 I113 N115 | V104-H108 VanDerWaalsContact CG1-CE1 3.48Å; V104-H108 WeakPolarHBondContact CG1-CE1 3.47Å; V104-H108 WeakPolarHBondContact O-CB 3.18Å; V104-H108 VanDerWaalsContact O-CG 3.3Å; V104-H108 PolarHBondContact O-N 2.9Å; F105-H108 PolarHBondContact O-N 3.34Å; D106-H108 PolarHBondContact O-N 3.11Å; H108-Q111 CarbonylContact O-C 3.58Å; H108-Q111 PolarHBondContact O-N 3.23Å; H108-I112 WeakPolarHBondContact O-CA 3.27Å; H108-I112 PolarHBondContact O-N 3.01Å; H108-I113 HydrophobicContact CB-CB 4.15Å; H108-I113 PolarHBondContact O-N 3.29Å; H108-N115 WeakPolarHBondContact CB-OD1 3.39Å; H108-N115 PolarHBondContact ND1-OD1 3.48Å |
| 109 | N | 98.4 | Very high | 98.1 | Very high | 98 Ų | 98 | 60.2 Ų | 60.2 | 52% | 0.524 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 178.7 | -67 | -18 | 0 | 0 | 0 | 111.1 | F105 D106 F107 I112 N115 | F105-N109 VanDerWaalsContact O-CB 3.26Å; F105-N109 WeakPolarHBondContact O-CB 3.3Å; F105-N109 PolarHBondContact O-N 2.96Å; F105-N109 PolarHBondContact O-ND2 3.15Å; F105-N109 VanDerWaalsContact O-ND2 3.12Å; F105-N109 PolarHBondContact O-OD1 3.38Å; D106-N109 PolarHBondContact O-N 2.86Å; F107-N109 VanDerWaalsContact C-N 3.34Å; F107-N109 PolarHBondContact O-N 3.49Å; N109-I112 PolarHBondContact O-N 3.29Å; N109-N115 PolarHBondContact OD1-ND2 3.03Å |
| 110 | A | 98.1 | Very high | 98 | Very high | 58 Ų | 58 | 58.6 Ų | 58.6 | 48% | 0.479 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.3 | -36.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G42 D106 F107 | G42-A110 WeakPolarHBondContact O-CB 3.46Å; D106-A110 VanDerWaalsContact O-CB 3.29Å; D106-A110 WeakPolarHBondContact O-CB 3.42Å; D106-A110 PolarHBondContact O-N 3.44Å; F107-A110 PolarHBondContact O-N 3.38Å |
| 111 | Q | 97.2 | Very high | 98 | Very high | 83 Ų | 83 | 59.6 Ų | 59.6 | 39% | 0.388 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 2.7 | 179.2 | -58.6 | -52.5 | -56.5 | 0 | 0 | 114.1 | G42 F107 H108 I113 | G42-Q111 PolarHBondContact O-NE2 3.38Å; F107-Q111 HydrophobicContact CD2-CG 3.66Å; F107-Q111 HydrophobicContact CE2-CB 4.47Å; F107-Q111 HydrophobicContact CE2-CG 3.41Å; F107-Q111 VanDerWaalsContact CE2-CG 3.41Å; F107-Q111 HydrophobicContact CG-CG 4.43Å; F107-Q111 HydrophobicContact CZ-CG 3.96Å; F107-Q111 WeakPolarHBondContact O-CB 3.4Å; F107-Q111 VanDerWaalsContact O-CG 3.27Å; F107-Q111 WeakPolarHBondContact O-CG 3.33Å; F107-Q111 PolarHBondContact O-N 3.45Å; H108-Q111 CarbonylContact O-C 3.58Å; H108-Q111 PolarHBondContact O-N 3.23Å; Q111-I113 VanDerWaalsContact C-N 3.29Å; Q111-I113 HydrophobicContact CB-CD1 3.75Å; Q111-I113 HydrophobicContact CB-CG1 3.91Å; Q111-I113 PolarHBondContact O-N 3.29Å |
| 112 | I | 97.4 | Very high | 98 | Very high | 157 Ų | 157 | 65.7 Ų | 65.7 | 81% | 0.805 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 43.2 | -179 | -46.4 | 167 | 0 | 0 | 0 | 111.4 | H108 N109 | H108-I112 WeakPolarHBondContact O-CA 3.27Å; H108-I112 PolarHBondContact O-N 3.01Å; N109-I112 PolarHBondContact O-N 3.29Å |
| 113 | I | 96.2 | Very high | 98 | Very high | 56 Ų | 56 | 65 Ų | 65 | 29% | 0.287 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -98.4 | 132.2 | 175.6 | -59.7 | 170.8 | 0 | 0 | 0 | 108.2 | F107 H108 Q111 N115 | F107-I113 HydrophobicContact CE1-CD1 3.82Å; F107-I113 HydrophobicContact CZ-CD1 4.04Å; H108-I113 HydrophobicContact CB-CB 4.15Å; H108-I113 PolarHBondContact O-N 3.29Å; Q111-I113 VanDerWaalsContact C-N 3.29Å; Q111-I113 HydrophobicContact CB-CD1 3.75Å; Q111-I113 HydrophobicContact CB-CG1 3.91Å; Q111-I113 PolarHBondContact O-N 3.29Å; I113-N115 PolarHBondContact O-N 3.47Å |
| 114 | P | 97.4 | Very high | 98 | Very high | 90 Ų | 90 | 65.6 Ų | 65.6 | 58% | 0.584 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 137.3 | 175.3 | -24.4 | 34.1 | 0 | 0 | 0 | 112.1 | Y117 | P114-Y117 HydrophobicContact CB-CD1 4.11Å; P114-Y117 WeakPolarHBondContact O-CD1 3.31Å; P114-Y117 WeakPolarHBondContact O-CE1 3.26Å |
| 115 | N | 98 | Very high | 98 | Very high | 49 Ų | 49 | 67.6 Ų | 67.6 | 26% | 0.262 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -87.6 | 157.6 | 173.9 | -73.9 | -59.4 | 0 | 0 | 0 | 111.7 | F105 H108 N109 I113 Y117 | F105-N115 HydrophobicContact CD1-CB 4.23Å; F105-N115 HydrophobicContact CE1-CB 3.85Å; H108-N115 WeakPolarHBondContact CB-OD1 3.39Å; H108-N115 PolarHBondContact ND1-OD1 3.48Å; N109-N115 PolarHBondContact OD1-ND2 3.03Å; I113-N115 PolarHBondContact O-N 3.47Å; N115-Y117 VanDerWaalsContact C-N 3.34Å; N115-Y117 PolarHBondContact O-N 2.89Å |
| 116 | M | 97.4 | Very high | 98 | Very high | 59 Ų | 59 | 66.6 Ų | 66.6 | 29% | 0.291 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 58 | 32.6 | 165.4 | -57.7 | -54.3 | -54.9 | 0 | 0 | 116.6 | F105 S121 W122 L125 | F105-M116 HydrophobicContact CE1-CG 4.34Å; F105-M116 HydrophobicContact CZ-CG 4.13Å; F105-M116 HydrophobicContact CZ-SD 3.84Å; M116-S121 WeakPolarHBondContact CA-OG 3.24Å; M116-S121 WeakPolarHBondContact CE-O 3.32Å; M116-W122 PolarHBondContact O-NE1 3.17Å; M116-L125 HydrophobicContact CE-CB 3.73Å; M116-L125 HydrophobicContact CE-CD2 3.49Å; M116-L125 VanDerWaalsContact CE-CD2 3.49Å; M116-L125 HydrophobicContact CE-CG 4.25Å; M116-L125 HydrophobicContact SD-CD2 4.2Å |
| 117 | Y | 97.2 | Very high | 98.1 | Very high | 136 Ų | 136 | 63.9 Ų | 63.9 | 53% | 0.533 | 34% | 0.338 | S | S | . | . | trans | -101.5 | -17.9 | 178.2 | 71.4 | -90.1 | 0 | 0 | 0 | 114.2 | P114 N115 | P114-Y117 HydrophobicContact CB-CD1 4.11Å; P114-Y117 WeakPolarHBondContact O-CD1 3.31Å; P114-Y117 WeakPolarHBondContact O-CE1 3.26Å; N115-Y117 VanDerWaalsContact C-N 3.34Å; N115-Y117 PolarHBondContact O-N 2.89Å | ||
| 118 | S | 98.3 | Very high | 98.1 | Very high | 17 Ų | 17 | 64.1 Ų | 64.1 | 12% | 0.119 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -94.1 | 153.7 | -175.6 | 80.3 | 0 | 0 | 0 | 0 | 112.6 | H120 S121 W122 E180 | S118-H120 VanDerWaalsContact C-N 3.26Å; S118-H120 PolarHBondContact O-N 2.83Å; S118-S121 PolarHBondContact N-OG 2.83Å; S118-S121 PolarHBondContact O-N 2.92Å; S118-S121 VanDerWaalsContact O-N 3.07Å; S118-S121 PolarHBondContact O-OG 3.38Å; S118-S121 PolarHBondContact OG-N 3.28Å; S118-W122 PolarHBondContact O-N 3.38Å; S118-W122 VanDerWaalsContact O-N 3.09Å; S118-E180 VanDerWaalsContact CB-OE1 3.29Å; S118-E180 WeakPolarHBondContact CB-OE1 3.15Å; S118-E180 PolarHBondContact OG-OE1 2.78Å; S118-E180 PolarHBondContact OG-OE2 2.79Å |
| 119 | L | 98.6 | Very high | 98.1 | Very high | 111 Ų | 111 | 67.5 Ų | 67.5 | 58% | 0.581 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.8 | -36.9 | 175.3 | -177.2 | 63.3 | 0 | 0 | 0 | 111.6 | S121 W122 V123 M176 | L119-S121 VanDerWaalsContact C-N 3.29Å; L119-S121 PolarHBondContact O-N 3.4Å; L119-W122 PolarHBondContact O-N 3.48Å; L119-V123 HydrophobicContact CD1-CG2 3.9Å; L119-V123 HydrophobicContact CG-CG2 4.21Å; L119-V123 WeakPolarHBondContact O-CG2 3.26Å; L119-V123 PolarHBondContact O-N 2.78Å; L119-M176 HydrophobicContact CD2-SD 4.1Å; L119-M176 HydrophobicContact CG-SD 4.12Å |
| 120 | H | 98.6 | Very high | 98.1 | Very high | 30 Ų | 30 | 66.5 Ų | 66.5 | 14% | 0.139 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -52.5 | -48.6 | 170.9 | 166 | 69.9 | 0 | 0 | 0 | 111.2 | H50 S118 G124 T173 M176 G177 E180 | H50-H120 AromaticContact NE2-NE2 3.81Å; S118-H120 VanDerWaalsContact C-N 3.26Å; S118-H120 PolarHBondContact O-N 2.83Å; H120-G124 WeakPolarHBondContact O-CA 3.43Å; H120-G124 PolarHBondContact O-N 2.77Å; H120-T173 PolarHBondContact CE1-O 3.43Å; H120-T173 WeakPolarHBondContact ND1-CG2 3.26Å; H120-T173 PolarHBondContact ND1-O 3.23Å; H120-M176 HydrophobicContact CB-CB 3.95Å; H120-G177 VanDerWaalsContact CE1-CA 3.5Å; H120-G177 WeakPolarHBondContact CE1-CA 3.35Å; H120-G177 WeakPolarHBondContact ND1-CA 3.32Å; H120-G177 PolarHBondContact ND1-N 2.84Å; H120-E180 VanDerWaalsContact CB-CD 3.5Å; H120-E180 WeakPolarHBondContact CB-OE1 3.48Å; H120-E180 WeakPolarHBondContact CB-OE2 3.29Å; H120-E180 IonicContact CD2-OE2 3.74Å; H120-E180 IonicContact CG-OE2 3.83Å |
| 121 | S | 98.3 | Very high | 98.1 | Very high | 21 Ų | 21 | 64 Ų | 64 | 15% | 0.147 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.1 | -40.1 | -179.2 | 71.2 | 0 | 0 | 0 | 0 | 113 | M116 S118 L119 L125 | M116-S121 WeakPolarHBondContact CA-OG 3.24Å; M116-S121 WeakPolarHBondContact CE-O 3.32Å; S118-S121 PolarHBondContact N-OG 2.83Å; S118-S121 PolarHBondContact O-N 2.92Å; S118-S121 VanDerWaalsContact O-N 3.07Å; S118-S121 PolarHBondContact O-OG 3.38Å; S118-S121 PolarHBondContact OG-N 3.28Å; L119-S121 VanDerWaalsContact C-N 3.29Å; L119-S121 PolarHBondContact O-N 3.4Å; S121-L125 WeakPolarHBondContact O-CB 3.49Å; S121-L125 PolarHBondContact O-N 3.26Å |
| 122 | W | 98.8 | Very high | 98.2 | Very high | 167 Ų | 167 | 61.6 Ų | 61.6 | 63% | 0.633 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.7 | -49.7 | 179.1 | -74.8 | 25 | 0 | 0 | 0 | 111.9 | M116 S118 L119 G124 A126 | M116-W122 PolarHBondContact O-NE1 3.17Å; S118-W122 PolarHBondContact O-N 3.38Å; S118-W122 VanDerWaalsContact O-N 3.09Å; L119-W122 PolarHBondContact O-N 3.48Å; W122-G124 VanDerWaalsContact C-N 3.35Å; W122-A126 WeakPolarHBondContact O-CB 3.4Å; W122-A126 PolarHBondContact O-N 3.5Å |
| 123 | V | 98.8 | Very high | 98.2 | Very high | 45 Ų | 45 | 58.6 Ų | 58.6 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.3 | -37.7 | 178.9 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | L119 A126 A127 T173 M176 | L119-V123 HydrophobicContact CD1-CG2 3.9Å; L119-V123 HydrophobicContact CG-CG2 4.21Å; L119-V123 WeakPolarHBondContact O-CG2 3.26Å; L119-V123 PolarHBondContact O-N 2.78Å; V123-A126 PolarHBondContact O-N 2.85Å; V123-A127 WeakPolarHBondContact O-CB 3.45Å; V123-A127 PolarHBondContact O-N 3.44Å; V123-T173 VanDerWaalsContact CG1-OG1 3.31Å; V123-T173 WeakPolarHBondContact CG1-OG1 3.38Å; V123-M176 HydrophobicContact CB-CE 3.94Å; V123-M176 HydrophobicContact CG1-CE 4.17Å; V123-M176 HydrophobicContact CG2-CE 4.12Å |
| 124 | G | 98.6 | Very high | 98.3 | Very high | 13 Ų | 13 | 57.3 Ų | 57.3 | 13% | 0.134 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.4 | -48.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | H120 W122 A127 V128 T173 | H120-G124 WeakPolarHBondContact O-CA 3.43Å; H120-G124 PolarHBondContact O-N 2.77Å; W122-G124 VanDerWaalsContact C-N 3.35Å; G124-A127 PolarHBondContact O-N 3.13Å; G124-V128 WeakPolarHBondContact O-CG2 3.48Å; G124-V128 PolarHBondContact O-N 3Å; G124-T173 VanDerWaalsContact CA-CG2 3.5Å |
| 125 | L | 98.6 | Very high | 98.4 | Very high | 62 Ų | 62 | 54.5 Ų | 54.5 | 33% | 0.325 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 177.1 | -176.5 | 63.2 | 0 | 0 | 0 | 111.4 | M116 S121 A127 V128 I129 | M116-L125 HydrophobicContact CE-CB 3.73Å; M116-L125 HydrophobicContact CE-CD2 3.49Å; M116-L125 VanDerWaalsContact CE-CD2 3.49Å; M116-L125 HydrophobicContact CE-CG 4.25Å; M116-L125 HydrophobicContact SD-CD2 4.2Å; S121-L125 WeakPolarHBondContact O-CB 3.49Å; S121-L125 PolarHBondContact O-N 3.26Å; L125-A127 VanDerWaalsContact C-N 3.32Å; L125-A127 PolarHBondContact O-N 2.99Å; L125-V128 PolarHBondContact O-N 2.89Å; L125-I129 HydrophobicContact CD1-CD1 4.32Å; L125-I129 HydrophobicContact CD1-CG1 4.46Å; L125-I129 HydrophobicContact CG-CD1 3.94Å; L125-I129 WeakPolarHBondContact O-CG1 3.42Å; L125-I129 PolarHBondContact O-N 2.98Å |
| 126 | A | 98.6 | Very high | 98.3 | Very high | 46 Ų | 46 | 56.4 Ų | 56.4 | 38% | 0.38 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.5 | -43.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | W122 V123 V128 I129 L130 | W122-A126 WeakPolarHBondContact O-CB 3.4Å; W122-A126 PolarHBondContact O-N 3.5Å; V123-A126 PolarHBondContact O-N 2.85Å; A126-V128 PolarHBondContact O-N 3.09Å; A126-I129 PolarHBondContact O-N 3.02Å; A126-L130 WeakPolarHBondContact O-CB 3.48Å; A126-L130 VanDerWaalsContact O-CG 3.27Å; A126-L130 WeakPolarHBondContact O-CG 3.32Å; A126-L130 PolarHBondContact O-N 3.01Å |
| 127 | A | 98.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 56.8 Ų | 56.8 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V123 G124 L125 L130 Y131 V170 | V123-A127 WeakPolarHBondContact O-CB 3.45Å; V123-A127 PolarHBondContact O-N 3.44Å; G124-A127 PolarHBondContact O-N 3.13Å; L125-A127 VanDerWaalsContact C-N 3.32Å; L125-A127 PolarHBondContact O-N 2.99Å; A127-L130 PolarHBondContact O-N 3.47Å; A127-Y131 WeakPolarHBondContact O-CB 3.33Å; A127-Y131 PolarHBondContact O-N 2.83Å; A127-V170 HydrophobicContact CB-CG2 4.11Å |
| 128 | V | 98.7 | Very high | 98.3 | Very high | 14 Ų | 14 | 50.9 Ų | 50.9 | 9% | 0.085 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 177.5 | 172.8 | 0 | 0 | 0 | 0 | 111.8 | F58 F94 L101 G124 L125 A126 Y131 S132 | F58-V128 HydrophobicContact CE1-CG2 3.6Å; F58-V128 HydrophobicContact CZ-CG2 3.99Å; F94-V128 HydrophobicContact CE2-CG1 4.08Å; L101-V128 HydrophobicContact CD1-CB 4.28Å; L101-V128 HydrophobicContact CD1-CG1 4.01Å; L101-V128 HydrophobicContact CD1-CG2 3.99Å; G124-V128 WeakPolarHBondContact O-CG2 3.48Å; G124-V128 PolarHBondContact O-N 3Å; L125-V128 PolarHBondContact O-N 2.89Å; A126-V128 PolarHBondContact O-N 3.09Å; V128-Y131 PolarHBondContact O-N 3.47Å; V128-S132 WeakPolarHBondContact O-CB 3.33Å; V128-S132 PolarHBondContact O-N 3.33Å; V128-S132 PolarHBondContact O-OG 3Å |
| 129 | I | 98.6 | Very high | 98.2 | Very high | 101 Ų | 101 | 52.1 Ų | 52.1 | 52% | 0.518 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.9 | -48.9 | 175.6 | -68 | 167 | 0 | 0 | 0 | 110.6 | L125 A126 Y131 S132 L133 | L125-I129 HydrophobicContact CD1-CD1 4.32Å; L125-I129 HydrophobicContact CD1-CG1 4.46Å; L125-I129 HydrophobicContact CG-CD1 3.94Å; L125-I129 WeakPolarHBondContact O-CG1 3.42Å; L125-I129 PolarHBondContact O-N 2.98Å; A126-I129 PolarHBondContact O-N 3.02Å; I129-Y131 VanDerWaalsContact C-N 3.31Å; I129-Y131 PolarHBondContact O-N 2.89Å; I129-S132 WeakPolarHBondContact O-CB 3.36Å; I129-S132 PolarHBondContact O-N 3.38Å; I129-L133 PolarHBondContact O-N 3.49Å |
| 130 | L | 98.6 | Very high | 98 | Very high | 76 Ų | 76 | 49.6 Ų | 49.6 | 40% | 0.398 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 178.1 | -70.9 | 174.5 | 0 | 0 | 0 | 111.8 | A126 A127 S132 L133 Q134 I166 | A126-L130 WeakPolarHBondContact O-CB 3.48Å; A126-L130 VanDerWaalsContact O-CG 3.27Å; A126-L130 WeakPolarHBondContact O-CG 3.32Å; A126-L130 PolarHBondContact O-N 3.01Å; A127-L130 PolarHBondContact O-N 3.47Å; L130-S132 VanDerWaalsContact C-N 3.35Å; L130-L133 PolarHBondContact O-N 3.4Å; L130-Q134 VanDerWaalsContact O-CB 3.23Å; L130-Q134 WeakPolarHBondContact O-CB 3.27Å; L130-Q134 PolarHBondContact O-N 3.3Å; L130-I166 HydrophobicContact CB-CD1 3.91Å; L130-I166 HydrophobicContact CB-CG1 3.96Å |
| 131 | Y | 98.7 | Very high | 97.8 | Very high | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.02 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.3 | -41.4 | 174.5 | -168.5 | -82.4 | 0 | 0 | 0 | 111.7 | F58 Q62 N90 F94 A127 V128 I129 Q134 L135 I166 | F58-Y131 AromaticContact CE2-CD1 3.76Å; F58-Y131 HydrophobicContact CE2-CD1 3.76Å; F58-Y131 AromaticContact CE2-CD2 3.97Å; F58-Y131 HydrophobicContact CE2-CD2 3.97Å; F58-Y131 AromaticContact CE2-CE1 3.85Å; F58-Y131 HydrophobicContact CE2-CE1 3.85Å; F58-Y131 HydrophobicContact CE2-CE2 4.06Å; F58-Y131 AromaticContact CE2-CG 3.79Å; F58-Y131 HydrophobicContact CE2-CG 3.79Å; F58-Y131 AromaticContact CE2-CZ 3.95Å; F58-Y131 AromaticContact CZ-CD1 3.89Å; F58-Y131 HydrophobicContact CZ-CD1 3.89Å; F58-Y131 AromaticContact CZ-CD2 3.95Å; F58-Y131 HydrophobicContact CZ-CD2 3.95Å; F58-Y131 HydrophobicContact CZ-CE1 4.44Å; F58-Y131 HydrophobicContact CZ-CE2 4.49Å; F58-Y131 AromaticContact CZ-CG 3.59Å; F58-Y131 HydrophobicContact CZ-CG 3.59Å; Q62-Y131 VanDerWaalsContact CD-CE2 3.4Å; Q62-Y131 HydrophobicContact CG-CE2 3.84Å; N90-Y131 WeakPolarHBondContact CA-OH 3.4Å; N90-Y131 VanDerWaalsContact CB-OH 3.27Å; N90-Y131 WeakPolarHBondContact CB-OH 3.47Å; N90-Y131 WeakPolarHBondContact O-CE1 3.43Å; N90-Y131 PolarHBondContact O-OH 3.42Å; N90-Y131 PolarHBondContact OD1-OH 3.2Å; F94-Y131 HydrophobicContact CB-CD1 4.31Å; F94-Y131 HydrophobicContact CB-CE1 3.88Å; F94-Y131 AromaticContact CD2-CD1 3.9Å; F94-Y131 HydrophobicContact CD2-CD1 3.9Å; F94-Y131 HydrophobicContact CD2-CE1 4.33Å; F94-Y131 HydrophobicContact CG-CD1 4.47Å; F94-Y131 HydrophobicContact CG-CE1 4.49Å; A127-Y131 WeakPolarHBondContact O-CB 3.33Å; A127-Y131 PolarHBondContact O-N 2.83Å; V128-Y131 PolarHBondContact O-N 3.47Å; I129-Y131 VanDerWaalsContact C-N 3.31Å; I129-Y131 PolarHBondContact O-N 2.89Å; Y131-Q134 WeakPolarHBondContact O-CB 3.38Å; Y131-Q134 PolarHBondContact O-N 3.04Å; Y131-L135 WeakPolarHBondContact O-CB 3.42Å; Y131-L135 PolarHBondContact O-N 2.91Å; Y131-I166 HydrophobicContact CD2-CG2 3.87Å |
| 132 | S | 98.5 | Very high | 97.7 | Very high | 34 Ų | 34 | 49.3 Ų | 49.3 | 24% | 0.238 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.4 | -46.9 | 176.3 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | F94 V128 I129 L130 L135 V136 | F94-S132 WeakPolarHBondContact CE2-OG 3.47Å; F94-S132 VanDerWaalsContact CZ-OG 3.27Å; F94-S132 WeakPolarHBondContact CZ-OG 3.44Å; V128-S132 WeakPolarHBondContact O-CB 3.33Å; V128-S132 PolarHBondContact O-N 3.33Å; V128-S132 PolarHBondContact O-OG 3Å; I129-S132 WeakPolarHBondContact O-CB 3.36Å; I129-S132 PolarHBondContact O-N 3.38Å; L130-S132 VanDerWaalsContact C-N 3.35Å; S132-L135 PolarHBondContact O-N 3.41Å; S132-V136 WeakPolarHBondContact O-CG2 3.47Å; S132-V136 PolarHBondContact O-N 2.91Å |
| 133 | L | 98.3 | Very high | 97.3 | Very high | 93 Ų | 93 | 43.3 Ų | 43.3 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 176.2 | -179.8 | 62.4 | 0 | 0 | 0 | 111.3 | I129 L130 L135 V136 L137 | I129-L133 PolarHBondContact O-N 3.49Å; L130-L133 PolarHBondContact O-N 3.4Å; L133-L135 VanDerWaalsContact C-N 3.27Å; L133-L135 PolarHBondContact O-N 2.86Å; L133-V136 PolarHBondContact O-N 2.97Å; L133-L137 HydrophobicContact CD1-CD1 3.76Å; L133-L137 HydrophobicContact CD1-CG 3.9Å; L133-L137 HydrophobicContact CD2-CD1 4.45Å; L133-L137 HydrophobicContact CG-CD1 3.77Å; L133-L137 HydrophobicContact CG-CG 4.28Å; L133-L137 VanDerWaalsContact O-CB 3.31Å; L133-L137 WeakPolarHBondContact O-CB 3.24Å; L133-L137 VanDerWaalsContact O-CG 3.26Å; L133-L137 WeakPolarHBondContact O-CG 3.33Å; L133-L137 PolarHBondContact O-N 3.25Å |
| 134 | Q | 98.1 | Very high | 96.9 | Very high | 29 Ų | 29 | 44.3 Ų | 44.3 | 14% | 0.136 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.3 | -41.1 | 176.3 | -179.3 | 73.4 | -7 | 0 | 0 | 112 | L130 Y131 G138 H159 S162 I166 | L130-Q134 VanDerWaalsContact O-CB 3.23Å; L130-Q134 WeakPolarHBondContact O-CB 3.27Å; L130-Q134 PolarHBondContact O-N 3.3Å; Y131-Q134 WeakPolarHBondContact O-CB 3.38Å; Y131-Q134 PolarHBondContact O-N 3.04Å; Q134-G138 WeakPolarHBondContact O-CA 3.44Å; Q134-G138 PolarHBondContact O-N 3.43Å; Q134-H159 PolarHBondContact NE2-CE1 2.89Å; Q134-H159 VanDerWaalsContact NE2-CE1 3.31Å; Q134-H159 PolarHBondContact NE2-ND1 3.18Å; Q134-H159 PolarHBondContact NE2-O 2.97Å; Q134-S162 PolarHBondContact NE2-OG 3.29Å; Q134-S162 VanDerWaalsContact NE2-OG 3.09Å; Q134-S162 PolarHBondContact OE1-OG 2.93Å; Q134-I166 HydrophobicContact CB-CD1 3.98Å; Q134-I166 HydrophobicContact CG-CD1 4.29Å |
| 135 | L | 97.9 | Very high | 96.4 | Very high | 31 Ų | 31 | 49.2 Ų | 49.2 | 16% | 0.162 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.4 | -49.9 | 179.8 | -171 | 63.3 | 0 | 0 | 0 | 111.6 | N90 I91 F94 Y131 S132 L133 G138 V139 | N90-L135 HydrophobicContact CB-CD1 3.81Å; I91-L135 HydrophobicContact CG1-CD1 4.06Å; I91-L135 HydrophobicContact CG1-CD2 3.98Å; I91-L135 HydrophobicContact CG1-CG 4.4Å; F94-L135 HydrophobicContact CB-CD2 4.16Å; F94-L135 HydrophobicContact CD1-CD2 4.34Å; F94-L135 HydrophobicContact CG-CD2 4.28Å; Y131-L135 WeakPolarHBondContact O-CB 3.42Å; Y131-L135 PolarHBondContact O-N 2.91Å; S132-L135 PolarHBondContact O-N 3.41Å; L133-L135 VanDerWaalsContact C-N 3.27Å; L133-L135 PolarHBondContact O-N 2.86Å; L135-G138 PolarHBondContact O-N 3.4Å; L135-V139 WeakPolarHBondContact O-CG2 3.36Å; L135-V139 PolarHBondContact O-N 3.31Å |
| 136 | V | 97.6 | Very high | 96 | Very high | 89 Ų | 89 | 53 Ų | 53 | 54% | 0.539 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.4 | -50.7 | 178.7 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | S132 L133 G138 V139 C140 | S132-V136 WeakPolarHBondContact O-CG2 3.47Å; S132-V136 PolarHBondContact O-N 2.91Å; L133-V136 PolarHBondContact O-N 2.97Å; V136-G138 VanDerWaalsContact C-N 3.29Å; V136-G138 PolarHBondContact O-N 3.45Å; V136-V139 PolarHBondContact O-N 2.95Å; V136-C140 WeakPolarHBondContact O-CB 3.28Å; V136-C140 PolarHBondContact O-N 3.38Å; V136-C140 PolarHBondContact O-SG 3.36Å |
| 137 | L | 96.6 | Very high | 95.7 | Very high | 67 Ų | 67 | 52.2 Ų | 52.2 | 35% | 0.351 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.1 | -40 | 177 | -68.4 | 177.3 | 0 | 0 | 0 | 111.4 | L133 C140 I141 | L133-L137 HydrophobicContact CD1-CD1 3.76Å; L133-L137 HydrophobicContact CD1-CG 3.9Å; L133-L137 HydrophobicContact CD2-CD1 4.45Å; L133-L137 HydrophobicContact CG-CD1 3.77Å; L133-L137 HydrophobicContact CG-CG 4.28Å; L133-L137 VanDerWaalsContact O-CB 3.31Å; L133-L137 WeakPolarHBondContact O-CB 3.24Å; L133-L137 VanDerWaalsContact O-CG 3.26Å; L133-L137 WeakPolarHBondContact O-CG 3.33Å; L133-L137 PolarHBondContact O-N 3.25Å; L137-C140 PolarHBondContact O-N 3.27Å; L137-I141 HydrophobicContact CB-CD1 4.34Å; L137-I141 VanDerWaalsContact O-CB 3.24Å; L137-I141 WeakPolarHBondContact O-CB 3.47Å; L137-I141 VanDerWaalsContact O-CG1 3.28Å; L137-I141 WeakPolarHBondContact O-CG1 3.37Å; L137-I141 PolarHBondContact O-N 2.89Å |
| 138 | G | 96.8 | Very high | 95.4 | Very high | 12 Ų | 12 | 54.7 Ų | 54.7 | 12% | 0.124 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q134 L135 V136 Y142 | Q134-G138 WeakPolarHBondContact O-CA 3.44Å; Q134-G138 PolarHBondContact O-N 3.43Å; L135-G138 PolarHBondContact O-N 3.4Å; V136-G138 VanDerWaalsContact C-N 3.29Å; V136-G138 PolarHBondContact O-N 3.45Å; G138-Y142 WeakPolarHBondContact O-CB 3.47Å; G138-Y142 WeakPolarHBondContact O-CD2 3.26Å; G138-Y142 PolarHBondContact O-N 2.94Å |
| 139 | V | 95.5 | Very high | 95.1 | Very high | 43 Ų | 43 | 59.4 Ų | 59.4 | 26% | 0.261 | 34% | 0.338 | S | S | . | . | I | π-helix | trans | -65 | -51.8 | 176 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | L135 V136 I141 L143 I144 | L135-V139 WeakPolarHBondContact O-CG2 3.36Å; L135-V139 PolarHBondContact O-N 3.31Å; V136-V139 PolarHBondContact O-N 2.95Å; V139-I141 PolarHBondContact O-N 3.31Å; V139-L143 HydrophobicContact CG1-CB 4.43Å; V139-L143 HydrophobicContact CG1-CD2 4.38Å; V139-L143 WeakPolarHBondContact O-CA 3.45Å; V139-L143 VanDerWaalsContact O-CB 3.3Å; V139-L143 WeakPolarHBondContact O-CB 3.35Å; V139-L143 PolarHBondContact O-N 3.1Å; V139-I144 HydrophobicContact CG1-CG1 4.47Å; V139-I144 PolarHBondContact O-N 3.43Å; V139-I144 VanDerWaalsContact O-N 3.1Å |
| 140 | C | 95.4 | Very high | 94.8 | Very high | 58 Ų | 58 | 62.1 Ų | 62.1 | 39% | 0.392 | 34% | 0.343 | S | S | . | . | I | π-helix | trans | -61.3 | -44.3 | -176.8 | -69.6 | 0 | 0 | 0 | 0 | 112.7 | V136 L137 T147 | V136-C140 WeakPolarHBondContact O-CB 3.28Å; V136-C140 PolarHBondContact O-N 3.38Å; V136-C140 PolarHBondContact O-SG 3.36Å; L137-C140 PolarHBondContact O-N 3.27Å; C140-T147 PolarHBondContact O-OG1 2.88Å; C140-T147 VanDerWaalsContact O-OG1 3.07Å |
| 141 | I | 95.1 | Very high | 94.6 | Very high | 19 Ų | 19 | 61.3 Ų | 61.3 | 10% | 0.097 | 34% | 0.339 | C | S | . | . | I | π-helix | trans | -82.1 | -42.5 | -174.3 | -64.1 | 172.7 | 0 | 0 | 0 | 111.6 | L137 V139 T147 R152 F155 | L137-I141 HydrophobicContact CB-CD1 4.34Å; L137-I141 VanDerWaalsContact O-CB 3.24Å; L137-I141 WeakPolarHBondContact O-CB 3.47Å; L137-I141 VanDerWaalsContact O-CG1 3.28Å; L137-I141 WeakPolarHBondContact O-CG1 3.37Å; L137-I141 PolarHBondContact O-N 2.89Å; V139-I141 PolarHBondContact O-N 3.31Å; I141-T147 HydrophobicContact CG2-CG2 4.23Å; I141-R152 HydrophobicContact CG2-CB 4.49Å; I141-R152 HydrophobicContact CG2-CG 3.88Å; I141-R152 WeakPolarHBondContact O-CG 3.45Å; I141-R152 PolarHBondContact O-NE 3.12Å; I141-F155 HydrophobicContact CD1-CB 4.18Å; I141-F155 HydrophobicContact CD1-CD1 4.2Å; I141-F155 HydrophobicContact CD1-CD2 4.26Å; I141-F155 HydrophobicContact CD1-CG 3.96Å |
| 142 | Y | 94.4 | Very high | 94.3 | Very high | 26 Ų | 26 | 63.9 Ų | 63.9 | 10% | 0.102 | 35% | 0.348 | C | S | . | . | I | π-helix | trans | -106.9 | -23.6 | -168.1 | -55.9 | -63.1 | 0 | 0 | 0 | 115 | K83 G138 R152 F155 M156 H159 | K83-Y142 WeakPolarHBondContact CD-O 3.47Å; K83-Y142 VanDerWaalsContact CE-O 3.31Å; K83-Y142 WeakPolarHBondContact CE-O 3.47Å; K83-Y142 PolarHBondContact NZ-O 2.84Å; G138-Y142 WeakPolarHBondContact O-CB 3.47Å; G138-Y142 WeakPolarHBondContact O-CD2 3.26Å; G138-Y142 PolarHBondContact O-N 2.94Å; Y142-R152 HydrophobicContact CD1-CB 4.45Å; Y142-R152 HydrophobicContact CD1-CG 4.32Å; Y142-R152 HydrophobicContact CE1-CB 4.17Å; Y142-R152 HydrophobicContact CE1-CG 4.42Å; Y142-F155 PolarHBondContact OH-O 3.16Å; Y142-M156 HydrophobicContact CD1-CE 4.04Å; Y142-M156 HydrophobicContact CE1-CE 3.53Å; Y142-M156 WeakPolarHBondContact OH-CA 3.27Å; Y142-M156 PolarHBondContact OH-N 3.38Å; Y142-M156 VanDerWaalsContact OH-N 3.09Å; Y142-H159 HydrophobicContact CE2-CB 3.98Å; Y142-H159 AromaticContact CE2-CD2 3.97Å; Y142-H159 AromaticContact CE2-CG 3.68Å; Y142-H159 AromaticContact CE2-ND1 3.88Å |
| 143 | L | 92.1 | Very high | 94.1 | Very high | 41 Ų | 41 | 65.4 Ų | 65.4 | 22% | 0.215 | 36% | 0.363 | C | S | . | . | I | π-helix | trans | -98.2 | -43 | -178.5 | -161.1 | 67.1 | 0 | 0 | 0 | 111.8 | L80 K83 F84 A87 V139 | L80-L143 HydrophobicContact CD1-CD1 4.28Å; K83-L143 HydrophobicContact CB-CD1 3.65Å; K83-L143 HydrophobicContact CD-CD1 4.41Å; F84-L143 HydrophobicContact CD1-CD1 4.08Å; F84-L143 HydrophobicContact CD1-CD2 4.16Å; F84-L143 HydrophobicContact CE1-CD1 3.99Å; F84-L143 HydrophobicContact CE1-CD2 3.91Å; F84-L143 HydrophobicContact CE1-CG 4.23Å; F84-L143 HydrophobicContact CG-CD1 4.47Å; F84-L143 HydrophobicContact CZ-CD1 4.3Å; A87-L143 HydrophobicContact CB-CD2 4.5Å; V139-L143 HydrophobicContact CG1-CB 4.43Å; V139-L143 HydrophobicContact CG1-CD2 4.38Å; V139-L143 WeakPolarHBondContact O-CA 3.45Å; V139-L143 VanDerWaalsContact O-CB 3.3Å; V139-L143 WeakPolarHBondContact O-CB 3.35Å; V139-L143 PolarHBondContact O-N 3.1Å |
| 144 | I | 90.3 | Very high | 93.9 | Very high | 66 Ų | 66 | 64.3 Ų | 64.3 | 34% | 0.338 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -74 | 129.3 | 177.9 | -56.7 | -178.4 | 0 | 0 | 0 | 109.8 | V139 I146 R152 | V139-I144 HydrophobicContact CG1-CG1 4.47Å; V139-I144 PolarHBondContact O-N 3.43Å; V139-I144 VanDerWaalsContact O-N 3.1Å; I144-I146 HydrophobicContact CG2-CB 4.09Å; I144-I146 HydrophobicContact CG2-CD1 3.58Å; I144-I146 HydrophobicContact CG2-CG1 3.71Å; I144-I146 PolarHBondContact O-N 3.07Å; I144-R152 PolarHBondContact O-NH2 3.01Å |
| 145 | P | 87.9 | Confident | 93.8 | Very high | 116 Ų | 116 | 67 Ų | 67 | 75% | 0.753 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | 6.7 | -172.8 | 29.5 | -35.3 | 0 | 0 | 0 | 115 | ||
| 146 | I | 90.5 | Very high | 93.7 | Very high | 143 Ų | 143 | 69.5 Ų | 69.5 | 73% | 0.733 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -27 | -171.2 | -57.9 | 168.5 | 0 | 0 | 0 | 112.6 | I144 P148 | I144-I146 HydrophobicContact CG2-CB 4.09Å; I144-I146 HydrophobicContact CG2-CD1 3.58Å; I144-I146 HydrophobicContact CG2-CG1 3.71Å; I144-I146 PolarHBondContact O-N 3.07Å; I146-P148 WeakPolarHBondContact O-CD 3.45Å |
| 147 | T | 91.5 | Very high | 93.6 | Very high | 28 Ų | 28 | 69.5 Ų | 69.5 | 17% | 0.172 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -73.9 | 129 | -174 | -46.8 | 0 | 0 | 0 | 0 | 112.9 | C140 I141 L151 R152 | C140-T147 PolarHBondContact O-OG1 2.88Å; C140-T147 VanDerWaalsContact O-OG1 3.07Å; I141-T147 HydrophobicContact CG2-CG2 4.23Å; T147-L151 HydrophobicContact CG2-CB 3.93Å; T147-L151 HydrophobicContact CG2-CD1 4.27Å; T147-R152 HydrophobicContact CG2-CG 4.12Å; T147-R152 PolarHBondContact O-NE 3.29Å; T147-R152 PolarHBondContact O-NH2 3.47Å |
| 148 | P | 93.3 | Very high | 93.6 | Very high | 57 Ų | 57 | 71 Ų | 71 | 37% | 0.37 | 40% | 0.401 | S | S | . | . | trans | -54.9 | 149.8 | 174.5 | -27.1 | 33.6 | 0 | 0 | 0 | 114.2 | I146 Y150 L151 R152 | I146-P148 WeakPolarHBondContact O-CD 3.45Å; P148-Y150 VanDerWaalsContact C-N 3.35Å; P148-Y150 HydrophobicContact CB-CD1 3.51Å; P148-Y150 HydrophobicContact CB-CE1 3.27Å; P148-Y150 HydrophobicContact CG-CE1 3.85Å; P148-Y150 PolarHBondContact O-N 3.04Å; P148-L151 HydrophobicContact CG-CD1 4.45Å; P148-L151 PolarHBondContact O-N 2.99Å; P148-R152 PolarHBondContact O-N 3.13Å | ||
| 149 | T | 91.8 | Very high | 93.7 | Very high | 114 Ų | 114 | 72.2 Ų | 72.2 | 70% | 0.699 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.3 | -36 | -178.3 | 50 | 0 | 0 | 0 | 0 | 113.4 | R152 A153 | T149-R152 PolarHBondContact O-N 2.92Å; T149-A153 PolarHBondContact O-N 3.41Å |
| 150 | Y | 92.9 | Very high | 93.8 | Very high | 157 Ų | 157 | 73.7 Ų | 73.7 | 62% | 0.616 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.5 | -40.6 | 178.8 | 74.4 | -91.1 | 0 | 0 | 0 | 112.1 | P148 A153 A154 | P148-Y150 VanDerWaalsContact C-N 3.35Å; P148-Y150 HydrophobicContact CB-CD1 3.51Å; P148-Y150 HydrophobicContact CB-CE1 3.27Å; P148-Y150 HydrophobicContact CG-CE1 3.85Å; P148-Y150 PolarHBondContact O-N 3.04Å; Y150-A153 PolarHBondContact O-N 3.12Å; Y150-A154 WeakPolarHBondContact O-CB 3.5Å; Y150-A154 PolarHBondContact O-N 3.27Å |
| 151 | L | 92.8 | Very high | 94 | Very high | 59 Ų | 59 | 78 Ų | 78 | 31% | 0.309 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 174.4 | -70.2 | -177.2 | 0 | 0 | 0 | 111.2 | T147 P148 A153 A154 F155 | T147-L151 HydrophobicContact CG2-CB 3.93Å; T147-L151 HydrophobicContact CG2-CD1 4.27Å; P148-L151 HydrophobicContact CG-CD1 4.45Å; P148-L151 PolarHBondContact O-N 2.99Å; L151-A153 PolarHBondContact O-N 3.45Å; L151-A154 PolarHBondContact O-N 3.47Å; L151-A154 VanDerWaalsContact O-N 3.16Å; L151-F155 HydrophobicContact CD2-CE2 4.43Å; L151-F155 WeakPolarHBondContact O-CD2 3.36Å; L151-F155 PolarHBondContact O-N 2.83Å |
| 152 | R | 94 | Very high | 94.1 | Very high | 59 Ų | 59 | 78.1 Ų | 78.1 | 22% | 0.223 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -57.5 | -38 | 175.4 | -70 | 175.5 | 172.4 | 158.1 | 8.3 | 112.1 | I141 Y142 I144 T147 P148 T149 M156 | I141-R152 HydrophobicContact CG2-CB 4.49Å; I141-R152 HydrophobicContact CG2-CG 3.88Å; I141-R152 WeakPolarHBondContact O-CG 3.45Å; I141-R152 PolarHBondContact O-NE 3.12Å; Y142-R152 HydrophobicContact CD1-CB 4.45Å; Y142-R152 HydrophobicContact CD1-CG 4.32Å; Y142-R152 HydrophobicContact CE1-CB 4.17Å; Y142-R152 HydrophobicContact CE1-CG 4.42Å; I144-R152 PolarHBondContact O-NH2 3.01Å; T147-R152 HydrophobicContact CG2-CG 4.12Å; T147-R152 PolarHBondContact O-NE 3.29Å; T147-R152 PolarHBondContact O-NH2 3.47Å; P148-R152 PolarHBondContact O-N 3.13Å; T149-R152 PolarHBondContact O-N 2.92Å; R152-M156 WeakPolarHBondContact O-CB 3.16Å; R152-M156 PolarHBondContact O-N 2.99Å |
| 153 | A | 93.1 | Very high | 94.3 | Very high | 67 Ų | 67 | 77.6 Ų | 77.6 | 55% | 0.554 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -69.8 | -43 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | T149 Y150 L151 M156 P157 | T149-A153 PolarHBondContact O-N 3.41Å; Y150-A153 PolarHBondContact O-N 3.12Å; L151-A153 PolarHBondContact O-N 3.45Å; A153-M156 PolarHBondContact O-N 3.49Å; A153-P157 WeakPolarHBondContact O-CD 3.43Å |
| 154 | A | 93.9 | Very high | 94.6 | Very high | 70 Ų | 70 | 77.3 Ų | 77.3 | 58% | 0.579 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65.6 | -39 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y150 L151 P157 | Y150-A154 WeakPolarHBondContact O-CB 3.5Å; Y150-A154 PolarHBondContact O-N 3.27Å; L151-A154 PolarHBondContact O-N 3.47Å; L151-A154 VanDerWaalsContact O-N 3.16Å; A154-P157 WeakPolarHBondContact O-CD 3.47Å |
| 155 | F | 95.6 | Very high | 95 | Very high | 84 Ų | 84 | 78.8 Ų | 78.8 | 37% | 0.368 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -83.3 | -13.4 | -179.6 | -81.4 | -84.3 | 0 | 0 | 0 | 114.2 | I141 Y142 L151 L158 H159 | I141-F155 HydrophobicContact CD1-CB 4.18Å; I141-F155 HydrophobicContact CD1-CD1 4.2Å; I141-F155 HydrophobicContact CD1-CD2 4.26Å; I141-F155 HydrophobicContact CD1-CG 3.96Å; Y142-F155 PolarHBondContact OH-O 3.16Å; L151-F155 HydrophobicContact CD2-CE2 4.43Å; L151-F155 WeakPolarHBondContact O-CD2 3.36Å; L151-F155 PolarHBondContact O-N 2.83Å; F155-L158 HydrophobicContact CD1-CD2 4.24Å; F155-L158 HydrophobicContact CE1-CD2 4.48Å; F155-L158 PolarHBondContact O-N 3.09Å; F155-H159 WeakPolarHBondContact O-CB 3.42Å; F155-H159 PolarHBondContact O-N 3.18Å |
| 156 | M | 96.2 | Very high | 95.5 | Very high | 84 Ų | 84 | 73.5 Ų | 73.5 | 41% | 0.414 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.3 | -46.6 | -176.4 | -177.4 | 65 | 67.1 | 0 | 0 | 113.3 | Y142 R152 A153 L158 H159 V160 | Y142-M156 HydrophobicContact CD1-CE 4.04Å; Y142-M156 HydrophobicContact CE1-CE 3.53Å; Y142-M156 WeakPolarHBondContact OH-CA 3.27Å; Y142-M156 PolarHBondContact OH-N 3.38Å; Y142-M156 VanDerWaalsContact OH-N 3.09Å; R152-M156 WeakPolarHBondContact O-CB 3.16Å; R152-M156 PolarHBondContact O-N 2.99Å; A153-M156 PolarHBondContact O-N 3.49Å; M156-L158 VanDerWaalsContact C-N 3.3Å; M156-L158 PolarHBondContact O-N 3.19Å; M156-H159 PolarHBondContact O-N 3.09Å; M156-V160 WeakPolarHBondContact O-CG2 3.47Å; M156-V160 PolarHBondContact O-N 3.44Å; M156-V160 HydrophobicContact SD-CG2 4.14Å |
| 157 | P | 96.3 | Very high | 95.9 | Very high | 89 Ų | 89 | 66.7 Ų | 66.7 | 58% | 0.578 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.5 | -42 | 177.5 | -21.9 | 34.1 | 0 | 0 | 0 | 111.9 | A153 A154 V160 Y161 | A153-P157 WeakPolarHBondContact O-CD 3.43Å; A154-P157 WeakPolarHBondContact O-CD 3.47Å; P157-V160 PolarHBondContact O-N 3.2Å; P157-Y161 WeakPolarHBondContact O-CB 3.23Å; P157-Y161 PolarHBondContact O-N 2.93Å |
| 158 | L | 97.3 | Very high | 96.3 | Very high | 99 Ų | 99 | 67.3 Ų | 67.3 | 52% | 0.518 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.7 | -48.8 | 177.7 | -178.6 | 61.8 | 0 | 0 | 0 | 110.9 | F155 M156 V160 Y161 S162 | F155-L158 HydrophobicContact CD1-CD2 4.24Å; F155-L158 HydrophobicContact CE1-CD2 4.48Å; F155-L158 PolarHBondContact O-N 3.09Å; M156-L158 VanDerWaalsContact C-N 3.3Å; M156-L158 PolarHBondContact O-N 3.19Å; L158-V160 VanDerWaalsContact C-N 3.33Å; L158-V160 PolarHBondContact O-N 2.94Å; L158-Y161 PolarHBondContact O-N 3.32Å; L158-S162 WeakPolarHBondContact O-CB 3.46Å; L158-S162 PolarHBondContact O-N 2.98Å; L158-S162 PolarHBondContact O-OG 2.97Å |
| 159 | H | 97.9 | Very high | 96.5 | Very high | 37 Ų | 37 | 65.7 Ų | 65.7 | 17% | 0.171 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.8 | -42.4 | 178.4 | -179.6 | 79.6 | 0 | 0 | 0 | 112.2 | Q134 Y142 F155 M156 S162 G163 | Q134-H159 PolarHBondContact NE2-CE1 2.89Å; Q134-H159 VanDerWaalsContact NE2-CE1 3.31Å; Q134-H159 PolarHBondContact NE2-ND1 3.18Å; Q134-H159 PolarHBondContact NE2-O 2.97Å; Y142-H159 HydrophobicContact CE2-CB 3.98Å; Y142-H159 AromaticContact CE2-CD2 3.97Å; Y142-H159 AromaticContact CE2-CG 3.68Å; Y142-H159 AromaticContact CE2-ND1 3.88Å; F155-H159 WeakPolarHBondContact O-CB 3.42Å; F155-H159 PolarHBondContact O-N 3.18Å; M156-H159 PolarHBondContact O-N 3.09Å; H159-S162 WeakPolarHBondContact CA-OG 3.22Å; H159-S162 PolarHBondContact O-OG 2.97Å; H159-G163 PolarHBondContact O-N 2.91Å; H159-G163 VanDerWaalsContact O-N 3.09Å |
| 160 | V | 98.1 | Very high | 96.9 | Very high | 75 Ų | 75 | 60.4 Ų | 60.4 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.7 | -48.3 | 177.1 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | M156 P157 L158 G163 L164 | M156-V160 WeakPolarHBondContact O-CG2 3.47Å; M156-V160 PolarHBondContact O-N 3.44Å; M156-V160 HydrophobicContact SD-CG2 4.14Å; P157-V160 PolarHBondContact O-N 3.2Å; L158-V160 VanDerWaalsContact C-N 3.33Å; L158-V160 PolarHBondContact O-N 2.94Å; V160-G163 PolarHBondContact O-N 3.1Å; V160-L164 HydrophobicContact CG1-CD1 4.41Å; V160-L164 WeakPolarHBondContact O-CG 3.4Å; V160-L164 PolarHBondContact O-N 3.46Å |
| 161 | Y | 98.3 | Very high | 97.2 | Very high | 149 Ų | 149 | 53.8 Ų | 53.8 | 58% | 0.584 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60.4 | -52.1 | 179.3 | 170.5 | -97.5 | 0 | 0 | 0 | 112 | P157 L158 G163 L164 F165 | P157-Y161 WeakPolarHBondContact O-CB 3.23Å; P157-Y161 PolarHBondContact O-N 2.93Å; L158-Y161 PolarHBondContact O-N 3.32Å; Y161-G163 VanDerWaalsContact C-N 3.3Å; Y161-G163 PolarHBondContact O-N 2.99Å; Y161-L164 PolarHBondContact O-N 3.01Å; Y161-F165 HydrophobicContact CE1-CB 4.39Å; Y161-F165 WeakPolarHBondContact O-CB 3.47Å; Y161-F165 PolarHBondContact O-N 3.21Å |
| 162 | S | 98.3 | Very high | 97.5 | Very high | 20 Ų | 20 | 53.1 Ų | 53.1 | 14% | 0.14 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61 | -39.1 | -178.7 | 58.9 | 0 | 0 | 0 | 0 | 111.5 | Q134 L158 H159 L164 F165 I166 | Q134-S162 PolarHBondContact NE2-OG 3.29Å; Q134-S162 VanDerWaalsContact NE2-OG 3.09Å; Q134-S162 PolarHBondContact OE1-OG 2.93Å; L158-S162 WeakPolarHBondContact O-CB 3.46Å; L158-S162 PolarHBondContact O-N 2.98Å; L158-S162 PolarHBondContact O-OG 2.97Å; H159-S162 WeakPolarHBondContact CA-OG 3.22Å; H159-S162 PolarHBondContact O-OG 2.97Å; S162-L164 PolarHBondContact O-N 3.46Å; S162-F165 PolarHBondContact O-N 3Å; S162-I166 WeakPolarHBondContact O-CB 3.43Å; S162-I166 WeakPolarHBondContact O-CD1 3.29Å; S162-I166 WeakPolarHBondContact O-CG1 3.46Å; S162-I166 PolarHBondContact O-N 2.97Å |
| 163 | G | 98.5 | Very high | 97.7 | Very high | 16 Ų | 16 | 50.9 Ų | 50.9 | 17% | 0.165 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.1 | -43 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | H159 V160 Y161 F167 | H159-G163 PolarHBondContact O-N 2.91Å; H159-G163 VanDerWaalsContact O-N 3.09Å; V160-G163 PolarHBondContact O-N 3.1Å; Y161-G163 VanDerWaalsContact C-N 3.3Å; Y161-G163 PolarHBondContact O-N 2.99Å; G163-F167 WeakPolarHBondContact O-CB 3.41Å; G163-F167 PolarHBondContact O-N 3.32Å; G163-F167 VanDerWaalsContact O-N 3.16Å |
| 164 | L | 98.6 | Very high | 98 | Very high | 35 Ų | 35 | 48.2 Ų | 48.2 | 18% | 0.183 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71.6 | -40 | 176.7 | -60.8 | 178.2 | 0 | 0 | 0 | 112 | I66 V160 Y161 S162 F167 A168 L216 A219 T220 | I66-L164 HydrophobicContact CG2-CD2 3.8Å; V160-L164 HydrophobicContact CG1-CD1 4.41Å; V160-L164 WeakPolarHBondContact O-CG 3.4Å; V160-L164 PolarHBondContact O-N 3.46Å; Y161-L164 PolarHBondContact O-N 3.01Å; S162-L164 PolarHBondContact O-N 3.46Å; L164-F167 PolarHBondContact O-N 3.48Å; L164-A168 PolarHBondContact O-N 3.48Å; L164-L216 HydrophobicContact CB-CD2 4.21Å; L164-L216 HydrophobicContact CD2-CD2 3.88Å; L164-A219 HydrophobicContact CD2-CB 3.74Å; L164-T220 HydrophobicContact CD1-CG2 4.26Å |
| 165 | F | 98.7 | Very high | 98.2 | Very high | 97 Ų | 97 | 47.4 Ų | 47.4 | 43% | 0.425 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.1 | -50.3 | 176.5 | 177.7 | -100.3 | 0 | 0 | 0 | 111.2 | Y161 S162 F167 A168 S169 | Y161-F165 HydrophobicContact CE1-CB 4.39Å; Y161-F165 WeakPolarHBondContact O-CB 3.47Å; Y161-F165 PolarHBondContact O-N 3.21Å; S162-F165 PolarHBondContact O-N 3Å; F165-F167 VanDerWaalsContact C-N 3.3Å; F165-F167 PolarHBondContact O-N 2.97Å; F165-A168 PolarHBondContact O-N 2.84Å; F165-S169 PolarHBondContact O-N 2.88Å; F165-S169 PolarHBondContact O-OG 3.38Å; F165-S169 VanDerWaalsContact O-OG 3.08Å |
| 166 | I | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.4 | -44.2 | 177.4 | -66.9 | 160.3 | 0 | 0 | 0 | 110.5 | L130 Y131 Q134 S162 A168 S169 V170 | L130-I166 HydrophobicContact CB-CD1 3.91Å; L130-I166 HydrophobicContact CB-CG1 3.96Å; Y131-I166 HydrophobicContact CD2-CG2 3.87Å; Q134-I166 HydrophobicContact CB-CD1 3.98Å; Q134-I166 HydrophobicContact CG-CD1 4.29Å; S162-I166 WeakPolarHBondContact O-CB 3.43Å; S162-I166 WeakPolarHBondContact O-CD1 3.29Å; S162-I166 WeakPolarHBondContact O-CG1 3.46Å; S162-I166 PolarHBondContact O-N 2.97Å; I166-A168 PolarHBondContact O-N 2.91Å; I166-S169 WeakPolarHBondContact O-CB 3.34Å; I166-S169 PolarHBondContact O-N 3.26Å; I166-V170 HydrophobicContact CG2-CG2 4.32Å; I166-V170 WeakPolarHBondContact O-CG2 3.46Å; I166-V170 PolarHBondContact O-N 2.83Å |
| 167 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61 | -43.5 | 177.9 | -178.7 | -118.1 | 0 | 0 | 0 | 112.6 | I59 Q62 I66 G163 L164 F165 V170 I171 F211 I215 L216 | I59-F167 WeakPolarHBondContact O-CE2 3.37Å; Q62-F167 HydrophobicContact CG-CD2 4.1Å; I66-F167 HydrophobicContact CD1-CB 3.58Å; I66-F167 HydrophobicContact CD1-CD1 3.91Å; I66-F167 HydrophobicContact CD1-CD2 3.89Å; I66-F167 HydrophobicContact CD1-CG 3.51Å; G163-F167 WeakPolarHBondContact O-CB 3.41Å; G163-F167 PolarHBondContact O-N 3.32Å; G163-F167 VanDerWaalsContact O-N 3.16Å; L164-F167 PolarHBondContact O-N 3.48Å; F165-F167 VanDerWaalsContact C-N 3.3Å; F165-F167 PolarHBondContact O-N 2.97Å; F167-V170 PolarHBondContact O-N 3.44Å; F167-I171 HydrophobicContact CD1-CD1 4.08Å; F167-I171 HydrophobicContact CE1-CD1 3.7Å; F167-I171 HydrophobicContact CE2-CD1 4.28Å; F167-I171 HydrophobicContact CZ-CD1 3.82Å; F167-I171 WeakPolarHBondContact O-CG1 3.33Å; F167-I171 PolarHBondContact O-N 3.47Å; F167-I171 VanDerWaalsContact O-N 3.09Å; F167-F211 HydrophobicContact CE2-CE1 4.26Å; F167-F211 HydrophobicContact CZ-CD1 4.22Å; F167-F211 AromaticContact CZ-CE1 3.81Å; F167-F211 HydrophobicContact CZ-CE1 3.81Å; F167-I215 HydrophobicContact CD1-CG2 4.24Å; F167-I215 HydrophobicContact CE1-CB 3.87Å; F167-I215 HydrophobicContact CE1-CG2 3.55Å; F167-I215 HydrophobicContact CZ-CB 4.15Å; F167-I215 HydrophobicContact CZ-CG1 4.4Å; F167-I215 HydrophobicContact CZ-CG2 3.94Å; F167-L216 HydrophobicContact CD1-CD2 4.07Å; F167-L216 HydrophobicContact CD1-CG 4.3Å; F167-L216 HydrophobicContact CE1-CG 4.43Å |
| 168 | A | 98.8 | Very high | 98.6 | Very high | 42 Ų | 42 | 38.9 Ų | 38.9 | 35% | 0.347 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.4 | -40.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L164 F165 I166 I171 A172 | L164-A168 PolarHBondContact O-N 3.48Å; F165-A168 PolarHBondContact O-N 2.84Å; I166-A168 PolarHBondContact O-N 2.91Å; A168-I171 PolarHBondContact O-N 2.86Å; A168-A172 PolarHBondContact O-N 3.3Å |
| 169 | S | 98.8 | Very high | 98.6 | Very high | 22 Ų | 22 | 37.1 Ų | 37.1 | 15% | 0.154 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.3 | -41 | 174.4 | -58.5 | 0 | 0 | 0 | 0 | 112.2 | F165 I166 I171 A172 T173 | F165-S169 PolarHBondContact O-N 2.88Å; F165-S169 PolarHBondContact O-OG 3.38Å; F165-S169 VanDerWaalsContact O-OG 3.08Å; I166-S169 WeakPolarHBondContact O-CB 3.34Å; I166-S169 PolarHBondContact O-N 3.26Å; S169-I171 VanDerWaalsContact C-N 3.34Å; S169-I171 PolarHBondContact O-N 2.89Å; S169-A172 PolarHBondContact O-N 3.38Å; S169-T173 WeakPolarHBondContact O-CB 3.27Å; S169-T173 PolarHBondContact O-N 2.84Å; S169-T173 PolarHBondContact O-OG1 2.98Å |
| 170 | V | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.024 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.7 | -42.3 | 175.9 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | F58 I59 A127 I166 F167 T173 A174 | F58-V170 HydrophobicContact CB-CG1 3.97Å; F58-V170 HydrophobicContact CD1-CB 4.47Å; F58-V170 HydrophobicContact CD1-CG1 3.94Å; F58-V170 HydrophobicContact CD1-CG2 3.59Å; F58-V170 HydrophobicContact CE1-CG2 3.87Å; F58-V170 HydrophobicContact CG-CG1 4.32Å; F58-V170 HydrophobicContact CG-CG2 4.45Å; I59-V170 HydrophobicContact CG1-CG1 3.92Å; A127-V170 HydrophobicContact CB-CG2 4.11Å; I166-V170 HydrophobicContact CG2-CG2 4.32Å; I166-V170 WeakPolarHBondContact O-CG2 3.46Å; I166-V170 PolarHBondContact O-N 2.83Å; F167-V170 PolarHBondContact O-N 3.44Å; V170-T173 PolarHBondContact O-N 2.95Å; V170-A174 WeakPolarHBondContact O-CB 3.36Å; V170-A174 PolarHBondContact O-N 2.95Å |
| 171 | I | 98.9 | Very high | 98.5 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 9% | 0.087 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.7 | -49.3 | 174.8 | -67.8 | 160.4 | 0 | 0 | 0 | 110.5 | F167 A168 S169 T173 A174 L175 I208 | F167-I171 HydrophobicContact CD1-CD1 4.08Å; F167-I171 HydrophobicContact CE1-CD1 3.7Å; F167-I171 HydrophobicContact CE2-CD1 4.28Å; F167-I171 HydrophobicContact CZ-CD1 3.82Å; F167-I171 WeakPolarHBondContact O-CG1 3.33Å; F167-I171 PolarHBondContact O-N 3.47Å; F167-I171 VanDerWaalsContact O-N 3.09Å; A168-I171 PolarHBondContact O-N 2.86Å; S169-I171 VanDerWaalsContact C-N 3.34Å; S169-I171 PolarHBondContact O-N 2.89Å; I171-T173 VanDerWaalsContact C-N 3.31Å; I171-T173 PolarHBondContact O-N 3.49Å; I171-A174 PolarHBondContact O-N 2.78Å; I171-A174 VanDerWaalsContact O-N 3.17Å; I171-L175 HydrophobicContact CG2-CD1 4.35Å; I171-L175 WeakPolarHBondContact O-CG 3.42Å; I171-L175 PolarHBondContact O-N 3.29Å; I171-I208 HydrophobicContact CG1-CG2 4.29Å; I171-I208 HydrophobicContact CG2-CG2 3.92Å |
| 172 | A | 98.8 | Very high | 98.5 | Very high | 45 Ų | 45 | 28.4 Ų | 28.4 | 37% | 0.372 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -57.9 | -44.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A168 S169 A174 L175 M176 | A168-A172 PolarHBondContact O-N 3.3Å; S169-A172 PolarHBondContact O-N 3.38Å; A172-A174 PolarHBondContact O-N 3.15Å; A172-L175 PolarHBondContact O-N 3.38Å; A172-M176 WeakPolarHBondContact O-CG 3.28Å; A172-M176 PolarHBondContact O-N 3.39Å |
| 173 | T | 98.8 | Very high | 98.4 | Very high | 13 Ų | 13 | 31.9 Ų | 31.9 | 8% | 0.08 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60 | -43.9 | 175.4 | -63.7 | 0 | 0 | 0 | 0 | 112.1 | H120 V123 G124 S169 V170 I171 L175 M176 G177 | H120-T173 PolarHBondContact CE1-O 3.43Å; H120-T173 WeakPolarHBondContact ND1-CG2 3.26Å; H120-T173 PolarHBondContact ND1-O 3.23Å; V123-T173 VanDerWaalsContact CG1-OG1 3.31Å; V123-T173 WeakPolarHBondContact CG1-OG1 3.38Å; G124-T173 VanDerWaalsContact CA-CG2 3.5Å; S169-T173 WeakPolarHBondContact O-CB 3.27Å; S169-T173 PolarHBondContact O-N 2.84Å; S169-T173 PolarHBondContact O-OG1 2.98Å; V170-T173 PolarHBondContact O-N 2.95Å; I171-T173 VanDerWaalsContact C-N 3.31Å; I171-T173 PolarHBondContact O-N 3.49Å; T173-L175 VanDerWaalsContact C-N 3.34Å; T173-L175 PolarHBondContact O-N 3.19Å; T173-M176 PolarHBondContact O-N 3.07Å; T173-G177 PolarHBondContact O-N 3.02Å |
| 174 | A | 98.8 | Very high | 98.2 | Very high | 10 Ų | 10 | 36.7 Ų | 36.7 | 8% | 0.083 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.3 | -40.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | I54 I59 V170 I171 A172 G177 I178 | I54-A174 HydrophobicContact CG2-CB 4.42Å; I59-A174 HydrophobicContact CD1-CB 3.65Å; V170-A174 WeakPolarHBondContact O-CB 3.36Å; V170-A174 PolarHBondContact O-N 2.95Å; I171-A174 PolarHBondContact O-N 2.78Å; I171-A174 VanDerWaalsContact O-N 3.17Å; A172-A174 PolarHBondContact O-N 3.15Å; A174-G177 PolarHBondContact O-N 3.25Å; A174-I178 WeakPolarHBondContact O-CB 2.92Å; A174-I178 WeakPolarHBondContact O-CG1 3.42Å; A174-I178 PolarHBondContact O-N 2.65Å |
| 175 | L | 98.9 | Very high | 97.9 | Very high | 53 Ų | 53 | 36.8 Ų | 36.8 | 28% | 0.277 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.5 | -41.4 | 175.4 | -61.8 | 176.7 | 0 | 0 | 0 | 112.1 | I171 A172 T173 T179 V209 | I171-L175 HydrophobicContact CG2-CD1 4.35Å; I171-L175 WeakPolarHBondContact O-CG 3.42Å; I171-L175 PolarHBondContact O-N 3.29Å; A172-L175 PolarHBondContact O-N 3.38Å; T173-L175 VanDerWaalsContact C-N 3.34Å; T173-L175 PolarHBondContact O-N 3.19Å; L175-T179 WeakPolarHBondContact O-CB 3.27Å; L175-T179 PolarHBondContact O-N 2.94Å; L175-T179 PolarHBondContact O-OG1 3.23Å; L175-V209 HydrophobicContact CD1-CG2 3.65Å; L175-V209 HydrophobicContact CD2-CG2 4.12Å; L175-V209 HydrophobicContact CG-CG2 4.42Å |
| 176 | M | 98.8 | Very high | 97.7 | Very high | 51 Ų | 51 | 33 Ų | 33 | 25% | 0.251 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.5 | -45.2 | 173.2 | -68.7 | -175.9 | -70 | 0 | 0 | 111 | L119 H120 V123 A172 T173 T179 E180 | L119-M176 HydrophobicContact CD2-SD 4.1Å; L119-M176 HydrophobicContact CG-SD 4.12Å; H120-M176 HydrophobicContact CB-CB 3.95Å; V123-M176 HydrophobicContact CB-CE 3.94Å; V123-M176 HydrophobicContact CG1-CE 4.17Å; V123-M176 HydrophobicContact CG2-CE 4.12Å; A172-M176 WeakPolarHBondContact O-CG 3.28Å; A172-M176 PolarHBondContact O-N 3.39Å; T173-M176 PolarHBondContact O-N 3.07Å; M176-T179 WeakPolarHBondContact O-CB 3.26Å; M176-T179 PolarHBondContact O-N 2.71Å; M176-E180 WeakPolarHBondContact O-CG 3.39Å; M176-E180 PolarHBondContact O-N 3.18Å |
| 177 | G | 98.6 | Very high | 97.4 | Very high | 15 Ų | 15 | 40.4 Ų | 40.4 | 16% | 0.155 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.6 | -41.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | H120 T173 A174 T179 E180 K181 | H120-G177 VanDerWaalsContact CE1-CA 3.5Å; H120-G177 WeakPolarHBondContact CE1-CA 3.35Å; H120-G177 WeakPolarHBondContact ND1-CA 3.32Å; H120-G177 PolarHBondContact ND1-N 2.84Å; T173-G177 PolarHBondContact O-N 3.02Å; A174-G177 PolarHBondContact O-N 3.25Å; G177-T179 VanDerWaalsContact C-N 3.33Å; G177-E180 PolarHBondContact O-N 2.99Å; G177-K181 WeakPolarHBondContact O-CB 3.24Å; G177-K181 PolarHBondContact O-N 3.09Å |
| 178 | I | 98.6 | Very high | 97 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 7% | 0.067 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.7 | -47.9 | 171.5 | -75.5 | 168.2 | 0 | 0 | 0 | 110.1 | W30 A174 K181 L182 V201 L204 I208 | W30-I178 HydrophobicContact CZ3-CG1 4.39Å; A174-I178 WeakPolarHBondContact O-CB 2.92Å; A174-I178 WeakPolarHBondContact O-CG1 3.42Å; A174-I178 PolarHBondContact O-N 2.65Å; I178-K181 PolarHBondContact O-N 3.23Å; I178-L182 HydrophobicContact CG2-CD1 3.98Å; I178-L182 HydrophobicContact CG2-CG 4.41Å; I178-L182 WeakPolarHBondContact O-CG 3.35Å; I178-L182 PolarHBondContact O-N 2.91Å; I178-V201 HydrophobicContact CG2-CG1 3.54Å; I178-L204 HydrophobicContact CD1-CD2 4.47Å; I178-L204 HydrophobicContact CD1-CG 4.42Å; I178-I208 HydrophobicContact CD1-CD1 3.89Å |
| 179 | T | 98.4 | Very high | 96.8 | Very high | 61 Ų | 61 | 49 Ų | 49 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.6 | -47.9 | -179.3 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | L175 M176 G177 K181 L182 I183 | L175-T179 WeakPolarHBondContact O-CB 3.27Å; L175-T179 PolarHBondContact O-N 2.94Å; L175-T179 PolarHBondContact O-OG1 3.23Å; M176-T179 WeakPolarHBondContact O-CB 3.26Å; M176-T179 PolarHBondContact O-N 2.71Å; G177-T179 VanDerWaalsContact C-N 3.33Å; T179-K181 PolarHBondContact O-N 2.9Å; T179-L182 PolarHBondContact O-N 3.34Å; T179-I183 HydrophobicContact CG2-CD1 3.69Å; T179-I183 HydrophobicContact CG2-CG1 4.46Å; T179-I183 WeakPolarHBondContact O-CB 3.41Å; T179-I183 VanDerWaalsContact O-CG1 3.26Å; T179-I183 WeakPolarHBondContact O-CG1 3.37Å; T179-I183 PolarHBondContact O-N 3.4Å |
| 180 | E | 97.5 | Very high | 96.7 | Very high | 47 Ų | 47 | 53 Ų | 53 | 22% | 0.22 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.7 | -49.3 | 174.7 | -76.6 | -179.2 | -171.7 | 0 | 0 | 111 | S118 H120 M176 G177 L182 I183 F184 | S118-E180 VanDerWaalsContact CB-OE1 3.29Å; S118-E180 WeakPolarHBondContact CB-OE1 3.15Å; S118-E180 PolarHBondContact OG-OE1 2.78Å; S118-E180 PolarHBondContact OG-OE2 2.79Å; H120-E180 VanDerWaalsContact CB-CD 3.5Å; H120-E180 WeakPolarHBondContact CB-OE1 3.48Å; H120-E180 WeakPolarHBondContact CB-OE2 3.29Å; H120-E180 IonicContact CD2-OE2 3.74Å; H120-E180 IonicContact CG-OE2 3.83Å; M176-E180 WeakPolarHBondContact O-CG 3.39Å; M176-E180 PolarHBondContact O-N 3.18Å; G177-E180 PolarHBondContact O-N 2.99Å; E180-L182 PolarHBondContact O-N 3.34Å; E180-I183 PolarHBondContact O-N 3.34Å; E180-F184 HydrophobicContact CB-CD2 4.23Å; E180-F184 HydrophobicContact CB-CE2 3.84Å; E180-F184 HydrophobicContact CG-CE2 4.18Å; E180-F184 WeakPolarHBondContact O-CB 3.48Å; E180-F184 WeakPolarHBondContact O-CD2 3.14Å; E180-F184 WeakPolarHBondContact O-CG 3.26Å; E180-F184 PolarHBondContact O-N 3.45Å |
| 181 | K | 96.9 | Very high | 96.6 | Very high | 31 Ų | 31 | 56 Ų | 56 | 14% | 0.135 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.6 | -37.6 | -178 | -172.5 | 61.4 | 172.9 | -166.9 | 0 | 112.8 | W30 F47 G177 I178 T179 G185 | W30-K181 HydrophobicContact CH2-CB 4.15Å; W30-K181 HydrophobicContact CH2-CG 3.88Å; W30-K181 HydrophobicContact CZ2-CB 4.35Å; W30-K181 HydrophobicContact CZ2-CG 3.76Å; F47-K181 HydrophobicContact CD1-CD 4.33Å; F47-K181 HydrophobicContact CE1-CD 3.56Å; F47-K181 VanDerWaalsContact CE1-CE 3.47Å; F47-K181 HydrophobicContact CE1-CG 4.24Å; F47-K181 VanDerWaalsContact CE1-NZ 3.33Å; F47-K181 HydrophobicContact CZ-CD 4.05Å; G177-K181 WeakPolarHBondContact O-CB 3.24Å; G177-K181 PolarHBondContact O-N 3.09Å; I178-K181 PolarHBondContact O-N 3.23Å; T179-K181 PolarHBondContact O-N 2.9Å; K181-G185 WeakPolarHBondContact O-CA 3.18Å; K181-G185 PolarHBondContact O-N 3.4Å |
| 182 | L | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.6 | -44.2 | 176.2 | -70.4 | 178.7 | 0 | 0 | 0 | 111.7 | W30 I178 T179 E180 F184 L186 Y191 V201 | W30-L182 HydrophobicContact CZ2-CD2 4.46Å; I178-L182 HydrophobicContact CG2-CD1 3.98Å; I178-L182 HydrophobicContact CG2-CG 4.41Å; I178-L182 WeakPolarHBondContact O-CG 3.35Å; I178-L182 PolarHBondContact O-N 2.91Å; T179-L182 PolarHBondContact O-N 3.34Å; E180-L182 PolarHBondContact O-N 3.34Å; L182-F184 PolarHBondContact O-N 3.45Å; L182-L186 HydrophobicContact CB-CD1 4.4Å; L182-L186 HydrophobicContact CD2-CD1 3.92Å; L182-L186 VanDerWaalsContact O-CB 3.29Å; L182-L186 WeakPolarHBondContact O-CB 3.41Å; L182-L186 PolarHBondContact O-N 2.83Å; L182-Y191 HydrophobicContact CB-CD2 4Å; L182-Y191 HydrophobicContact CB-CE2 4.12Å; L182-Y191 HydrophobicContact CB-CG 4.4Å; L182-Y191 HydrophobicContact CD1-CD2 4.31Å; L182-Y191 HydrophobicContact CD1-CE2 3.71Å; L182-V201 HydrophobicContact CD1-CB 3.99Å; L182-V201 HydrophobicContact CD1-CG1 3.88Å; L182-V201 HydrophobicContact CD2-CB 3.95Å; L182-V201 HydrophobicContact CD2-CG1 4.05Å; L182-V201 HydrophobicContact CD2-CG2 4.18Å; L182-V201 HydrophobicContact CG-CB 4.4Å; L182-V201 HydrophobicContact CG-CG1 4.13Å |
| 183 | I | 96.9 | Very high | 96.4 | Very high | 93 Ų | 93 | 65.3 Ų | 65.3 | 48% | 0.477 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 178.6 | -69.4 | 170.8 | 0 | 0 | 0 | 110.9 | T179 E180 Y191 | T179-I183 HydrophobicContact CG2-CD1 3.69Å; T179-I183 HydrophobicContact CG2-CG1 4.46Å; T179-I183 WeakPolarHBondContact O-CB 3.41Å; T179-I183 VanDerWaalsContact O-CG1 3.26Å; T179-I183 WeakPolarHBondContact O-CG1 3.37Å; T179-I183 PolarHBondContact O-N 3.4Å; E180-I183 PolarHBondContact O-N 3.34Å; I183-Y191 HydrophobicContact CG1-CD1 3.99Å; I183-Y191 HydrophobicContact CG1-CE1 4.48Å |
| 184 | F | 93 | Very high | 96.3 | Very high | 117 Ų | 117 | 67.9 Ų | 67.9 | 51% | 0.513 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -79.3 | -33.7 | -178.6 | -57.6 | -30.3 | 0 | 0 | 0 | 113.2 | E180 L182 | E180-F184 HydrophobicContact CB-CD2 4.23Å; E180-F184 HydrophobicContact CB-CE2 3.84Å; E180-F184 HydrophobicContact CG-CE2 4.18Å; E180-F184 WeakPolarHBondContact O-CB 3.48Å; E180-F184 WeakPolarHBondContact O-CD2 3.14Å; E180-F184 WeakPolarHBondContact O-CG 3.26Å; E180-F184 PolarHBondContact O-N 3.45Å; L182-F184 PolarHBondContact O-N 3.45Å |
| 185 | G | 92.1 | Very high | 96.3 | Very high | 37 Ų | 37 | 67.9 Ų | 67.9 | 38% | 0.381 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -83.4 | -32 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | K181 K187 | K181-G185 WeakPolarHBondContact O-CA 3.18Å; K181-G185 PolarHBondContact O-N 3.4Å; G185-K187 PolarHBondContact O-N 2.8Å |
| 186 | L | 95.4 | Very high | 96.2 | Very high | 18 Ų | 18 | 70.1 Ų | 70.1 | 9% | 0.094 | 37% | 0.369 | C | S | . | . | trans | -95.3 | 90.3 | -176.2 | -65.8 | 174.3 | 0 | 0 | 0 | 111.5 | L182 K190 Y191 P195 E197 A198 | L182-L186 HydrophobicContact CB-CD1 4.4Å; L182-L186 HydrophobicContact CD2-CD1 3.92Å; L182-L186 VanDerWaalsContact O-CB 3.29Å; L182-L186 WeakPolarHBondContact O-CB 3.41Å; L182-L186 PolarHBondContact O-N 2.83Å; L186-K190 WeakPolarHBondContact O-CA 3.23Å; L186-Y191 HydrophobicContact CD1-CD2 3.93Å; L186-P195 HydrophobicContact CD1-CG 3.93Å; L186-P195 HydrophobicContact CD2-CG 4.31Å; L186-E197 HydrophobicContact CD2-CB 4.26Å; L186-E197 WeakPolarHBondContact CD2-OE2 3.31Å; L186-A198 HydrophobicContact CD1-CB 3.74Å | ||
| 187 | K | 92.9 | Very high | 96.2 | Very high | 159 Ų | 159 | 68.6 Ų | 68.6 | 69% | 0.691 | 36% | 0.362 | S | S | * | . | B | Isolated β-bridge | trans | -93.6 | -38.8 | -178.7 | -65.5 | -176.6 | -178.8 | 177.5 | 0 | 114 | G185 K190 | G185-K187 PolarHBondContact O-N 2.8Å; K187-K190 WeakPolarHBondContact O-CG 3.34Å |
| 188 | N | 91.1 | Very high | 96.2 | Very high | 147 Ų | 147 | 67.9 Ų | 67.9 | 79% | 0.786 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -156.1 | 110.8 | 178.1 | -82.8 | -31.8 | 0 | 0 | 0 | 109.8 | ||
| 189 | P | 93.1 | Very high | 96.2 | Very high | 75 Ų | 75 | 70.9 Ų | 70.9 | 49% | 0.487 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -59 | 153.5 | -8.9 | 26.1 | -35.9 | 0 | 0 | 0 | 112.9 | P195 | P189-P195 HydrophobicContact CB-CB 4.14Å; P189-P195 HydrophobicContact CB-CG 4.44Å; P189-P195 HydrophobicContact CG-CB 3.48Å; P189-P195 VanDerWaalsContact CG-CB 3.48Å; P189-P195 HydrophobicContact CG-CG 4.06Å |
| 190 | K | 96.7 | Very high | 96.2 | Very high | 108 Ų | 108 | 70.3 Ų | 70.3 | 47% | 0.47 | 36% | 0.363 | S | S | . | . | B | Isolated β-bridge | trans | -80.1 | 158.2 | -179.8 | -67 | 178.7 | 179.2 | -179.6 | 0 | 110.5 | L186 K187 K192 D193 P195 | L186-K190 WeakPolarHBondContact O-CA 3.23Å; K187-K190 WeakPolarHBondContact O-CG 3.34Å; K190-K192 VanDerWaalsContact C-N 3.25Å; K190-K192 HydrophobicContact CB-CG 4.15Å; K190-K192 PolarHBondContact O-N 2.63Å; K190-D193 WeakPolarHBondContact CB-OD2 3.1Å; K190-D193 PolarHBondContact N-OD2 2.75Å; K190-D193 VanDerWaalsContact N-OD2 3.09Å; K190-D193 WeakPolarHBondContact O-CB 3.26Å; K190-D193 PolarHBondContact O-N 3Å; K190-P195 WeakPolarHBondContact O-CD 3.34Å |
| 191 | Y | 97 | Very high | 96.2 | Very high | 66 Ų | 66 | 68 Ų | 68 | 26% | 0.259 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -52.2 | -41.4 | 178.3 | 179.2 | -130 | 0 | 0 | 0 | 113.7 | L182 I183 L186 D193 S194 A198 N202 | L182-Y191 HydrophobicContact CB-CD2 4Å; L182-Y191 HydrophobicContact CB-CE2 4.12Å; L182-Y191 HydrophobicContact CB-CG 4.4Å; L182-Y191 HydrophobicContact CD1-CD2 4.31Å; L182-Y191 HydrophobicContact CD1-CE2 3.71Å; I183-Y191 HydrophobicContact CG1-CD1 3.99Å; I183-Y191 HydrophobicContact CG1-CE1 4.48Å; L186-Y191 HydrophobicContact CD1-CD2 3.93Å; Y191-D193 PolarHBondContact O-N 3.38Å; Y191-S194 PolarHBondContact O-N 3.39Å; Y191-S194 VanDerWaalsContact O-N 3.09Å; Y191-A198 HydrophobicContact CD2-CB 3.54Å; Y191-A198 HydrophobicContact CE2-CB 3.71Å; Y191-N202 PolarHBondContact OH-ND2 3.4Å; Y191-N202 PolarHBondContact OH-OD1 3.35Å |
| 192 | K | 96.8 | Very high | 96.3 | Very high | 165 Ų | 165 | 69.2 Ų | 69.2 | 72% | 0.717 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -62.8 | -20.3 | 178.9 | 66.9 | 165.9 | -168.1 | 167.6 | 0 | 114.7 | K190 S194 | K190-K192 VanDerWaalsContact C-N 3.25Å; K190-K192 HydrophobicContact CB-CG 4.15Å; K190-K192 PolarHBondContact O-N 2.63Å; K192-S194 PolarHBondContact O-N 3.05Å |
| 193 | D | 97.3 | Very high | 96.4 | Very high | 92 Ų | 92 | 72.5 Ų | 72.5 | 49% | 0.492 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -86.4 | 5.9 | -179.4 | -50.1 | -42.8 | 0 | 0 | 0 | 110.9 | K190 Y191 | K190-D193 WeakPolarHBondContact CB-OD2 3.1Å; K190-D193 PolarHBondContact N-OD2 2.75Å; K190-D193 VanDerWaalsContact N-OD2 3.09Å; K190-D193 WeakPolarHBondContact O-CB 3.26Å; K190-D193 PolarHBondContact O-N 3Å; Y191-D193 PolarHBondContact O-N 3.38Å |
| 194 | S | 96.4 | Very high | 96.4 | Very high | 68 Ų | 68 | 68.1 Ų | 68.1 | 48% | 0.476 | 36% | 0.357 | S | S | . | . | trans | 51.4 | 51.9 | 176.9 | -62.3 | 0 | 0 | 0 | 0 | 114.1 | Y191 K192 N199 | Y191-S194 PolarHBondContact O-N 3.39Å; Y191-S194 VanDerWaalsContact O-N 3.09Å; K192-S194 PolarHBondContact O-N 3.05Å; S194-N199 PolarHBondContact O-ND2 3.01Å | ||
| 195 | P | 97.8 | Very high | 96.7 | Very high | 10 Ų | 10 | 62.9 Ų | 62.9 | 7% | 0.065 | 34% | 0.336 | C | S | . | . | trans | -62.8 | 162.9 | 177.2 | 28.5 | -36 | 0 | 0 | 0 | 112 | L186 P189 K190 E197 A198 N199 | L186-P195 HydrophobicContact CD1-CG 3.93Å; L186-P195 HydrophobicContact CD2-CG 4.31Å; P189-P195 HydrophobicContact CB-CB 4.14Å; P189-P195 HydrophobicContact CB-CG 4.44Å; P189-P195 HydrophobicContact CG-CB 3.48Å; P189-P195 VanDerWaalsContact CG-CB 3.48Å; P189-P195 HydrophobicContact CG-CG 4.06Å; K190-P195 WeakPolarHBondContact O-CD 3.34Å; P195-E197 PolarHBondContact O-N 3.48Å; P195-E197 VanDerWaalsContact O-N 3.13Å; P195-A198 HydrophobicContact CG-CB 3.76Å; P195-A198 WeakPolarHBondContact O-CA 3.37Å; P195-A198 WeakPolarHBondContact O-CB 3.38Å; P195-A198 PolarHBondContact O-N 3.4Å; P195-N199 PolarHBondContact O-N 3.34Å; P195-N199 VanDerWaalsContact O-N 3.12Å | ||
| 196 | P | 98.1 | Very high | 97 | Very high | 100 Ų | 100 | 65.5 Ų | 65.5 | 65% | 0.649 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -52.6 | -40.2 | -177.1 | -29.1 | 36 | 0 | 0 | 0 | 113.9 | F34 F200 | F34-P196 HydrophobicContact CE1-CB 4.36Å; P196-F200 VanDerWaalsContact O-CB 3.24Å; P196-F200 WeakPolarHBondContact O-CB 3.42Å; P196-F200 PolarHBondContact O-N 2.92Å |
| 197 | E | 98.1 | Very high | 97.2 | Very high | 19 Ų | 19 | 66.2 Ų | 66.2 | 9% | 0.089 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 174.8 | -172.5 | -176.1 | 165.4 | 0 | 0 | 111.8 | W30 F34 K35 L186 P195 N199 F200 V201 | W30-E197 PolarHBondContact NE1-OE1 3.39Å; F34-E197 HydrophobicContact CB-CB 4.36Å; F34-E197 HydrophobicContact CB-CG 3.73Å; F34-E197 HydrophobicContact CD1-CB 3.54Å; F34-E197 HydrophobicContact CD1-CG 3.84Å; F34-E197 HydrophobicContact CD2-CG 4.36Å; F34-E197 HydrophobicContact CE1-CB 3.88Å; F34-E197 HydrophobicContact CE1-CG 4.5Å; F34-E197 HydrophobicContact CG-CB 3.99Å; F34-E197 HydrophobicContact CG-CG 3.74Å; K35-E197 WeakPolarHBondContact CE-OE1 3.42Å; K35-E197 VanDerWaalsContact NZ-CD 3.32Å; K35-E197 IonicContact NZ-OE1 2.63Å; K35-E197 PolarHBondContact NZ-OE1 2.85Å; K35-E197 IonicContact NZ-OE2 3.23Å; K35-E197 PolarHBondContact NZ-OE2 2.91Å; L186-E197 HydrophobicContact CD2-CB 4.26Å; L186-E197 WeakPolarHBondContact CD2-OE2 3.31Å; P195-E197 PolarHBondContact O-N 3.48Å; P195-E197 VanDerWaalsContact O-N 3.13Å; E197-N199 PolarHBondContact O-N 2.82Å; E197-F200 PolarHBondContact O-N 2.84Å; E197-V201 HydrophobicContact CG-CG2 4.17Å; E197-V201 WeakPolarHBondContact O-CB 3.2Å; E197-V201 VanDerWaalsContact O-CG2 3.24Å; E197-V201 WeakPolarHBondContact O-CG2 3.19Å; E197-V201 PolarHBondContact O-N 3.47Å |
| 198 | A | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.1 | -49.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L186 Y191 P195 F200 V201 N202 | L186-A198 HydrophobicContact CD1-CB 3.74Å; Y191-A198 HydrophobicContact CD2-CB 3.54Å; Y191-A198 HydrophobicContact CE2-CB 3.71Å; P195-A198 HydrophobicContact CG-CB 3.76Å; P195-A198 WeakPolarHBondContact O-CA 3.37Å; P195-A198 WeakPolarHBondContact O-CB 3.38Å; P195-A198 PolarHBondContact O-N 3.4Å; A198-F200 VanDerWaalsContact C-N 3.34Å; A198-F200 PolarHBondContact O-N 2.9Å; A198-V201 PolarHBondContact O-N 3.38Å; A198-N202 VanDerWaalsContact O-CB 3.28Å; A198-N202 WeakPolarHBondContact O-CB 3.46Å; A198-N202 PolarHBondContact O-N 3.41Å; A198-N202 PolarHBondContact O-ND2 3.12Å |
| 199 | N | 98.3 | Very high | 97.9 | Very high | 76 Ų | 76 | 54.9 Ų | 54.9 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | -179.9 | -66.9 | -26.7 | 0 | 0 | 0 | 111.2 | S194 P195 E197 V201 N202 V203 | S194-N199 PolarHBondContact O-ND2 3.01Å; P195-N199 PolarHBondContact O-N 3.34Å; P195-N199 VanDerWaalsContact O-N 3.12Å; E197-N199 PolarHBondContact O-N 2.82Å; N199-V201 PolarHBondContact O-N 2.98Å; N199-N202 PolarHBondContact O-N 2.99Å; N199-V203 WeakPolarHBondContact O-CG2 3.19Å; N199-V203 PolarHBondContact O-N 3.33Å |
| 200 | F | 98.6 | Very high | 98.1 | Very high | 48 Ų | 48 | 54.4 Ų | 54.4 | 21% | 0.211 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 179.3 | -175.3 | -97.1 | 0 | 0 | 0 | 112.3 | F26 R29 W30 F34 P196 E197 A198 V203 L204 | F26-F200 HydrophobicContact CB-CE1 4.3Å; F26-F200 HydrophobicContact CB-CZ 4.19Å; F26-F200 HydrophobicContact CD1-CD1 4.29Å; F26-F200 HydrophobicContact CD1-CD2 4.16Å; F26-F200 AromaticContact CD1-CE1 3.81Å; F26-F200 HydrophobicContact CD1-CE1 3.81Å; F26-F200 AromaticContact CD1-CE2 3.66Å; F26-F200 HydrophobicContact CD1-CE2 3.66Å; F26-F200 HydrophobicContact CD1-CG 4.45Å; F26-F200 AromaticContact CD1-CZ 3.46Å; F26-F200 HydrophobicContact CD1-CZ 3.46Å; F26-F200 VanDerWaalsContact CD1-CZ 3.46Å; F26-F200 HydrophobicContact CD2-CZ 4.23Å; F26-F200 AromaticContact CE1-CD2 3.85Å; F26-F200 HydrophobicContact CE1-CD2 3.85Å; F26-F200 HydrophobicContact CE1-CE1 4.44Å; F26-F200 AromaticContact CE1-CE2 3.48Å; F26-F200 HydrophobicContact CE1-CE2 3.48Å; F26-F200 VanDerWaalsContact CE1-CE2 3.48Å; F26-F200 HydrophobicContact CE1-CG 4.46Å; F26-F200 AromaticContact CE1-CZ 3.81Å; F26-F200 HydrophobicContact CE1-CZ 3.81Å; F26-F200 HydrophobicContact CE2-CE2 4.41Å; F26-F200 HydrophobicContact CG-CE1 4.18Å; F26-F200 HydrophobicContact CG-CE2 4.21Å; F26-F200 AromaticContact CG-CZ 3.7Å; F26-F200 HydrophobicContact CG-CZ 3.7Å; F26-F200 AromaticContact CZ-CE2 3.9Å; F26-F200 HydrophobicContact CZ-CE2 3.9Å; F26-F200 HydrophobicContact CZ-CZ 4.35Å; F26-F200 WeakPolarHBondContact O-CE1 3Å; R29-F200 HydrophobicContact CB-CE1 4.16Å; R29-F200 HydrophobicContact CB-CZ 3.89Å; R29-F200 HydrophobicContact CG-CE1 4.16Å; R29-F200 HydrophobicContact CG-CZ 3.77Å; W30-F200 HydrophobicContact CB-CE1 4.37Å; F34-F200 HydrophobicContact CD2-CD1 4.29Å; F34-F200 HydrophobicContact CE2-CB 4.17Å; F34-F200 AromaticContact CE2-CD1 3.7Å; F34-F200 HydrophobicContact CE2-CD1 3.7Å; F34-F200 HydrophobicContact CE2-CE1 4.22Å; F34-F200 AromaticContact CE2-CG 3.87Å; F34-F200 HydrophobicContact CE2-CG 3.87Å; F34-F200 HydrophobicContact CZ-CB 4.27Å; F34-F200 HydrophobicContact CZ-CG 4.36Å; P196-F200 VanDerWaalsContact O-CB 3.24Å; P196-F200 WeakPolarHBondContact O-CB 3.42Å; P196-F200 PolarHBondContact O-N 2.92Å; E197-F200 PolarHBondContact O-N 2.84Å; A198-F200 VanDerWaalsContact C-N 3.34Å; A198-F200 PolarHBondContact O-N 2.9Å; F200-V203 WeakPolarHBondContact O-CB 3.25Å; F200-V203 PolarHBondContact O-N 2.92Å; F200-L204 PolarHBondContact O-N 3Å; F200-L204 VanDerWaalsContact O-N 3.12Å |
| 201 | V | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -76.9 | -29.1 | -178.8 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | W30 I178 L182 E197 A198 N199 V203 L204 G205 | W30-V201 HydrophobicContact CB-CG2 4.29Å; W30-V201 HydrophobicContact CD2-CG1 4.15Å; W30-V201 HydrophobicContact CD2-CG2 3.64Å; W30-V201 HydrophobicContact CE3-CG1 4.17Å; W30-V201 HydrophobicContact CE3-CG2 4.39Å; W30-V201 HydrophobicContact CG-CG2 3.54Å; W30-V201 HydrophobicContact CH2-CG1 4.09Å; W30-V201 HydrophobicContact CZ2-CG1 4.06Å; W30-V201 HydrophobicContact CZ2-CG2 4.3Å; W30-V201 HydrophobicContact CZ3-CG1 4.15Å; I178-V201 HydrophobicContact CG2-CG1 3.54Å; L182-V201 HydrophobicContact CD1-CB 3.99Å; L182-V201 HydrophobicContact CD1-CG1 3.88Å; L182-V201 HydrophobicContact CD2-CB 3.95Å; L182-V201 HydrophobicContact CD2-CG1 4.05Å; L182-V201 HydrophobicContact CD2-CG2 4.18Å; L182-V201 HydrophobicContact CG-CB 4.4Å; L182-V201 HydrophobicContact CG-CG1 4.13Å; E197-V201 HydrophobicContact CG-CG2 4.17Å; E197-V201 WeakPolarHBondContact O-CB 3.2Å; E197-V201 VanDerWaalsContact O-CG2 3.24Å; E197-V201 WeakPolarHBondContact O-CG2 3.19Å; E197-V201 PolarHBondContact O-N 3.47Å; A198-V201 PolarHBondContact O-N 3.38Å; N199-V201 PolarHBondContact O-N 2.98Å; V201-V203 VanDerWaalsContact C-N 3.33Å; V201-L204 WeakPolarHBondContact O-CB 3.18Å; V201-L204 PolarHBondContact O-N 3.13Å; V201-G205 PolarHBondContact O-N 2.95Å |
| 202 | N | 98.7 | Very high | 98.3 | Very high | 55 Ų | 55 | 46.2 Ų | 46.2 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 168.9 | -76 | -15.2 | 0 | 0 | 0 | 111.7 | Y191 A198 N199 L204 G205 V206 | Y191-N202 PolarHBondContact OH-ND2 3.4Å; Y191-N202 PolarHBondContact OH-OD1 3.35Å; A198-N202 VanDerWaalsContact O-CB 3.28Å; A198-N202 WeakPolarHBondContact O-CB 3.46Å; A198-N202 PolarHBondContact O-N 3.41Å; A198-N202 PolarHBondContact O-ND2 3.12Å; N199-N202 PolarHBondContact O-N 2.99Å; N202-L204 VanDerWaalsContact C-N 3.33Å; N202-L204 PolarHBondContact O-N 3.05Å; N202-G205 PolarHBondContact O-N 2.87Å; N202-G205 VanDerWaalsContact O-N 3.16Å; N202-V206 PolarHBondContact O-N 3.46Å |
| 203 | V | 98.8 | Very high | 98.4 | Very high | 70 Ų | 70 | 41.1 Ų | 41.1 | 42% | 0.424 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.8 | -41.1 | 172.3 | 172.4 | 0 | 0 | 0 | 0 | 111 | F26 N199 F200 V201 G205 V206 L207 | F26-V203 HydrophobicContact CD1-CG1 4.43Å; F26-V203 HydrophobicContact CE1-CB 4.09Å; F26-V203 HydrophobicContact CE1-CG1 3.61Å; F26-V203 HydrophobicContact CZ-CG1 4.12Å; N199-V203 WeakPolarHBondContact O-CG2 3.19Å; N199-V203 PolarHBondContact O-N 3.33Å; F200-V203 WeakPolarHBondContact O-CB 3.25Å; F200-V203 PolarHBondContact O-N 2.92Å; V201-V203 VanDerWaalsContact C-N 3.33Å; V203-G205 VanDerWaalsContact C-N 3.33Å; V203-G205 PolarHBondContact O-N 3.44Å; V203-V206 PolarHBondContact O-N 3.13Å; V203-L207 HydrophobicContact CG1-CD1 4.07Å; V203-L207 HydrophobicContact CG1-CG 4.29Å; V203-L207 VanDerWaalsContact O-CG 3.28Å; V203-L207 WeakPolarHBondContact O-CG 3.36Å; V203-L207 PolarHBondContact O-N 3.49Å |
| 204 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.9 | -45.9 | 171.2 | 170.1 | 61.8 | 0 | 0 | 0 | 111.8 | S23 F26 V27 W30 I178 F200 V201 N202 V206 L207 I208 | S23-L204 VanDerWaalsContact O-CD1 3.32Å; S23-L204 WeakPolarHBondContact O-CD1 3.49Å; F26-L204 HydrophobicContact CB-CB 4.15Å; F26-L204 HydrophobicContact CB-CD1 3.86Å; F26-L204 HydrophobicContact CB-CG 4.41Å; F26-L204 HydrophobicContact CD1-CB 4.18Å; V27-L204 HydrophobicContact CB-CD2 3.92Å; V27-L204 HydrophobicContact CG2-CD2 4.24Å; W30-L204 HydrophobicContact CE3-CD2 4.18Å; I178-L204 HydrophobicContact CD1-CD2 4.47Å; I178-L204 HydrophobicContact CD1-CG 4.42Å; F200-L204 PolarHBondContact O-N 3Å; F200-L204 VanDerWaalsContact O-N 3.12Å; V201-L204 WeakPolarHBondContact O-CB 3.18Å; V201-L204 PolarHBondContact O-N 3.13Å; N202-L204 VanDerWaalsContact C-N 3.33Å; N202-L204 PolarHBondContact O-N 3.05Å; L204-V206 VanDerWaalsContact C-N 3.34Å; L204-V206 PolarHBondContact O-N 3.07Å; L204-L207 PolarHBondContact O-N 3.23Å; L204-I208 HydrophobicContact CD1-CD1 3.99Å; L204-I208 HydrophobicContact CD1-CG1 4.18Å; L204-I208 HydrophobicContact CG-CD1 4.07Å; L204-I208 WeakPolarHBondContact O-CG1 3.44Å; L204-I208 PolarHBondContact O-N 2.89Å |
| 205 | G | 98.8 | Very high | 98.6 | Very high | 7 Ų | 7 | 34.8 Ų | 34.8 | 7% | 0.072 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.3 | -45.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V201 N202 V203 I208 V209 | V201-G205 PolarHBondContact O-N 2.95Å; N202-G205 PolarHBondContact O-N 2.87Å; N202-G205 VanDerWaalsContact O-N 3.16Å; V203-G205 VanDerWaalsContact C-N 3.33Å; V203-G205 PolarHBondContact O-N 3.44Å; G205-I208 PolarHBondContact O-N 3.22Å; G205-V209 WeakPolarHBondContact O-CG2 3.37Å; G205-V209 PolarHBondContact O-N 3.24Å; G205-V209 VanDerWaalsContact O-N 3.14Å |
| 206 | V | 98.9 | Very high | 98.6 | Very high | 92 Ų | 92 | 36.7 Ų | 36.7 | 56% | 0.558 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -63.1 | -43.2 | 175.7 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | N202 V203 L204 I208 V209 V210 | N202-V206 PolarHBondContact O-N 3.46Å; V203-V206 PolarHBondContact O-N 3.13Å; L204-V206 VanDerWaalsContact C-N 3.34Å; L204-V206 PolarHBondContact O-N 3.07Å; V206-I208 VanDerWaalsContact C-N 3.31Å; V206-I208 PolarHBondContact O-N 2.93Å; V206-V209 PolarHBondContact O-N 2.95Å; V206-V209 VanDerWaalsContact O-N 3.16Å; V206-V210 HydrophobicContact CG1-CG2 4.29Å; V206-V210 WeakPolarHBondContact O-CG2 3.27Å; V206-V210 PolarHBondContact O-N 3.28Å |
| 207 | L | 98.8 | Very high | 98.6 | Very high | 33 Ų | 33 | 36.2 Ų | 36.2 | 17% | 0.173 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61 | -39.5 | 177.3 | -69.3 | 168.3 | 0 | 0 | 0 | 111.9 | V19 V22 S23 F26 V203 L204 V210 F211 | V19-L207 HydrophobicContact CG1-CB 4.24Å; V19-L207 HydrophobicContact CG1-CD2 4.05Å; V19-L207 VanDerWaalsContact CG1-O 3.3Å; V19-L207 WeakPolarHBondContact CG1-O 3.23Å; V22-L207 HydrophobicContact CG1-CD1 3.88Å; S23-L207 WeakPolarHBondContact OG-CB 3.48Å; F26-L207 HydrophobicContact CD1-CD1 4.15Å; F26-L207 HydrophobicContact CD2-CD1 4.2Å; F26-L207 HydrophobicContact CE1-CD1 4.21Å; F26-L207 HydrophobicContact CE2-CD1 4.25Å; F26-L207 HydrophobicContact CG-CD1 4.14Å; F26-L207 HydrophobicContact CZ-CD1 4.25Å; V203-L207 HydrophobicContact CG1-CD1 4.07Å; V203-L207 HydrophobicContact CG1-CG 4.29Å; V203-L207 VanDerWaalsContact O-CG 3.28Å; V203-L207 WeakPolarHBondContact O-CG 3.36Å; V203-L207 PolarHBondContact O-N 3.49Å; L204-L207 PolarHBondContact O-N 3.23Å; L207-V210 PolarHBondContact O-N 3.29Å; L207-F211 WeakPolarHBondContact O-CB 3.42Å; L207-F211 PolarHBondContact O-N 3.16Å |
| 208 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.2 | -43.7 | 174.3 | -70.4 | 166.1 | 0 | 0 | 0 | 111 | V55 I59 I171 I178 L204 G205 V206 F211 G212 | V55-I208 HydrophobicContact CG2-CD1 3.94Å; I59-I208 HydrophobicContact CD1-CD1 4.13Å; I59-I208 HydrophobicContact CD1-CG1 4.32Å; I59-I208 HydrophobicContact CD1-CG2 3.76Å; I59-I208 HydrophobicContact CG2-CG2 4.33Å; I171-I208 HydrophobicContact CG1-CG2 4.29Å; I171-I208 HydrophobicContact CG2-CG2 3.92Å; I178-I208 HydrophobicContact CD1-CD1 3.89Å; L204-I208 HydrophobicContact CD1-CD1 3.99Å; L204-I208 HydrophobicContact CD1-CG1 4.18Å; L204-I208 HydrophobicContact CG-CD1 4.07Å; L204-I208 WeakPolarHBondContact O-CG1 3.44Å; L204-I208 PolarHBondContact O-N 2.89Å; G205-I208 PolarHBondContact O-N 3.22Å; V206-I208 VanDerWaalsContact C-N 3.31Å; V206-I208 PolarHBondContact O-N 2.93Å; I208-F211 PolarHBondContact O-N 3.36Å; I208-G212 PolarHBondContact O-N 3.33Å |
| 209 | V | 98.9 | Very high | 98.6 | Very high | 69 Ų | 69 | 35.8 Ų | 35.8 | 42% | 0.418 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64 | -46.5 | 176.7 | 175 | 0 | 0 | 0 | 0 | 111.3 | L175 G205 V206 F211 G212 A213 | L175-V209 HydrophobicContact CD1-CG2 3.65Å; L175-V209 HydrophobicContact CD2-CG2 4.12Å; L175-V209 HydrophobicContact CG-CG2 4.42Å; G205-V209 WeakPolarHBondContact O-CG2 3.37Å; G205-V209 PolarHBondContact O-N 3.24Å; G205-V209 VanDerWaalsContact O-N 3.14Å; V206-V209 PolarHBondContact O-N 2.95Å; V206-V209 VanDerWaalsContact O-N 3.16Å; V209-F211 PolarHBondContact O-N 2.87Å; V209-G212 PolarHBondContact O-N 3Å; V209-A213 WeakPolarHBondContact O-CB 3.26Å; V209-A213 PolarHBondContact O-N 3.5Å |
| 210 | V | 98.8 | Very high | 98.5 | Very high | 64 Ų | 64 | 36.2 Ų | 36.2 | 39% | 0.388 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61 | -45.8 | 178.5 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | V19 V206 L207 G212 A213 I214 | V19-V210 HydrophobicContact CG1-CB 4.42Å; V19-V210 HydrophobicContact CG1-CG1 4.27Å; V19-V210 HydrophobicContact CG2-CG1 4.35Å; V206-V210 HydrophobicContact CG1-CG2 4.29Å; V206-V210 WeakPolarHBondContact O-CG2 3.27Å; V206-V210 PolarHBondContact O-N 3.28Å; L207-V210 PolarHBondContact O-N 3.29Å; V210-G212 PolarHBondContact O-N 3.07Å; V210-A213 PolarHBondContact O-N 3Å; V210-I214 HydrophobicContact CG1-CD1 3.86Å; V210-I214 VanDerWaalsContact O-CG1 3.27Å; V210-I214 WeakPolarHBondContact O-CG1 3.12Å; V210-I214 PolarHBondContact O-N 3.29Å |
| 211 | F | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.6 | -51.7 | 174 | 171.8 | -102.1 | 0 | 0 | 0 | 111.4 | A16 V19 I59 F60 F167 L207 I208 V209 A213 I214 I215 | A16-F211 HydrophobicContact CB-CD2 4.44Å; A16-F211 HydrophobicContact CB-CE2 4.42Å; A16-F211 VanDerWaalsContact O-CD2 3.22Å; A16-F211 WeakPolarHBondContact O-CD2 3.39Å; A16-F211 WeakPolarHBondContact O-CE2 3.44Å; V19-F211 HydrophobicContact CG1-CB 3.95Å; I59-F211 HydrophobicContact CG2-CD1 3.59Å; I59-F211 HydrophobicContact CG2-CE1 3.7Å; I59-F211 WeakPolarHBondContact O-CE1 3.29Å; F60-F211 AromaticContact CD2-CE2 3.93Å; F60-F211 HydrophobicContact CD2-CE2 3.93Å; F60-F211 HydrophobicContact CD2-CZ 4.03Å; F60-F211 HydrophobicContact CE2-CE2 4.45Å; F167-F211 HydrophobicContact CE2-CE1 4.26Å; F167-F211 HydrophobicContact CZ-CD1 4.22Å; F167-F211 AromaticContact CZ-CE1 3.81Å; F167-F211 HydrophobicContact CZ-CE1 3.81Å; L207-F211 WeakPolarHBondContact O-CB 3.42Å; L207-F211 PolarHBondContact O-N 3.16Å; I208-F211 PolarHBondContact O-N 3.36Å; V209-F211 PolarHBondContact O-N 2.87Å; F211-A213 VanDerWaalsContact C-N 3.34Å; F211-A213 PolarHBondContact O-N 3.41Å; F211-I214 PolarHBondContact O-N 2.84Å; F211-I215 HydrophobicContact CD1-CG1 4.35Å; F211-I215 HydrophobicContact CD2-CG1 4.21Å; F211-I215 HydrophobicContact CE1-CG1 3.9Å; F211-I215 HydrophobicContact CE2-CD1 3.99Å; F211-I215 HydrophobicContact CE2-CG1 3.75Å; F211-I215 HydrophobicContact CG-CG1 4.5Å; F211-I215 HydrophobicContact CZ-CD1 4Å; F211-I215 HydrophobicContact CZ-CG1 3.58Å; F211-I215 WeakPolarHBondContact O-CG1 3.39Å; F211-I215 PolarHBondContact O-N 2.98Å |
| 212 | G | 98.8 | Very high | 98 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57 | -46 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I208 V209 V210 I214 I215 L216 | I208-G212 PolarHBondContact O-N 3.33Å; V209-G212 PolarHBondContact O-N 3Å; V210-G212 PolarHBondContact O-N 3.07Å; G212-I214 PolarHBondContact O-N 3.13Å; G212-I215 PolarHBondContact O-N 3.2Å; G212-L216 WeakPolarHBondContact O-CB 3.31Å; G212-L216 VanDerWaalsContact O-CG 3.29Å; G212-L216 WeakPolarHBondContact O-CG 3.48Å; G212-L216 PolarHBondContact O-N 3.05Å |
| 213 | A | 98.8 | Very high | 97.6 | Very high | 57 Ų | 57 | 43 Ų | 43 | 47% | 0.471 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.7 | -43.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V209 V210 F211 L216 W217 | V209-A213 WeakPolarHBondContact O-CB 3.26Å; V209-A213 PolarHBondContact O-N 3.5Å; V210-A213 PolarHBondContact O-N 3Å; F211-A213 VanDerWaalsContact C-N 3.34Å; F211-A213 PolarHBondContact O-N 3.41Å; A213-L216 PolarHBondContact O-N 2.99Å; A213-W217 VanDerWaalsContact O-CB 3.26Å; A213-W217 WeakPolarHBondContact O-CB 3.33Å; A213-W217 PolarHBondContact O-N 3.35Å |
| 214 | I | 98.6 | Very high | 97.3 | Very high | 28 Ų | 28 | 39.8 Ų | 39.8 | 14% | 0.144 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.8 | -43.4 | 177.9 | -59.9 | 163.4 | 0 | 0 | 0 | 110.7 | A12 A15 A16 V210 F211 G212 W217 I218 | A12-I214 HydrophobicContact CB-CG2 4.29Å; A12-I214 VanDerWaalsContact O-CG2 3.26Å; A12-I214 WeakPolarHBondContact O-CG2 3.38Å; A15-I214 HydrophobicContact CB-CD1 4.14Å; A16-I214 HydrophobicContact CB-CB 4.28Å; A16-I214 HydrophobicContact CB-CG2 3.74Å; V210-I214 HydrophobicContact CG1-CD1 3.86Å; V210-I214 VanDerWaalsContact O-CG1 3.27Å; V210-I214 WeakPolarHBondContact O-CG1 3.12Å; V210-I214 PolarHBondContact O-N 3.29Å; F211-I214 PolarHBondContact O-N 2.84Å; G212-I214 PolarHBondContact O-N 3.13Å; I214-W217 WeakPolarHBondContact O-CB 3.37Å; I214-W217 PolarHBondContact O-N 3Å; I214-I218 HydrophobicContact CG2-CD1 3.98Å; I214-I218 HydrophobicContact CG2-CG1 4.47Å; I214-I218 WeakPolarHBondContact O-CG1 3.36Å; I214-I218 PolarHBondContact O-N 3.45Å |
| 215 | I | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60 | -48.6 | 176.4 | -70.3 | -60.2 | 0 | 0 | 0 | 111 | A16 I66 V67 F167 F211 G212 W217 I218 A219 | A16-I215 HydrophobicContact CB-CD1 3.99Å; I66-I215 HydrophobicContact CB-CG2 4.44Å; I66-I215 HydrophobicContact CG2-CG2 4.29Å; V67-I215 HydrophobicContact CG1-CD1 4.21Å; V67-I215 HydrophobicContact CG1-CG2 4.1Å; V67-I215 HydrophobicContact CG2-CD1 4.13Å; F167-I215 HydrophobicContact CD1-CG2 4.24Å; F167-I215 HydrophobicContact CE1-CB 3.87Å; F167-I215 HydrophobicContact CE1-CG2 3.55Å; F167-I215 HydrophobicContact CZ-CB 4.15Å; F167-I215 HydrophobicContact CZ-CG1 4.4Å; F167-I215 HydrophobicContact CZ-CG2 3.94Å; F211-I215 HydrophobicContact CD1-CG1 4.35Å; F211-I215 HydrophobicContact CD2-CG1 4.21Å; F211-I215 HydrophobicContact CE1-CG1 3.9Å; F211-I215 HydrophobicContact CE2-CD1 3.99Å; F211-I215 HydrophobicContact CE2-CG1 3.75Å; F211-I215 HydrophobicContact CG-CG1 4.5Å; F211-I215 HydrophobicContact CZ-CD1 4Å; F211-I215 HydrophobicContact CZ-CG1 3.58Å; F211-I215 WeakPolarHBondContact O-CG1 3.39Å; F211-I215 PolarHBondContact O-N 2.98Å; G212-I215 PolarHBondContact O-N 3.2Å; I215-W217 VanDerWaalsContact C-N 3.3Å; I215-W217 PolarHBondContact O-N 2.84Å; I215-I218 PolarHBondContact O-N 2.84Å; I215-A219 WeakPolarHBondContact O-CB 3.21Å; I215-A219 PolarHBondContact O-N 2.96Å |
| 216 | L | 98.6 | Very high | 96.6 | Very high | 50 Ų | 50 | 48 Ų | 48 | 26% | 0.262 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.3 | -39 | 177.7 | -70.9 | 175.7 | 0 | 0 | 0 | 111.5 | L164 F167 G212 A213 A219 T220 | L164-L216 HydrophobicContact CB-CD2 4.21Å; L164-L216 HydrophobicContact CD2-CD2 3.88Å; F167-L216 HydrophobicContact CD1-CD2 4.07Å; F167-L216 HydrophobicContact CD1-CG 4.3Å; F167-L216 HydrophobicContact CE1-CG 4.43Å; G212-L216 WeakPolarHBondContact O-CB 3.31Å; G212-L216 VanDerWaalsContact O-CG 3.29Å; G212-L216 WeakPolarHBondContact O-CG 3.48Å; G212-L216 PolarHBondContact O-N 3.05Å; A213-L216 PolarHBondContact O-N 2.99Å; L216-A219 PolarHBondContact O-N 3.27Å; L216-T220 WeakPolarHBondContact O-CB 3.46Å; L216-T220 VanDerWaalsContact O-CG2 3.3Å; L216-T220 WeakPolarHBondContact O-CG2 3.46Å; L216-T220 PolarHBondContact O-N 2.97Å; L216-T220 PolarHBondContact O-OG1 3.28Å |
| 217 | W | 97.9 | Very high | 96.1 | Very high | 90 Ų | 90 | 44.6 Ų | 44.6 | 34% | 0.341 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.7 | -48.4 | 175 | -176.3 | 45.3 | 0 | 0 | 0 | 111.7 | Q8 A12 A213 I214 I215 A219 T220 R221 | Q8-W217 HydrophobicContact CG-CH2 4.24Å; A12-W217 HydrophobicContact CB-CE3 4.11Å; A12-W217 HydrophobicContact CB-CZ3 3.8Å; A213-W217 VanDerWaalsContact O-CB 3.26Å; A213-W217 WeakPolarHBondContact O-CB 3.33Å; A213-W217 PolarHBondContact O-N 3.35Å; I214-W217 WeakPolarHBondContact O-CB 3.37Å; I214-W217 PolarHBondContact O-N 3Å; I215-W217 VanDerWaalsContact C-N 3.3Å; I215-W217 PolarHBondContact O-N 2.84Å; W217-A219 VanDerWaalsContact C-N 3.3Å; W217-A219 PolarHBondContact O-N 3.31Å; W217-T220 PolarHBondContact O-N 2.95Å; W217-T220 PolarHBondContact O-OG1 3.45Å; W217-R221 VanDerWaalsContact NE1-CZ 3.3Å; W217-R221 VanDerWaalsContact O-CG 3.25Å; W217-R221 WeakPolarHBondContact O-CG 3.27Å; W217-R221 PolarHBondContact O-N 3.13Å |
| 218 | I | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 174.4 | -65.2 | 164.8 | 0 | 0 | 0 | 110.5 | F9 A12 A16 V67 R70 I214 I215 T220 R221 W224 | F9-I218 HydrophobicContact CD2-CG2 4.41Å; F9-I218 HydrophobicContact CE2-CG2 3.87Å; A12-I218 HydrophobicContact CB-CD1 4.04Å; A12-I218 HydrophobicContact CB-CG1 3.97Å; A16-I218 HydrophobicContact CB-CD1 4.48Å; V67-I218 HydrophobicContact CB-CG2 3.9Å; V67-I218 HydrophobicContact CG1-CB 3.92Å; V67-I218 HydrophobicContact CG1-CG2 3.62Å; R70-I218 HydrophobicContact CB-CG2 4.44Å; R70-I218 WeakPolarHBondContact CD-O 3.31Å; R70-I218 PolarHBondContact NE-O 2.9Å; R70-I218 PolarHBondContact NH1-O 3.14Å; I214-I218 HydrophobicContact CG2-CD1 3.98Å; I214-I218 HydrophobicContact CG2-CG1 4.47Å; I214-I218 WeakPolarHBondContact O-CG1 3.36Å; I214-I218 PolarHBondContact O-N 3.45Å; I215-I218 PolarHBondContact O-N 2.84Å; I218-T220 PolarHBondContact O-N 3.32Å; I218-R221 PolarHBondContact O-N 3.25Å; I218-W224 HydrophobicContact CB-CE3 4.27Å; I218-W224 HydrophobicContact CB-CZ3 4.18Å; I218-W224 HydrophobicContact CG1-CE3 4.32Å; I218-W224 HydrophobicContact CG1-CZ3 3.82Å; I218-W224 HydrophobicContact CG2-CE3 4.1Å; I218-W224 HydrophobicContact CG2-CZ3 4.44Å |
| 219 | A | 97.4 | Very high | 94.2 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 8% | 0.083 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.4 | -20.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | I66 V67 R70 L164 I215 L216 W217 | I66-A219 HydrophobicContact CG2-CB 3.75Å; V67-A219 HydrophobicContact CG1-CB 4.33Å; R70-A219 PolarHBondContact NE-O 3.27Å; R70-A219 PolarHBondContact NH2-O 3.38Å; L164-A219 HydrophobicContact CD2-CB 3.74Å; I215-A219 WeakPolarHBondContact O-CB 3.21Å; I215-A219 PolarHBondContact O-N 2.96Å; L216-A219 PolarHBondContact O-N 3.27Å; W217-A219 VanDerWaalsContact C-N 3.3Å; W217-A219 PolarHBondContact O-N 3.31Å |
| 220 | T | 96.5 | Very high | 92.5 | Very high | 84 Ų | 84 | 54 Ų | 54 | 52% | 0.515 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -105.7 | -9.8 | -176.8 | 52.5 | 0 | 0 | 0 | 0 | 113.7 | L164 L216 W217 I218 P222 | L164-T220 HydrophobicContact CD1-CG2 4.26Å; L216-T220 WeakPolarHBondContact O-CB 3.46Å; L216-T220 VanDerWaalsContact O-CG2 3.3Å; L216-T220 WeakPolarHBondContact O-CG2 3.46Å; L216-T220 PolarHBondContact O-N 2.97Å; L216-T220 PolarHBondContact O-OG1 3.28Å; W217-T220 PolarHBondContact O-N 2.95Å; W217-T220 PolarHBondContact O-OG1 3.45Å; I218-T220 PolarHBondContact O-N 3.32Å; T220-P222 VanDerWaalsContact O-CD 3.22Å; T220-P222 WeakPolarHBondContact O-CD 3.16Å |
| 221 | R | 94.5 | Very high | 91.2 | Very high | 94 Ų | 94 | 53.7 Ų | 53.7 | 36% | 0.355 | 29% | 0.286 | S | S | . | . | trans | -69.3 | 116.7 | 177.3 | -76.2 | -74.1 | -173.1 | -170.2 | 3.9 | 112.3 | R70 W217 I218 S223 W224 | R70-R221 PolarHBondContact NH1-O 3.05Å; W217-R221 VanDerWaalsContact NE1-CZ 3.3Å; W217-R221 VanDerWaalsContact O-CG 3.25Å; W217-R221 WeakPolarHBondContact O-CG 3.27Å; W217-R221 PolarHBondContact O-N 3.13Å; I218-R221 PolarHBondContact O-N 3.25Å; R221-S223 PolarHBondContact O-N 2.89Å; R221-W224 HydrophobicContact CB-CB 4.26Å; R221-W224 HydrophobicContact CB-CD2 3.68Å; R221-W224 HydrophobicContact CB-CE3 3.5Å; R221-W224 VanDerWaalsContact CB-CE3 3.5Å; R221-W224 HydrophobicContact CB-CG 4.04Å; R221-W224 HydrophobicContact CB-CZ3 4.13Å; R221-W224 HydrophobicContact CG-CD2 4.06Å; R221-W224 HydrophobicContact CG-CE3 3.63Å; R221-W224 HydrophobicContact CG-CH2 4.17Å; R221-W224 HydrophobicContact CG-CZ3 3.7Å; R221-W224 PolarHBondContact O-N 3.42Å | ||
| 222 | P | 91.8 | Very high | 89.7 | Confident | 109 Ų | 109 | 56.1 Ų | 56.1 | 71% | 0.708 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -64.9 | -38.6 | -179.3 | -23.6 | 35.6 | 0 | 0 | 0 | 113.2 | T220 W224 K225 | T220-P222 VanDerWaalsContact O-CD 3.22Å; T220-P222 WeakPolarHBondContact O-CD 3.16Å; P222-W224 PolarHBondContact O-N 3.35Å; P222-W224 VanDerWaalsContact O-N 3.17Å; P222-K225 VanDerWaalsContact O-CB 3.24Å; P222-K225 WeakPolarHBondContact O-CB 3.36Å; P222-K225 PolarHBondContact O-N 3.39Å |
| 223 | S | 90.5 | Very high | 88 | Confident | 44 Ų | 44 | 65.3 Ų | 65.3 | 31% | 0.308 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -64.2 | -18.2 | -179.7 | 53.9 | 0 | 0 | 0 | 0 | 114.3 | R221 | R221-S223 PolarHBondContact O-N 2.89Š|
| 224 | W | 93.1 | Very high | 86.1 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 0% | 0.004 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -100.6 | 4.8 | 177.6 | -56.3 | -20.1 | 0 | 0 | 0 | 113.1 | M3 E4 Q8 F9 A12 R70 I218 R221 P222 | M3-W224 HydrophobicContact CE-CB 3.98Å; M3-W224 HydrophobicContact CE-CG 4.12Å; M3-W224 HydrophobicContact SD-CG 4.27Å; E4-W224 PolarHBondContact O-NE1 3.48Å; Q8-W224 HydrophobicContact CB-CZ2 4.33Å; Q8-W224 HydrophobicContact CG-CH2 4.44Å; Q8-W224 HydrophobicContact CG-CZ2 4.19Å; F9-W224 HydrophobicContact CB-CD2 4.16Å; F9-W224 HydrophobicContact CB-CH2 4.45Å; F9-W224 HydrophobicContact CB-CZ2 3.94Å; F9-W224 HydrophobicContact CD2-CB 4.25Å; F9-W224 AromaticContact CD2-CD2 3.64Å; F9-W224 HydrophobicContact CD2-CD2 3.64Å; F9-W224 AromaticContact CD2-CE3 3.7Å; F9-W224 HydrophobicContact CD2-CE3 3.7Å; F9-W224 AromaticContact CD2-CG 3.89Å; F9-W224 HydrophobicContact CD2-CG 3.89Å; F9-W224 HydrophobicContact CD2-CZ3 4.25Å; F9-W224 HydrophobicContact CE2-CE3 4.45Å; F9-W224 HydrophobicContact CG-CD2 4.38Å; A12-W224 HydrophobicContact CB-CH2 4.34Å; R70-W224 WeakPolarHBondContact CB-O 3.3Å; R70-W224 WeakPolarHBondContact CG-O 3.27Å; R70-W224 PolarHBondContact NH1-O 3.43Å; I218-W224 HydrophobicContact CB-CE3 4.27Å; I218-W224 HydrophobicContact CB-CZ3 4.18Å; I218-W224 HydrophobicContact CG1-CE3 4.32Å; I218-W224 HydrophobicContact CG1-CZ3 3.82Å; I218-W224 HydrophobicContact CG2-CE3 4.1Å; I218-W224 HydrophobicContact CG2-CZ3 4.44Å; R221-W224 HydrophobicContact CB-CB 4.26Å; R221-W224 HydrophobicContact CB-CD2 3.68Å; R221-W224 HydrophobicContact CB-CE3 3.5Å; R221-W224 VanDerWaalsContact CB-CE3 3.5Å; R221-W224 HydrophobicContact CB-CG 4.04Å; R221-W224 HydrophobicContact CB-CZ3 4.13Å; R221-W224 HydrophobicContact CG-CD2 4.06Å; R221-W224 HydrophobicContact CG-CE3 3.63Å; R221-W224 HydrophobicContact CG-CH2 4.17Å; R221-W224 HydrophobicContact CG-CZ3 3.7Å; R221-W224 PolarHBondContact O-N 3.42Å; P222-W224 PolarHBondContact O-N 3.35Å; P222-W224 VanDerWaalsContact O-N 3.17Å |
| 225 | K | 92.7 | Very high | 84 | Confident | 146 Ų | 146 | 70.3 Ų | 70.3 | 64% | 0.635 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -70.3 | 139.2 | 178.1 | -172.1 | 176.1 | -179.1 | 177.4 | 0 | 109.1 | R70 P222 P227 | R70-K225 VanDerWaalsContact NH1-N 3.18Å; P222-K225 VanDerWaalsContact O-CB 3.24Å; P222-K225 WeakPolarHBondContact O-CB 3.36Å; P222-K225 PolarHBondContact O-N 3.39Å; K225-P227 WeakPolarHBondContact O-CD 3.19Å |
| 226 | R | 90.7 | Very high | 81.5 | Confident | 35 Ų | 35 | 74.9 Ų | 74.9 | 13% | 0.132 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 127 | 174.2 | -171.7 | 174.7 | 171.8 | 158.9 | 6.8 | 110.4 | Y69 W75 C77 | Y69-R226 WeakPolarHBondContact O-CB 3.29Å; W75-R226 HydrophobicContact CG-CG 4.47Å; C77-R226 PolarHBondContact O-NH2 3.1Å |
| 227 | P | 87.8 | Confident | 78.9 | Confident | 20 Ų | 20 | 79.5 Ų | 79.5 | 13% | 0.13 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 149.8 | 175.7 | -25.3 | 34.5 | 0 | 0 | 0 | 112.6 | M1 W75 K225 L232 | M1-P227 HydrophobicContact SD-CG 3.95Å; W75-P227 VanDerWaalsContact CD2-CD 3.45Å; W75-P227 HydrophobicContact CD2-CG 4.09Å; W75-P227 HydrophobicContact CE3-CG 3.83Å; W75-P227 HydrophobicContact CZ3-CG 4.12Å; K225-P227 WeakPolarHBondContact O-CD 3.19Å; P227-L232 HydrophobicContact CB-CD2 4.21Å; P227-L232 HydrophobicContact CB-CG 4.12Å |
| 228 | S | 82.6 | Confident | 76.1 | Confident | 60 Ų | 60 | 85.1 Ų | 85.1 | 42% | 0.42 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 153.1 | 175.6 | 71.4 | 0 | 0 | 0 | 0 | 111.1 | Q230 V231 L232 | S228-Q230 PolarHBondContact O-N 2.9Å; S228-V231 PolarHBondContact O-N 3.35Å; S228-V231 VanDerWaalsContact OG-CG2 3.31Å; S228-V231 WeakPolarHBondContact OG-CG2 3.26Å; S228-V231 PolarHBondContact OG-N 3.37Å; S228-L232 WeakPolarHBondContact O-CG 3.36Å; S228-L232 PolarHBondContact O-N 3.39Å |
| 229 | E | 74.2 | Confident | 73.3 | Confident | 76 Ų | 76 | 96.6 Ų | 96.6 | 36% | 0.355 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.3 | -31.7 | 178.9 | -74 | -171.2 | -160.1 | 0 | 0 | 112.7 | K79 L232 R233 | K79-E229 WeakPolarHBondContact CB-OE1 3.03Å; K79-E229 HydrophobicContact CD-CG 4.38Å; K79-E229 WeakPolarHBondContact CD-OE1 3.5Å; E229-L232 PolarHBondContact O-N 2.93Å; E229-R233 WeakPolarHBondContact O-CB 3.31Å; E229-R233 VanDerWaalsContact O-CG 3.27Å; E229-R233 WeakPolarHBondContact O-CG 3.42Å; E229-R233 PolarHBondContact O-N 3.12Å; E229-R233 IonicContact OE2-NH2 3.65Å |
| 230 | Q | 64.4 | Low | 70.6 | Confident | 162 Ų | 162 | 104.2 Ų | 104.2 | 76% | 0.757 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63 | -44.9 | 176.3 | -70.7 | 170.5 | -24.6 | 0 | 0 | 111.3 | S228 L232 R233 S234 | S228-Q230 PolarHBondContact O-N 2.9Å; Q230-L232 VanDerWaalsContact C-N 3.31Å; Q230-L232 PolarHBondContact O-N 3.41Å; Q230-R233 PolarHBondContact O-N 2.88Å; Q230-S234 WeakPolarHBondContact O-CB 3.42Å; Q230-S234 PolarHBondContact O-N 2.86Å; Q230-S234 PolarHBondContact O-OG 3.29Å |
| 231 | V | 70.4 | Confident | 68.2 | Low | 59 Ų | 59 | 104 Ų | 104 | 36% | 0.358 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67 | -32.7 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 111.9 | M1 S228 S234 | M1-V231 HydrophobicContact CE-CG1 3.85Å; S228-V231 PolarHBondContact O-N 3.35Å; S228-V231 VanDerWaalsContact OG-CG2 3.31Å; S228-V231 WeakPolarHBondContact OG-CG2 3.26Å; S228-V231 PolarHBondContact OG-N 3.37Å; V231-S234 PolarHBondContact O-OG 2.83Å |
| 232 | L | 67.7 | Low | 65.4 | Low | 51 Ų | 51 | 105.5 Ų | 105.5 | 27% | 0.267 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -72.3 | -32.6 | 175.3 | -70.2 | 168.8 | 0 | 0 | 0 | 112.5 | P227 S228 E229 Q230 | P227-L232 HydrophobicContact CB-CD2 4.21Å; P227-L232 HydrophobicContact CB-CG 4.12Å; S228-L232 WeakPolarHBondContact O-CG 3.36Å; S228-L232 PolarHBondContact O-N 3.39Å; E229-L232 PolarHBondContact O-N 2.93Å; Q230-L232 VanDerWaalsContact C-N 3.31Å; Q230-L232 PolarHBondContact O-N 3.41Å |
| 233 | R | 62.8 | Low | 62.8 | Low | 196 Ų | 196 | 105.5 Ų | 105.5 | 74% | 0.74 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -83.5 | -26.8 | 179.8 | -71.9 | 176.1 | -169.4 | -99 | 4.1 | 113.7 | E229 Q230 L235 | E229-R233 WeakPolarHBondContact O-CB 3.31Å; E229-R233 VanDerWaalsContact O-CG 3.27Å; E229-R233 WeakPolarHBondContact O-CG 3.42Å; E229-R233 PolarHBondContact O-N 3.12Å; E229-R233 IonicContact OE2-NH2 3.65Å; Q230-R233 PolarHBondContact O-N 2.88Å; R233-L235 PolarHBondContact O-N 2.78Å |
| 234 | S | 59.3 | Low | 60.1 | Low | 88 Ų | 88 | 107 Ų | 107 | 62% | 0.615 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -79.4 | 2 | 179.7 | 65.7 | 0 | 0 | 0 | 0 | 114.3 | Q230 V231 | Q230-S234 WeakPolarHBondContact O-CB 3.42Å; Q230-S234 PolarHBondContact O-N 2.86Å; Q230-S234 PolarHBondContact O-OG 3.29Å; V231-S234 PolarHBondContact O-OG 2.83Å |
| 235 | L | 53.9 | Low | 57.3 | Low | 101 Ų | 101 | 113.3 Ų | 113.3 | 53% | 0.529 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -80.4 | 121.5 | 174 | -75.9 | 168.2 | 0 | 0 | 0 | 109.3 | R233 | R233-L235 PolarHBondContact O-N 2.78Š|
| 236 | P | 48.2 | Very low | 54.6 | Low | 96 Ų | 96 | 116.3 Ų | 116.3 | 62% | 0.623 | 65% | 0.646 | S | S | * | * | trans | -70.8 | 140.2 | -176.8 | 28.6 | -33.1 | 0 | 0 | 0 | 110.7 | Y238 | P236-Y238 PolarHBondContact O-N 2.71Š| ||
| 237 | T | 43.1 | Very low | 51.8 | Low | 147 Ų | 147 | 123.9 Ų | 123.9 | 90% | 0.902 | 69% | 0.685 | S | S | * | * | trans | -53.5 | 64.5 | 145.9 | 17.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 238 | Y | 39 | Very low | 49.1 | Very low | 208 Ų | 208 | 126 Ų | 126 | 82% | 0.816 | 71% | 0.71 | S | S | * | * | trans | -106.6 | 62.5 | 177.3 | -159.1 | -92.2 | 0 | 0 | 0 | 109 | P236 | P236-Y238 PolarHBondContact O-N 2.71Š| ||
| 239 | R | 38.3 | Very low | 46.5 | Very low | 242 Ų | 242 | 130.1 Ų | 130.1 | 91% | 0.913 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -161.6 | 24.4 | 163.8 | -123.5 | -176.1 | -161.3 | -179.3 | 4.9 | 115.2 | ||
| 240 | D | 41.8 | Very low | 44.6 | Very low | 169 Ų | 169 | 130.7 Ų | 130.7 | 90% | 0.904 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -138 | 114.2 | 163.1 | -108.4 | -21.9 | 0 | 0 | 0 | 108.5 | ||
| 241 | G | 46.2 | Very low | 43 | Very low | 79 Ų | 79 | 131.2 Ų | 131.2 | 81% | 0.814 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 120.4 | 64.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 242 | S | 35.1 | Very low | 41 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 88% | 0.881 | 77% | 0.774 | S | S | * | * | trans | -178 | 83.9 | 138.6 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 243 | A | 37.5 | Very low | 39.2 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -142 | 98.4 | 154.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 244 | G | 33.6 | Very low | 37.5 | Very low | 74 Ų | 74 | 136.8 Ų | 136.8 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 175.8 | 52.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K246 | G244-K246 PolarHBondContact O-N 3.01Š| ||
| 245 | T | 34.8 | Very low | 36.1 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 83% | 0.828 | 81% | 0.809 | S | S | * | * | trans | -52.1 | 119.8 | 165.5 | -56.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 246 | K | 34.3 | Very low | 34.9 | Very low | 209 Ų | 209 | 141 Ų | 141 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -141.6 | 118.6 | 146.9 | -74.6 | -162.7 | 177.9 | -179.8 | 0 | 110.6 | G244 | G244-K246 PolarHBondContact O-N 3.01Š| ||
| 247 | M | 32.9 | Very low | 34.5 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 95% | 0.951 | 82% | 0.824 | S | S | * | * | trans | -53.5 | 148.5 | 165 | -105.6 | 133.2 | 176.5 | 0 | 0 | 112.2 | ||||
| 248 | G | 30.4 | Very low | 34 | Very low | 64 Ų | 64 | 142.1 Ų | 142.1 | 66% | 0.66 | 82% | 0.819 | S | S | * | * | trans | 168.2 | 84.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 249 | T | 28.8 | Very low | 33.7 | Very low | 148 Ų | 148 | 140 Ų | 140 | 91% | 0.908 | 82% | 0.822 | S | S | * | * | trans | 75.7 | 125.4 | 136 | -29.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 250 | A | 34.5 | Very low | 33.9 | Very low | 88 Ų | 88 | 133.4 Ų | 133.4 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -66 | 150.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 251 | L | 29.6 | Very low | 33.4 | Very low | 172 Ų | 172 | 135 Ų | 135 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | trans | -165.1 | 117.1 | 130.8 | -141.9 | 74.9 | 0 | 0 | 0 | 112.7 | ||||
| 252 | S | 29.7 | Very low | 32.6 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | trans | 29.4 | 131.1 | 138.6 | -159.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 253 | Q | 29.6 | Very low | 32.3 | Very low | 171 Ų | 171 | 136.5 Ų | 136.5 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | 140.1 | 140.3 | 129.4 | -80.6 | 179.9 | -4.7 | 0 | 0 | 109.9 | |||||
| 254 | Q | 27.3 | Very low | 32.1 | Very low | 153 Ų | 153 | 134.8 Ų | 134.8 | 72% | 0.715 | 80% | 0.803 | S | S | * | * | cis | -170.7 | 127.7 | -11 | 170.1 | 170.7 | -9.4 | 0 | 0 | 103 | ||||
| 255 | T | 28.8 | Very low | 32.1 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | -98.6 | 118.9 | 174.7 | 36.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 256 | D | 29.4 | Very low | 32.2 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | trans | -85 | 146.6 | 160.7 | -69.5 | -32.3 | 0 | 0 | 0 | 109.6 | ||||
| 257 | P | 39.8 | Very low | 32.3 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | -144.1 | 154.9 | 122.7 | 35.4 | -20.5 | 0 | 0 | 0 | 113.7 | |||||
| 258 | I | 31.6 | Very low | 32.4 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | trans | 149.8 | 113.6 | 132.6 | -73.1 | 154.3 | 0 | 0 | 0 | 109.4 | ||||
| 259 | D | 33.4 | Very low | 32.7 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | -98 | 141.8 | 159.2 | -90.2 | -30.4 | 0 | 0 | 0 | 109.4 | ||||
| 260 | P | 41.8 | Very low | 32.9 | Very low | 105 Ų | 105 | 144.8 Ų | 144.8 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | trans | -102.3 | 142.2 | 166 | 34.7 | -24.8 | 0 | 0 | 0 | 113 | ||||
| 261 | E | 31.6 | Very low | 32.8 | Very low | 203 Ų | 203 | 144.3 Ų | 144.3 | 95% | 0.949 | 81% | 0.805 | S | S | * | * | trans | 37.4 | 134 | 145.9 | -63.9 | -173 | 148.4 | 0 | 0 | 122.1 | ||||
| 262 | G | 29.6 | Very low | 33 | Very low | 75 Ų | 75 | 144.7 Ų | 144.7 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | 166.5 | 74.3 | 153.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 263 | N | 29.4 | Very low | 33.3 | Very low | 161 Ų | 161 | 146.6 Ų | 146.6 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | 53.5 | 129.9 | 137.8 | -150.7 | 25.2 | 0 | 0 | 0 | 121.9 | ||||
| 264 | G | 32.4 | Very low | 33.7 | Very low | 74 Ų | 74 | 146.1 Ų | 146.1 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | 177.3 | 81.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 265 | D | 34.8 | Very low | 34.2 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -51.8 | 138.3 | 168 | -96.3 | -39.9 | 0 | 0 | 0 | 113.7 | ||||
| 266 | A | 36.6 | Very low | 34.6 | Very low | 91 Ų | 91 | 144 Ų | 144 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | 175.4 | 107.5 | 129.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 267 | R | 36.1 | Very low | 34.9 | Very low | 205 Ų | 205 | 141 Ų | 141 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | 74.4 | 115.5 | 115.3 | -154.8 | 172 | -166.9 | 176.7 | 4.4 | 121.6 | |||||
| 268 | R | 36.2 | Very low | 34.8 | Very low | 206 Ų | 206 | 144.7 Ų | 144.7 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | 75.7 | 112.9 | 144.2 | -78.7 | 177 | 171.6 | -168.5 | -5.2 | 118.7 | ||||
| 269 | R | 36.8 | Very low | 35.2 | Very low | 243 Ų | 243 | 142.8 Ų | 142.8 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | 74.9 | 115.7 | 73.9 | -115 | -170.9 | -170.8 | -172.5 | 3.5 | 115.8 | |||||
| 270 | S | 32.8 | Very low | 35.7 | Very low | 128 Ų | 128 | 146 Ų | 146 | 90% | 0.895 | 82% | 0.818 | S | S | * | * | trans | 93.2 | 129.9 | 138.8 | -159.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 271 | G | 32.7 | Very low | 35.4 | Very low | 79 Ų | 79 | 148.1 Ų | 148.1 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | trans | 165.7 | 87.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 272 | K | 33.8 | Very low | 35.5 | Very low | 180 Ų | 180 | 145.2 Ų | 145.2 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | trans | -91.1 | 167.8 | 178.1 | -163.7 | -173.4 | -178 | -168.5 | 0 | 110.7 | ||||
| 273 | L | 34.9 | Very low | 35.9 | Very low | 139 Ų | 139 | 149.1 Ų | 149.1 | 73% | 0.728 | 82% | 0.82 | S | S | * | * | trans | 104.6 | 117.1 | 160 | -70.1 | 122.3 | 0 | 0 | 0 | 115.5 | ||||
| 274 | E | 37.9 | Very low | 36.3 | Very low | 161 Ų | 161 | 148.4 Ų | 148.4 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | 57 | 135.1 | 64.2 | -76.8 | 178.5 | 155.9 | 0 | 0 | 110.4 | |||||
| 275 | D | 37.4 | Very low | 36.5 | Very low | 143 Ų | 143 | 153 Ų | 153 | 77% | 0.765 | 82% | 0.821 | S | S | * | * | cis | -168.4 | 167 | 19.2 | -178.3 | 26.7 | 0 | 0 | 0 | 108.4 | ||||
| 276 | S | 38.6 | Very low | 36.6 | Very low | 101 Ų | 101 | 152.6 Ų | 152.6 | 71% | 0.706 | 82% | 0.819 | S | S | * | * | trans | -5.3 | 155.7 | 160 | 68.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 277 | G | 34.1 | Very low | 36.6 | Very low | 79 Ų | 79 | 157 Ų | 157 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | trans | -173.4 | 93.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 278 | Q | 38.4 | Very low | 36.7 | Very low | 187 Ų | 187 | 153.3 Ų | 153.3 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -68 | 172.3 | 163.9 | -86.3 | -177.3 | -33.3 | 0 | 0 | 112 | ||||
| 279 | V | 39.2 | Very low | 36.7 | Very low | 117 Ų | 117 | 148.9 Ų | 148.9 | 71% | 0.709 | 83% | 0.832 | S | S | * | * | trans | 104.1 | 91.8 | 151.1 | -166.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 280 | N | 43.8 | Very low | 36.7 | Very low | 230 Ų | 230 | 140.4 Ų | 140.4 | 100% | 1.23 | 83% | 0.825 | S | S | * | * | -172.6 | 0 | 103.5 | -94 | -34.2 | 0 | 0 | 0 | 110.4 |
Retrieved 280 of 280 residues in 51.4 ms
(Link to these results)