| 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 | L | 87.9 | Confident | 92.2 | Very high | 113 Ų | 113 | 48.7 Ų | 48.7 | 59% | 0.592 | 28% | 0.277 | S | S | * | . | 0 | -57.8 | 0 | -65.8 | 177.4 | 0 | 0 | 0 | 113 | A3 M4 A5 | L1-A3 VanDerWaalsContact C-N 3.32Å; L1-A3 PolarHBondContact O-N 3.15Å; L1-M4 HydrophobicContact CD2-CE 3.81Å; L1-M4 WeakPolarHBondContact O-CB 3.49Å; L1-M4 PolarHBondContact O-N 3.31Å; L1-M4 VanDerWaalsContact O-N 3.08Å; L1-A5 PolarHBondContact O-N 3.28Å; L1-A5 VanDerWaalsContact O-N 3.08Å | |||
| 2 | I | 92 | Very high | 92.3 | Very high | 124 Ų | 124 | 52.3 Ų | 52.3 | 64% | 0.636 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -56.2 | -44.7 | 179.5 | -62.5 | 169.9 | 0 | 0 | 0 | 112.1 | M4 A5 F6 | I2-M4 VanDerWaalsContact C-N 3.29Å; I2-M4 PolarHBondContact O-N 3.43Å; I2-A5 WeakPolarHBondContact O-CB 3.31Å; I2-A5 PolarHBondContact O-N 2.98Å; I2-A5 VanDerWaalsContact O-N 3.11Å; I2-F6 HydrophobicContact CG2-CD2 3.7Å; I2-F6 HydrophobicContact CG2-CE2 3.66Å; I2-F6 WeakPolarHBondContact O-CD2 3.47Å; I2-F6 PolarHBondContact O-N 2.89Å |
| 3 | A | 91.6 | Very high | 92.3 | Very high | 64 Ų | 64 | 51 Ų | 51 | 53% | 0.529 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.5 | -41.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1 F6 L7 I219 | L1-A3 VanDerWaalsContact C-N 3.32Å; L1-A3 PolarHBondContact O-N 3.15Å; A3-F6 PolarHBondContact O-N 2.91Å; A3-L7 WeakPolarHBondContact O-CB 3.06Å; A3-L7 PolarHBondContact O-N 3.15Å; A3-I219 HydrophobicContact CB-CD1 4.32Å |
| 4 | M | 92.3 | Very high | 92.4 | Very high | 13 Ų | 13 | 50.5 Ų | 50.5 | 6% | 0.064 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65 | -41.9 | 176 | 160.6 | -81.6 | -65.3 | 0 | 0 | 111.7 | L1 I2 F6 L7 M8 M212 Y215 T216 I219 | L1-M4 HydrophobicContact CD2-CE 3.81Å; L1-M4 WeakPolarHBondContact O-CB 3.49Å; L1-M4 PolarHBondContact O-N 3.31Å; L1-M4 VanDerWaalsContact O-N 3.08Å; I2-M4 VanDerWaalsContact C-N 3.29Å; I2-M4 PolarHBondContact O-N 3.43Å; M4-F6 VanDerWaalsContact C-N 3.29Å; M4-F6 PolarHBondContact O-N 2.73Å; M4-L7 PolarHBondContact O-N 3.3Å; M4-L7 VanDerWaalsContact O-N 3.13Å; M4-M8 PolarHBondContact O-N 3.06Å; M4-M8 VanDerWaalsContact O-N 3.13Å; M4-M212 HydrophobicContact CE-CB 3.62Å; M4-M212 HydrophobicContact CE-CG 3.25Å; M4-M212 HydrophobicContact CE-SD 3.61Å; M4-M212 HydrophobicContact SD-CB 4.25Å; M4-M212 HydrophobicContact SD-CG 3.79Å; M4-Y215 VanDerWaalsContact CG-CB 3.41Å; M4-Y215 HydrophobicContact CG-CG 4.39Å; M4-T216 HydrophobicContact CB-CG2 4Å; M4-T216 HydrophobicContact CG-CG2 4.27Å; M4-I219 HydrophobicContact CB-CD1 4.34Å |
| 5 | A | 91.8 | Very high | 92.4 | Very high | 30 Ų | 30 | 48.7 Ų | 48.7 | 25% | 0.248 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62 | -39.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1 I2 M8 P35 | L1-A5 PolarHBondContact O-N 3.28Å; L1-A5 VanDerWaalsContact O-N 3.08Å; I2-A5 WeakPolarHBondContact O-CB 3.31Å; I2-A5 PolarHBondContact O-N 2.98Å; I2-A5 VanDerWaalsContact O-N 3.11Å; A5-M8 WeakPolarHBondContact O-CB 3.43Å; A5-P35 HydrophobicContact CB-CB 3.89Å; A5-P35 VanDerWaalsContact O-CB 3.25Å; A5-P35 WeakPolarHBondContact O-CB 3.42Å; A5-P35 WeakPolarHBondContact O-CG 3.34Å |
| 6 | F | 93.7 | Very high | 92.3 | Very high | 68 Ų | 68 | 45.7 Ų | 45.7 | 30% | 0.298 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -74.7 | -29.9 | 174.3 | -77.5 | -71 | 0 | 0 | 0 | 113.3 | I2 A3 M4 M8 L9 T10 L32 P35 F36 | I2-F6 HydrophobicContact CG2-CD2 3.7Å; I2-F6 HydrophobicContact CG2-CE2 3.66Å; I2-F6 WeakPolarHBondContact O-CD2 3.47Å; I2-F6 PolarHBondContact O-N 2.89Å; A3-F6 PolarHBondContact O-N 2.91Å; M4-F6 VanDerWaalsContact C-N 3.29Å; M4-F6 PolarHBondContact O-N 2.73Å; F6-M8 VanDerWaalsContact C-N 3.28Å; F6-M8 PolarHBondContact O-N 2.96Å; F6-L9 WeakPolarHBondContact O-CA 3.36Å; F6-L9 WeakPolarHBondContact O-CB 3.27Å; F6-L9 PolarHBondContact O-N 3.29Å; F6-T10 WeakPolarHBondContact O-CG2 3.47Å; F6-T10 PolarHBondContact O-N 3.45Å; F6-L32 HydrophobicContact CE1-CD2 4.01Å; F6-P35 HydrophobicContact CD1-CG 4.38Å; F6-F36 HydrophobicContact CZ-CE2 4.15Å |
| 7 | L | 93.4 | Very high | 92.4 | Very high | 11 Ų | 11 | 50.9 Ų | 50.9 | 6% | 0.058 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.2 | -39.1 | 174.3 | -172.3 | 157.4 | 0 | 0 | 0 | 111.6 | A3 M4 L9 T10 E11 Y215 I219 | A3-L7 WeakPolarHBondContact O-CB 3.06Å; A3-L7 PolarHBondContact O-N 3.15Å; M4-L7 PolarHBondContact O-N 3.3Å; M4-L7 VanDerWaalsContact O-N 3.13Å; L7-L9 PolarHBondContact O-N 3.09Å; L7-T10 WeakPolarHBondContact CA-OG1 3.18Å; L7-T10 PolarHBondContact O-N 2.84Å; L7-T10 VanDerWaalsContact O-N 3.13Å; L7-T10 PolarHBondContact O-OG1 3.39Å; L7-E11 WeakPolarHBondContact O-CB 3.41Å; L7-E11 PolarHBondContact O-N 3.43Å; L7-Y215 HydrophobicContact CD2-CD1 3.29Å; L7-Y215 HydrophobicContact CD2-CE1 3.59Å; L7-Y215 HydrophobicContact CD2-CG 4.33Å; L7-I219 HydrophobicContact CB-CD1 4.33Å; L7-I219 HydrophobicContact CD1-CD1 3.68Å; L7-I219 HydrophobicContact CD1-CG1 3.32Å |
| 8 | M | 91.4 | Very high | 92.4 | Very high | 43 Ų | 43 | 52.8 Ų | 52.8 | 21% | 0.212 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -54.3 | -40.6 | 171.1 | -82.6 | -76.1 | -112.9 | 0 | 0 | 113.2 | M4 A5 F6 R12 F211 Y215 | M4-M8 PolarHBondContact O-N 3.06Å; M4-M8 VanDerWaalsContact O-N 3.13Å; A5-M8 WeakPolarHBondContact O-CB 3.43Å; F6-M8 VanDerWaalsContact C-N 3.28Å; F6-M8 PolarHBondContact O-N 2.96Å; M8-R12 WeakPolarHBondContact O-CG 3.36Å; M8-R12 PolarHBondContact O-N 3.33Å; M8-F211 HydrophobicContact CE-CD1 4.48Å; M8-Y215 HydrophobicContact CE-CD2 4.37Å; M8-Y215 HydrophobicContact CE-CE2 3.71Å; M8-Y215 HydrophobicContact CG-CD2 3.93Å; M8-Y215 HydrophobicContact CG-CE2 3.82Å; M8-Y215 HydrophobicContact CG-CG 4.43Å; M8-Y215 HydrophobicContact SD-CD2 3.77Å; M8-Y215 HydrophobicContact SD-CE1 4.1Å; M8-Y215 HydrophobicContact SD-CE2 3.03Å; M8-Y215 WeakPolarHBondContact SD-CE2 3.48Å; M8-Y215 PolarHBondContact SD-OH 3.43Å |
| 9 | L | 93.8 | Very high | 92.5 | Very high | 9 Ų | 9 | 55.6 Ų | 55.6 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -72.1 | -43.2 | 175.9 | 172.5 | 150.9 | 0 | 0 | 0 | 111.9 | F6 L7 E11 R12 K13 G31 Q34 P35 | F6-L9 WeakPolarHBondContact O-CA 3.36Å; F6-L9 WeakPolarHBondContact O-CB 3.27Å; F6-L9 PolarHBondContact O-N 3.29Å; L7-L9 PolarHBondContact O-N 3.09Å; L9-E11 VanDerWaalsContact C-N 3.29Å; L9-E11 PolarHBondContact O-N 3.08Å; L9-R12 PolarHBondContact O-N 3Å; L9-K13 HydrophobicContact CD2-CD 3.88Å; L9-K13 HydrophobicContact CD2-CG 4.45Å; L9-K13 PolarHBondContact O-N 3.16Å; L9-G31 WeakPolarHBondContact CD1-O 3.25Å; L9-Q34 HydrophobicContact CD1-CB 4.3Å; L9-P35 HydrophobicContact CB-CG 3.88Å; L9-P35 HydrophobicContact CD1-CG 4.16Å |
| 10 | T | 93 | Very high | 92.6 | Very high | 56 Ų | 56 | 61.3 Ų | 61.3 | 34% | 0.344 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | -179.4 | 63.3 | 0 | 0 | 0 | 0 | 110.6 | F6 L7 K13 I14 | F6-T10 WeakPolarHBondContact O-CG2 3.47Å; F6-T10 PolarHBondContact O-N 3.45Å; L7-T10 WeakPolarHBondContact CA-OG1 3.18Å; L7-T10 PolarHBondContact O-N 2.84Å; L7-T10 VanDerWaalsContact O-N 3.13Å; L7-T10 PolarHBondContact O-OG1 3.39Å; T10-K13 PolarHBondContact O-N 3.35Å; T10-I14 WeakPolarHBondContact O-CB 3.03Å; T10-I14 VanDerWaalsContact O-CG1 3.28Å; T10-I14 WeakPolarHBondContact O-CG1 3.48Å; T10-I14 PolarHBondContact O-N 2.65Å |
| 11 | E | 93.1 | Very high | 92.7 | Very high | 5 Ų | 5 | 65 Ų | 65 | 2% | 0.023 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.6 | -56.2 | 172.6 | 174 | 161.6 | -148.1 | 0 | 0 | 111.9 | L7 L9 K13 I14 L15 Y215 L258 R261 | L7-E11 WeakPolarHBondContact O-CB 3.41Å; L7-E11 PolarHBondContact O-N 3.43Å; L9-E11 VanDerWaalsContact C-N 3.29Å; L9-E11 PolarHBondContact O-N 3.08Å; E11-K13 PolarHBondContact O-N 3.34Å; E11-K13 VanDerWaalsContact O-N 3.13Å; E11-I14 PolarHBondContact O-N 3.46Å; E11-I14 VanDerWaalsContact O-N 3.16Å; E11-L15 HydrophobicContact CG-CD1 3.56Å; E11-L15 HydrophobicContact CG-CG 3.98Å; E11-L15 VanDerWaalsContact O-CB 3.31Å; E11-L15 WeakPolarHBondContact O-CB 3.32Å; E11-L15 WeakPolarHBondContact O-CG 3.15Å; E11-L15 PolarHBondContact O-N 3.05Å; E11-Y215 WeakPolarHBondContact OE2-CE1 3.47Å; E11-Y215 VanDerWaalsContact OE2-CZ 3.29Å; E11-Y215 PolarHBondContact OE2-OH 3.23Å; E11-L258 HydrophobicContact CB-CD1 4.17Å; E11-L258 HydrophobicContact CB-CD2 3.64Å; E11-L258 HydrophobicContact CG-CD2 3.62Å; E11-R261 WeakPolarHBondContact OE1-CD 3.47Å; E11-R261 IonicContact OE1-CZ 2.84Å; E11-R261 IonicContact OE1-NE 2.87Å; E11-R261 IonicContact OE1-NH1 2.89Å; E11-R261 PolarHBondContact OE1-NH1 2.94Å |
| 12 | R | 93.3 | Very high | 92.9 | Very high | 91 Ų | 91 | 67.3 Ų | 67.3 | 34% | 0.343 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.1 | -31.4 | -179.6 | -69.7 | -178.1 | -176.4 | 164.9 | 10.5 | 112.8 | M8 L9 G16 P24 D38 | M8-R12 WeakPolarHBondContact O-CG 3.36Å; M8-R12 PolarHBondContact O-N 3.33Å; L9-R12 PolarHBondContact O-N 3Å; R12-G16 PolarHBondContact O-N 2.92Å; R12-G16 VanDerWaalsContact O-N 3.11Å; R12-P24 HydrophobicContact CB-CG 3.82Å; R12-D38 IonicContact CZ-OD2 3.28Å; R12-D38 IonicContact NH1-OD1 3.59Å; R12-D38 IonicContact NH1-OD2 2.72Å; R12-D38 PolarHBondContact NH1-OD2 2.96Å; R12-D38 IonicContact NH2-OD2 3.36Å; R12-D38 PolarHBondContact NH2-OD2 3.05Å |
| 13 | K | 93.3 | Very high | 92.9 | Very high | 36 Ų | 36 | 61.9 Ų | 61.9 | 16% | 0.157 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -73.3 | -49.5 | 174.7 | -77.3 | -171.2 | 175.2 | -178.8 | 0 | 112.6 | L9 T10 E11 G16 Y17 Y30 | L9-K13 HydrophobicContact CD2-CD 3.88Å; L9-K13 HydrophobicContact CD2-CG 4.45Å; L9-K13 PolarHBondContact O-N 3.16Å; T10-K13 PolarHBondContact O-N 3.35Å; E11-K13 PolarHBondContact O-N 3.34Å; E11-K13 VanDerWaalsContact O-N 3.13Å; K13-G16 PolarHBondContact O-N 2.87Å; K13-G16 VanDerWaalsContact O-N 3.15Å; K13-Y17 HydrophobicContact CB-CD2 4.41Å; K13-Y17 HydrophobicContact CB-CE2 4.22Å; K13-Y17 WeakPolarHBondContact O-CD2 3.37Å; K13-Y17 PolarHBondContact O-N 3.39Å; K13-Y30 WeakPolarHBondContact CE-O 3.36Å; K13-Y30 PolarHBondContact NZ-O 3.46Å |
| 14 | I | 93 | Very high | 92.9 | Very high | 44 Ų | 44 | 60.1 Ų | 60.1 | 23% | 0.226 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.9 | -48.3 | -179.9 | -71.7 | 166.4 | 0 | 0 | 0 | 109.8 | T10 E11 G16 Y17 M18 L258 | T10-I14 WeakPolarHBondContact O-CB 3.03Å; T10-I14 VanDerWaalsContact O-CG1 3.28Å; T10-I14 WeakPolarHBondContact O-CG1 3.48Å; T10-I14 PolarHBondContact O-N 2.65Å; E11-I14 PolarHBondContact O-N 3.46Å; E11-I14 VanDerWaalsContact O-N 3.16Å; I14-G16 VanDerWaalsContact C-N 3.29Å; I14-G16 PolarHBondContact O-N 3.4Å; I14-Y17 PolarHBondContact O-N 2.82Å; I14-M18 HydrophobicContact CG2-CE 3.5Å; I14-M18 HydrophobicContact CG2-CG 4.46Å; I14-M18 HydrophobicContact CG2-SD 3.57Å; I14-M18 VanDerWaalsContact CG2-SD 3.57Å; I14-M18 WeakPolarHBondContact O-CB 3.3Å; I14-M18 WeakPolarHBondContact O-CG 3.11Å; I14-M18 PolarHBondContact O-N 2.99Å; I14-L258 HydrophobicContact CD1-CD1 3.64Å; I14-L258 HydrophobicContact CG2-CB 4.18Å |
| 15 | L | 91.9 | Very high | 93 | Very high | 24 Ų | 24 | 62 Ų | 62 | 13% | 0.126 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55 | -45.9 | 172.8 | -68.1 | 176.1 | 0 | 0 | 0 | 111.4 | E11 Q19 R261 T262 | E11-L15 HydrophobicContact CG-CD1 3.56Å; E11-L15 HydrophobicContact CG-CG 3.98Å; E11-L15 VanDerWaalsContact O-CB 3.31Å; E11-L15 WeakPolarHBondContact O-CB 3.32Å; E11-L15 WeakPolarHBondContact O-CG 3.15Å; E11-L15 PolarHBondContact O-N 3.05Å; L15-Q19 VanDerWaalsContact O-CB 3.3Å; L15-Q19 WeakPolarHBondContact O-CB 3.02Å; L15-Q19 WeakPolarHBondContact O-CG 3.19Å; L15-Q19 PolarHBondContact O-N 3Å; L15-R261 HydrophobicContact CD2-CG 4.03Å; L15-T262 HydrophobicContact CD2-CG2 3.26Å; L15-T262 HydrophobicContact CG-CG2 4.4Å |
| 16 | G | 92.1 | Very high | 93 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.3 | -55.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R12 K13 I14 M18 Q19 L20 R21 | R12-G16 PolarHBondContact O-N 2.92Å; R12-G16 VanDerWaalsContact O-N 3.11Å; K13-G16 PolarHBondContact O-N 2.87Å; K13-G16 VanDerWaalsContact O-N 3.15Å; I14-G16 VanDerWaalsContact C-N 3.29Å; I14-G16 PolarHBondContact O-N 3.4Å; G16-M18 VanDerWaalsContact C-N 3.34Å; G16-M18 PolarHBondContact O-N 2.84Å; G16-Q19 CarbonylContact O-C 3.18Å; G16-Q19 PolarHBondContact O-N 2.95Å; G16-Q19 VanDerWaalsContact O-N 3.1Å; G16-L20 PolarHBondContact O-N 3.08Å; G16-R21 CarbonylContact C-O 3.36Å; G16-R21 CarbonylContact O-C 3.43Å; G16-R21 WeakPolarHBondContact O-CG 2.91Å; G16-R21 PolarHBondContact O-N 2.86Å |
| 17 | Y | 93.6 | Very high | 92.7 | Very high | 134 Ų | 134 | 66.6 Ų | 66.6 | 53% | 0.525 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | -177 | -72.1 | -61.5 | 0 | 0 | 0 | 112.7 | K13 I14 Q19 L20 R21 | K13-Y17 HydrophobicContact CB-CD2 4.41Å; K13-Y17 HydrophobicContact CB-CE2 4.22Å; K13-Y17 WeakPolarHBondContact O-CD2 3.37Å; K13-Y17 PolarHBondContact O-N 3.39Å; I14-Y17 PolarHBondContact O-N 2.82Å; Y17-Q19 VanDerWaalsContact C-N 3.28Å; Y17-Q19 PolarHBondContact O-N 3.32Å; Y17-L20 PolarHBondContact O-N 3.31Å; Y17-R21 PolarHBondContact N-O 3.4Å |
| 18 | M | 92.8 | Very high | 92.6 | Very high | 85 Ų | 85 | 67.4 Ų | 67.4 | 42% | 0.419 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.4 | -31.3 | 175.9 | -71.5 | 171.5 | 174.2 | 0 | 0 | 112.4 | I14 G16 L20 W259 T262 | I14-M18 HydrophobicContact CG2-CE 3.5Å; I14-M18 HydrophobicContact CG2-CG 4.46Å; I14-M18 HydrophobicContact CG2-SD 3.57Å; I14-M18 VanDerWaalsContact CG2-SD 3.57Å; I14-M18 WeakPolarHBondContact O-CB 3.3Å; I14-M18 WeakPolarHBondContact O-CG 3.11Å; I14-M18 PolarHBondContact O-N 2.99Å; G16-M18 VanDerWaalsContact C-N 3.34Å; G16-M18 PolarHBondContact O-N 2.84Å; M18-L20 VanDerWaalsContact C-N 3.28Å; M18-L20 PolarHBondContact O-N 3.09Å; M18-W259 HydrophobicContact CE-CB 3.69Å; M18-W259 HydrophobicContact CE-CG 3.75Å; M18-W259 HydrophobicContact SD-CB 4.42Å; M18-W259 HydrophobicContact SD-CG 4.47Å; M18-T262 HydrophobicContact CB-CG2 3.94Å; M18-T262 HydrophobicContact CG-CG2 4.37Å; M18-T262 HydrophobicContact SD-CG2 3.52Å; M18-T262 VanDerWaalsContact SD-CG2 3.52Å; M18-T262 PolarHBondContact SD-OG1 2.98Å |
| 19 | Q | 93.3 | Very high | 92.6 | Very high | 106 Ų | 106 | 69.4 Ų | 69.4 | 50% | 0.495 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 16.4 | 175 | -66 | 172.6 | -7.9 | 0 | 0 | 113.3 | L15 G16 Y17 R21 | L15-Q19 VanDerWaalsContact O-CB 3.3Å; L15-Q19 WeakPolarHBondContact O-CB 3.02Å; L15-Q19 WeakPolarHBondContact O-CG 3.19Å; L15-Q19 PolarHBondContact O-N 3Å; G16-Q19 CarbonylContact O-C 3.18Å; G16-Q19 PolarHBondContact O-N 2.95Å; G16-Q19 VanDerWaalsContact O-N 3.1Å; Y17-Q19 VanDerWaalsContact C-N 3.28Å; Y17-Q19 PolarHBondContact O-N 3.32Å; Q19-R21 HydrophobicContact CB-CG 4.25Å; Q19-R21 PolarHBondContact O-N 3.23Å |
| 20 | L | 94.6 | Very high | 92.4 | Very high | 170 Ų | 170 | 77.2 Ų | 77.2 | 89% | 0.89 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 30.5 | -178.9 | -61.4 | 171.3 | 0 | 0 | 0 | 114.4 | G16 Y17 M18 | G16-L20 PolarHBondContact O-N 3.08Å; Y17-L20 PolarHBondContact O-N 3.31Å; M18-L20 VanDerWaalsContact C-N 3.28Å; M18-L20 PolarHBondContact O-N 3.09Å |
| 21 | R | 94.8 | Very high | 92.4 | Very high | 139 Ų | 139 | 74.6 Ų | 74.6 | 53% | 0.525 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -128 | 165.9 | 173.9 | 65.8 | -177.2 | 178.6 | 104.9 | -2 | 111.5 | G16 Y17 Q19 | G16-R21 CarbonylContact C-O 3.36Å; G16-R21 CarbonylContact O-C 3.43Å; G16-R21 WeakPolarHBondContact O-CG 2.91Å; G16-R21 PolarHBondContact O-N 2.86Å; Y17-R21 PolarHBondContact N-O 3.4Å; Q19-R21 HydrophobicContact CB-CG 4.25Å; Q19-R21 PolarHBondContact O-N 3.23Å |
| 22 | K | 91.4 | Very high | 92.3 | Very high | 161 Ų | 161 | 78.2 Ų | 78.2 | 70% | 0.7 | 39% | 0.386 | S | S | * | . | trans | -83.5 | 139.3 | 173.9 | -67.8 | 179.3 | -177.8 | 177.2 | 0 | 109.8 | ||||
| 23 | G | 93.4 | Very high | 92.4 | Very high | 10 Ų | 10 | 78.3 Ų | 78.3 | 10% | 0.103 | 39% | 0.392 | C | S | . | . | trans | -71.3 | -171.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N25 | G23-N25 PolarHBondContact O-N 2.95Å; G23-N25 VanDerWaalsContact O-N 3.11Å | ||
| 24 | P | 91.5 | Very high | 92.4 | Very high | 27 Ų | 27 | 78.1 Ų | 78.1 | 18% | 0.175 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -58 | 116.3 | 177.9 | -21.2 | 31.9 | 0 | 0 | 0 | 111.2 | R12 G31 Q34 | R12-P24 HydrophobicContact CB-CG 3.82Å; P24-G31 WeakPolarHBondContact O-CA 2.95Å; P24-Q34 HydrophobicContact CB-CB 4.45Å; P24-Q34 HydrophobicContact CB-CG 4.1Å; P24-Q34 HydrophobicContact CG-CG 4.47Å |
| 25 | N | 93.3 | Very high | 92.4 | Very high | 52 Ų | 52 | 76.6 Ų | 76.6 | 28% | 0.278 | 39% | 0.385 | S | S | . | . | trans | -129.5 | -6.1 | -177.9 | -78 | -13.6 | 0 | 0 | 0 | 114 | G23 | G23-N25 PolarHBondContact O-N 2.95Å; G23-N25 VanDerWaalsContact O-N 3.11Å | ||
| 26 | V | 91.6 | Very high | 92.4 | Very high | 141 Ų | 141 | 81.3 Ų | 81.3 | 86% | 0.855 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -90.5 | -41.9 | -173.6 | -178.8 | 0 | 0 | 0 | 0 | 112.3 | G28 | V26-G28 PolarHBondContact O-N 3.46Š|
| 27 | V | 89.2 | Confident | 92.4 | Very high | 54 Ų | 54 | 83.2 Ų | 83.2 | 33% | 0.327 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -78.5 | 88.8 | -177.2 | -176.1 | 0 | 0 | 0 | 0 | 110 | G31 L33 Q34 A37 | V27-G31 CarbonylContact O-C 3.32Å; V27-G31 WeakPolarHBondContact O-CA 3.13Å; V27-L33 HydrophobicContact CG1-CB 4.05Å; V27-L33 PolarHBondContact O-N 3.13Å; V27-Q34 HydrophobicContact CB-CB 4.49Å; V27-Q34 VanDerWaalsContact CG2-OE1 3.22Å; V27-A37 HydrophobicContact CG1-CB 3.98Å |
| 28 | G | 91.2 | Very high | 92.3 | Very high | 28 Ų | 28 | 78.4 Ų | 78.4 | 29% | 0.289 | 40% | 0.404 | S | S | . | . | S | Bend | trans | 80.6 | 175.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V26 Y30 G31 | V26-G28 PolarHBondContact O-N 3.46Å; G28-Y30 PolarHBondContact O-N 3.33Å; G28-Y30 VanDerWaalsContact O-N 3.16Å; G28-G31 PolarHBondContact O-N 3.11Å |
| 29 | P | 90.7 | Very high | 92.2 | Very high | 85 Ų | 85 | 76.3 Ų | 76.3 | 55% | 0.552 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -61.5 | 120.2 | -178.5 | 25.2 | -32.7 | 0 | 0 | 0 | 109.9 | G31 L32 | P29-G31 PolarHBondContact O-N 3.35Å; P29-G31 VanDerWaalsContact O-N 3.08Å; P29-L32 HydrophobicContact CG-CD1 4.39Å; P29-L32 WeakPolarHBondContact O-CB 3.43Å; P29-L32 WeakPolarHBondContact O-CG 3.09Å; P29-L32 PolarHBondContact O-N 3.04Å; P29-L32 VanDerWaalsContact O-N 3.09Å |
| 30 | Y | 90.5 | Very high | 92.1 | Very high | 174 Ų | 174 | 77.7 Ų | 77.7 | 68% | 0.682 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | 49.4 | 32 | -173.1 | -59 | -81.6 | 0 | 0 | 0 | 113.5 | K13 G28 L32 | K13-Y30 WeakPolarHBondContact CE-O 3.36Å; K13-Y30 PolarHBondContact NZ-O 3.46Å; G28-Y30 PolarHBondContact O-N 3.33Å; G28-Y30 VanDerWaalsContact O-N 3.16Å; Y30-L32 VanDerWaalsContact C-N 3.29Å; Y30-L32 PolarHBondContact O-N 2.9Å |
| 31 | G | 91.4 | Very high | 92 | Very high | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | 75.6 | 5.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | L9 P24 V27 G28 P29 L33 Q34 | L9-G31 WeakPolarHBondContact CD1-O 3.25Å; P24-G31 WeakPolarHBondContact O-CA 2.95Å; V27-G31 CarbonylContact O-C 3.32Å; V27-G31 WeakPolarHBondContact O-CA 3.13Å; G28-G31 PolarHBondContact O-N 3.11Å; P29-G31 PolarHBondContact O-N 3.35Å; P29-G31 VanDerWaalsContact O-N 3.08Å; G31-L33 PolarHBondContact O-N 2.87Å; G31-Q34 WeakPolarHBondContact O-CB 3.02Å; G31-Q34 PolarHBondContact O-N 3.5Å |
| 32 | L | 92.8 | Very high | 91.8 | Very high | 82 Ų | 82 | 71.7 Ų | 71.7 | 43% | 0.429 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -24.8 | -174.9 | -77 | 170.4 | 0 | 0 | 0 | 114.4 | F6 P29 Y30 P35 | F6-L32 HydrophobicContact CE1-CD2 4.01Å; P29-L32 HydrophobicContact CG-CD1 4.39Å; P29-L32 WeakPolarHBondContact O-CB 3.43Å; P29-L32 WeakPolarHBondContact O-CG 3.09Å; P29-L32 PolarHBondContact O-N 3.04Å; P29-L32 VanDerWaalsContact O-N 3.09Å; Y30-L32 VanDerWaalsContact C-N 3.29Å; Y30-L32 PolarHBondContact O-N 2.9Å; L32-P35 WeakPolarHBondContact O-CD 3.43Å |
| 33 | L | 94.2 | Very high | 91.7 | Very high | 93 Ų | 93 | 70 Ų | 70 | 49% | 0.487 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -4.8 | 178.2 | -64.3 | 175.8 | 0 | 0 | 0 | 113.4 | V27 G31 F36 A37 | V27-L33 HydrophobicContact CG1-CB 4.05Å; V27-L33 PolarHBondContact O-N 3.13Å; G31-L33 PolarHBondContact O-N 2.87Å; L33-F36 HydrophobicContact CD2-CD2 4.28Å; L33-F36 PolarHBondContact O-N 2.91Å; L33-A37 PolarHBondContact O-N 3.42Å; L33-A37 VanDerWaalsContact O-N 3.09Å |
| 34 | Q | 93.4 | Very high | 91.6 | Very high | 32 Ų | 32 | 74.6 Ų | 74.6 | 15% | 0.15 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -56.4 | -44.8 | 180 | -173.2 | 71.4 | 45.7 | 0 | 0 | 113.5 | L9 P24 V27 G31 F36 A37 D38 | L9-Q34 HydrophobicContact CD1-CB 4.3Å; P24-Q34 HydrophobicContact CB-CB 4.45Å; P24-Q34 HydrophobicContact CB-CG 4.1Å; P24-Q34 HydrophobicContact CG-CG 4.47Å; V27-Q34 HydrophobicContact CB-CB 4.49Å; V27-Q34 VanDerWaalsContact CG2-OE1 3.22Å; G31-Q34 WeakPolarHBondContact O-CB 3.02Å; G31-Q34 PolarHBondContact O-N 3.5Å; Q34-F36 VanDerWaalsContact C-N 3.28Å; Q34-F36 PolarHBondContact O-N 2.88Å; Q34-A37 PolarHBondContact O-N 3.36Å; Q34-D38 PolarHBondContact NE2-OD1 2.92Å; Q34-D38 PolarHBondContact O-N 2.92Å |
| 35 | P | 92.6 | Very high | 91.7 | Very high | 12 Ų | 12 | 79 Ų | 79 | 8% | 0.078 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.1 | -35.7 | -179.2 | -23.5 | 36 | 0 | 0 | 0 | 112.9 | A5 F6 L9 L32 A39 | A5-P35 HydrophobicContact CB-CB 3.89Å; A5-P35 VanDerWaalsContact O-CB 3.25Å; A5-P35 WeakPolarHBondContact O-CB 3.42Å; A5-P35 WeakPolarHBondContact O-CG 3.34Å; F6-P35 HydrophobicContact CD1-CG 4.38Å; L9-P35 HydrophobicContact CB-CG 3.88Å; L9-P35 HydrophobicContact CD1-CG 4.16Å; L32-P35 WeakPolarHBondContact O-CD 3.43Å; P35-A39 WeakPolarHBondContact O-CB 3.36Å; P35-A39 PolarHBondContact O-N 3.3Å |
| 36 | F | 91.8 | Very high | 91.5 | Very high | 122 Ų | 122 | 83.7 Ų | 83.7 | 54% | 0.535 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69 | -40.8 | 176.4 | -64.3 | -75.6 | 0 | 0 | 0 | 111.4 | F6 L33 Q34 A39 M40 | F6-F36 HydrophobicContact CZ-CE2 4.15Å; L33-F36 HydrophobicContact CD2-CD2 4.28Å; L33-F36 PolarHBondContact O-N 2.91Å; Q34-F36 VanDerWaalsContact C-N 3.28Å; Q34-F36 PolarHBondContact O-N 2.88Å; F36-A39 PolarHBondContact O-N 3.25Å; F36-M40 WeakPolarHBondContact O-CB 3.35Å; F36-M40 PolarHBondContact O-N 3.46Å |
| 37 | A | 92.6 | Very high | 91.2 | Very high | 40 Ų | 40 | 80.3 Ų | 80.3 | 33% | 0.331 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | V27 L33 Q34 K41 | V27-A37 HydrophobicContact CG1-CB 3.98Å; L33-A37 PolarHBondContact O-N 3.42Å; L33-A37 VanDerWaalsContact O-N 3.09Å; Q34-A37 PolarHBondContact O-N 3.36Å; A37-K41 VanDerWaalsContact O-CB 3.26Å; A37-K41 WeakPolarHBondContact O-CB 3.23Å; A37-K41 PolarHBondContact O-N 3.15Å |
| 38 | D | 90.8 | Very high | 90.9 | Very high | 33 Ų | 33 | 82.9 Ų | 82.9 | 18% | 0.176 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -65.6 | -43.9 | 177.1 | -75.3 | 2.2 | 0 | 0 | 0 | 111.3 | R12 Q34 K41 L42 | R12-D38 IonicContact CZ-OD2 3.28Å; R12-D38 IonicContact NH1-OD1 3.59Å; R12-D38 IonicContact NH1-OD2 2.72Å; R12-D38 PolarHBondContact NH1-OD2 2.96Å; R12-D38 IonicContact NH2-OD2 3.36Å; R12-D38 PolarHBondContact NH2-OD2 3.05Å; Q34-D38 PolarHBondContact NE2-OD1 2.92Å; Q34-D38 PolarHBondContact O-N 2.92Å; D38-K41 PolarHBondContact O-N 3.13Å; D38-L42 WeakPolarHBondContact O-CB 3.23Å; D38-L42 WeakPolarHBondContact O-CG 3.39Å; D38-L42 PolarHBondContact O-N 2.82Å |
| 39 | A | 90.5 | Very high | 90.5 | Very high | 41 Ų | 41 | 87.8 Ų | 87.8 | 34% | 0.339 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.8 | -49.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | P35 F36 K41 L42 F43 | P35-A39 WeakPolarHBondContact O-CB 3.36Å; P35-A39 PolarHBondContact O-N 3.3Å; F36-A39 PolarHBondContact O-N 3.25Å; A39-K41 VanDerWaalsContact C-N 3.33Å; A39-K41 PolarHBondContact O-N 3.27Å; A39-L42 PolarHBondContact O-N 3.24Å; A39-F43 WeakPolarHBondContact O-CD2 3.34Å; A39-F43 PolarHBondContact O-N 3.26Å |
| 40 | M | 91.9 | Very high | 90 | Very high | 135 Ų | 135 | 85.2 Ų | 85.2 | 67% | 0.665 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -58.2 | -47.2 | 178.4 | -171.6 | 177.4 | -176.5 | 0 | 0 | 110.8 | F36 L42 F43 T44 | F36-M40 WeakPolarHBondContact O-CB 3.35Å; F36-M40 PolarHBondContact O-N 3.46Å; M40-L42 PolarHBondContact O-N 3.21Å; M40-F43 PolarHBondContact O-N 3.49Å; M40-T44 HydrophobicContact CG-CG2 4.27Å; M40-T44 WeakPolarHBondContact O-CB 3.01Å; M40-T44 VanDerWaalsContact O-CG2 3.31Å; M40-T44 WeakPolarHBondContact O-CG2 3.43Å; M40-T44 PolarHBondContact O-N 3.46Å; M40-T44 PolarHBondContact O-OG1 2.89Å |
| 41 | K | 92.4 | Very high | 89.4 | Confident | 138 Ų | 138 | 82.4 Ų | 82.4 | 60% | 0.6 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -56.8 | -46.9 | 177.4 | 179.2 | -174.7 | 177.1 | -175.4 | 0 | 112.2 | A37 D38 A39 T44 K45 | A37-K41 VanDerWaalsContact O-CB 3.26Å; A37-K41 WeakPolarHBondContact O-CB 3.23Å; A37-K41 PolarHBondContact O-N 3.15Å; D38-K41 PolarHBondContact O-N 3.13Å; A39-K41 VanDerWaalsContact C-N 3.33Å; A39-K41 PolarHBondContact O-N 3.27Å; K41-T44 PolarHBondContact O-OG1 3.42Å; K41-K45 WeakPolarHBondContact O-CB 3.28Å; K41-K45 PolarHBondContact O-N 3.04Å; K41-K45 VanDerWaalsContact O-N 3.11Å |
| 42 | L | 90.4 | Very high | 88.8 | Confident | 45 Ų | 45 | 86.4 Ų | 86.4 | 24% | 0.236 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -68 | -34 | -177.1 | -72.9 | 171 | 0 | 0 | 0 | 112.4 | D38 A39 M40 A204 G205 F207 A208 | D38-L42 WeakPolarHBondContact O-CB 3.23Å; D38-L42 WeakPolarHBondContact O-CG 3.39Å; D38-L42 PolarHBondContact O-N 2.82Å; A39-L42 PolarHBondContact O-N 3.24Å; M40-L42 PolarHBondContact O-N 3.21Å; L42-A204 CarbonylContact O-C 2.99Å; L42-A204 VanDerWaalsContact O-C 3.32Å; L42-A204 WeakPolarHBondContact O-CA 3.33Å; L42-A204 WeakPolarHBondContact O-CB 3.37Å; L42-G205 PolarHBondContact O-N 3.16Å; L42-F207 HydrophobicContact CD2-CD1 4.23Å; L42-A208 HydrophobicContact CB-CB 4.19Å; L42-A208 HydrophobicContact CD1-CB 3.91Å |
| 43 | F | 90 | Very high | 88.4 | Confident | 126 Ų | 126 | 83.3 Ų | 83.3 | 55% | 0.553 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -82.4 | -26.8 | 177.7 | -71.1 | -61.5 | 0 | 0 | 0 | 114 | A39 M40 M212 | A39-F43 WeakPolarHBondContact O-CD2 3.34Å; A39-F43 PolarHBondContact O-N 3.26Å; M40-F43 PolarHBondContact O-N 3.49Å; F43-M212 HydrophobicContact CZ-CE 3.99Å |
| 44 | T | 92.1 | Very high | 88.1 | Confident | 106 Ų | 106 | 81.4 Ų | 81.4 | 65% | 0.65 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -82.2 | -19.5 | 175.5 | 56 | 0 | 0 | 0 | 0 | 113.4 | M40 K41 | M40-T44 HydrophobicContact CG-CG2 4.27Å; M40-T44 WeakPolarHBondContact O-CB 3.01Å; M40-T44 VanDerWaalsContact O-CG2 3.31Å; M40-T44 WeakPolarHBondContact O-CG2 3.43Å; M40-T44 PolarHBondContact O-N 3.46Å; M40-T44 PolarHBondContact O-OG1 2.89Å; K41-T44 PolarHBondContact O-OG1 3.42Å |
| 45 | K | 92.6 | Very high | 87.7 | Confident | 120 Ų | 120 | 85.1 Ų | 85.1 | 52% | 0.522 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -70.8 | 140 | -179.8 | -170.2 | 177.7 | -176.4 | -172.4 | 0 | 109.9 | K41 A204 | K41-K45 WeakPolarHBondContact O-CB 3.28Å; K41-K45 PolarHBondContact O-N 3.04Å; K41-K45 VanDerWaalsContact O-N 3.11Å; K45-A204 HydrophobicContact CB-CB 3.84Å; K45-A204 HydrophobicContact CD-CB 4.46Å; K45-A204 HydrophobicContact CG-CB 4.21Å; K45-A204 WeakPolarHBondContact O-CB 3.39Å |
| 46 | E | 89.1 | Confident | 87.6 | Confident | 150 Ų | 150 | 89.7 Ų | 89.7 | 70% | 0.701 | 49% | 0.487 | S | S | * | . | trans | -57.5 | 127.7 | 177.6 | -172.1 | 177.9 | 175.4 | 0 | 0 | 110.9 | L48 | E46-L48 PolarHBondContact O-N 3.02Š| ||
| 47 | P | 84.3 | Confident | 87.5 | Confident | 70 Ų | 70 | 85.7 Ų | 85.7 | 46% | 0.455 | 47% | 0.471 | S | S | . | . | trans | -74.1 | 111.4 | 175.5 | 29.2 | -32.1 | 0 | 0 | 0 | 109.7 | K49 | P47-K49 PolarHBondContact O-N 3.38Š| ||
| 48 | L | 83.8 | Confident | 87.3 | Confident | 109 Ų | 109 | 84 Ų | 84 | 57% | 0.571 | 46% | 0.456 | S | S | * | . | trans | -72.4 | 125.4 | 170.8 | -64.5 | 169.6 | 0 | 0 | 0 | 109.1 | E46 Y58 A203 | E46-L48 PolarHBondContact O-N 3.02Å; L48-Y58 PolarHBondContact O-OH 2.66Å; L48-A203 HydrophobicContact CB-CB 3.75Å; L48-A203 HydrophobicContact CD1-CB 3.97Å; L48-A203 HydrophobicContact CG-CB 4.02Å | ||
| 49 | K | 82.4 | Confident | 87.3 | Confident | 131 Ų | 131 | 86.5 Ų | 86.5 | 57% | 0.57 | 47% | 0.469 | S | S | * | . | trans | -115.5 | 117.5 | 171.1 | -69.6 | -177.7 | -178.6 | 178.3 | 0 | 108.7 | P47 | P47-K49 PolarHBondContact O-N 3.38Š| ||
| 50 | P | 80.8 | Confident | 87.4 | Confident | 31 Ų | 31 | 87.3 Ų | 87.3 | 20% | 0.201 | 47% | 0.47 | C | S | . | . | trans | -65.9 | 139.1 | 177.5 | -7 | 16.8 | 0 | 0 | 0 | 111.1 | T52 S53 Y58 E201 | P50-T52 PolarHBondContact O-N 3.21Å; P50-S53 PolarHBondContact O-N 2.89Å; P50-S53 PolarHBondContact O-OG 3.35Å; P50-Y58 HydrophobicContact CG-CE2 4.19Å; P50-E201 HydrophobicContact CG-CB 3.88Å; P50-E201 HydrophobicContact CG-CG 4.26Å; P50-E201 WeakPolarHBondContact CG-OE2 3.42Å | ||
| 51 | A | 77.1 | Confident | 87.4 | Confident | 114 Ų | 114 | 80.9 Ų | 80.9 | 94% | 0.942 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -24.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | S53 | A51-S53 VanDerWaalsContact C-N 3.34Š|
| 52 | T | 79.4 | Confident | 87.4 | Confident | 85 Ų | 85 | 74.3 Ų | 74.3 | 52% | 0.521 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -5.3 | -179.6 | 47.2 | 0 | 0 | 0 | 0 | 113.7 | P50 N111 | P50-T52 PolarHBondContact O-N 3.21Å; T52-N111 WeakPolarHBondContact O-CB 3.21Å; T52-N111 PolarHBondContact O-ND2 3.08Å |
| 53 | S | 83.5 | Confident | 87.6 | Confident | 16 Ų | 16 | 75.3 Ų | 75.3 | 11% | 0.112 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -83.3 | 148.1 | -171.6 | 68.2 | 0 | 0 | 0 | 0 | 113.4 | P50 A51 I55 A109 | P50-S53 PolarHBondContact O-N 2.89Å; P50-S53 PolarHBondContact O-OG 3.35Å; A51-S53 VanDerWaalsContact C-N 3.34Å; S53-I55 PolarHBondContact O-N 3.42Å; S53-A109 CarbonylContact C-O 3.47Å; S53-A109 WeakPolarHBondContact CA-O 3.45Å; S53-A109 WeakPolarHBondContact CB-O 3.22Å |
| 54 | T | 88.9 | Confident | 87.8 | Confident | 53 Ų | 53 | 71.3 Ų | 71.3 | 33% | 0.325 | 40% | 0.402 | S | S | . | . | trans | -81.5 | 103.6 | 170 | 54.2 | 0 | 0 | 0 | 0 | 109.7 | T56 L57 Y58 W108 A109 | T54-T56 VanDerWaalsContact C-N 3.3Å; T54-T56 PolarHBondContact O-N 3.17Å; T54-L57 PolarHBondContact O-N 3.4Å; T54-Y58 VanDerWaalsContact O-CB 3.29Å; T54-Y58 WeakPolarHBondContact O-CB 3.44Å; T54-Y58 PolarHBondContact O-N 3.27Å; T54-W108 HydrophobicContact CG2-CZ3 4.47Å; T54-A109 PolarHBondContact N-O 2.92Å; T54-A109 WeakPolarHBondContact OG1-CA 3.37Å; T54-A109 WeakPolarHBondContact OG1-CB 3.38Å | ||
| 55 | I | 85.6 | Confident | 87.9 | Confident | 111 Ų | 111 | 66.6 Ų | 66.6 | 57% | 0.569 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -56.4 | -40.3 | -167.9 | -63.3 | 163.8 | 0 | 0 | 0 | 113.1 | S53 I59 | S53-I55 PolarHBondContact O-N 3.42Å; I55-I59 HydrophobicContact CG2-CD1 3.79Å; I55-I59 WeakPolarHBondContact O-CG1 3.46Å; I55-I59 PolarHBondContact O-N 3.16Å; I55-I59 VanDerWaalsContact O-N 3.14Å |
| 56 | T | 89.9 | Confident | 88 | Confident | 108 Ų | 108 | 62.2 Ų | 62.2 | 66% | 0.663 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.5 | -53.9 | -177.6 | 50.5 | 0 | 0 | 0 | 0 | 111.1 | T54 I59 T60 | T54-T56 VanDerWaalsContact C-N 3.3Å; T54-T56 PolarHBondContact O-N 3.17Å; T56-I59 PolarHBondContact O-N 3.23Å; T56-T60 VanDerWaalsContact O-CG2 3.27Å; T56-T60 WeakPolarHBondContact O-CG2 3.35Å; T56-T60 PolarHBondContact O-N 2.87Å; T56-T60 PolarHBondContact O-OG1 3.29Å; T56-T60 VanDerWaalsContact O-OG1 3.1Å |
| 57 | L | 89.7 | Confident | 88.3 | Confident | 38 Ų | 38 | 58.4 Ų | 58.4 | 20% | 0.199 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.9 | -35.9 | -179.9 | -68.1 | 173.2 | 0 | 0 | 0 | 112.4 | T54 I59 T60 A61 W105 W108 A109 | T54-L57 PolarHBondContact O-N 3.4Å; L57-I59 VanDerWaalsContact C-N 3.28Å; L57-I59 PolarHBondContact O-N 3.1Å; L57-T60 WeakPolarHBondContact CA-OG1 3.39Å; L57-T60 PolarHBondContact O-N 3.36Å; L57-T60 PolarHBondContact O-OG1 2.95Å; L57-A61 VanDerWaalsContact O-CB 3.23Å; L57-A61 WeakPolarHBondContact O-CB 3.33Å; L57-A61 PolarHBondContact O-N 3.12Å; L57-W105 HydrophobicContact CD2-CB 4.49Å; L57-W105 HydrophobicContact CD2-CD2 3.89Å; L57-W105 HydrophobicContact CD2-CE3 4.05Å; L57-W105 HydrophobicContact CD2-CG 4.1Å; L57-W108 HydrophobicContact CD1-CE3 3.48Å; L57-W108 VanDerWaalsContact CD1-CE3 3.48Å; L57-W108 HydrophobicContact CD1-CZ3 3.4Å; L57-A109 HydrophobicContact CB-CB 3.71Å |
| 58 | Y | 88.6 | Confident | 88.9 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62 | -36.8 | 178.2 | -173.8 | -86.8 | 0 | 0 | 0 | 111.9 | L48 P50 T54 P62 E201 Y202 | L48-Y58 PolarHBondContact O-OH 2.66Å; P50-Y58 HydrophobicContact CG-CE2 4.19Å; T54-Y58 VanDerWaalsContact O-CB 3.29Å; T54-Y58 WeakPolarHBondContact O-CB 3.44Å; T54-Y58 PolarHBondContact O-N 3.27Å; Y58-P62 WeakPolarHBondContact O-CD 3.47Å; Y58-E201 HydrophobicContact CE2-CB 4.46Å; Y58-E201 PolarHBondContact OH-O 2.75Å; Y58-Y202 AromaticContact CD1-CE1 3.93Å; Y58-Y202 HydrophobicContact CD1-CE1 3.93Å; Y58-Y202 HydrophobicContact CD2-CD1 4.36Å; Y58-Y202 AromaticContact CD2-CE1 3.6Å; Y58-Y202 HydrophobicContact CD2-CE1 3.6Å; Y58-Y202 HydrophobicContact CD2-CE2 4.18Å; Y58-Y202 AromaticContact CD2-CZ 3.49Å; Y58-Y202 VanDerWaalsContact CD2-CZ 3.49Å; Y58-Y202 WeakPolarHBondContact CD2-OH 3.38Å; Y58-Y202 AromaticContact CE1-CD1 3.91Å; Y58-Y202 HydrophobicContact CE1-CD1 3.91Å; Y58-Y202 AromaticContact CE1-CE1 3.75Å; Y58-Y202 HydrophobicContact CE1-CE1 3.75Å; Y58-Y202 AromaticContact CE2-CD1 3.72Å; Y58-Y202 HydrophobicContact CE2-CD1 3.72Å; Y58-Y202 HydrophobicContact CE2-CD2 4.17Å; Y58-Y202 AromaticContact CE2-CE1 3.42Å; Y58-Y202 HydrophobicContact CE2-CE1 3.42Å; Y58-Y202 VanDerWaalsContact CE2-CE1 3.42Å; Y58-Y202 AromaticContact CE2-CE2 3.91Å; Y58-Y202 HydrophobicContact CE2-CE2 3.91Å; Y58-Y202 HydrophobicContact CE2-CG 4.11Å; Y58-Y202 AromaticContact CE2-CZ 3.53Å; Y58-Y202 AromaticContact CG-CE1 3.85Å; Y58-Y202 HydrophobicContact CG-CE1 3.85Å; Y58-Y202 AromaticContact CZ-CD1 3.46Å; Y58-Y202 VanDerWaalsContact CZ-CD1 3.46Å; Y58-Y202 AromaticContact CZ-CE1 3.5Å; Y58-Y202 WeakPolarHBondContact O-CE1 3.46Å; Y58-Y202 WeakPolarHBondContact OH-CA 3.5Å |
| 59 | I | 89.8 | Confident | 89.4 | Confident | 85 Ų | 85 | 50.1 Ų | 50.1 | 44% | 0.436 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -81.9 | -38.9 | 177.6 | -64 | 170.7 | 0 | 0 | 0 | 111.3 | I55 T56 L57 | I55-I59 HydrophobicContact CG2-CD1 3.79Å; I55-I59 WeakPolarHBondContact O-CG1 3.46Å; I55-I59 PolarHBondContact O-N 3.16Å; I55-I59 VanDerWaalsContact O-N 3.14Å; T56-I59 PolarHBondContact O-N 3.23Å; L57-I59 VanDerWaalsContact C-N 3.28Å; L57-I59 PolarHBondContact O-N 3.1Å |
| 60 | T | 92.4 | Very high | 90 | Very high | 58 Ų | 58 | 47.6 Ų | 47.6 | 36% | 0.356 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -73.8 | -34.6 | -176.2 | 58.3 | 0 | 0 | 0 | 0 | 112.8 | T56 L57 T63 L64 | T56-T60 VanDerWaalsContact O-CG2 3.27Å; T56-T60 WeakPolarHBondContact O-CG2 3.35Å; T56-T60 PolarHBondContact O-N 2.87Å; T56-T60 PolarHBondContact O-OG1 3.29Å; T56-T60 VanDerWaalsContact O-OG1 3.1Å; L57-T60 WeakPolarHBondContact CA-OG1 3.39Å; L57-T60 PolarHBondContact O-N 3.36Å; L57-T60 PolarHBondContact O-OG1 2.95Å; T60-T63 WeakPolarHBondContact CA-OG1 3.4Å; T60-T63 PolarHBondContact O-N 3.2Å; T60-T63 PolarHBondContact O-OG1 3.17Å; T60-L64 WeakPolarHBondContact O-CB 3.47Å; T60-L64 PolarHBondContact O-N 3.44Å |
| 61 | A | 92.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.8 | -50.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | L57 T63 L64 A65 W105 F210 | L57-A61 VanDerWaalsContact O-CB 3.23Å; L57-A61 WeakPolarHBondContact O-CB 3.33Å; L57-A61 PolarHBondContact O-N 3.12Å; A61-T63 VanDerWaalsContact C-N 3.31Å; A61-T63 PolarHBondContact O-N 3.46Å; A61-L64 PolarHBondContact O-N 3.28Å; A61-A65 PolarHBondContact O-N 3.21Å; A61-W105 HydrophobicContact CB-CB 3.91Å; A61-F210 HydrophobicContact CB-CZ 4.29Å |
| 62 | P | 92.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.2 | -35.6 | 175.9 | -13.2 | 20.6 | 0 | 0 | 0 | 113.2 | Y58 L66 Y202 P206 L209 F210 | Y58-P62 WeakPolarHBondContact O-CD 3.47Å; P62-L66 PolarHBondContact O-N 2.91Å; P62-Y202 HydrophobicContact CG-CD1 4.07Å; P62-Y202 HydrophobicContact CG-CE1 3.63Å; P62-P206 HydrophobicContact CG-CB 4.12Å; P62-L209 HydrophobicContact CB-CB 3.78Å; P62-L209 HydrophobicContact CB-CD1 3.89Å; P62-L209 HydrophobicContact CB-CG 4.49Å; P62-F210 HydrophobicContact CB-CD2 4.13Å; P62-F210 HydrophobicContact CB-CE2 3.79Å; P62-F210 HydrophobicContact CB-CZ 4.03Å; P62-F210 HydrophobicContact CG-CD2 4.28Å; P62-F210 HydrophobicContact CG-CE2 3.56Å; P62-F210 HydrophobicContact CG-CZ 3.9Å |
| 63 | T | 93.6 | Very high | 92.4 | Very high | 66 Ų | 66 | 44.4 Ų | 44.4 | 41% | 0.405 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.6 | -41.2 | 176.8 | 62.7 | 0 | 0 | 0 | 0 | 111.3 | T60 A61 A65 L66 T67 L209 | T60-T63 WeakPolarHBondContact CA-OG1 3.4Å; T60-T63 PolarHBondContact O-N 3.2Å; T60-T63 PolarHBondContact O-OG1 3.17Å; A61-T63 VanDerWaalsContact C-N 3.31Å; A61-T63 PolarHBondContact O-N 3.46Å; T63-A65 PolarHBondContact O-N 3.09Å; T63-L66 PolarHBondContact O-N 2.9Å; T63-T67 VanDerWaalsContact O-CG2 3.28Å; T63-T67 WeakPolarHBondContact O-CG2 3.48Å; T63-T67 PolarHBondContact O-N 3.11Å; T63-T67 PolarHBondContact O-OG1 3.08Å; T63-L209 HydrophobicContact CG2-CD1 4.35Å |
| 64 | L | 95.3 | Very high | 92.9 | Very high | 41 Ų | 41 | 45.2 Ų | 45.2 | 22% | 0.215 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.7 | -47.6 | 176.7 | -165.3 | 107.3 | 0 | 0 | 0 | 110.3 | T60 A61 L66 T67 I68 W105 | T60-L64 WeakPolarHBondContact O-CB 3.47Å; T60-L64 PolarHBondContact O-N 3.44Å; A61-L64 PolarHBondContact O-N 3.28Å; L64-L66 PolarHBondContact O-N 3.44Å; L64-T67 WeakPolarHBondContact CA-OG1 3.34Å; L64-T67 PolarHBondContact O-N 3.33Å; L64-T67 VanDerWaalsContact O-N 3.16Å; L64-T67 PolarHBondContact O-OG1 3.08Å; L64-I68 HydrophobicContact CD2-CD1 3.5Å; L64-I68 HydrophobicContact CG-CD1 3.7Å; L64-I68 HydrophobicContact CG-CG1 4.39Å; L64-I68 VanDerWaalsContact O-CG1 3.31Å; L64-I68 WeakPolarHBondContact O-CG1 3.4Å; L64-I68 PolarHBondContact O-N 3.41Å; L64-W105 HydrophobicContact CD1-CZ3 4.1Å; L64-W105 HydrophobicContact CD2-CZ3 4.47Å |
| 65 | A | 94.2 | Very high | 93.1 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -53.3 | -50.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | A61 T63 A69 F210 A213 | A61-A65 PolarHBondContact O-N 3.21Å; T63-A65 PolarHBondContact O-N 3.09Å; A65-A69 WeakPolarHBondContact O-CB 3.19Å; A65-A69 PolarHBondContact O-N 3.32Å; A65-F210 HydrophobicContact CB-CD1 3.88Å; A65-F210 HydrophobicContact CB-CE1 3.83Å; A65-A213 HydrophobicContact CB-CB 3.97Å |
| 66 | L | 95.1 | Very high | 93.5 | Very high | 28 Ų | 28 | 38 Ų | 38 | 15% | 0.147 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67 | -41 | 178.9 | -174.8 | 68.9 | 0 | 0 | 0 | 112.1 | P62 T63 L64 I68 A69 L70 L209 M212 | P62-L66 PolarHBondContact O-N 2.91Å; T63-L66 PolarHBondContact O-N 2.9Å; L64-L66 PolarHBondContact O-N 3.44Å; L66-I68 VanDerWaalsContact C-N 3.34Å; L66-I68 PolarHBondContact O-N 3.34Å; L66-A69 PolarHBondContact O-N 3.26Å; L66-L70 HydrophobicContact CD1-CD1 4.47Å; L66-L70 HydrophobicContact CD1-CG 4.49Å; L66-L70 HydrophobicContact CG-CD1 4.12Å; L66-L70 WeakPolarHBondContact O-CG 3.44Å; L66-L70 PolarHBondContact O-N 3.04Å; L66-L209 HydrophobicContact CD2-CD2 3.6Å; L66-M212 HydrophobicContact CD1-CB 4.07Å |
| 67 | T | 95.9 | Very high | 93.6 | Very high | 71 Ų | 71 | 32.9 Ų | 32.9 | 44% | 0.436 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.9 | -43 | 179.5 | 55.1 | 0 | 0 | 0 | 0 | 112 | T63 L64 L70 L71 | T63-T67 VanDerWaalsContact O-CG2 3.28Å; T63-T67 WeakPolarHBondContact O-CG2 3.48Å; T63-T67 PolarHBondContact O-N 3.11Å; T63-T67 PolarHBondContact O-OG1 3.08Å; L64-T67 WeakPolarHBondContact CA-OG1 3.34Å; L64-T67 PolarHBondContact O-N 3.33Å; L64-T67 VanDerWaalsContact O-N 3.16Å; L64-T67 PolarHBondContact O-OG1 3.08Å; T67-L70 PolarHBondContact O-N 2.81Å; T67-L71 VanDerWaalsContact O-CG 3.28Å; T67-L71 WeakPolarHBondContact O-CG 3.45Å; T67-L71 PolarHBondContact O-N 3.14Å |
| 68 | I | 95.6 | Very high | 93.4 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66 | -45.4 | 178.3 | -65.2 | 167.5 | 0 | 0 | 0 | 110 | L64 L66 L70 L71 L72 T95 L98 A99 | L64-I68 HydrophobicContact CD2-CD1 3.5Å; L64-I68 HydrophobicContact CG-CD1 3.7Å; L64-I68 HydrophobicContact CG-CG1 4.39Å; L64-I68 VanDerWaalsContact O-CG1 3.31Å; L64-I68 WeakPolarHBondContact O-CG1 3.4Å; L64-I68 PolarHBondContact O-N 3.41Å; L66-I68 VanDerWaalsContact C-N 3.34Å; L66-I68 PolarHBondContact O-N 3.34Å; I68-L70 PolarHBondContact O-N 3.22Å; I68-L71 PolarHBondContact O-N 3.42Å; I68-L71 VanDerWaalsContact O-N 3.11Å; I68-L72 HydrophobicContact CG2-CD1 4.1Å; I68-L72 PolarHBondContact O-N 2.98Å; I68-L72 VanDerWaalsContact O-N 3.11Å; I68-T95 VanDerWaalsContact CG2-O 3.24Å; I68-T95 WeakPolarHBondContact CG2-O 3.47Å; I68-L98 HydrophobicContact CD1-CB 4.08Å; I68-L98 HydrophobicContact CD1-CD2 3.85Å; I68-L98 HydrophobicContact CD1-CG 3.74Å; I68-L98 HydrophobicContact CG1-CD2 4.05Å; I68-L98 HydrophobicContact CG1-CG 4.46Å; I68-A99 HydrophobicContact CG2-CB 3.97Å |
| 69 | A | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.9 | -31.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | A65 L66 W73 A213 T216 N217 | A65-A69 WeakPolarHBondContact O-CB 3.19Å; A65-A69 PolarHBondContact O-N 3.32Å; L66-A69 PolarHBondContact O-N 3.26Å; A69-W73 PolarHBondContact O-NE1 3.46Å; A69-A213 HydrophobicContact CB-CB 4.09Å; A69-T216 VanDerWaalsContact CB-OG1 3.25Å; A69-T216 WeakPolarHBondContact CB-OG1 3.22Å; A69-N217 WeakPolarHBondContact CA-OD1 3.27Å; A69-N217 WeakPolarHBondContact CB-OD1 3.25Å |
| 70 | L | 95.1 | Very high | 93.3 | Very high | 78 Ų | 78 | 36 Ų | 36 | 41% | 0.408 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -80.6 | -36.7 | 174 | -67.9 | 173.2 | 0 | 0 | 0 | 112.9 | L66 T67 I68 L72 W73 | L66-L70 HydrophobicContact CD1-CD1 4.47Å; L66-L70 HydrophobicContact CD1-CG 4.49Å; L66-L70 HydrophobicContact CG-CD1 4.12Å; L66-L70 WeakPolarHBondContact O-CG 3.44Å; L66-L70 PolarHBondContact O-N 3.04Å; T67-L70 PolarHBondContact O-N 2.81Å; I68-L70 PolarHBondContact O-N 3.22Å; L70-L72 VanDerWaalsContact C-N 3.27Å; L70-L72 PolarHBondContact O-N 2.92Å; L70-W73 WeakPolarHBondContact O-CB 3.22Å; L70-W73 PolarHBondContact O-N 3.13Å |
| 71 | L | 95.7 | Very high | 93.4 | Very high | 84 Ų | 84 | 34.4 Ų | 34.4 | 44% | 0.44 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.1 | -34.9 | 178 | -77.6 | 169.2 | 0 | 0 | 0 | 112.5 | T67 I68 W73 T74 | T67-L71 VanDerWaalsContact O-CG 3.28Å; T67-L71 WeakPolarHBondContact O-CG 3.45Å; T67-L71 PolarHBondContact O-N 3.14Å; I68-L71 PolarHBondContact O-N 3.42Å; I68-L71 VanDerWaalsContact O-N 3.11Å; L71-W73 PolarHBondContact O-N 2.9Å; L71-T74 WeakPolarHBondContact O-CB 3.31Å; L71-T74 WeakPolarHBondContact O-CG2 3.22Å; L71-T74 PolarHBondContact O-N 3.37Å; L71-T74 PolarHBondContact O-OG1 3.13Å |
| 72 | L | 95.4 | Very high | 93.4 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -19.1 | 176.6 | -79.6 | 156.8 | 0 | 0 | 0 | 113.8 | I68 L70 P75 I92 T95 M220 | I68-L72 HydrophobicContact CG2-CD1 4.1Å; I68-L72 PolarHBondContact O-N 2.98Å; I68-L72 VanDerWaalsContact O-N 3.11Å; L70-L72 VanDerWaalsContact C-N 3.27Å; L70-L72 PolarHBondContact O-N 2.92Å; L72-P75 WeakPolarHBondContact O-CD 3.41Å; L72-I92 HydrophobicContact CD2-CB 4.3Å; L72-I92 HydrophobicContact CD2-CG1 4.49Å; L72-I92 HydrophobicContact CD2-CG2 3.77Å; L72-T95 WeakPolarHBondContact CD2-OG1 3.45Å; L72-M220 HydrophobicContact CB-CE 3.9Å; L72-M220 HydrophobicContact CB-CG 3.87Å; L72-M220 HydrophobicContact CB-SD 3.98Å; L72-M220 HydrophobicContact CD1-CE 3.56Å; L72-M220 HydrophobicContact CD2-CE 4.03Å; L72-M220 HydrophobicContact CD2-SD 4.27Å; L72-M220 HydrophobicContact CG-CE 4.03Å |
| 73 | W | 95.3 | Very high | 93.5 | Very high | 75 Ų | 75 | 44.3 Ų | 44.3 | 28% | 0.284 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -19 | 177.4 | -69.3 | 76.2 | 0 | 0 | 0 | 114.3 | A69 L70 L71 L76 M78 I219 M220 T223 | A69-W73 PolarHBondContact O-NE1 3.46Å; L70-W73 WeakPolarHBondContact O-CB 3.22Å; L70-W73 PolarHBondContact O-N 3.13Å; L71-W73 PolarHBondContact O-N 2.9Å; W73-L76 HydrophobicContact CD2-CD1 4.32Å; W73-L76 HydrophobicContact CE3-CD1 4.07Å; W73-L76 PolarHBondContact O-N 2.61Å; W73-M78 HydrophobicContact CE3-CE 4.2Å; W73-M78 HydrophobicContact CZ3-CE 3.71Å; W73-I219 HydrophobicContact CH2-CB 4.08Å; W73-I219 HydrophobicContact CH2-CG2 3.54Å; W73-I219 HydrophobicContact CZ2-CB 3.98Å; W73-I219 HydrophobicContact CZ2-CG2 3.99Å; W73-M220 HydrophobicContact CZ2-CB 3.99Å; W73-T223 HydrophobicContact CH2-CG2 4.24Å; W73-T223 HydrophobicContact CZ3-CG2 4.29Å |
| 74 | T | 94.1 | Very high | 93.5 | Very high | 33 Ų | 33 | 46 Ų | 46 | 20% | 0.202 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -38.9 | -171.7 | 59 | 0 | 0 | 0 | 0 | 115.1 | L71 L82 V83 | L71-T74 WeakPolarHBondContact O-CB 3.31Å; L71-T74 WeakPolarHBondContact O-CG2 3.22Å; L71-T74 PolarHBondContact O-N 3.37Å; L71-T74 PolarHBondContact O-OG1 3.13Å; T74-L82 PolarHBondContact O-N 3.24Å; T74-V83 PolarHBondContact O-N 3.39Å |
| 75 | P | 94.6 | Very high | 93.4 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.032 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -5 | -179.6 | 40.4 | -40.5 | 0 | 0 | 0 | 113.4 | L72 P77 P81 L85 F91 I92 L149 | L72-P75 WeakPolarHBondContact O-CD 3.41Å; P75-P77 WeakPolarHBondContact O-CD 3.42Å; P75-P81 WeakPolarHBondContact O-CB 3.37Å; P75-L85 HydrophobicContact CB-CD1 4.38Å; P75-F91 HydrophobicContact CG-CD1 3.93Å; P75-F91 HydrophobicContact CG-CE1 4.28Å; P75-I92 HydrophobicContact CG-CD1 3.85Å; P75-I92 HydrophobicContact CG-CG1 3.69Å; P75-L149 HydrophobicContact CB-CD1 3.97Å; P75-L149 HydrophobicContact CG-CD1 4.14Å; P75-L149 VanDerWaalsContact O-CD1 3.25Å; P75-L149 WeakPolarHBondContact O-CD1 3.33Å |
| 76 | L | 93.8 | Very high | 93.4 | Very high | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | trans | -69.1 | 125.5 | -176.1 | -73.3 | 176.2 | 0 | 0 | 0 | 110.9 | W73 M78 P81 I92 M220 T223 L224 | W73-L76 HydrophobicContact CD2-CD1 4.32Å; W73-L76 HydrophobicContact CE3-CD1 4.07Å; W73-L76 PolarHBondContact O-N 2.61Å; L76-M78 PolarHBondContact O-N 3.36Å; L76-P81 WeakPolarHBondContact O-CA 3.44Å; L76-I92 HydrophobicContact CD2-CD1 4.26Å; L76-M220 HydrophobicContact CD1-CG 4.16Å; L76-T223 VanDerWaalsContact CD1-OG1 3.22Å; L76-T223 WeakPolarHBondContact CD1-OG1 3.43Å; L76-L224 HydrophobicContact CD2-CB 4.44Å; L76-L224 HydrophobicContact CD2-CD1 4.33Å | ||
| 77 | P | 90.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -81.5 | 120.2 | -178.2 | 32.9 | -35.6 | 0 | 0 | 0 | 110.9 | P75 P79 L149 I153 T227 | P75-P77 WeakPolarHBondContact O-CD 3.42Å; P77-P79 WeakPolarHBondContact CB-O 3.41Å; P77-L149 HydrophobicContact CG-CB 3.93Å; P77-I153 HydrophobicContact CB-CD1 3.76Å; P77-I153 HydrophobicContact CG-CD1 3.98Å; P77-I153 HydrophobicContact CG-CG1 4.5Å; P77-T227 HydrophobicContact CG-CG2 4.08Å | ||
| 78 | M | 86.8 | Confident | 93.3 | Very high | 64 Ų | 64 | 51.9 Ų | 51.9 | 32% | 0.315 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -137.2 | 85.2 | 170.3 | -65.3 | -156.8 | -150.2 | 0 | 0 | 112.4 | W73 L76 N80 T223 F246 | W73-M78 HydrophobicContact CE3-CE 4.2Å; W73-M78 HydrophobicContact CZ3-CE 3.71Å; L76-M78 PolarHBondContact O-N 3.36Å; M78-N80 PolarHBondContact N-O 2.68Å; M78-T223 HydrophobicContact CE-CG2 4.18Å; M78-F246 HydrophobicContact CE-CD1 4.38Å; M78-F246 HydrophobicContact CE-CE1 3.7Å; M78-F246 HydrophobicContact CG-CD1 3.94Å; M78-F246 HydrophobicContact CG-CE1 3.75Å; M78-F246 HydrophobicContact SD-CD1 3.86Å; M78-F246 HydrophobicContact SD-CE1 3.76Å |
| 79 | P | 85.7 | Confident | 93.2 | Very high | 13 Ų | 13 | 51.8 Ų | 51.8 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | S | Bend | cis | -60.6 | -21.2 | -41.8 | 27.2 | -35.1 | 0 | 0 | 0 | 113.2 | P77 Y234 P239 Y242 T243 | P77-P79 WeakPolarHBondContact CB-O 3.41Å; P79-Y234 HydrophobicContact CB-CD2 3.61Å; P79-Y234 HydrophobicContact CB-CE2 3.6Å; P79-Y234 HydrophobicContact CG-CD2 4.16Å; P79-Y234 HydrophobicContact CG-CE2 3.72Å; P79-P239 HydrophobicContact CG-CB 3.88Å; P79-Y242 HydrophobicContact CB-CD1 3.51Å; P79-Y242 HydrophobicContact CB-CD2 4.38Å; P79-Y242 HydrophobicContact CB-CE1 3.97Å; P79-Y242 HydrophobicContact CB-CG 3.78Å; P79-Y242 HydrophobicContact CG-CD1 4.29Å; P79-T243 VanDerWaalsContact CD-CG2 3.45Å |
| 80 | N | 90.1 | Very high | 93.2 | Very high | 117 Ų | 117 | 55.3 Ų | 55.3 | 63% | 0.626 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -96.7 | 132.8 | 175.3 | -65.7 | -30.7 | 0 | 0 | 0 | 109.1 | M78 | M78-N80 PolarHBondContact N-O 2.68Š|
| 81 | P | 93.8 | Very high | 93.2 | Very high | 23 Ų | 23 | 54.6 Ų | 54.6 | 15% | 0.149 | 29% | 0.286 | C | S | . | . | trans | -72.8 | 155.1 | 175 | 32 | -35.7 | 0 | 0 | 0 | 110.9 | P75 L76 V83 N84 | P75-P81 WeakPolarHBondContact O-CB 3.37Å; L76-P81 WeakPolarHBondContact O-CA 3.44Å; P81-V83 VanDerWaalsContact C-N 3.35Å; P81-N84 HydrophobicContact CG-CB 3.85Å | ||
| 82 | L | 94.3 | Very high | 93.1 | Very high | 146 Ų | 146 | 50.9 Ų | 50.9 | 76% | 0.764 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -66.9 | -40.1 | 175.4 | -171.7 | 142.8 | 0 | 0 | 0 | 111 | T74 | T74-L82 PolarHBondContact O-N 3.24Š|
| 83 | V | 93.9 | Very high | 93.1 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 38% | 0.382 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -124.1 | 114 | 167.8 | -172.9 | 0 | 0 | 0 | 0 | 108.8 | T74 P81 L85 | T74-V83 PolarHBondContact O-N 3.39Å; P81-V83 VanDerWaalsContact C-N 3.35Å; V83-L85 HydrophobicContact CG1-CD2 3.64Å; V83-L85 HydrophobicContact CG1-CG 3.91Å; V83-L85 PolarHBondContact O-N 2.97Å |
| 84 | N | 93.3 | Very high | 93 | Very high | 103 Ų | 103 | 51.2 Ų | 51.2 | 55% | 0.551 | 28% | 0.281 | S | S | * | . | trans | -78 | 101.7 | 174.2 | -169 | -0.9 | 0 | 0 | 0 | 110 | P81 N148 | P81-N84 HydrophobicContact CG-CB 3.85Å; N84-N148 PolarHBondContact OD1-ND2 3.05Å; N84-N148 PolarHBondContact OD1-OD1 3.4Å | ||
| 85 | L | 94 | Very high | 93 | Very high | 53 Ų | 53 | 50.4 Ų | 50.4 | 28% | 0.277 | 28% | 0.276 | S | S | . | . | trans | -101.2 | 131.5 | 177.9 | -63.2 | 177.6 | 0 | 0 | 0 | 110.3 | P75 V83 L87 G88 F91 | P75-L85 HydrophobicContact CB-CD1 4.38Å; V83-L85 HydrophobicContact CG1-CD2 3.64Å; V83-L85 HydrophobicContact CG1-CG 3.91Å; V83-L85 PolarHBondContact O-N 2.97Å; L85-L87 PolarHBondContact O-N 2.68Å; L85-G88 PolarHBondContact O-N 2.72Å; L85-F91 HydrophobicContact CD1-CB 3.98Å; L85-F91 HydrophobicContact CD1-CD1 4.16Å; L85-F91 HydrophobicContact CD1-CD2 4.11Å; L85-F91 HydrophobicContact CD1-CG 3.81Å | ||
| 86 | N | 93.9 | Very high | 92.9 | Very high | 121 Ų | 121 | 50.4 Ų | 50.4 | 65% | 0.647 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -34 | 173.8 | -167.2 | 17.7 | 0 | 0 | 0 | 112 | F147 N148 | N86-F147 CarbonylContact O-C 2.85Å; N86-N148 PolarHBondContact O-N 3.26Å |
| 87 | L | 94.6 | Very high | 92.8 | Very high | 95 Ų | 95 | 52.3 Ų | 52.3 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 43.9 | 177.4 | -55.8 | 180 | 0 | 0 | 0 | 111.4 | L85 L89 L90 F91 F147 | L85-L87 PolarHBondContact O-N 2.68Å; L87-L89 PolarHBondContact O-N 3.05Å; L87-L90 HydrophobicContact CB-CB 4.32Å; L87-L90 HydrophobicContact CB-CD1 4.23Å; L87-L90 HydrophobicContact CD1-CD1 4.38Å; L87-L90 HydrophobicContact CD2-CD1 4.09Å; L87-L90 HydrophobicContact CG-CD1 4.45Å; L87-L90 PolarHBondContact O-N 3.28Å; L87-F91 PolarHBondContact O-N 3.41Å; L87-F147 HydrophobicContact CD2-CB 4.11Å; L87-F147 HydrophobicContact CD2-CD2 4.15Å; L87-F147 HydrophobicContact CD2-CG 4.4Å |
| 88 | G | 94.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.8 | -42.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L85 F91 I92 F147 | L85-G88 PolarHBondContact O-N 2.72Å; G88-F91 WeakPolarHBondContact O-CB 3.22Å; G88-F91 PolarHBondContact O-N 3.29Å; G88-I92 WeakPolarHBondContact O-CG1 3.3Å; G88-I92 PolarHBondContact O-N 2.64Å; G88-I92 VanDerWaalsContact O-N 3.11Å; G88-F147 PolarHBondContact N-O 2.85Å |
| 89 | L | 93.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.5 | -38.1 | 178.5 | -84.3 | 163.3 | 0 | 0 | 0 | 113.7 | L87 F91 I92 L93 L137 L141 F147 L149 L152 L224 | L87-L89 PolarHBondContact O-N 3.05Å; L89-F91 VanDerWaalsContact C-N 3.28Å; L89-F91 PolarHBondContact O-N 2.79Å; L89-I92 PolarHBondContact O-N 3.37Å; L89-L93 PolarHBondContact O-N 2.78Å; L89-L137 HydrophobicContact CD1-CD2 4.36Å; L89-L137 HydrophobicContact CD2-CD2 3.63Å; L89-L141 HydrophobicContact CD1-CD1 3.94Å; L89-L141 HydrophobicContact CD1-CD2 3.2Å; L89-L141 HydrophobicContact CD1-CG 3.98Å; L89-F147 PolarHBondContact N-O 2.82Å; L89-F147 VanDerWaalsContact N-O 3.08Å; L89-L149 HydrophobicContact CD1-CD2 4.2Å; L89-L149 HydrophobicContact CD2-CD2 3.68Å; L89-L149 HydrophobicContact CD2-CG 4.46Å; L89-L149 HydrophobicContact CG-CD2 3.69Å; L89-L149 HydrophobicContact CG-CG 4.05Å; L89-L152 HydrophobicContact CD1-CD1 3.75Å; L89-L224 HydrophobicContact CD2-CD1 4.3Å |
| 90 | L | 94.1 | Very high | 93.5 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 39% | 0.393 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.4 | -35 | 174.4 | -72.6 | 167.4 | 0 | 0 | 0 | 111.3 | L87 L93 A94 F147 | L87-L90 HydrophobicContact CB-CB 4.32Å; L87-L90 HydrophobicContact CB-CD1 4.23Å; L87-L90 HydrophobicContact CD1-CD1 4.38Å; L87-L90 HydrophobicContact CD2-CD1 4.09Å; L87-L90 HydrophobicContact CG-CD1 4.45Å; L87-L90 PolarHBondContact O-N 3.28Å; L90-L93 PolarHBondContact O-N 3.29Å; L90-A94 WeakPolarHBondContact O-CB 3.45Å; L90-A94 PolarHBondContact O-N 2.95Å; L90-F147 HydrophobicContact CD1-CD1 4.05Å; L90-F147 HydrophobicContact CD1-CD2 4.34Å; L90-F147 HydrophobicContact CD1-CE1 4.2Å; L90-F147 HydrophobicContact CD1-CE2 4.49Å; L90-F147 HydrophobicContact CD1-CG 4.13Å; L90-F147 HydrophobicContact CD1-CZ 4.43Å; L90-F147 HydrophobicContact CD2-CE1 4.3Å; L90-F147 HydrophobicContact CG-CD1 3.85Å; L90-F147 HydrophobicContact CG-CE1 4.08Å; L90-F147 HydrophobicContact CG-CG 4.34Å |
| 91 | F | 95.4 | Very high | 93.6 | Very high | 63 Ų | 63 | 54.1 Ų | 54.1 | 28% | 0.276 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 172 | 173 | -92 | 0 | 0 | 0 | 111.1 | P75 L85 L87 G88 L89 L93 A94 T95 | P75-F91 HydrophobicContact CG-CD1 3.93Å; P75-F91 HydrophobicContact CG-CE1 4.28Å; L85-F91 HydrophobicContact CD1-CB 3.98Å; L85-F91 HydrophobicContact CD1-CD1 4.16Å; L85-F91 HydrophobicContact CD1-CD2 4.11Å; L85-F91 HydrophobicContact CD1-CG 3.81Å; L87-F91 PolarHBondContact O-N 3.41Å; G88-F91 WeakPolarHBondContact O-CB 3.22Å; G88-F91 PolarHBondContact O-N 3.29Å; L89-F91 VanDerWaalsContact C-N 3.28Å; L89-F91 PolarHBondContact O-N 2.79Å; F91-L93 PolarHBondContact O-N 3.35Å; F91-A94 PolarHBondContact O-N 3.44Å; F91-T95 HydrophobicContact CD1-CG2 4.34Å; F91-T95 HydrophobicContact CD2-CG2 4.26Å; F91-T95 HydrophobicContact CE1-CG2 3.92Å; F91-T95 HydrophobicContact CE2-CG2 3.83Å; F91-T95 HydrophobicContact CZ-CG2 3.65Å; F91-T95 WeakPolarHBondContact O-CG2 3.44Å; F91-T95 PolarHBondContact O-N 2.65Å; F91-T95 PolarHBondContact O-OG1 3.44Å |
| 92 | I | 94.8 | Very high | 93.6 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.1 | -50.6 | 177.2 | -68.1 | -179.1 | 0 | 0 | 0 | 110.7 | L72 P75 L76 G88 L89 A94 T95 S96 L149 L224 | L72-I92 HydrophobicContact CD2-CB 4.3Å; L72-I92 HydrophobicContact CD2-CG1 4.49Å; L72-I92 HydrophobicContact CD2-CG2 3.77Å; P75-I92 HydrophobicContact CG-CD1 3.85Å; P75-I92 HydrophobicContact CG-CG1 3.69Å; L76-I92 HydrophobicContact CD2-CD1 4.26Å; G88-I92 WeakPolarHBondContact O-CG1 3.3Å; G88-I92 PolarHBondContact O-N 2.64Å; G88-I92 VanDerWaalsContact O-N 3.11Å; L89-I92 PolarHBondContact O-N 3.37Å; I92-A94 VanDerWaalsContact C-N 3.33Å; I92-A94 PolarHBondContact O-N 3.22Å; I92-T95 WeakPolarHBondContact CA-OG1 3.49Å; I92-T95 PolarHBondContact O-N 3Å; I92-T95 VanDerWaalsContact O-N 3.16Å; I92-T95 PolarHBondContact O-OG1 2.98Å; I92-S96 PolarHBondContact O-N 2.86Å; I92-S96 PolarHBondContact O-OG 3.03Å; I92-L149 HydrophobicContact CD1-CD1 3.7Å; I92-L224 HydrophobicContact CB-CD1 4.46Å; I92-L224 HydrophobicContact CD1-CD1 3.23Å; I92-L224 HydrophobicContact CG1-CD1 4.39Å; I92-L224 HydrophobicContact CG2-CD1 3.79Å |
| 93 | L | 93.6 | Very high | 93.4 | Very high | 29 Ų | 29 | 47.2 Ų | 47.2 | 15% | 0.152 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.6 | -40.7 | 176.8 | -75.3 | 173.6 | 0 | 0 | 0 | 113 | L89 L90 F91 S96 S97 L133 A134 L137 | L89-L93 PolarHBondContact O-N 2.78Å; L90-L93 PolarHBondContact O-N 3.29Å; F91-L93 PolarHBondContact O-N 3.35Å; L93-S96 WeakPolarHBondContact CA-OG 3.49Å; L93-S96 PolarHBondContact O-OG 2.83Å; L93-S97 PolarHBondContact O-N 3.06Å; L93-L133 HydrophobicContact CD2-CD2 3.49Å; L93-L133 VanDerWaalsContact CD2-CD2 3.49Å; L93-L133 HydrophobicContact CD2-CG 4.39Å; L93-A134 HydrophobicContact CD1-CB 4.35Å; L93-A134 HydrophobicContact CD2-CB 4.44Å; L93-L137 HydrophobicContact CD1-CD1 3.94Å; L93-L137 HydrophobicContact CD2-CD1 3.76Å; L93-L137 HydrophobicContact CG-CD1 3.91Å |
| 94 | A | 94.4 | Very high | 93.4 | Very high | 56 Ų | 56 | 47 Ų | 47 | 46% | 0.463 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.7 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L90 F91 I92 S97 L98 | L90-A94 WeakPolarHBondContact O-CB 3.45Å; L90-A94 PolarHBondContact O-N 2.95Å; F91-A94 PolarHBondContact O-N 3.44Å; I92-A94 VanDerWaalsContact C-N 3.33Å; I92-A94 PolarHBondContact O-N 3.22Å; A94-S97 PolarHBondContact O-N 3.02Å; A94-S97 PolarHBondContact O-OG 3.1Å; A94-L98 PolarHBondContact O-N 3.48Å |
| 95 | T | 94.3 | Very high | 93.4 | Very high | 16 Ų | 16 | 46.4 Ų | 46.4 | 10% | 0.098 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -74 | -30.9 | 179.5 | 53.7 | 0 | 0 | 0 | 0 | 113.6 | I68 L72 F91 I92 L98 A99 | I68-T95 VanDerWaalsContact CG2-O 3.24Å; I68-T95 WeakPolarHBondContact CG2-O 3.47Å; L72-T95 WeakPolarHBondContact CD2-OG1 3.45Å; F91-T95 HydrophobicContact CD1-CG2 4.34Å; F91-T95 HydrophobicContact CD2-CG2 4.26Å; F91-T95 HydrophobicContact CE1-CG2 3.92Å; F91-T95 HydrophobicContact CE2-CG2 3.83Å; F91-T95 HydrophobicContact CZ-CG2 3.65Å; F91-T95 WeakPolarHBondContact O-CG2 3.44Å; F91-T95 PolarHBondContact O-N 2.65Å; F91-T95 PolarHBondContact O-OG1 3.44Å; I92-T95 WeakPolarHBondContact CA-OG1 3.49Å; I92-T95 PolarHBondContact O-N 3Å; I92-T95 VanDerWaalsContact O-N 3.16Å; I92-T95 PolarHBondContact O-OG1 2.98Å; T95-L98 WeakPolarHBondContact O-CB 3.39Å; T95-L98 PolarHBondContact O-N 3.49Å; T95-A99 PolarHBondContact O-N 3.41Å |
| 96 | S | 91.5 | Very high | 93.2 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.6 | -43.8 | 171 | 54.9 | 0 | 0 | 0 | 0 | 110.8 | I92 L93 L98 A99 E130 E179 | I92-S96 PolarHBondContact O-N 2.86Å; I92-S96 PolarHBondContact O-OG 3.03Å; L93-S96 WeakPolarHBondContact CA-OG 3.49Å; L93-S96 PolarHBondContact O-OG 2.83Å; S96-L98 PolarHBondContact O-N 2.84Å; S96-A99 WeakPolarHBondContact O-CB 3.39Å; S96-A99 PolarHBondContact O-N 3.38Å; S96-E130 PolarHBondContact OG-OE1 2.8Å; S96-E179 WeakPolarHBondContact CB-OE1 3.48Å |
| 97 | S | 91.3 | Very high | 93 | Very high | 47 Ų | 47 | 38.1 Ų | 38.1 | 33% | 0.329 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61 | -31.3 | 177.4 | 77.5 | 0 | 0 | 0 | 0 | 112.3 | L93 A94 A99 V100 E130 | L93-S97 PolarHBondContact O-N 3.06Å; A94-S97 PolarHBondContact O-N 3.02Å; A94-S97 PolarHBondContact O-OG 3.1Å; S97-A99 VanDerWaalsContact C-N 3.33Å; S97-A99 PolarHBondContact O-N 3.32Å; S97-V100 WeakPolarHBondContact O-CB 3.48Å; S97-V100 WeakPolarHBondContact O-CG2 3.42Å; S97-V100 PolarHBondContact O-N 3.11Å; S97-E130 WeakPolarHBondContact CA-OE1 3.31Å; S97-E130 WeakPolarHBondContact CB-OE1 3.48Å; S97-E130 WeakPolarHBondContact CB-OE2 3.19Å; S97-E130 PolarHBondContact N-OE1 2.97Å |
| 98 | L | 93.3 | Very high | 92.9 | Very high | 78 Ų | 78 | 40.7 Ų | 40.7 | 41% | 0.408 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -70.6 | -28.9 | 176.4 | -165.4 | 72.6 | 0 | 0 | 0 | 112.2 | I68 A94 T95 S96 V100 Y101 | I68-L98 HydrophobicContact CD1-CB 4.08Å; I68-L98 HydrophobicContact CD1-CD2 3.85Å; I68-L98 HydrophobicContact CD1-CG 3.74Å; I68-L98 HydrophobicContact CG1-CD2 4.05Å; I68-L98 HydrophobicContact CG1-CG 4.46Å; A94-L98 PolarHBondContact O-N 3.48Å; T95-L98 WeakPolarHBondContact O-CB 3.39Å; T95-L98 PolarHBondContact O-N 3.49Å; S96-L98 PolarHBondContact O-N 2.84Å; L98-V100 PolarHBondContact O-N 3.11Å; L98-Y101 HydrophobicContact CD1-CD2 3.81Å; L98-Y101 HydrophobicContact CD1-CE2 4.14Å; L98-Y101 HydrophobicContact CG-CD2 4.48Å; L98-Y101 PolarHBondContact O-N 2.94Å; L98-Y101 VanDerWaalsContact O-N 3.16Å |
| 99 | A | 91.6 | Very high | 92.7 | Very high | 19 Ų | 19 | 40.7 Ų | 40.7 | 16% | 0.157 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.2 | -30 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I68 T95 S96 S97 Y101 S102 | I68-A99 HydrophobicContact CG2-CB 3.97Å; T95-A99 PolarHBondContact O-N 3.41Å; S96-A99 WeakPolarHBondContact O-CB 3.39Å; S96-A99 PolarHBondContact O-N 3.38Å; S97-A99 VanDerWaalsContact C-N 3.33Å; S97-A99 PolarHBondContact O-N 3.32Å; A99-Y101 PolarHBondContact O-N 2.79Å; A99-S102 WeakPolarHBondContact O-CB 3.2Å; A99-S102 PolarHBondContact O-N 3.41Å; A99-S102 PolarHBondContact O-OG 3.23Å |
| 100 | V | 92.9 | Very high | 92.3 | Very high | 14 Ų | 14 | 40.6 Ų | 40.6 | 9% | 0.085 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.5 | -34.9 | 177.8 | -174.5 | 0 | 0 | 0 | 0 | 112 | S97 L98 S102 I103 L104 V123 T126 I127 | S97-V100 WeakPolarHBondContact O-CB 3.48Å; S97-V100 WeakPolarHBondContact O-CG2 3.42Å; S97-V100 PolarHBondContact O-N 3.11Å; L98-V100 PolarHBondContact O-N 3.11Å; V100-S102 VanDerWaalsContact C-N 3.31Å; V100-S102 PolarHBondContact O-N 2.95Å; V100-I103 PolarHBondContact O-N 2.99Å; V100-L104 PolarHBondContact O-N 3.49Å; V100-V123 HydrophobicContact CG1-CB 4.05Å; V100-V123 HydrophobicContact CG1-CG1 3.66Å; V100-V123 HydrophobicContact CG1-CG2 3.78Å; V100-T126 WeakPolarHBondContact CG2-OG1 3.48Å; V100-I127 HydrophobicContact CG1-CD1 4.45Å; V100-I127 HydrophobicContact CG1-CG1 4.36Å |
| 101 | Y | 93.1 | Very high | 92.1 | Very high | 121 Ų | 121 | 42.2 Ų | 42.2 | 48% | 0.475 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.6 | -33 | 177 | -67.7 | -74.4 | 0 | 0 | 0 | 112.8 | L98 A99 I103 L104 W105 | L98-Y101 HydrophobicContact CD1-CD2 3.81Å; L98-Y101 HydrophobicContact CD1-CE2 4.14Å; L98-Y101 HydrophobicContact CG-CD2 4.48Å; L98-Y101 PolarHBondContact O-N 2.94Å; L98-Y101 VanDerWaalsContact O-N 3.16Å; A99-Y101 PolarHBondContact O-N 2.79Å; Y101-I103 VanDerWaalsContact C-N 3.29Å; Y101-I103 PolarHBondContact O-N 3.12Å; Y101-L104 PolarHBondContact O-N 3.2Å; Y101-W105 VanDerWaalsContact O-CB 3.31Å; Y101-W105 WeakPolarHBondContact O-CB 3.29Å; Y101-W105 VanDerWaalsContact O-CG 3.23Å; Y101-W105 PolarHBondContact O-N 3.03Å |
| 102 | S | 92.8 | Very high | 91.7 | Very high | 6 Ų | 6 | 40.5 Ų | 40.5 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.3 | -40.8 | 176.2 | 71.7 | 0 | 0 | 0 | 0 | 111.5 | A99 V100 S106 | A99-S102 WeakPolarHBondContact O-CB 3.2Å; A99-S102 PolarHBondContact O-N 3.41Å; A99-S102 PolarHBondContact O-OG 3.23Å; V100-S102 VanDerWaalsContact C-N 3.31Å; V100-S102 PolarHBondContact O-N 2.95Å; S102-S106 VanDerWaalsContact O-CB 3.29Å; S102-S106 WeakPolarHBondContact O-CB 3.32Å; S102-S106 PolarHBondContact O-N 3.47Å; S102-S106 PolarHBondContact O-OG 3.21Å |
| 103 | I | 91.3 | Very high | 91.3 | Very high | 19 Ų | 19 | 46.4 Ų | 46.4 | 10% | 0.097 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.1 | -47.5 | 179.2 | -57.4 | 170.7 | 0 | 0 | 0 | 109.4 | V100 Y101 W105 S106 G107 A119 A122 V123 T126 F198 | V100-I103 PolarHBondContact O-N 2.99Å; Y101-I103 VanDerWaalsContact C-N 3.29Å; Y101-I103 PolarHBondContact O-N 3.12Å; I103-W105 PolarHBondContact O-N 3.01Å; I103-S106 PolarHBondContact O-N 3.11Å; I103-S106 PolarHBondContact O-OG 3.12Å; I103-G107 PolarHBondContact O-N 3.3Å; I103-G107 VanDerWaalsContact O-N 3.16Å; I103-A119 HydrophobicContact CG2-CB 4.41Å; I103-A122 HydrophobicContact CG2-CB 3.83Å; I103-V123 HydrophobicContact CG2-CG2 4.42Å; I103-T126 HydrophobicContact CD1-CG2 4.45Å; I103-F198 HydrophobicContact CG2-CB 4.42Å; I103-F198 HydrophobicContact CG2-CD1 4.01Å; I103-F198 HydrophobicContact CG2-CD2 4.44Å; I103-F198 HydrophobicContact CG2-CE1 4.38Å; I103-F198 HydrophobicContact CG2-CG 4.04Å |
| 104 | L | 92.9 | Very high | 91.1 | Very high | 57 Ų | 57 | 52.4 Ų | 52.4 | 30% | 0.298 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61 | -48.4 | 179.6 | -175.9 | 67.2 | 0 | 0 | 0 | 112.3 | V100 Y101 S106 G107 W108 L120 V123 | V100-L104 PolarHBondContact O-N 3.49Å; Y101-L104 PolarHBondContact O-N 3.2Å; L104-S106 VanDerWaalsContact C-N 3.27Å; L104-S106 PolarHBondContact O-N 2.91Å; L104-G107 PolarHBondContact O-N 3.18Å; L104-W108 WeakPolarHBondContact O-CB 3.31Å; L104-W108 PolarHBondContact O-N 2.67Å; L104-L120 HydrophobicContact CD1-CD2 4.22Å; L104-V123 HydrophobicContact CB-CG2 3.97Å; L104-V123 HydrophobicContact CD1-CG2 4.27Å |
| 105 | W | 93.2 | Very high | 90.7 | Very high | 91 Ų | 91 | 49.7 Ų | 49.7 | 35% | 0.345 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.8 | -36.7 | 178.6 | -69.8 | -3.8 | 0 | 0 | 0 | 111.4 | L57 A61 L64 Y101 I103 A109 | L57-W105 HydrophobicContact CD2-CB 4.49Å; L57-W105 HydrophobicContact CD2-CD2 3.89Å; L57-W105 HydrophobicContact CD2-CE3 4.05Å; L57-W105 HydrophobicContact CD2-CG 4.1Å; A61-W105 HydrophobicContact CB-CB 3.91Å; L64-W105 HydrophobicContact CD1-CZ3 4.1Å; L64-W105 HydrophobicContact CD2-CZ3 4.47Å; Y101-W105 VanDerWaalsContact O-CB 3.31Å; Y101-W105 WeakPolarHBondContact O-CB 3.29Å; Y101-W105 VanDerWaalsContact O-CG 3.23Å; Y101-W105 PolarHBondContact O-N 3.03Å; I103-W105 PolarHBondContact O-N 3.01Å; W105-A109 WeakPolarHBondContact O-CB 3.31Å; W105-A109 PolarHBondContact O-N 3.23Å |
| 106 | S | 90.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65 | -42 | 179.5 | 75.3 | 0 | 0 | 0 | 0 | 113.4 | S102 I103 L104 S110 F198 Y202 F210 | S102-S106 VanDerWaalsContact O-CB 3.29Å; S102-S106 WeakPolarHBondContact O-CB 3.32Å; S102-S106 PolarHBondContact O-N 3.47Å; S102-S106 PolarHBondContact O-OG 3.21Å; I103-S106 PolarHBondContact O-N 3.11Å; I103-S106 PolarHBondContact O-OG 3.12Å; L104-S106 VanDerWaalsContact C-N 3.27Å; L104-S106 PolarHBondContact O-N 2.91Å; S106-S110 PolarHBondContact O-N 3.05Å; S106-S110 PolarHBondContact O-OG 2.98Å; S106-F198 WeakPolarHBondContact OG-CD2 3.39Å; S106-Y202 WeakPolarHBondContact CA-OH 3.18Å; S106-F210 VanDerWaalsContact CB-CZ 3.46Å |
| 107 | G | 90.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -76.5 | -30.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I103 L104 S110 | I103-G107 PolarHBondContact O-N 3.3Å; I103-G107 VanDerWaalsContact O-N 3.16Å; L104-G107 PolarHBondContact O-N 3.18Å; G107-S110 PolarHBondContact O-OG 3.4Å |
| 108 | W | 91.4 | Very high | 90.3 | Very high | 150 Ų | 150 | 53.3 Ų | 53.3 | 57% | 0.568 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -75.8 | -38.5 | 174 | -168.8 | 73.4 | 0 | 0 | 0 | 112 | T54 L57 L104 S110 N111 L116 | T54-W108 HydrophobicContact CG2-CZ3 4.47Å; L57-W108 HydrophobicContact CD1-CE3 3.48Å; L57-W108 VanDerWaalsContact CD1-CE3 3.48Å; L57-W108 HydrophobicContact CD1-CZ3 3.4Å; L104-W108 WeakPolarHBondContact O-CB 3.31Å; L104-W108 PolarHBondContact O-N 2.67Å; W108-S110 VanDerWaalsContact C-N 3.3Å; W108-S110 PolarHBondContact O-N 3.17Å; W108-N111 PolarHBondContact O-N 3.41Å; W108-L116 HydrophobicContact CB-CD1 4.42Å |
| 109 | A | 90.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.4 | -26.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | S53 T54 L57 W105 N111 | S53-A109 CarbonylContact C-O 3.47Å; S53-A109 WeakPolarHBondContact CA-O 3.45Å; S53-A109 WeakPolarHBondContact CB-O 3.22Å; T54-A109 PolarHBondContact N-O 2.92Å; T54-A109 WeakPolarHBondContact OG1-CA 3.37Å; T54-A109 WeakPolarHBondContact OG1-CB 3.38Å; L57-A109 HydrophobicContact CB-CB 3.71Å; W105-A109 WeakPolarHBondContact O-CB 3.31Å; W105-A109 PolarHBondContact O-N 3.23Å; A109-N111 VanDerWaalsContact C-N 3.33Å |
| 110 | S | 85.7 | Confident | 90.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.9 | -28.2 | 176.6 | 32.8 | 0 | 0 | 0 | 0 | 112.7 | S106 G107 W108 S112 A115 E201 | S106-S110 PolarHBondContact O-N 3.05Å; S106-S110 PolarHBondContact O-OG 2.98Å; G107-S110 PolarHBondContact O-OG 3.4Å; W108-S110 VanDerWaalsContact C-N 3.3Å; W108-S110 PolarHBondContact O-N 3.17Å; S110-S112 PolarHBondContact O-N 3.35Å; S110-A115 VanDerWaalsContact OG-CB 3.29Å; S110-A115 WeakPolarHBondContact OG-CB 3.01Å; S110-E201 VanDerWaalsContact C-OE2 3.27Å; S110-E201 WeakPolarHBondContact CA-OE2 3.25Å; S110-E201 WeakPolarHBondContact CB-OE2 3.37Å; S110-E201 VanDerWaalsContact O-CD 3.27Å; S110-E201 VanDerWaalsContact O-OE1 3.13Å |
| 111 | N | 87.9 | Confident | 90 | Very high | 110 Ų | 110 | 54.1 Ų | 54.1 | 59% | 0.588 | 25% | 0.251 | S | S | * | . | trans | 58.2 | 32.3 | 178.5 | -160.3 | 19.6 | 0 | 0 | 0 | 113.3 | T52 W108 A109 | T52-N111 WeakPolarHBondContact O-CB 3.21Å; T52-N111 PolarHBondContact O-ND2 3.08Å; W108-N111 PolarHBondContact O-N 3.41Å; A109-N111 VanDerWaalsContact C-N 3.33Å | ||
| 112 | S | 87.3 | Confident | 89.8 | Confident | 27 Ų | 27 | 48.4 Ų | 48.4 | 19% | 0.189 | 23% | 0.228 | C | C | . | . | trans | -113 | 140.3 | 165 | 50.4 | 0 | 0 | 0 | 0 | 111.3 | S110 Y114 A115 L116 E201 | S110-S112 PolarHBondContact O-N 3.35Å; S112-Y114 VanDerWaalsContact C-N 3.28Å; S112-Y114 PolarHBondContact O-N 2.94Å; S112-A115 PolarHBondContact O-N 3.3Å; S112-A115 VanDerWaalsContact OG-CB 3.24Å; S112-A115 WeakPolarHBondContact OG-CB 3.38Å; S112-L116 PolarHBondContact O-N 2.93Å; S112-E201 WeakPolarHBondContact CB-OE1 3.41Å; S112-E201 PolarHBondContact OG-OE1 3.21Å | ||
| 113 | N | 86.8 | Confident | 89.8 | Confident | 128 Ų | 128 | 49 Ų | 49 | 68% | 0.684 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -60.2 | -38.9 | -176.3 | -66.6 | -24.3 | 0 | 0 | 0 | 112.3 | I117 | N113-I117 WeakPolarHBondContact O-CD1 3.19Å; N113-I117 VanDerWaalsContact O-CG1 3.23Å; N113-I117 WeakPolarHBondContact O-CG1 3.41Å; N113-I117 PolarHBondContact O-N 2.96Å |
| 114 | Y | 88.7 | Confident | 89.8 | Confident | 155 Ų | 155 | 49.6 Ų | 49.6 | 61% | 0.608 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -67.6 | -41.3 | 178.9 | -69.6 | -76.1 | 0 | 0 | 0 | 112.5 | S112 L116 I117 G118 L194 | S112-Y114 VanDerWaalsContact C-N 3.28Å; S112-Y114 PolarHBondContact O-N 2.94Å; Y114-L116 VanDerWaalsContact C-N 3.35Å; Y114-I117 PolarHBondContact O-N 3.06Å; Y114-G118 PolarHBondContact O-N 2.95Å; Y114-L194 HydrophobicContact CD1-CD2 4.31Å |
| 115 | A | 87.6 | Confident | 89.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.6 | -39.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S110 S112 G118 A119 G197 | S110-A115 VanDerWaalsContact OG-CB 3.29Å; S110-A115 WeakPolarHBondContact OG-CB 3.01Å; S112-A115 PolarHBondContact O-N 3.3Å; S112-A115 VanDerWaalsContact OG-CB 3.24Å; S112-A115 WeakPolarHBondContact OG-CB 3.38Å; A115-G118 PolarHBondContact O-N 3.29Å; A115-A119 WeakPolarHBondContact O-CB 3.43Å; A115-A119 PolarHBondContact O-N 3.19Å; A115-G197 WeakPolarHBondContact CA-O 3.4Å |
| 116 | L | 89.9 | Confident | 89.6 | Confident | 58 Ų | 58 | 43 Ų | 43 | 30% | 0.304 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.8 | -45 | 175.6 | -175 | 64.2 | 0 | 0 | 0 | 112 | W108 S112 Y114 G118 A119 L120 | W108-L116 HydrophobicContact CB-CD1 4.42Å; S112-L116 PolarHBondContact O-N 2.93Å; Y114-L116 VanDerWaalsContact C-N 3.35Å; L116-G118 VanDerWaalsContact C-N 3.35Å; L116-G118 PolarHBondContact O-N 3.04Å; L116-A119 PolarHBondContact O-N 3.26Å; L116-L120 HydrophobicContact CD1-CD1 4.5Å; L116-L120 HydrophobicContact CG-CD1 4.21Å; L116-L120 WeakPolarHBondContact O-CG 3.2Å; L116-L120 PolarHBondContact O-N 3.39Å |
| 117 | I | 89.1 | Confident | 89.6 | Confident | 86 Ų | 86 | 47.1 Ų | 47.1 | 44% | 0.441 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.4 | -43.3 | 177 | -68.9 | 164.7 | 0 | 0 | 0 | 110.7 | N113 Y114 L120 R121 L194 | N113-I117 WeakPolarHBondContact O-CD1 3.19Å; N113-I117 VanDerWaalsContact O-CG1 3.23Å; N113-I117 WeakPolarHBondContact O-CG1 3.41Å; N113-I117 PolarHBondContact O-N 2.96Å; Y114-I117 PolarHBondContact O-N 3.06Å; I117-L120 PolarHBondContact O-N 2.84Å; I117-R121 WeakPolarHBondContact O-CG 3.14Å; I117-R121 PolarHBondContact O-N 3.23Å; I117-L194 HydrophobicContact CG2-CD2 4.28Å |
| 118 | G | 88.2 | Confident | 89.7 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.4 | -44.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y114 A115 L116 R121 A122 | Y114-G118 PolarHBondContact O-N 2.95Å; A115-G118 PolarHBondContact O-N 3.29Å; L116-G118 VanDerWaalsContact C-N 3.35Å; L116-G118 PolarHBondContact O-N 3.04Å; G118-R121 PolarHBondContact O-N 3.06Å; G118-A122 WeakPolarHBondContact O-CB 3.42Å; G118-A122 PolarHBondContact O-N 3.13Å |
| 119 | A | 90.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.4 | -43 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I103 A115 L116 R121 A122 V123 F198 | I103-A119 HydrophobicContact CG2-CB 4.41Å; A115-A119 WeakPolarHBondContact O-CB 3.43Å; A115-A119 PolarHBondContact O-N 3.19Å; L116-A119 PolarHBondContact O-N 3.26Å; A119-R121 VanDerWaalsContact C-N 3.35Å; A119-R121 PolarHBondContact O-N 3.32Å; A119-A122 PolarHBondContact O-N 3.25Å; A119-V123 WeakPolarHBondContact O-CB 3.3Å; A119-V123 WeakPolarHBondContact O-CG2 3.1Å; A119-V123 PolarHBondContact O-N 3.46Å; A119-F198 HydrophobicContact CB-CB 3.89Å |
| 120 | L | 91 | Very high | 89.9 | Confident | 93 Ų | 93 | 45.1 Ų | 45.1 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64 | -38.9 | 178.1 | -72.2 | 172.8 | 0 | 0 | 0 | 112.3 | L104 L116 I117 A124 | L104-L120 HydrophobicContact CD1-CD2 4.22Å; L116-L120 HydrophobicContact CD1-CD1 4.5Å; L116-L120 HydrophobicContact CG-CD1 4.21Å; L116-L120 WeakPolarHBondContact O-CG 3.2Å; L116-L120 PolarHBondContact O-N 3.39Å; I117-L120 PolarHBondContact O-N 2.84Å; L120-A124 WeakPolarHBondContact O-CB 3.38Å; L120-A124 PolarHBondContact O-N 3.43Å |
| 121 | R | 90.1 | Very high | 90.3 | Very high | 36 Ų | 36 | 49.3 Ų | 49.3 | 14% | 0.136 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.3 | -45.6 | 174.5 | -73.5 | 173.2 | 65.6 | 178.5 | -0.2 | 111.7 | I117 G118 A119 A124 Q125 E193 Y269 | I117-R121 WeakPolarHBondContact O-CG 3.14Å; I117-R121 PolarHBondContact O-N 3.23Å; G118-R121 PolarHBondContact O-N 3.06Å; A119-R121 VanDerWaalsContact C-N 3.35Å; A119-R121 PolarHBondContact O-N 3.32Å; R121-A124 PolarHBondContact O-N 2.77Å; R121-Q125 WeakPolarHBondContact O-CB 3.48Å; R121-Q125 PolarHBondContact O-N 2.89Å; R121-E193 IonicContact CZ-OE2 3.27Å; R121-E193 VanDerWaalsContact CZ-OE2 3.27Å; R121-E193 IonicContact NH1-OE2 2.73Å; R121-E193 PolarHBondContact NH1-OE2 2.98Å; R121-E193 IonicContact NH2-OE2 2.83Å; R121-E193 PolarHBondContact NH2-OE2 3.25Å; R121-Y269 HydrophobicContact CB-CD2 4.19Å; R121-Y269 HydrophobicContact CB-CE2 3.96Å; R121-Y269 HydrophobicContact CG-CD2 4.04Å; R121-Y269 HydrophobicContact CG-CE2 3.9Å |
| 122 | A | 89.1 | Confident | 90.6 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62 | -44.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I103 G118 A119 Q125 T126 A188 | I103-A122 HydrophobicContact CG2-CB 3.83Å; G118-A122 WeakPolarHBondContact O-CB 3.42Å; G118-A122 PolarHBondContact O-N 3.13Å; A119-A122 PolarHBondContact O-N 3.25Å; A122-Q125 WeakPolarHBondContact O-CB 3.28Å; A122-Q125 PolarHBondContact O-N 2.96Å; A122-T126 WeakPolarHBondContact O-CG2 3.26Å; A122-T126 PolarHBondContact O-N 2.84Å; A122-T126 PolarHBondContact O-OG1 3.29Å; A122-T126 VanDerWaalsContact O-OG1 3.14Å; A122-A188 HydrophobicContact CB-CB 3.56Å |
| 123 | V | 92.2 | Very high | 90.8 | Very high | 19 Ų | 19 | 45.7 Ų | 45.7 | 12% | 0.115 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.1 | -46.5 | 177.8 | 166.9 | 0 | 0 | 0 | 0 | 111.2 | V100 I103 L104 A119 Q125 T126 I127 | V100-V123 HydrophobicContact CG1-CB 4.05Å; V100-V123 HydrophobicContact CG1-CG1 3.66Å; V100-V123 HydrophobicContact CG1-CG2 3.78Å; I103-V123 HydrophobicContact CG2-CG2 4.42Å; L104-V123 HydrophobicContact CB-CG2 3.97Å; L104-V123 HydrophobicContact CD1-CG2 4.27Å; A119-V123 WeakPolarHBondContact O-CB 3.3Å; A119-V123 WeakPolarHBondContact O-CG2 3.1Å; A119-V123 PolarHBondContact O-N 3.46Å; V123-Q125 VanDerWaalsContact C-N 3.27Å; V123-Q125 PolarHBondContact O-N 2.9Å; V123-T126 WeakPolarHBondContact CA-OG1 3.32Å; V123-T126 PolarHBondContact O-N 3.31Å; V123-T126 PolarHBondContact O-OG1 2.81Å; V123-I127 HydrophobicContact CG1-CD1 3.64Å; V123-I127 HydrophobicContact CG1-CG1 4.49Å; V123-I127 WeakPolarHBondContact O-CD1 3.49Å; V123-I127 VanDerWaalsContact O-CG1 3.26Å; V123-I127 WeakPolarHBondContact O-CG1 3.47Å; V123-I127 PolarHBondContact O-N 3.32Å |
| 124 | A | 91.3 | Very high | 91.2 | Very high | 32 Ų | 32 | 41.4 Ų | 41.4 | 26% | 0.264 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.1 | -41.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L120 R121 S128 Y269 M273 | L120-A124 WeakPolarHBondContact O-CB 3.38Å; L120-A124 PolarHBondContact O-N 3.43Å; R121-A124 PolarHBondContact O-N 2.77Å; A124-S128 WeakPolarHBondContact O-CB 3.47Å; A124-S128 PolarHBondContact O-N 2.89Å; A124-S128 VanDerWaalsContact O-N 3.07Å; A124-S128 PolarHBondContact O-OG 3.08Å; A124-Y269 WeakPolarHBondContact CB-OH 3.34Å; A124-M273 HydrophobicContact CB-CE 3.8Å |
| 125 | Q | 91.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66 | -48 | 177.3 | 171.4 | 174.9 | -14.1 | 0 | 0 | 112.1 | R121 A122 V123 I127 S128 Y129 A178 N181 F185 L272 M273 | R121-Q125 WeakPolarHBondContact O-CB 3.48Å; R121-Q125 PolarHBondContact O-N 2.89Å; A122-Q125 WeakPolarHBondContact O-CB 3.28Å; A122-Q125 PolarHBondContact O-N 2.96Å; V123-Q125 VanDerWaalsContact C-N 3.27Å; V123-Q125 PolarHBondContact O-N 2.9Å; Q125-I127 VanDerWaalsContact C-N 3.29Å; Q125-I127 PolarHBondContact O-N 2.67Å; Q125-S128 PolarHBondContact O-N 3.11Å; Q125-S128 PolarHBondContact O-OG 3.36Å; Q125-Y129 HydrophobicContact CG-CD2 3.92Å; Q125-Y129 HydrophobicContact CG-CE2 4.11Å; Q125-Y129 VanDerWaalsContact O-CD2 3.29Å; Q125-Y129 WeakPolarHBondContact O-CD2 3.25Å; Q125-Y129 PolarHBondContact O-N 3.46Å; Q125-Y129 VanDerWaalsContact O-N 3.15Å; Q125-A178 PolarHBondContact NE2-O 3.24Å; Q125-N181 PolarHBondContact NE2-OD1 2.88Å; Q125-F185 PolarHBondContact NE2-O 3.18Å; Q125-F185 PolarHBondContact OE1-O 2.98Å; Q125-L272 HydrophobicContact CB-CD2 4.49Å; Q125-L272 HydrophobicContact CG-CD2 4.24Å; Q125-M273 HydrophobicContact CB-CE 4.1Å |
| 126 | T | 91 | Very high | 91.9 | Very high | 10 Ų | 10 | 39.9 Ų | 39.9 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62 | -40.5 | -179.4 | 49.2 | 0 | 0 | 0 | 0 | 111.4 | V100 I103 A122 V123 E130 | V100-T126 WeakPolarHBondContact CG2-OG1 3.48Å; I103-T126 HydrophobicContact CD1-CG2 4.45Å; A122-T126 WeakPolarHBondContact O-CG2 3.26Å; A122-T126 PolarHBondContact O-N 2.84Å; A122-T126 PolarHBondContact O-OG1 3.29Å; A122-T126 VanDerWaalsContact O-OG1 3.14Å; V123-T126 WeakPolarHBondContact CA-OG1 3.32Å; V123-T126 PolarHBondContact O-N 3.31Å; V123-T126 PolarHBondContact O-OG1 2.81Å; T126-E130 VanDerWaalsContact O-CB 3.22Å; T126-E130 WeakPolarHBondContact O-CB 3.48Å; T126-E130 PolarHBondContact O-N 3.09Å |
| 127 | I | 91.9 | Very high | 92.1 | Very high | 85 Ų | 85 | 37.3 Ų | 37.3 | 44% | 0.436 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -68.9 | -41.7 | -179.9 | -64.9 | 166.6 | 0 | 0 | 0 | 111.2 | V100 V123 Q125 E130 V131 | V100-I127 HydrophobicContact CG1-CD1 4.45Å; V100-I127 HydrophobicContact CG1-CG1 4.36Å; V123-I127 HydrophobicContact CG1-CD1 3.64Å; V123-I127 HydrophobicContact CG1-CG1 4.49Å; V123-I127 WeakPolarHBondContact O-CD1 3.49Å; V123-I127 VanDerWaalsContact O-CG1 3.26Å; V123-I127 WeakPolarHBondContact O-CG1 3.47Å; V123-I127 PolarHBondContact O-N 3.32Å; Q125-I127 VanDerWaalsContact C-N 3.29Å; Q125-I127 PolarHBondContact O-N 2.67Å; I127-E130 PolarHBondContact O-N 3.41Å; I127-V131 PolarHBondContact O-N 2.82Å |
| 128 | S | 92.4 | Very high | 92.3 | Very high | 42 Ų | 42 | 37.8 Ų | 37.8 | 29% | 0.294 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64 | -43.9 | -179.2 | 62.7 | 0 | 0 | 0 | 0 | 111.8 | A124 Q125 | A124-S128 WeakPolarHBondContact O-CB 3.47Å; A124-S128 PolarHBondContact O-N 2.89Å; A124-S128 VanDerWaalsContact O-N 3.07Å; A124-S128 PolarHBondContact O-OG 3.08Å; Q125-S128 PolarHBondContact O-N 3.11Å; Q125-S128 PolarHBondContact O-OG 3.36Å |
| 129 | Y | 92 | Very high | 92.6 | Very high | 35 Ų | 35 | 39.5 Ų | 39.5 | 14% | 0.137 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -75.3 | -28.1 | 178.9 | -75 | -71.5 | 0 | 0 | 0 | 113.5 | Q125 V131 T132 L133 A178 L272 | Q125-Y129 HydrophobicContact CG-CD2 3.92Å; Q125-Y129 HydrophobicContact CG-CE2 4.11Å; Q125-Y129 VanDerWaalsContact O-CD2 3.29Å; Q125-Y129 WeakPolarHBondContact O-CD2 3.25Å; Q125-Y129 PolarHBondContact O-N 3.46Å; Q125-Y129 VanDerWaalsContact O-N 3.15Å; Y129-V131 VanDerWaalsContact C-N 3.28Å; Y129-V131 PolarHBondContact O-N 3.25Å; Y129-T132 PolarHBondContact O-N 3.37Å; Y129-T132 VanDerWaalsContact O-N 3.14Å; Y129-T132 PolarHBondContact O-OG1 2.96Å; Y129-L133 WeakPolarHBondContact O-CB 3.39Å; Y129-L133 PolarHBondContact O-N 3.21Å; Y129-A178 HydrophobicContact CD1-CB 3.84Å; Y129-A178 HydrophobicContact CD2-CB 3.37Å; Y129-A178 HydrophobicContact CE1-CB 3.83Å; Y129-A178 HydrophobicContact CE2-CB 3.34Å; Y129-A178 HydrophobicContact CG-CB 3.62Å; Y129-L272 HydrophobicContact CE2-CD1 4.21Å; Y129-L272 HydrophobicContact CE2-CD2 3.58Å; Y129-L272 HydrophobicContact CE2-CG 3.9Å; Y129-L272 WeakPolarHBondContact OH-CG 3.38Å; Y129-L272 PolarHBondContact OH-O 3.04Å |
| 130 | E | 92.9 | Very high | 92.6 | Very high | 32 Ų | 32 | 39.5 Ų | 39.5 | 15% | 0.15 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62 | -35.5 | 175.3 | -174.5 | 163.9 | -136.8 | 0 | 0 | 112.3 | S96 S97 T126 I127 L133 A134 | S96-E130 PolarHBondContact OG-OE1 2.8Å; S97-E130 WeakPolarHBondContact CA-OE1 3.31Å; S97-E130 WeakPolarHBondContact CB-OE1 3.48Å; S97-E130 WeakPolarHBondContact CB-OE2 3.19Å; S97-E130 PolarHBondContact N-OE1 2.97Å; T126-E130 VanDerWaalsContact O-CB 3.22Å; T126-E130 WeakPolarHBondContact O-CB 3.48Å; T126-E130 PolarHBondContact O-N 3.09Å; I127-E130 PolarHBondContact O-N 3.41Å; E130-L133 WeakPolarHBondContact O-CB 3.41Å; E130-L133 PolarHBondContact O-N 2.91Å; E130-A134 WeakPolarHBondContact O-CB 3.33Å; E130-A134 PolarHBondContact O-N 3.2Å |
| 131 | V | 94.6 | Very high | 92.7 | Very high | 87 Ų | 87 | 35.6 Ų | 35.6 | 53% | 0.527 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.7 | -45.6 | 173.8 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | I127 Y129 A134 I135 | I127-V131 PolarHBondContact O-N 2.82Å; Y129-V131 VanDerWaalsContact C-N 3.28Å; Y129-V131 PolarHBondContact O-N 3.25Å; V131-A134 PolarHBondContact O-N 3.41Å; V131-I135 HydrophobicContact CG1-CD1 4.04Å; V131-I135 WeakPolarHBondContact O-CG1 3.23Å; V131-I135 PolarHBondContact O-N 3.2Å; V131-I135 VanDerWaalsContact O-N 3.17Å |
| 132 | T | 93.7 | Very high | 92.9 | Very high | 57 Ų | 57 | 40.6 Ų | 40.6 | 35% | 0.35 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.3 | -40.8 | 177.8 | 65.6 | 0 | 0 | 0 | 0 | 111.6 | Y129 A134 I135 I136 | Y129-T132 PolarHBondContact O-N 3.37Å; Y129-T132 VanDerWaalsContact O-N 3.14Å; Y129-T132 PolarHBondContact O-OG1 2.96Å; T132-A134 PolarHBondContact O-N 2.84Å; T132-I135 PolarHBondContact O-N 2.88Å; T132-I136 WeakPolarHBondContact O-CB 3.5Å; T132-I136 WeakPolarHBondContact O-CD1 3.05Å; T132-I136 WeakPolarHBondContact O-CG1 3.03Å; T132-I136 PolarHBondContact O-N 3.23Å |
| 133 | L | 93.3 | Very high | 93 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.8 | -47.1 | 176.6 | -167.4 | 96.8 | 0 | 0 | 0 | 110.7 | L93 Y129 E130 I136 L137 W172 T176 E179 | L93-L133 HydrophobicContact CD2-CD2 3.49Å; L93-L133 VanDerWaalsContact CD2-CD2 3.49Å; L93-L133 HydrophobicContact CD2-CG 4.39Å; Y129-L133 WeakPolarHBondContact O-CB 3.39Å; Y129-L133 PolarHBondContact O-N 3.21Å; E130-L133 WeakPolarHBondContact O-CB 3.41Å; E130-L133 PolarHBondContact O-N 2.91Å; L133-I136 PolarHBondContact O-N 2.82Å; L133-L137 HydrophobicContact CD2-CD1 4.41Å; L133-L137 HydrophobicContact CG-CD1 4.35Å; L133-L137 WeakPolarHBondContact O-CB 3.01Å; L133-L137 PolarHBondContact O-N 2.94Å; L133-W172 HydrophobicContact CB-CZ3 4.32Å; L133-W172 HydrophobicContact CD1-CE3 4Å; L133-W172 HydrophobicContact CD1-CH2 3.18Å; L133-W172 HydrophobicContact CD1-CZ2 3.76Å; L133-W172 HydrophobicContact CD1-CZ3 3.31Å; L133-W172 HydrophobicContact CD2-CH2 4.12Å; L133-W172 HydrophobicContact CD2-CZ3 4.44Å; L133-W172 HydrophobicContact CG-CE3 4.38Å; L133-W172 HydrophobicContact CG-CH2 3.46Å; L133-W172 VanDerWaalsContact CG-CH2 3.46Å; L133-W172 HydrophobicContact CG-CZ2 4.47Å; L133-W172 HydrophobicContact CG-CZ3 3.39Å; L133-T176 HydrophobicContact CD1-CG2 3.93Å; L133-E179 WeakPolarHBondContact CD1-OE2 3.33Å |
| 134 | A | 94.9 | Very high | 93 | Very high | 38 Ų | 38 | 45.3 Ų | 45.3 | 31% | 0.314 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L93 E130 V131 T132 L138 | L93-A134 HydrophobicContact CD1-CB 4.35Å; L93-A134 HydrophobicContact CD2-CB 4.44Å; E130-A134 WeakPolarHBondContact O-CB 3.33Å; E130-A134 PolarHBondContact O-N 3.2Å; V131-A134 PolarHBondContact O-N 3.41Å; T132-A134 PolarHBondContact O-N 2.84Å; A134-L138 WeakPolarHBondContact O-CB 3.17Å; A134-L138 PolarHBondContact O-N 3.17Å |
| 135 | I | 94.9 | Very high | 93 | Very high | 112 Ų | 112 | 47.2 Ų | 47.2 | 57% | 0.574 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -69.1 | -42.9 | 178.9 | -64.1 | 166 | 0 | 0 | 0 | 110.8 | V131 T132 L138 S139 | V131-I135 HydrophobicContact CG1-CD1 4.04Å; V131-I135 WeakPolarHBondContact O-CG1 3.23Å; V131-I135 PolarHBondContact O-N 3.2Å; V131-I135 VanDerWaalsContact O-N 3.17Å; T132-I135 PolarHBondContact O-N 2.88Å; I135-L138 PolarHBondContact O-N 2.62Å; I135-S139 PolarHBondContact O-N 3.33Å |
| 136 | I | 95.4 | Very high | 93.1 | Very high | 12 Ų | 12 | 48.8 Ų | 48.8 | 6% | 0.062 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 177 | -64.9 | 163.1 | 0 | 0 | 0 | 109.7 | T132 L133 L138 S139 T140 L168 M171 W172 | T132-I136 WeakPolarHBondContact O-CB 3.5Å; T132-I136 WeakPolarHBondContact O-CD1 3.05Å; T132-I136 WeakPolarHBondContact O-CG1 3.03Å; T132-I136 PolarHBondContact O-N 3.23Å; L133-I136 PolarHBondContact O-N 2.82Å; I136-L138 PolarHBondContact O-N 3.44Å; I136-S139 PolarHBondContact O-N 3.16Å; I136-S139 PolarHBondContact O-OG 2.99Å; I136-T140 WeakPolarHBondContact O-CG2 3.37Å; I136-T140 PolarHBondContact O-N 2.92Å; I136-T140 PolarHBondContact O-OG1 3.47Å; I136-L168 HydrophobicContact CG2-CB 4.2Å; I136-L168 HydrophobicContact CG2-CD2 4.34Å; I136-M171 HydrophobicContact CD1-CB 3.82Å; I136-W172 HydrophobicContact CB-CE3 4.14Å; I136-W172 HydrophobicContact CG2-CB 4.04Å; I136-W172 HydrophobicContact CG2-CE3 3.8Å |
| 137 | L | 93.9 | Very high | 93.2 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55.7 | -50.7 | 174.2 | -90.3 | 163.5 | 0 | 0 | 0 | 111.7 | L89 L93 L133 S139 T140 L141 W172 I228 | L89-L137 HydrophobicContact CD1-CD2 4.36Å; L89-L137 HydrophobicContact CD2-CD2 3.63Å; L93-L137 HydrophobicContact CD1-CD1 3.94Å; L93-L137 HydrophobicContact CD2-CD1 3.76Å; L93-L137 HydrophobicContact CG-CD1 3.91Å; L133-L137 HydrophobicContact CD2-CD1 4.41Å; L133-L137 HydrophobicContact CG-CD1 4.35Å; L133-L137 WeakPolarHBondContact O-CB 3.01Å; L133-L137 PolarHBondContact O-N 2.94Å; L137-S139 VanDerWaalsContact C-N 3.26Å; L137-S139 PolarHBondContact O-N 2.95Å; L137-T140 PolarHBondContact O-N 2.89Å; L137-T140 VanDerWaalsContact O-N 3.14Å; L137-T140 PolarHBondContact O-OG1 2.74Å; L137-L141 HydrophobicContact CB-CD1 4.48Å; L137-L141 WeakPolarHBondContact O-CB 3.46Å; L137-L141 WeakPolarHBondContact O-CD1 3.47Å; L137-L141 WeakPolarHBondContact O-CG 3.38Å; L137-L141 PolarHBondContact O-N 3.44Å; L137-W172 HydrophobicContact CB-CZ3 4.5Å; L137-W172 HydrophobicContact CD1-CH2 3.68Å; L137-W172 HydrophobicContact CD1-CZ3 3.7Å; L137-W172 HydrophobicContact CD2-CH2 4.23Å; L137-W172 HydrophobicContact CD2-CZ3 4.17Å; L137-W172 HydrophobicContact CG-CE3 4.39Å; L137-W172 HydrophobicContact CG-CH2 3.78Å; L137-W172 HydrophobicContact CG-CZ3 3.43Å; L137-W172 VanDerWaalsContact CG-CZ3 3.43Å; L137-I228 HydrophobicContact CD2-CD1 3.51Å; L137-I228 HydrophobicContact CD2-CG1 4.35Å |
| 138 | L | 94.4 | Very high | 93.3 | Very high | 97 Ų | 97 | 48.5 Ų | 48.5 | 51% | 0.508 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -54.7 | -45.2 | 178.4 | -175.3 | 67.5 | 0 | 0 | 0 | 111.5 | A134 I135 I136 T140 L141 L142 | A134-L138 WeakPolarHBondContact O-CB 3.17Å; A134-L138 PolarHBondContact O-N 3.17Å; I135-L138 PolarHBondContact O-N 2.62Å; I136-L138 PolarHBondContact O-N 3.44Å; L138-T140 PolarHBondContact O-N 3.32Å; L138-L141 PolarHBondContact O-N 3.14Å; L138-L142 WeakPolarHBondContact O-CG 3.1Å; L138-L142 PolarHBondContact O-N 3.48Å |
| 139 | S | 93.3 | Very high | 93.3 | Very high | 35 Ų | 35 | 46.5 Ų | 46.5 | 25% | 0.245 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 179.3 | 72.2 | 0 | 0 | 0 | 0 | 113.1 | I135 I136 L137 L141 L168 | I135-S139 PolarHBondContact O-N 3.33Å; I136-S139 PolarHBondContact O-N 3.16Å; I136-S139 PolarHBondContact O-OG 2.99Å; L137-S139 VanDerWaalsContact C-N 3.26Å; L137-S139 PolarHBondContact O-N 2.95Å; S139-L141 VanDerWaalsContact C-N 3.33Å; S139-L168 VanDerWaalsContact OG-CD1 3.25Å; S139-L168 WeakPolarHBondContact OG-CD1 3.39Å; S139-L168 WeakPolarHBondContact OG-CD2 3.5Å |
| 140 | T | 92.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.6 | -34.3 | 175.1 | 59.3 | 0 | 0 | 0 | 0 | 112.1 | I136 L137 L138 L142 M143 L161 I228 F229 | I136-T140 WeakPolarHBondContact O-CG2 3.37Å; I136-T140 PolarHBondContact O-N 2.92Å; I136-T140 PolarHBondContact O-OG1 3.47Å; L137-T140 PolarHBondContact O-N 2.89Å; L137-T140 VanDerWaalsContact O-N 3.14Å; L137-T140 PolarHBondContact O-OG1 2.74Å; L138-T140 PolarHBondContact O-N 3.32Å; T140-L142 VanDerWaalsContact C-N 3.31Å; T140-L142 PolarHBondContact O-N 3.16Å; T140-M143 WeakPolarHBondContact O-CB 3.48Å; T140-M143 PolarHBondContact O-N 3.27Å; T140-M143 VanDerWaalsContact O-N 3.16Å; T140-L161 HydrophobicContact CG2-CD2 3.93Å; T140-I228 HydrophobicContact CG2-CG2 4.28Å; T140-F229 HydrophobicContact CG2-CE1 3.65Å; T140-F229 HydrophobicContact CG2-CZ 3.66Å |
| 141 | L | 92.3 | Very high | 93.3 | Very high | 10 Ų | 10 | 46.7 Ų | 46.7 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.2 | -27.5 | -178.1 | -74 | 166.8 | 0 | 0 | 0 | 112.9 | L89 L137 L138 S139 M143 S144 G145 S146 F147 | L89-L141 HydrophobicContact CD1-CD1 3.94Å; L89-L141 HydrophobicContact CD1-CD2 3.2Å; L89-L141 HydrophobicContact CD1-CG 3.98Å; L137-L141 HydrophobicContact CB-CD1 4.48Å; L137-L141 WeakPolarHBondContact O-CB 3.46Å; L137-L141 WeakPolarHBondContact O-CD1 3.47Å; L137-L141 WeakPolarHBondContact O-CG 3.38Å; L137-L141 PolarHBondContact O-N 3.44Å; L138-L141 PolarHBondContact O-N 3.14Å; S139-L141 VanDerWaalsContact C-N 3.33Å; L141-M143 PolarHBondContact O-N 3.01Å; L141-S144 WeakPolarHBondContact CA-OG 3.49Å; L141-S144 PolarHBondContact O-N 3.11Å; L141-S144 PolarHBondContact O-OG 3.31Å; L141-G145 PolarHBondContact O-N 3.25Å; L141-S146 VanDerWaalsContact CD2-O 3.23Å; L141-S146 WeakPolarHBondContact CD2-O 3.04Å; L141-F147 HydrophobicContact CD1-CD1 3.51Å; L141-F147 HydrophobicContact CD1-CE1 3.52Å |
| 142 | L | 93.3 | Very high | 93.2 | Very high | 141 Ų | 141 | 42.6 Ų | 42.6 | 74% | 0.738 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -56.2 | -29.8 | 172.2 | -67.8 | 174.1 | 0 | 0 | 0 | 112.3 | L138 T140 | L138-L142 WeakPolarHBondContact O-CG 3.1Å; L138-L142 PolarHBondContact O-N 3.48Å; T140-L142 VanDerWaalsContact C-N 3.31Å; T140-L142 PolarHBondContact O-N 3.16Å |
| 143 | M | 91.4 | Very high | 93.2 | Very high | 101 Ų | 101 | 40.4 Ų | 40.4 | 50% | 0.498 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -77.9 | -28.1 | 175.6 | -58 | -175 | 66.6 | 0 | 0 | 112.8 | T140 L141 L161 P164 | T140-M143 WeakPolarHBondContact O-CB 3.48Å; T140-M143 PolarHBondContact O-N 3.27Å; T140-M143 VanDerWaalsContact O-N 3.16Å; L141-M143 PolarHBondContact O-N 3.01Å; M143-L161 HydrophobicContact CB-CD1 4.08Å; M143-L161 HydrophobicContact CE-CD1 4.24Å; M143-L161 HydrophobicContact SD-CD1 4.08Å; M143-L161 HydrophobicContact SD-CG 4.28Å; M143-P164 HydrophobicContact CE-CB 3.88Å; M143-P164 HydrophobicContact CE-CG 3.64Å; M143-P164 HydrophobicContact SD-CG 4.46Å |
| 144 | S | 91.9 | Very high | 93.1 | Very high | 17 Ų | 17 | 44.1 Ų | 44.1 | 12% | 0.119 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -88.2 | -27.3 | -178.5 | 74.8 | 0 | 0 | 0 | 0 | 114.2 | L141 S146 | L141-S144 WeakPolarHBondContact CA-OG 3.49Å; L141-S144 PolarHBondContact O-N 3.11Å; L141-S144 PolarHBondContact O-OG 3.31Å; S144-S146 VanDerWaalsContact C-N 3.3Å; S144-S146 PolarHBondContact O-N 3.48Å; S144-S146 PolarHBondContact OG-N 2.98Å; S144-S146 PolarHBondContact OG-O 3.43Å; S144-S146 VanDerWaalsContact OG-O 3.11Å |
| 145 | G | 91.4 | Very high | 93 | Very high | 72 Ų | 72 | 44.7 Ų | 44.7 | 74% | 0.742 | 26% | 0.264 | S | S | * | . | S | Bend | trans | 76.8 | -2.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | L141 | L141-G145 PolarHBondContact O-N 3.25Š|
| 146 | S | 93.5 | Very high | 92.8 | Very high | 33 Ų | 33 | 39.5 Ų | 39.5 | 23% | 0.231 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -152 | 160.8 | -178.9 | 57.4 | 0 | 0 | 0 | 0 | 113 | L141 S144 T151 | L141-S146 VanDerWaalsContact CD2-O 3.23Å; L141-S146 WeakPolarHBondContact CD2-O 3.04Å; S144-S146 VanDerWaalsContact C-N 3.3Å; S144-S146 PolarHBondContact O-N 3.48Å; S144-S146 PolarHBondContact OG-N 2.98Å; S144-S146 PolarHBondContact OG-O 3.43Å; S144-S146 VanDerWaalsContact OG-O 3.11Å; S146-T151 VanDerWaalsContact OG-CB 3.3Å; S146-T151 WeakPolarHBondContact OG-CB 3.48Å; S146-T151 WeakPolarHBondContact OG-CG2 3.37Å; S146-T151 PolarHBondContact OG-OG1 3.19Å |
| 147 | F | 93.5 | Very high | 92.6 | Very high | 68 Ų | 68 | 43.3 Ų | 43.3 | 30% | 0.298 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -90.7 | 2 | 179 | -69.4 | -82.8 | 0 | 0 | 0 | 114.1 | N86 L87 G88 L89 L90 L141 | N86-F147 CarbonylContact O-C 2.85Å; L87-F147 HydrophobicContact CD2-CB 4.11Å; L87-F147 HydrophobicContact CD2-CD2 4.15Å; L87-F147 HydrophobicContact CD2-CG 4.4Å; G88-F147 PolarHBondContact N-O 2.85Å; L89-F147 PolarHBondContact N-O 2.82Å; L89-F147 VanDerWaalsContact N-O 3.08Å; L90-F147 HydrophobicContact CD1-CD1 4.05Å; L90-F147 HydrophobicContact CD1-CD2 4.34Å; L90-F147 HydrophobicContact CD1-CE1 4.2Å; L90-F147 HydrophobicContact CD1-CE2 4.49Å; L90-F147 HydrophobicContact CD1-CG 4.13Å; L90-F147 HydrophobicContact CD1-CZ 4.43Å; L90-F147 HydrophobicContact CD2-CE1 4.3Å; L90-F147 HydrophobicContact CG-CD1 3.85Å; L90-F147 HydrophobicContact CG-CE1 4.08Å; L90-F147 HydrophobicContact CG-CG 4.34Å; L141-F147 HydrophobicContact CD1-CD1 3.51Å; L141-F147 HydrophobicContact CD1-CE1 3.52Å |
| 148 | N | 94.8 | Very high | 92.3 | Very high | 21 Ų | 21 | 51.5 Ų | 51.5 | 11% | 0.112 | 29% | 0.292 | C | S | . | . | trans | -77.3 | 135.7 | 178.7 | -167.4 | -25.2 | 0 | 0 | 0 | 109.4 | N84 N86 S150 T151 | N84-N148 PolarHBondContact OD1-ND2 3.05Å; N84-N148 PolarHBondContact OD1-OD1 3.4Å; N86-N148 PolarHBondContact O-N 3.26Å; N148-S150 VanDerWaalsContact C-N 3.32Å; N148-S150 PolarHBondContact ND2-OG 3.19Å; N148-S150 PolarHBondContact OD1-N 3Å; N148-S150 PolarHBondContact OD1-OG 2.79Å; N148-T151 HydrophobicContact CB-CG2 4.09Å; N148-T151 PolarHBondContact O-OG1 3.41Å | ||
| 149 | L | 91.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -25.4 | 177.9 | -73.3 | 158.7 | 0 | 0 | 0 | 112.5 | P75 P77 L89 I92 L152 | P75-L149 HydrophobicContact CB-CD1 3.97Å; P75-L149 HydrophobicContact CG-CD1 4.14Å; P75-L149 VanDerWaalsContact O-CD1 3.25Å; P75-L149 WeakPolarHBondContact O-CD1 3.33Å; P77-L149 HydrophobicContact CG-CB 3.93Å; L89-L149 HydrophobicContact CD1-CD2 4.2Å; L89-L149 HydrophobicContact CD2-CD2 3.68Å; L89-L149 HydrophobicContact CD2-CG 4.46Å; L89-L149 HydrophobicContact CG-CD2 3.69Å; L89-L149 HydrophobicContact CG-CG 4.05Å; I92-L149 HydrophobicContact CD1-CD1 3.7Å; L149-L152 HydrophobicContact CD2-CD1 4.13Å; L149-L152 WeakPolarHBondContact O-CB 3.5Å; L149-L152 PolarHBondContact O-N 3.31Å |
| 150 | S | 92.3 | Very high | 92.3 | Very high | 33 Ų | 33 | 56.8 Ų | 56.8 | 23% | 0.231 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -33.1 | 177.4 | 58.4 | 0 | 0 | 0 | 0 | 112.5 | N148 L152 I153 | N148-S150 VanDerWaalsContact C-N 3.32Å; N148-S150 PolarHBondContact ND2-OG 3.19Å; N148-S150 PolarHBondContact OD1-N 3Å; N148-S150 PolarHBondContact OD1-OG 2.79Å; S150-L152 VanDerWaalsContact C-N 3.28Å; S150-L152 PolarHBondContact O-N 3.47Å; S150-I153 WeakPolarHBondContact O-CB 3.13Å; S150-I153 PolarHBondContact O-N 3.37Å; S150-I153 VanDerWaalsContact O-N 3.14Å |
| 151 | T | 92.4 | Very high | 92.4 | Very high | 38 Ų | 38 | 57 Ų | 57 | 23% | 0.233 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.8 | -27.7 | 176.9 | 54.8 | 0 | 0 | 0 | 0 | 111.7 | S146 N148 I153 T154 T155 | S146-T151 VanDerWaalsContact OG-CB 3.3Å; S146-T151 WeakPolarHBondContact OG-CB 3.48Å; S146-T151 WeakPolarHBondContact OG-CG2 3.37Å; S146-T151 PolarHBondContact OG-OG1 3.19Å; N148-T151 HydrophobicContact CB-CG2 4.09Å; N148-T151 PolarHBondContact O-OG1 3.41Å; T151-I153 PolarHBondContact O-N 3.04Å; T151-T154 WeakPolarHBondContact CA-OG1 3.32Å; T151-T154 PolarHBondContact O-N 3.11Å; T151-T154 VanDerWaalsContact O-N 3.09Å; T151-T154 PolarHBondContact O-OG1 3.11Å; T151-T155 WeakPolarHBondContact O-CG2 3.47Å; T151-T155 PolarHBondContact O-N 3.22Å |
| 152 | L | 92.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.8 | -23.7 | 171.5 | -87.3 | 164.1 | 0 | 0 | 0 | 113.7 | L89 L149 S150 T155 Q156 I228 | L89-L152 HydrophobicContact CD1-CD1 3.75Å; L149-L152 HydrophobicContact CD2-CD1 4.13Å; L149-L152 WeakPolarHBondContact O-CB 3.5Å; L149-L152 PolarHBondContact O-N 3.31Å; S150-L152 VanDerWaalsContact C-N 3.28Å; S150-L152 PolarHBondContact O-N 3.47Å; L152-T155 WeakPolarHBondContact CA-OG1 3.43Å; L152-T155 PolarHBondContact O-OG1 2.98Å; L152-T155 VanDerWaalsContact O-OG1 3.05Å; L152-Q156 WeakPolarHBondContact O-CG 3.41Å; L152-Q156 PolarHBondContact O-NE2 3.46Å; L152-I228 HydrophobicContact CD1-CG1 4.3Å |
| 153 | I | 92.7 | Very high | 92.5 | Very high | 11 Ų | 11 | 57.8 Ų | 57.8 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.6 | -48.6 | 172.4 | -60.1 | 173.9 | 0 | 0 | 0 | 109.4 | P77 S150 T151 T155 Q156 Y242 | P77-I153 HydrophobicContact CB-CD1 3.76Å; P77-I153 HydrophobicContact CG-CD1 3.98Å; P77-I153 HydrophobicContact CG-CG1 4.5Å; S150-I153 WeakPolarHBondContact O-CB 3.13Å; S150-I153 PolarHBondContact O-N 3.37Å; S150-I153 VanDerWaalsContact O-N 3.14Å; T151-I153 PolarHBondContact O-N 3.04Å; I153-T155 VanDerWaalsContact C-N 3.3Å; I153-T155 PolarHBondContact O-N 3.35Å; I153-Q156 PolarHBondContact O-N 3.38Å; I153-Y242 HydrophobicContact CD1-CE1 4.43Å; I153-Y242 HydrophobicContact CD1-CE2 3.88Å; I153-Y242 WeakPolarHBondContact CD1-OH 3.31Å; I153-Y242 HydrophobicContact CG1-CE2 4.13Å; I153-Y242 WeakPolarHBondContact CG1-OH 3Å; I153-Y242 HydrophobicContact CG2-CD2 4.48Å; I153-Y242 HydrophobicContact CG2-CE2 3.7Å |
| 154 | T | 91.4 | Very high | 92.6 | Very high | 81 Ų | 81 | 56.7 Ų | 56.7 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.7 | -34 | -179.8 | 59 | 0 | 0 | 0 | 0 | 112.5 | T151 Q156 E157 | T151-T154 WeakPolarHBondContact CA-OG1 3.32Å; T151-T154 PolarHBondContact O-N 3.11Å; T151-T154 VanDerWaalsContact O-N 3.09Å; T151-T154 PolarHBondContact O-OG1 3.11Å; T154-Q156 PolarHBondContact O-N 3.11Å; T154-E157 WeakPolarHBondContact O-CG 3.41Å; T154-E157 PolarHBondContact O-N 2.95Å |
| 155 | T | 92.7 | Very high | 92.7 | Very high | 50 Ų | 50 | 56.2 Ų | 56.2 | 31% | 0.307 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.4 | -23 | 179.9 | 61.8 | 0 | 0 | 0 | 0 | 112.7 | T151 L152 I153 | T151-T155 WeakPolarHBondContact O-CG2 3.47Å; T151-T155 PolarHBondContact O-N 3.22Å; L152-T155 WeakPolarHBondContact CA-OG1 3.43Å; L152-T155 PolarHBondContact O-OG1 2.98Å; L152-T155 VanDerWaalsContact O-OG1 3.05Å; I153-T155 VanDerWaalsContact C-N 3.3Å; I153-T155 PolarHBondContact O-N 3.35Å |
| 156 | Q | 92.3 | Very high | 92.9 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 1% | 0.014 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 14 | -176.9 | -67.5 | 176.2 | 64.3 | 0 | 0 | 113.3 | L152 I153 T154 L159 L161 T227 I228 F229 G231 | L152-Q156 WeakPolarHBondContact O-CG 3.41Å; L152-Q156 PolarHBondContact O-NE2 3.46Å; I153-Q156 PolarHBondContact O-N 3.38Å; T154-Q156 PolarHBondContact O-N 3.11Å; Q156-L159 WeakPolarHBondContact CA-O 3.28Å; Q156-L161 HydrophobicContact CG-CB 4.12Å; Q156-T227 PolarHBondContact NE2-O 3.14Å; Q156-I228 PolarHBondContact NE2-O 3.05Å; Q156-I228 PolarHBondContact OE1-O 3.35Å; Q156-F229 PolarHBondContact OE1-O 3.33Å; Q156-G231 VanDerWaalsContact OE1-CA 3.29Å |
| 157 | E | 89.8 | Confident | 93 | Very high | 92 Ų | 92 | 60.9 Ų | 60.9 | 43% | 0.43 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -62.9 | -42.3 | 179.6 | -77.5 | -179.5 | -172 | 0 | 0 | 112.8 | T154 | T154-E157 WeakPolarHBondContact O-CG 3.41Å; T154-E157 PolarHBondContact O-N 2.95Å |
| 158 | H | 88.5 | Confident | 93.1 | Very high | 175 Ų | 175 | 59.8 Ų | 59.8 | 81% | 0.81 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -88.2 | -42.5 | -176.9 | -63.5 | -47.7 | 0 | 0 | 0 | 113.3 | ||
| 159 | L | 92.9 | Very high | 93.1 | Very high | 120 Ų | 120 | 59.2 Ų | 59.2 | 63% | 0.628 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -142.6 | 139.6 | -177 | -71 | 171 | 0 | 0 | 0 | 109.1 | Q156 L163 | Q156-L159 WeakPolarHBondContact CA-O 3.28Å; L159-L163 HydrophobicContact CD2-CD1 4.31Å |
| 160 | W | 94.4 | Very high | 93.2 | Very high | 123 Ų | 123 | 64.7 Ų | 64.7 | 47% | 0.466 | 33% | 0.331 | S | S | . | . | trans | -64.4 | 138.8 | 171.6 | -63.2 | -20.9 | 0 | 0 | 0 | 110.5 | L162 L163 P164 L230 G231 | W160-L162 PolarHBondContact O-N 3.39Å; W160-L162 VanDerWaalsContact O-N 3.16Å; W160-L163 PolarHBondContact O-N 3.05Å; W160-P164 WeakPolarHBondContact O-CD 3.35Å; W160-L230 HydrophobicContact CD2-CD2 4.29Å; W160-L230 HydrophobicContact CE3-CD2 3.96Å; W160-L230 HydrophobicContact CZ3-CD2 4.43Å; W160-G231 PolarHBondContact NE1-O 2.64Å | ||
| 161 | L | 94.2 | Very high | 93.4 | Very high | 7 Ų | 7 | 67.8 Ų | 67.8 | 4% | 0.037 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -24.6 | 178 | -150.4 | 95.3 | 0 | 0 | 0 | 111.5 | T140 M143 Q156 L163 P164 S165 I228 F229 | T140-L161 HydrophobicContact CG2-CD2 3.93Å; M143-L161 HydrophobicContact CB-CD1 4.08Å; M143-L161 HydrophobicContact CE-CD1 4.24Å; M143-L161 HydrophobicContact SD-CD1 4.08Å; M143-L161 HydrophobicContact SD-CG 4.28Å; Q156-L161 HydrophobicContact CG-CB 4.12Å; L161-L163 PolarHBondContact O-N 3.28Å; L161-P164 WeakPolarHBondContact O-CD 3.38Å; L161-P164 WeakPolarHBondContact O-CG 3.32Å; L161-S165 PolarHBondContact O-N 2.99Å; L161-S165 VanDerWaalsContact O-N 3.12Å; L161-S165 PolarHBondContact O-OG 3.31Å; L161-I228 VanDerWaalsContact CB-O 3.29Å; L161-I228 WeakPolarHBondContact CB-O 3.39Å; L161-I228 HydrophobicContact CD2-CG2 4.34Å; L161-I228 WeakPolarHBondContact CD2-O 3.38Å; L161-F229 HydrophobicContact CB-CD1 4.46Å; L161-F229 HydrophobicContact CD2-CD1 4.19Å; L161-F229 HydrophobicContact CD2-CE1 4.24Å; L161-F229 PolarHBondContact N-O 2.83Å |
| 162 | L | 94.3 | Very high | 93.5 | Very high | 62 Ų | 62 | 66.1 Ų | 66.1 | 33% | 0.325 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -35.9 | 175.5 | -171.3 | 139.2 | 0 | 0 | 0 | 113.4 | W160 W166 A169 F229 L230 | W160-L162 PolarHBondContact O-N 3.39Å; W160-L162 VanDerWaalsContact O-N 3.16Å; L162-W166 WeakPolarHBondContact O-CA 3.41Å; L162-W166 VanDerWaalsContact O-CB 3.28Å; L162-W166 WeakPolarHBondContact O-CB 3.45Å; L162-W166 PolarHBondContact O-N 3.38Å; L162-A169 HydrophobicContact CD1-CB 4.37Å; L162-A169 HydrophobicContact CG-CB 4.26Å; L162-F229 HydrophobicContact CB-CB 4.14Å; L162-F229 WeakPolarHBondContact CB-O 3.44Å; L162-F229 HydrophobicContact CD1-CB 4.49Å; L162-F229 PolarHBondContact N-O 2.71Å; L162-F229 VanDerWaalsContact N-O 3.08Å; L162-L230 HydrophobicContact CB-CD2 4.21Å; L162-L230 HydrophobicContact CD1-CD2 3.89Å; L162-L230 HydrophobicContact CD1-CG 4.26Å |
| 163 | L | 93.4 | Very high | 93.6 | Very high | 105 Ų | 105 | 67.7 Ų | 67.7 | 55% | 0.55 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -54.7 | -176.4 | -69.1 | 171.3 | 0 | 0 | 0 | 113 | L159 W160 L161 | L159-L163 HydrophobicContact CD2-CD1 4.31Å; W160-L163 PolarHBondContact O-N 3.05Å; L161-L163 PolarHBondContact O-N 3.28Å |
| 164 | P | 93.3 | Very high | 93.7 | Very high | 78 Ų | 78 | 71.2 Ų | 71.2 | 51% | 0.506 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -31.6 | 177.8 | 27.1 | -35.3 | 0 | 0 | 0 | 112.9 | M143 W160 L161 | M143-P164 HydrophobicContact CE-CB 3.88Å; M143-P164 HydrophobicContact CE-CG 3.64Å; M143-P164 HydrophobicContact SD-CG 4.46Å; W160-P164 WeakPolarHBondContact O-CD 3.35Å; L161-P164 WeakPolarHBondContact O-CD 3.38Å; L161-P164 WeakPolarHBondContact O-CG 3.32Å |
| 165 | S | 94.9 | Very high | 93.8 | Very high | 6 Ų | 6 | 67.4 Ų | 67.4 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 36.5 | -175.8 | 72.8 | 0 | 0 | 0 | 0 | 113.3 | L161 L168 A169 F229 | L161-S165 PolarHBondContact O-N 2.99Å; L161-S165 VanDerWaalsContact O-N 3.12Å; L161-S165 PolarHBondContact O-OG 3.31Å; S165-L168 WeakPolarHBondContact O-CB 3.37Å; S165-L168 PolarHBondContact O-N 3.28Å; S165-L168 VanDerWaalsContact O-N 3.11Å; S165-A169 PolarHBondContact O-N 3.03Å; S165-F229 WeakPolarHBondContact OG-CE1 3.29Å |
| 166 | W | 94.3 | Very high | 93.9 | Very high | 147 Ų | 147 | 65 Ų | 65 | 56% | 0.557 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -56.6 | -36.9 | -176.2 | 77.6 | -95.3 | 0 | 0 | 0 | 114.8 | L162 L168 A169 M170 | L162-W166 WeakPolarHBondContact O-CA 3.41Å; L162-W166 VanDerWaalsContact O-CB 3.28Å; L162-W166 WeakPolarHBondContact O-CB 3.45Å; L162-W166 PolarHBondContact O-N 3.38Å; W166-L168 VanDerWaalsContact C-N 3.34Å; W166-L168 PolarHBondContact O-N 3.22Å; W166-A169 PolarHBondContact O-N 2.94Å; W166-M170 HydrophobicContact CE3-CE 3.76Å; W166-M170 HydrophobicContact CE3-CG 4.31Å; W166-M170 HydrophobicContact CE3-SD 3.79Å; W166-M170 HydrophobicContact CZ3-CE 3.92Å; W166-M170 HydrophobicContact CZ3-SD 3.65Å; W166-M170 PolarHBondContact O-N 3.47Å |
| 167 | P | 95.6 | Very high | 93.9 | Very high | 57 Ų | 57 | 65.1 Ų | 65.1 | 37% | 0.37 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.3 | -38.1 | 178 | -16.5 | 31.7 | 0 | 0 | 0 | 111.2 | A169 M170 M171 | P167-A169 VanDerWaalsContact C-N 3.35Å; P167-M170 PolarHBondContact O-N 3.48Å; P167-M171 WeakPolarHBondContact O-CG 3.31Å; P167-M171 PolarHBondContact O-N 3.34Å |
| 168 | L | 95.4 | Very high | 93.9 | Very high | 44 Ų | 44 | 60.8 Ų | 60.8 | 23% | 0.23 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65 | -41.3 | 175.4 | -66.7 | 170.5 | 0 | 0 | 0 | 110.5 | I136 S139 S165 W166 M170 M171 W172 | I136-L168 HydrophobicContact CG2-CB 4.2Å; I136-L168 HydrophobicContact CG2-CD2 4.34Å; S139-L168 VanDerWaalsContact OG-CD1 3.25Å; S139-L168 WeakPolarHBondContact OG-CD1 3.39Å; S139-L168 WeakPolarHBondContact OG-CD2 3.5Å; S165-L168 WeakPolarHBondContact O-CB 3.37Å; S165-L168 PolarHBondContact O-N 3.28Å; S165-L168 VanDerWaalsContact O-N 3.11Å; W166-L168 VanDerWaalsContact C-N 3.34Å; W166-L168 PolarHBondContact O-N 3.22Å; L168-M170 PolarHBondContact O-N 2.84Å; L168-M171 HydrophobicContact CD2-CE 3.81Å; L168-M171 PolarHBondContact O-N 3.37Å; L168-W172 WeakPolarHBondContact O-CB 3.11Å; L168-W172 PolarHBondContact O-N 3.19Å |
| 169 | A | 95.1 | Very high | 94 | Very high | 10 Ų | 10 | 53.6 Ų | 53.6 | 8% | 0.083 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L162 S165 W166 P167 W172 F173 F229 | L162-A169 HydrophobicContact CD1-CB 4.37Å; L162-A169 HydrophobicContact CG-CB 4.26Å; S165-A169 PolarHBondContact O-N 3.03Å; W166-A169 PolarHBondContact O-N 2.94Å; P167-A169 VanDerWaalsContact C-N 3.35Å; A169-W172 WeakPolarHBondContact O-CB 3.35Å; A169-F173 WeakPolarHBondContact O-CB 3.27Å; A169-F173 PolarHBondContact O-N 2.74Å; A169-F229 HydrophobicContact CB-CD1 3.58Å; A169-F229 HydrophobicContact CB-CD2 4.32Å; A169-F229 HydrophobicContact CB-CE1 3.67Å; A169-F229 HydrophobicContact CB-CE2 4.42Å; A169-F229 HydrophobicContact CB-CG 3.91Å; A169-F229 HydrophobicContact CB-CZ 4.09Å |
| 170 | M | 94.8 | Very high | 93.8 | Very high | 115 Ų | 115 | 48.3 Ų | 48.3 | 57% | 0.567 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -67.2 | -47.6 | 175.4 | -73.2 | -168.2 | -178.5 | 0 | 0 | 112 | W166 P167 L168 W172 F173 I174 | W166-M170 HydrophobicContact CE3-CE 3.76Å; W166-M170 HydrophobicContact CE3-CG 4.31Å; W166-M170 HydrophobicContact CE3-SD 3.79Å; W166-M170 HydrophobicContact CZ3-CE 3.92Å; W166-M170 HydrophobicContact CZ3-SD 3.65Å; W166-M170 PolarHBondContact O-N 3.47Å; P167-M170 PolarHBondContact O-N 3.48Å; L168-M170 PolarHBondContact O-N 2.84Å; M170-W172 VanDerWaalsContact C-N 3.29Å; M170-W172 PolarHBondContact O-N 3Å; M170-F173 PolarHBondContact O-N 2.92Å; M170-I174 WeakPolarHBondContact O-CG1 3.15Å; M170-I174 PolarHBondContact O-N 3.24Å; M170-I174 VanDerWaalsContact O-N 3.11Å |
| 171 | M | 95.8 | Very high | 93.4 | Very high | 99 Ų | 99 | 43.2 Ų | 43.2 | 49% | 0.488 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.9 | -40.2 | 176.7 | -69.5 | -171.4 | -62.5 | 0 | 0 | 111.5 | I136 P167 L168 F173 I174 S175 | I136-M171 HydrophobicContact CD1-CB 3.82Å; P167-M171 WeakPolarHBondContact O-CG 3.31Å; P167-M171 PolarHBondContact O-N 3.34Å; L168-M171 HydrophobicContact CD2-CE 3.81Å; L168-M171 PolarHBondContact O-N 3.37Å; M171-F173 PolarHBondContact O-N 3.46Å; M171-I174 PolarHBondContact O-N 3.11Å; M171-S175 PolarHBondContact O-N 3.49Å; M171-S175 PolarHBondContact O-OG 3.04Å |
| 172 | W | 95.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 1% | 0.011 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.4 | -45.4 | 174.5 | 174.9 | -92.4 | 0 | 0 | 0 | 112.6 | L133 I136 L137 L168 A169 M170 I174 S175 T176 L224 I228 F229 | L133-W172 HydrophobicContact CB-CZ3 4.32Å; L133-W172 HydrophobicContact CD1-CE3 4Å; L133-W172 HydrophobicContact CD1-CH2 3.18Å; L133-W172 HydrophobicContact CD1-CZ2 3.76Å; L133-W172 HydrophobicContact CD1-CZ3 3.31Å; L133-W172 HydrophobicContact CD2-CH2 4.12Å; L133-W172 HydrophobicContact CD2-CZ3 4.44Å; L133-W172 HydrophobicContact CG-CE3 4.38Å; L133-W172 HydrophobicContact CG-CH2 3.46Å; L133-W172 VanDerWaalsContact CG-CH2 3.46Å; L133-W172 HydrophobicContact CG-CZ2 4.47Å; L133-W172 HydrophobicContact CG-CZ3 3.39Å; I136-W172 HydrophobicContact CB-CE3 4.14Å; I136-W172 HydrophobicContact CG2-CB 4.04Å; I136-W172 HydrophobicContact CG2-CE3 3.8Å; L137-W172 HydrophobicContact CB-CZ3 4.5Å; L137-W172 HydrophobicContact CD1-CH2 3.68Å; L137-W172 HydrophobicContact CD1-CZ3 3.7Å; L137-W172 HydrophobicContact CD2-CH2 4.23Å; L137-W172 HydrophobicContact CD2-CZ3 4.17Å; L137-W172 HydrophobicContact CG-CE3 4.39Å; L137-W172 HydrophobicContact CG-CH2 3.78Å; L137-W172 HydrophobicContact CG-CZ3 3.43Å; L137-W172 VanDerWaalsContact CG-CZ3 3.43Å; L168-W172 WeakPolarHBondContact O-CB 3.11Å; L168-W172 PolarHBondContact O-N 3.19Å; A169-W172 WeakPolarHBondContact O-CB 3.35Å; M170-W172 VanDerWaalsContact C-N 3.29Å; M170-W172 PolarHBondContact O-N 3Å; W172-I174 VanDerWaalsContact C-N 3.31Å; W172-I174 PolarHBondContact O-N 2.89Å; W172-S175 WeakPolarHBondContact CA-OG 3.25Å; W172-S175 PolarHBondContact O-N 3.17Å; W172-S175 PolarHBondContact O-OG 3.34Å; W172-T176 HydrophobicContact CD2-CG2 4.28Å; W172-T176 HydrophobicContact CH2-CG2 4.41Å; W172-T176 HydrophobicContact CZ2-CG2 3.53Å; W172-T176 WeakPolarHBondContact O-CG2 3.34Å; W172-T176 PolarHBondContact O-N 3.49Å; W172-T176 PolarHBondContact O-OG1 2.87Å; W172-L224 HydrophobicContact CH2-CD2 3.55Å; W172-L224 HydrophobicContact CZ2-CD2 3.11Å; W172-I228 HydrophobicContact CH2-CD1 4.23Å; W172-I228 HydrophobicContact CZ2-CD1 4.04Å; W172-F229 HydrophobicContact CB-CE2 3.72Å; W172-F229 HydrophobicContact CB-CZ 3.98Å; W172-F229 AromaticContact CD1-CD2 3.97Å; W172-F229 AromaticContact CD1-CE2 3.46Å; W172-F229 VanDerWaalsContact CD1-CE2 3.46Å; W172-F229 AromaticContact CD2-CE2 3.92Å; W172-F229 HydrophobicContact CD2-CE2 3.92Å; W172-F229 HydrophobicContact CG-CD2 4.3Å; W172-F229 AromaticContact CG-CE2 3.37Å; W172-F229 HydrophobicContact CG-CE2 3.37Å; W172-F229 HydrophobicContact CG-CZ 4.07Å |
| 173 | F | 94.8 | Very high | 92 | Very high | 34 Ų | 34 | 41.1 Ų | 41.1 | 15% | 0.149 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.6 | -37.2 | -179.2 | -173.1 | -96.7 | 0 | 0 | 0 | 111.5 | A169 M170 M171 T176 L177 L253 L256 F257 I260 | A169-F173 WeakPolarHBondContact O-CB 3.27Å; A169-F173 PolarHBondContact O-N 2.74Å; M170-F173 PolarHBondContact O-N 2.92Å; M171-F173 PolarHBondContact O-N 3.46Å; F173-T176 WeakPolarHBondContact CA-OG1 3.22Å; F173-T176 PolarHBondContact O-OG1 3.14Å; F173-L177 HydrophobicContact CD1-CD1 3.95Å; F173-L177 HydrophobicContact CE1-CD1 3.68Å; F173-L177 HydrophobicContact CE1-CG 4.43Å; F173-L177 HydrophobicContact CZ-CD1 4.44Å; F173-L177 WeakPolarHBondContact O-CG 3Å; F173-L177 PolarHBondContact O-N 3.27Å; F173-L177 VanDerWaalsContact O-N 3.16Å; F173-L253 HydrophobicContact CE2-CD2 4.22Å; F173-L256 HydrophobicContact CE1-CD2 3.81Å; F173-L256 HydrophobicContact CZ-CB 4.38Å; F173-L256 HydrophobicContact CZ-CD2 3.61Å; F173-L256 HydrophobicContact CZ-CG 4.48Å; F173-F257 AromaticContact CD2-CE1 3.96Å; F173-F257 HydrophobicContact CD2-CE1 3.96Å; F173-F257 HydrophobicContact CE1-CD1 4.41Å; F173-F257 HydrophobicContact CE1-CE1 4.3Å; F173-F257 AromaticContact CE2-CD1 3.61Å; F173-F257 HydrophobicContact CE2-CD1 3.61Å; F173-F257 AromaticContact CE2-CE1 3.31Å; F173-F257 HydrophobicContact CE2-CE1 3.31Å; F173-F257 AromaticContact CZ-CD1 3.45Å; F173-F257 HydrophobicContact CZ-CD1 3.45Å; F173-F257 VanDerWaalsContact CZ-CD1 3.45Å; F173-F257 AromaticContact CZ-CE1 3.5Å; F173-F257 HydrophobicContact CZ-CE1 3.5Å; F173-I260 HydrophobicContact CE1-CD1 3.48Å; F173-I260 VanDerWaalsContact CE1-CD1 3.48Å; F173-I260 HydrophobicContact CZ-CD1 4.1Å |
| 174 | I | 93.9 | Very high | 91.4 | Very high | 84 Ų | 84 | 36.4 Ų | 36.4 | 43% | 0.431 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -68.1 | -42.5 | 173.6 | -64.5 | 170.1 | 0 | 0 | 0 | 111 | M170 M171 W172 T176 L177 A178 F185 | M170-I174 WeakPolarHBondContact O-CG1 3.15Å; M170-I174 PolarHBondContact O-N 3.24Å; M170-I174 VanDerWaalsContact O-N 3.11Å; M171-I174 PolarHBondContact O-N 3.11Å; W172-I174 VanDerWaalsContact C-N 3.31Å; W172-I174 PolarHBondContact O-N 2.89Å; I174-T176 PolarHBondContact O-N 3.28Å; I174-L177 WeakPolarHBondContact O-CB 3.4Å; I174-L177 PolarHBondContact O-N 3.26Å; I174-A178 PolarHBondContact O-N 3.12Å; I174-A178 VanDerWaalsContact O-N 3.09Å; I174-F185 HydrophobicContact CG2-CE2 3.78Å; I174-F185 HydrophobicContact CG2-CZ 3.73Å |
| 175 | S | 93.8 | Very high | 91 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.014 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.4 | -38.4 | 179.1 | 66.2 | 0 | 0 | 0 | 0 | 112.1 | M171 W172 A178 E179 | M171-S175 PolarHBondContact O-N 3.49Å; M171-S175 PolarHBondContact O-OG 3.04Å; W172-S175 WeakPolarHBondContact CA-OG 3.25Å; W172-S175 PolarHBondContact O-N 3.17Å; W172-S175 PolarHBondContact O-OG 3.34Å; S175-A178 PolarHBondContact O-N 3.34Å; S175-E179 WeakPolarHBondContact O-CB 3.48Å; S175-E179 PolarHBondContact O-N 2.87Å |
| 176 | T | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.6 | -33.1 | 176.2 | 50.8 | 0 | 0 | 0 | 0 | 113.3 | L133 W172 F173 I174 A178 T180 M221 T225 | L133-T176 HydrophobicContact CD1-CG2 3.93Å; W172-T176 HydrophobicContact CD2-CG2 4.28Å; W172-T176 HydrophobicContact CH2-CG2 4.41Å; W172-T176 HydrophobicContact CZ2-CG2 3.53Å; W172-T176 WeakPolarHBondContact O-CG2 3.34Å; W172-T176 PolarHBondContact O-N 3.49Å; W172-T176 PolarHBondContact O-OG1 2.87Å; F173-T176 WeakPolarHBondContact CA-OG1 3.22Å; F173-T176 PolarHBondContact O-OG1 3.14Å; I174-T176 PolarHBondContact O-N 3.28Å; T176-A178 VanDerWaalsContact C-N 3.31Å; T176-T180 WeakPolarHBondContact O-CG2 3.43Å; T176-T180 PolarHBondContact O-N 3.18Å; T176-T180 PolarHBondContact O-OG1 2.86Å; T176-M221 HydrophobicContact CG2-CB 4.46Å; T176-M221 HydrophobicContact CG2-SD 4.49Å; T176-T225 HydrophobicContact CG2-CG2 4.17Å |
| 177 | L | 92.2 | Very high | 89.3 | Confident | 5 Ų | 5 | 26.7 Ų | 26.7 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.2 | -42.5 | 168.9 | -82.1 | 163.4 | 0 | 0 | 0 | 111.4 | F173 I174 T180 R182 F185 F257 I260 | F173-L177 HydrophobicContact CD1-CD1 3.95Å; F173-L177 HydrophobicContact CE1-CD1 3.68Å; F173-L177 HydrophobicContact CE1-CG 4.43Å; F173-L177 HydrophobicContact CZ-CD1 4.44Å; F173-L177 WeakPolarHBondContact O-CG 3Å; F173-L177 PolarHBondContact O-N 3.27Å; F173-L177 VanDerWaalsContact O-N 3.16Å; I174-L177 WeakPolarHBondContact O-CB 3.4Å; I174-L177 PolarHBondContact O-N 3.26Å; L177-T180 PolarHBondContact O-OG1 3.48Å; L177-R182 PolarHBondContact O-N 3.45Å; L177-F185 HydrophobicContact CB-CD2 4.09Å; L177-F185 HydrophobicContact CB-CE2 4.3Å; L177-F257 HydrophobicContact CD2-CB 4.47Å; L177-F257 HydrophobicContact CD2-CD1 3.88Å; L177-F257 HydrophobicContact CD2-CD2 3.69Å; L177-F257 HydrophobicContact CD2-CE1 3.92Å; L177-F257 HydrophobicContact CD2-CE2 3.77Å; L177-F257 HydrophobicContact CD2-CG 3.74Å; L177-F257 HydrophobicContact CD2-CZ 3.87Å; L177-F257 HydrophobicContact CG-CD1 4.28Å; L177-F257 HydrophobicContact CG-CE1 3.87Å; L177-F257 HydrophobicContact CG-CE2 4.19Å; L177-F257 HydrophobicContact CG-CZ 3.82Å; L177-I260 HydrophobicContact CD1-CD1 3.83Å; L177-I260 HydrophobicContact CD1-CG2 4.25Å |
| 178 | A | 91.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -71.9 | -39.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q125 Y129 I174 S175 T176 T180 N181 F185 | Q125-A178 PolarHBondContact NE2-O 3.24Å; Y129-A178 HydrophobicContact CD1-CB 3.84Å; Y129-A178 HydrophobicContact CD2-CB 3.37Å; Y129-A178 HydrophobicContact CE1-CB 3.83Å; Y129-A178 HydrophobicContact CE2-CB 3.34Å; Y129-A178 HydrophobicContact CG-CB 3.62Å; I174-A178 PolarHBondContact O-N 3.12Å; I174-A178 VanDerWaalsContact O-N 3.09Å; S175-A178 PolarHBondContact O-N 3.34Å; T176-A178 VanDerWaalsContact C-N 3.31Å; A178-T180 VanDerWaalsContact C-N 3.3Å; A178-T180 PolarHBondContact O-N 3.42Å; A178-N181 PolarHBondContact O-N 3.38Å; A178-N181 VanDerWaalsContact O-N 3.12Å; A178-F185 HydrophobicContact CB-CB 4.03Å; A178-F185 HydrophobicContact CB-CD2 3.76Å; A178-F185 HydrophobicContact CB-CE2 4.38Å; A178-F185 HydrophobicContact CB-CG 3.89Å |
| 179 | E | 90.5 | Very high | 86.5 | Confident | 24 Ų | 24 | 23.3 Ų | 23.3 | 11% | 0.112 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.4 | -35.5 | 177.5 | -171.1 | -177.8 | 171.8 | 0 | 0 | 112.3 | S96 L133 S175 N181 M221 | S96-E179 WeakPolarHBondContact CB-OE1 3.48Å; L133-E179 WeakPolarHBondContact CD1-OE2 3.33Å; S175-E179 WeakPolarHBondContact O-CB 3.48Å; S175-E179 PolarHBondContact O-N 2.87Å; E179-N181 PolarHBondContact O-N 3.22Å; E179-M221 HydrophobicContact CG-CE 4.25Å; E179-M221 WeakPolarHBondContact OE1-CE 3.38Å; E179-M221 VanDerWaalsContact OE2-CE 3.26Å; E179-M221 WeakPolarHBondContact OE2-CE 3.5Å |
| 180 | T | 88.5 | Confident | 85.2 | Confident | 10 Ų | 10 | 23 Ų | 23 | 6% | 0.061 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 7.9 | 176.6 | 54.9 | 0 | 0 | 0 | 0 | 113.7 | T176 L177 A178 R182 I218 M221 | T176-T180 WeakPolarHBondContact O-CG2 3.43Å; T176-T180 PolarHBondContact O-N 3.18Å; T176-T180 PolarHBondContact O-OG1 2.86Å; L177-T180 PolarHBondContact O-OG1 3.48Å; A178-T180 VanDerWaalsContact C-N 3.3Å; A178-T180 PolarHBondContact O-N 3.42Å; T180-R182 PolarHBondContact O-N 3.45Å; T180-R182 VanDerWaalsContact O-N 3.14Å; T180-I218 HydrophobicContact CG2-CG1 4.27Å; T180-M221 HydrophobicContact CG2-CB 4.23Å; T180-M221 HydrophobicContact CG2-CG 3.77Å |
| 181 | N | 84.8 | Confident | 83.6 | Confident | 15 Ų | 15 | 23.6 Ų | 23.6 | 8% | 0.08 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 32 | -179.6 | -62 | -46.2 | 0 | 0 | 0 | 113.6 | Q125 A178 E179 D186 A188 | Q125-N181 PolarHBondContact NE2-OD1 2.88Å; A178-N181 PolarHBondContact O-N 3.38Å; A178-N181 VanDerWaalsContact O-N 3.12Å; E179-N181 PolarHBondContact O-N 3.22Å; N181-D186 WeakPolarHBondContact O-CA 3.48Å; N181-D186 VanDerWaalsContact O-CB 3.31Å; N181-D186 WeakPolarHBondContact O-CB 3.04Å; N181-A188 HydrophobicContact CB-CB 4.29Å |
| 182 | R | 82.4 | Confident | 82 | Confident | 14 Ų | 14 | 23.8 Ų | 23.8 | 5% | 0.053 | 13% | 0.127 | C | C | . | . | trans | -94.1 | 148.5 | 179.2 | -75.7 | -56 | -163 | -147.6 | -17.4 | 112 | L177 T180 F185 D186 E214 Y215 I218 | L177-R182 PolarHBondContact O-N 3.45Å; T180-R182 PolarHBondContact O-N 3.45Å; T180-R182 VanDerWaalsContact O-N 3.14Å; R182-F185 CarbonylContact O-C 3.54Å; R182-F185 WeakPolarHBondContact O-CA 3.26Å; R182-F185 PolarHBondContact O-N 3.27Å; R182-D186 PolarHBondContact O-N 3.43Å; R182-E214 IonicContact CZ-OE1 3.25Å; R182-E214 IonicContact CZ-OE2 2.77Å; R182-E214 IonicContact NE-OE1 3.37Å; R182-E214 PolarHBondContact NE-OE1 3.3Å; R182-E214 IonicContact NH1-OE1 3.55Å; R182-E214 PolarHBondContact NH1-OE1 2.8Å; R182-E214 IonicContact NH1-OE2 3.5Å; R182-E214 PolarHBondContact NH1-OE2 3.33Å; R182-E214 IonicContact NH2-OE1 3.18Å; R182-E214 PolarHBondContact NH2-OE1 2.92Å; R182-E214 IonicContact NH2-OE2 3.95Å; R182-E214 PolarHBondContact NH2-OE2 2.67Å; R182-Y215 PolarHBondContact NH2-OH 2.87Å; R182-I218 HydrophobicContact CG-CD1 3.86Å; R182-I218 HydrophobicContact CG-CG1 4.29Å | ||
| 183 | T | 78.3 | Confident | 80.2 | Confident | 11 Ų | 11 | 28.4 Ų | 28.4 | 7% | 0.067 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 130.2 | 174.2 | 47.7 | 0 | 0 | 0 | 0 | 109.8 | D186 R261 R266 | T183-D186 HydrophobicContact CG2-CB 3.64Å; T183-R261 WeakPolarHBondContact OG1-CA 3.01Å; T183-R261 WeakPolarHBondContact OG1-CB 3.29Å; T183-R261 WeakPolarHBondContact OG1-CD 3.24Å; T183-R261 WeakPolarHBondContact OG1-CG 3.47Å; T183-R266 HydrophobicContact CG2-CG 4.11Å |
| 184 | P | 79.6 | Confident | 78.5 | Confident | 7 Ų | 7 | 27.1 Ų | 27.1 | 5% | 0.045 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -85.8 | -2.7 | 19.3 | 35 | -39.2 | 0 | 0 | 0 | 116.1 | P265 R266 F267 | P184-P265 WeakPolarHBondContact CB-O 3.39Å; P184-R266 WeakPolarHBondContact O-CA 3.45Å; P184-F267 HydrophobicContact CB-CD2 3.75Å; P184-F267 HydrophobicContact CB-CE2 3.91Å; P184-F267 HydrophobicContact CG-CD2 4.05Å; P184-F267 HydrophobicContact CG-CE2 3.91Å; P184-F267 PolarHBondContact O-N 3.44Å |
| 185 | F | 85.8 | Confident | 77.3 | Confident | 19 Ų | 19 | 28.6 Ų | 28.6 | 8% | 0.083 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -99.5 | 24.8 | -176.7 | -53.2 | -62.5 | 0 | 0 | 0 | 113.3 | Q125 I174 L177 A178 R182 L187 F267 L272 | Q125-F185 PolarHBondContact NE2-O 3.18Å; Q125-F185 PolarHBondContact OE1-O 2.98Å; I174-F185 HydrophobicContact CG2-CE2 3.78Å; I174-F185 HydrophobicContact CG2-CZ 3.73Å; L177-F185 HydrophobicContact CB-CD2 4.09Å; L177-F185 HydrophobicContact CB-CE2 4.3Å; A178-F185 HydrophobicContact CB-CB 4.03Å; A178-F185 HydrophobicContact CB-CD2 3.76Å; A178-F185 HydrophobicContact CB-CE2 4.38Å; A178-F185 HydrophobicContact CB-CG 3.89Å; R182-F185 CarbonylContact O-C 3.54Å; R182-F185 WeakPolarHBondContact O-CA 3.26Å; R182-F185 PolarHBondContact O-N 3.27Å; F185-L187 VanDerWaalsContact C-N 3.34Å; F185-L187 PolarHBondContact O-N 3.33Å; F185-F267 AromaticContact CD1-CD2 3.84Å; F185-F267 HydrophobicContact CD1-CD2 3.84Å; F185-F267 AromaticContact CE1-CD2 3.5Å; F185-F267 HydrophobicContact CE1-CD2 3.5Å; F185-F267 AromaticContact CE1-CE2 3.82Å; F185-F267 HydrophobicContact CE1-CE2 3.82Å; F185-F267 HydrophobicContact CE1-CG 4.36Å; F185-F267 HydrophobicContact CZ-CD2 4.29Å; F185-F267 HydrophobicContact CZ-CE2 4.2Å; F185-L272 HydrophobicContact CB-CD1 3.81Å; F185-L272 HydrophobicContact CD1-CD1 3.46Å; F185-L272 VanDerWaalsContact CD1-CD1 3.46Å; F185-L272 HydrophobicContact CD1-CG 4.22Å; F185-L272 HydrophobicContact CE1-CD1 4.43Å; F185-L272 HydrophobicContact CG-CD1 4.03Å |
| 186 | D | 80.9 | Confident | 76.2 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | trans | -83.6 | 78.1 | 178.6 | 175.6 | 21.1 | 0 | 0 | 0 | 110.8 | N181 R182 T183 E189 R266 | N181-D186 WeakPolarHBondContact O-CA 3.48Å; N181-D186 VanDerWaalsContact O-CB 3.31Å; N181-D186 WeakPolarHBondContact O-CB 3.04Å; R182-D186 PolarHBondContact O-N 3.43Å; T183-D186 HydrophobicContact CG2-CB 3.64Å; D186-E189 WeakPolarHBondContact OD1-CB 3.42Å; D186-E189 PolarHBondContact OD1-N 2.92Å; D186-E189 VanDerWaalsContact OD1-N 3.16Å; D186-R266 IonicContact OD2-CZ 2.62Å; D186-R266 IonicContact OD2-NE 3.44Å; D186-R266 IonicContact OD2-NH2 2.95Å; D186-R266 PolarHBondContact OD2-NH2 3.49Å | ||
| 187 | L | 71.3 | Confident | 75.6 | Confident | 5 Ų | 5 | 29.7 Ų | 29.7 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | trans | -93.8 | -22 | 176.9 | -60.8 | 175.9 | 0 | 0 | 0 | 112.3 | F185 F267 Y269 L272 | F185-L187 VanDerWaalsContact C-N 3.34Å; F185-L187 PolarHBondContact O-N 3.33Å; L187-F267 VanDerWaalsContact CD2-O 3.26Å; L187-F267 WeakPolarHBondContact CD2-O 3.23Å; L187-Y269 HydrophobicContact CD1-CD2 3.75Å; L187-Y269 HydrophobicContact CD1-CG 4.32Å; L187-L272 HydrophobicContact CD1-CB 4.16Å; L187-L272 HydrophobicContact CD1-CD1 3.45Å; L187-L272 VanDerWaalsContact CD1-CD1 3.45Å; L187-L272 HydrophobicContact CD1-CD2 4.19Å; L187-L272 HydrophobicContact CD1-CG 4.12Å; L187-L272 HydrophobicContact CG-CD1 4.19Å | ||
| 188 | A | 66.1 | Low | 74.9 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 2% | 0.017 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -71.3 | -42.2 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | A122 N181 G197 F198 | A122-A188 HydrophobicContact CB-CB 3.56Å; N181-A188 HydrophobicContact CB-CB 4.29Å; A188-G197 WeakPolarHBondContact O-CA 3.46Å; A188-F198 HydrophobicContact CB-CD1 4.23Å; A188-F198 HydrophobicContact CB-CE1 4.16Å |
| 189 | E | 66.6 | Low | 74.6 | Confident | 27 Ų | 27 | 30.9 Ų | 30.9 | 13% | 0.126 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -100.6 | 1.7 | -175 | -155.4 | 174.5 | -167.2 | 0 | 0 | 112.9 | D186 E191 F211 | D186-E189 WeakPolarHBondContact OD1-CB 3.42Å; D186-E189 PolarHBondContact OD1-N 2.92Å; D186-E189 VanDerWaalsContact OD1-N 3.16Å; E189-E191 WeakPolarHBondContact O-CA 3.33Å; E189-E191 PolarHBondContact O-N 3.09Å; E189-F211 WeakPolarHBondContact OE1-CZ 3.44Å |
| 190 | G | 67.8 | Low | 74.3 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | trans | -39.5 | 92 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S192 E193 L194 | G190-S192 PolarHBondContact O-N 2.77Å; G190-E193 PolarHBondContact O-N 3.44Å; G190-L194 PolarHBondContact O-N 2.82Å | ||
| 191 | E | 62.2 | Low | 74.1 | Confident | 128 Ų | 128 | 34 Ų | 34 | 60% | 0.598 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -55.8 | -33.7 | -170.8 | -62.1 | 178.3 | 177.7 | 0 | 0 | 112.8 | E189 V195 | E189-E191 WeakPolarHBondContact O-CA 3.33Å; E189-E191 PolarHBondContact O-N 3.09Å; E191-V195 WeakPolarHBondContact CA-O 3.37Å; E191-V195 WeakPolarHBondContact O-CA 3.45Å; E191-V195 PolarHBondContact O-N 2.87Å |
| 192 | S | 61 | Low | 74.2 | Confident | 104 Ų | 104 | 33.6 Ų | 33.6 | 73% | 0.727 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -74.2 | -25.3 | 179.2 | 52.7 | 0 | 0 | 0 | 0 | 114.2 | G190 | G190-S192 PolarHBondContact O-N 2.77Å |
| 193 | E | 57.6 | Low | 74.3 | Confident | 99 Ų | 99 | 33.6 Ų | 33.6 | 46% | 0.463 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -108.6 | -37.7 | -173 | -64.4 | 179.8 | -175.9 | 0 | 0 | 112.3 | R121 G190 | R121-E193 IonicContact CZ-OE2 3.27Å; R121-E193 VanDerWaalsContact CZ-OE2 3.27Å; R121-E193 IonicContact NH1-OE2 2.73Å; R121-E193 PolarHBondContact NH1-OE2 2.98Å; R121-E193 IonicContact NH2-OE2 2.83Å; R121-E193 PolarHBondContact NH2-OE2 3.25Å; G190-E193 PolarHBondContact O-N 3.44Å |
| 194 | L | 60.3 | Low | 74.8 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -128.2 | 9 | -168.2 | -62.6 | 174.7 | 0 | 0 | 0 | 113.1 | Y114 I117 G190 S196 G197 I200 | Y114-L194 HydrophobicContact CD1-CD2 4.31Å; I117-L194 HydrophobicContact CG2-CD2 4.28Å; G190-L194 PolarHBondContact O-N 2.82Å; L194-S196 PolarHBondContact O-N 3.24Å; L194-G197 PolarHBondContact O-N 3.28Å; L194-I200 WeakPolarHBondContact O-CD1 3.46Å |
| 195 | V | 69.1 | Low | 75.3 | Confident | 115 Ų | 115 | 33.6 Ų | 33.6 | 70% | 0.697 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63 | -56.8 | -175.3 | -174.5 | 0 | 0 | 0 | 0 | 113.1 | E191 | E191-V195 WeakPolarHBondContact CA-O 3.37Å; E191-V195 WeakPolarHBondContact O-CA 3.45Å; E191-V195 PolarHBondContact O-N 2.87Å |
| 196 | S | 69.4 | Low | 75.4 | Confident | 25 Ų | 25 | 34.4 Ų | 34.4 | 18% | 0.175 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -154.7 | 10.6 | 167.5 | 75.2 | 0 | 0 | 0 | 0 | 114.2 | L194 N199 I200 | L194-S196 PolarHBondContact O-N 3.24Å; S196-N199 WeakPolarHBondContact CB-OD1 3.48Å; S196-N199 PolarHBondContact O-OD1 3.08Å; S196-N199 PolarHBondContact OG-OD1 3.39Å; S196-I200 WeakPolarHBondContact OG-CA 3.42Å; S196-I200 VanDerWaalsContact OG-CG1 3.27Å; S196-I200 WeakPolarHBondContact OG-CG1 3.31Å; S196-I200 PolarHBondContact OG-N 3.2Å |
| 197 | G | 82.5 | Confident | 75.8 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | 75 | -131 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | A115 A188 L194 N199 I200 | A115-G197 WeakPolarHBondContact CA-O 3.4Å; A188-G197 WeakPolarHBondContact O-CA 3.46Å; L194-G197 PolarHBondContact O-N 3.28Å; G197-N199 PolarHBondContact O-N 2.97Å; G197-I200 WeakPolarHBondContact O-CD1 3.22Å; G197-I200 WeakPolarHBondContact O-CG1 3.35Å |
| 198 | F | 78.1 | Confident | 76.7 | Confident | 25 Ų | 25 | 36.9 Ų | 36.9 | 11% | 0.11 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -68.6 | -19.5 | -175.2 | 67.8 | -94.3 | 0 | 0 | 0 | 113.7 | I103 S106 A119 A188 F210 | I103-F198 HydrophobicContact CG2-CB 4.42Å; I103-F198 HydrophobicContact CG2-CD1 4.01Å; I103-F198 HydrophobicContact CG2-CD2 4.44Å; I103-F198 HydrophobicContact CG2-CE1 4.38Å; I103-F198 HydrophobicContact CG2-CG 4.04Å; S106-F198 WeakPolarHBondContact OG-CD2 3.39Å; A119-F198 HydrophobicContact CB-CB 3.89Å; A188-F198 HydrophobicContact CB-CD1 4.23Å; A188-F198 HydrophobicContact CB-CE1 4.16Å; F198-F210 AromaticContact CE2-CD1 3.96Å; F198-F210 HydrophobicContact CE2-CD1 3.96Å; F198-F210 HydrophobicContact CE2-CE1 4.2Å; F198-F210 HydrophobicContact CE2-CG 4.2Å |
| 199 | N | 83.8 | Confident | 78 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -98.9 | 6.2 | -174.8 | 72.1 | 15 | 0 | 0 | 0 | 114.2 | S196 G197 E201 Y202 | S196-N199 WeakPolarHBondContact CB-OD1 3.48Å; S196-N199 PolarHBondContact O-OD1 3.08Å; S196-N199 PolarHBondContact OG-OD1 3.39Å; G197-N199 PolarHBondContact O-N 2.97Å; N199-E201 PolarHBondContact O-N 3.25Å; N199-E201 VanDerWaalsContact O-N 3.09Å; N199-Y202 WeakPolarHBondContact O-CB 3.38Å; N199-Y202 PolarHBondContact O-N 3.16Å |
| 200 | I | 83.3 | Confident | 79.1 | Confident | 59 Ų | 59 | 37.9 Ų | 37.9 | 30% | 0.303 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -40.4 | -173 | -67.2 | 158.8 | 0 | 0 | 0 | 113.1 | L194 S196 G197 | L194-I200 WeakPolarHBondContact O-CD1 3.46Å; S196-I200 WeakPolarHBondContact OG-CA 3.42Å; S196-I200 VanDerWaalsContact OG-CG1 3.27Å; S196-I200 WeakPolarHBondContact OG-CG1 3.31Å; S196-I200 PolarHBondContact OG-N 3.2Å; G197-I200 WeakPolarHBondContact O-CD1 3.22Å; G197-I200 WeakPolarHBondContact O-CG1 3.35Å |
| 201 | E | 85.8 | Confident | 80.2 | Confident | 39 Ų | 39 | 39.1 Ų | 39.1 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -4.9 | -175.8 | -71.6 | -175.5 | -160.7 | 0 | 0 | 114 | P50 Y58 S110 S112 N199 | P50-E201 HydrophobicContact CG-CB 3.88Å; P50-E201 HydrophobicContact CG-CG 4.26Å; P50-E201 WeakPolarHBondContact CG-OE2 3.42Å; Y58-E201 HydrophobicContact CE2-CB 4.46Å; Y58-E201 PolarHBondContact OH-O 2.75Å; S110-E201 VanDerWaalsContact C-OE2 3.27Å; S110-E201 WeakPolarHBondContact CA-OE2 3.25Å; S110-E201 WeakPolarHBondContact CB-OE2 3.37Å; S110-E201 VanDerWaalsContact O-CD 3.27Å; S110-E201 VanDerWaalsContact O-OE1 3.13Å; S112-E201 WeakPolarHBondContact CB-OE1 3.41Å; S112-E201 PolarHBondContact OG-OE1 3.21Å; N199-E201 PolarHBondContact O-N 3.25Å; N199-E201 VanDerWaalsContact O-N 3.09Å |
| 202 | Y | 86.1 | Confident | 81.6 | Confident | 8 Ų | 8 | 34.8 Ų | 34.8 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | trans | -85.6 | 122.1 | 177.9 | -69.7 | -88.5 | 0 | 0 | 0 | 110.1 | Y58 P62 S106 N199 P206 F210 | Y58-Y202 AromaticContact CD1-CE1 3.93Å; Y58-Y202 HydrophobicContact CD1-CE1 3.93Å; Y58-Y202 HydrophobicContact CD2-CD1 4.36Å; Y58-Y202 AromaticContact CD2-CE1 3.6Å; Y58-Y202 HydrophobicContact CD2-CE1 3.6Å; Y58-Y202 HydrophobicContact CD2-CE2 4.18Å; Y58-Y202 AromaticContact CD2-CZ 3.49Å; Y58-Y202 VanDerWaalsContact CD2-CZ 3.49Å; Y58-Y202 WeakPolarHBondContact CD2-OH 3.38Å; Y58-Y202 AromaticContact CE1-CD1 3.91Å; Y58-Y202 HydrophobicContact CE1-CD1 3.91Å; Y58-Y202 AromaticContact CE1-CE1 3.75Å; Y58-Y202 HydrophobicContact CE1-CE1 3.75Å; Y58-Y202 AromaticContact CE2-CD1 3.72Å; Y58-Y202 HydrophobicContact CE2-CD1 3.72Å; Y58-Y202 HydrophobicContact CE2-CD2 4.17Å; Y58-Y202 AromaticContact CE2-CE1 3.42Å; Y58-Y202 HydrophobicContact CE2-CE1 3.42Å; Y58-Y202 VanDerWaalsContact CE2-CE1 3.42Å; Y58-Y202 AromaticContact CE2-CE2 3.91Å; Y58-Y202 HydrophobicContact CE2-CE2 3.91Å; Y58-Y202 HydrophobicContact CE2-CG 4.11Å; Y58-Y202 AromaticContact CE2-CZ 3.53Å; Y58-Y202 AromaticContact CG-CE1 3.85Å; Y58-Y202 HydrophobicContact CG-CE1 3.85Å; Y58-Y202 AromaticContact CZ-CD1 3.46Å; Y58-Y202 VanDerWaalsContact CZ-CD1 3.46Å; Y58-Y202 AromaticContact CZ-CE1 3.5Å; Y58-Y202 WeakPolarHBondContact O-CE1 3.46Å; Y58-Y202 WeakPolarHBondContact OH-CA 3.5Å; P62-Y202 HydrophobicContact CG-CD1 4.07Å; P62-Y202 HydrophobicContact CG-CE1 3.63Å; S106-Y202 WeakPolarHBondContact CA-OH 3.18Å; N199-Y202 WeakPolarHBondContact O-CB 3.38Å; N199-Y202 PolarHBondContact O-N 3.16Å; Y202-P206 HydrophobicContact CD1-CB 3.67Å; Y202-P206 HydrophobicContact CE1-CB 4.4Å; Y202-F210 HydrophobicContact CD1-CE2 4.02Å; Y202-F210 HydrophobicContact CD2-CE2 4.1Å; Y202-F210 AromaticContact CE1-CE2 3.96Å; Y202-F210 HydrophobicContact CE1-CE2 3.96Å; Y202-F210 HydrophobicContact CE2-CE2 4.05Å; Y202-F210 HydrophobicContact CG-CD2 4.4Å; Y202-F210 HydrophobicContact CG-CE2 4.06Å; Y202-F210 AromaticContact CZ-CE2 3.97Å | ||
| 203 | A | 85.5 | Confident | 83.1 | Confident | 14 Ų | 14 | 30 Ų | 30 | 12% | 0.116 | 16% | 0.163 | C | C | . | . | trans | -113.5 | 157.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L48 G205 P206 | L48-A203 HydrophobicContact CB-CB 3.75Å; L48-A203 HydrophobicContact CD1-CB 3.97Å; L48-A203 HydrophobicContact CG-CB 4.02Å; A203-G205 PolarHBondContact O-N 2.93Å; A203-P206 VanDerWaalsContact O-CD 3.3Å; A203-P206 WeakPolarHBondContact O-CD 3.3Å | ||
| 204 | A | 88 | Confident | 84.7 | Confident | 4 Ų | 4 | 27.1 Ų | 27.1 | 3% | 0.033 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | 56 | -118.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L42 K45 F207 A208 | L42-A204 CarbonylContact O-C 2.99Å; L42-A204 VanDerWaalsContact O-C 3.32Å; L42-A204 WeakPolarHBondContact O-CA 3.33Å; L42-A204 WeakPolarHBondContact O-CB 3.37Å; K45-A204 HydrophobicContact CB-CB 3.84Å; K45-A204 HydrophobicContact CD-CB 4.46Å; K45-A204 HydrophobicContact CG-CB 4.21Å; K45-A204 WeakPolarHBondContact O-CB 3.39Å; A204-F207 WeakPolarHBondContact O-CB 3.28Å; A204-A208 PolarHBondContact O-N 2.94Å |
| 205 | G | 89 | Confident | 86.2 | Confident | 13 Ų | 13 | 27.4 Ų | 27.4 | 13% | 0.134 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.7 | -55.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | L42 A203 F207 A208 L209 | L42-G205 PolarHBondContact O-N 3.16Å; A203-G205 PolarHBondContact O-N 2.93Å; G205-F207 VanDerWaalsContact C-N 3.25Å; G205-F207 PolarHBondContact O-N 3.36Å; G205-A208 WeakPolarHBondContact O-CA 3.28Å; G205-A208 VanDerWaalsContact O-CB 3.28Å; G205-A208 WeakPolarHBondContact O-CB 3.35Å; G205-A208 PolarHBondContact O-N 3.38Å; G205-L209 PolarHBondContact O-N 3.5Å; G205-L209 VanDerWaalsContact O-N 3.08Å |
| 206 | P | 89.8 | Confident | 87.4 | Confident | 36 Ų | 36 | 22.1 Ų | 22.1 | 23% | 0.234 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -54 | -38.9 | 175.9 | -31.9 | 36.6 | 0 | 0 | 0 | 114.3 | P62 Y202 A203 L209 | P62-P206 HydrophobicContact CG-CB 4.12Å; Y202-P206 HydrophobicContact CD1-CB 3.67Å; Y202-P206 HydrophobicContact CE1-CB 4.4Å; A203-P206 VanDerWaalsContact O-CD 3.3Å; A203-P206 WeakPolarHBondContact O-CD 3.3Å; P206-L209 PolarHBondContact O-N 2.94Å |
| 207 | F | 88.9 | Confident | 88.6 | Confident | 56 Ų | 56 | 22.5 Ų | 22.5 | 25% | 0.246 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.8 | -48.7 | 171.6 | 174.9 | -92.3 | 0 | 0 | 0 | 111.1 | L42 A204 G205 L209 F210 F211 | L42-F207 HydrophobicContact CD2-CD1 4.23Å; A204-F207 WeakPolarHBondContact O-CB 3.28Å; G205-F207 VanDerWaalsContact C-N 3.25Å; G205-F207 PolarHBondContact O-N 3.36Å; F207-L209 PolarHBondContact O-N 3.49Å; F207-F210 PolarHBondContact O-N 3Å; F207-F211 AromaticContact CD1-CD2 3.61Å; F207-F211 HydrophobicContact CD1-CD2 3.61Å; F207-F211 AromaticContact CD1-CE2 3.8Å; F207-F211 HydrophobicContact CD1-CE2 3.8Å; F207-F211 HydrophobicContact CD2-CD2 4.09Å; F207-F211 AromaticContact CD2-CE2 3.58Å; F207-F211 HydrophobicContact CD2-CE2 3.58Å; F207-F211 AromaticContact CE1-CD2 3.34Å; F207-F211 HydrophobicContact CE1-CD2 3.34Å; F207-F211 AromaticContact CE1-CE2 3.26Å; F207-F211 HydrophobicContact CE1-CE2 3.26Å; F207-F211 HydrophobicContact CE1-CG 4.24Å; F207-F211 AromaticContact CE1-CZ 3.96Å; F207-F211 HydrophobicContact CE1-CZ 3.96Å; F207-F211 AromaticContact CE2-CD2 3.9Å; F207-F211 HydrophobicContact CE2-CD2 3.9Å; F207-F211 AromaticContact CE2-CE2 3.05Å; F207-F211 HydrophobicContact CE2-CE2 3.05Å; F207-F211 AromaticContact CE2-CZ 3.72Å; F207-F211 HydrophobicContact CE2-CZ 3.72Å; F207-F211 AromaticContact CG-CD2 3.98Å; F207-F211 HydrophobicContact CG-CD2 3.98Å; F207-F211 AromaticContact CG-CE2 3.95Å; F207-F211 HydrophobicContact CG-CE2 3.95Å; F207-F211 AromaticContact CZ-CD2 3.53Å; F207-F211 HydrophobicContact CZ-CD2 3.53Å; F207-F211 HydrophobicContact CZ-CE1 4.37Å; F207-F211 AromaticContact CZ-CE2 2.87Å; F207-F211 HydrophobicContact CZ-CE2 2.87Å; F207-F211 AromaticContact CZ-CZ 3.33Å; F207-F211 HydrophobicContact CZ-CZ 3.33Å; F207-F211 WeakPolarHBondContact O-CD2 3.43Å; F207-F211 PolarHBondContact O-N 3.46Å |
| 208 | A | 90.6 | Very high | 89.1 | Confident | 5 Ų | 5 | 22.9 Ų | 22.9 | 4% | 0.041 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -55.2 | -37 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L42 A204 G205 F210 F211 M212 | L42-A208 HydrophobicContact CB-CB 4.19Å; L42-A208 HydrophobicContact CD1-CB 3.91Å; A204-A208 PolarHBondContact O-N 2.94Å; G205-A208 WeakPolarHBondContact O-CA 3.28Å; G205-A208 VanDerWaalsContact O-CB 3.28Å; G205-A208 WeakPolarHBondContact O-CB 3.35Å; G205-A208 PolarHBondContact O-N 3.38Å; A208-F210 PolarHBondContact O-N 3.06Å; A208-F211 PolarHBondContact O-N 3.22Å; A208-M212 HydrophobicContact CB-CE 4.05Å; A208-M212 VanDerWaalsContact O-CB 3.31Å; A208-M212 WeakPolarHBondContact O-CB 3.36Å; A208-M212 WeakPolarHBondContact O-CE 3.21Å; A208-M212 WeakPolarHBondContact O-CG 3.49Å; A208-M212 PolarHBondContact O-N 2.89Å |
| 209 | L | 92.2 | Very high | 90 | Very high | 38 Ų | 38 | 22.7 Ų | 22.7 | 20% | 0.199 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 176.9 | -67.1 | 171.4 | 0 | 0 | 0 | 112.9 | P62 T63 L66 G205 P206 F207 M212 A213 | P62-L209 HydrophobicContact CB-CB 3.78Å; P62-L209 HydrophobicContact CB-CD1 3.89Å; P62-L209 HydrophobicContact CB-CG 4.49Å; T63-L209 HydrophobicContact CG2-CD1 4.35Å; L66-L209 HydrophobicContact CD2-CD2 3.6Å; G205-L209 PolarHBondContact O-N 3.5Å; G205-L209 VanDerWaalsContact O-N 3.08Å; P206-L209 PolarHBondContact O-N 2.94Å; F207-L209 PolarHBondContact O-N 3.49Å; L209-M212 HydrophobicContact CD2-CE 3.84Å; L209-M212 HydrophobicContact CG-CE 4.41Å; L209-M212 PolarHBondContact O-N 2.98Å; L209-A213 WeakPolarHBondContact O-CB 3.32Å; L209-A213 PolarHBondContact O-N 3.16Å |
| 210 | F | 91 | Very high | 90.5 | Very high | 11 Ų | 11 | 22.5 Ų | 22.5 | 5% | 0.048 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.4 | -45 | 175.2 | -77.5 | -63.6 | 0 | 0 | 0 | 112.4 | A61 P62 A65 S106 F198 Y202 F207 A208 M212 A213 E214 | A61-F210 HydrophobicContact CB-CZ 4.29Å; P62-F210 HydrophobicContact CB-CD2 4.13Å; P62-F210 HydrophobicContact CB-CE2 3.79Å; P62-F210 HydrophobicContact CB-CZ 4.03Å; P62-F210 HydrophobicContact CG-CD2 4.28Å; P62-F210 HydrophobicContact CG-CE2 3.56Å; P62-F210 HydrophobicContact CG-CZ 3.9Å; A65-F210 HydrophobicContact CB-CD1 3.88Å; A65-F210 HydrophobicContact CB-CE1 3.83Å; S106-F210 VanDerWaalsContact CB-CZ 3.46Å; F198-F210 AromaticContact CE2-CD1 3.96Å; F198-F210 HydrophobicContact CE2-CD1 3.96Å; F198-F210 HydrophobicContact CE2-CE1 4.2Å; F198-F210 HydrophobicContact CE2-CG 4.2Å; Y202-F210 HydrophobicContact CD1-CE2 4.02Å; Y202-F210 HydrophobicContact CD2-CE2 4.1Å; Y202-F210 AromaticContact CE1-CE2 3.96Å; Y202-F210 HydrophobicContact CE1-CE2 3.96Å; Y202-F210 HydrophobicContact CE2-CE2 4.05Å; Y202-F210 HydrophobicContact CG-CD2 4.4Å; Y202-F210 HydrophobicContact CG-CE2 4.06Å; Y202-F210 AromaticContact CZ-CE2 3.97Å; F207-F210 PolarHBondContact O-N 3Å; A208-F210 PolarHBondContact O-N 3.06Å; F210-M212 VanDerWaalsContact C-N 3.34Å; F210-M212 PolarHBondContact O-N 3.27Å; F210-A213 PolarHBondContact O-N 2.9Å; F210-E214 PolarHBondContact O-N 3.32Å |
| 211 | F | 89 | Confident | 91.1 | Very high | 30 Ų | 30 | 20 Ų | 20 | 13% | 0.132 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.7 | -45.6 | 176.6 | -82.2 | -85.9 | 0 | 0 | 0 | 111.2 | M8 E189 F207 A208 A213 E214 Y215 | M8-F211 HydrophobicContact CE-CD1 4.48Å; E189-F211 WeakPolarHBondContact OE1-CZ 3.44Å; F207-F211 AromaticContact CD1-CD2 3.61Å; F207-F211 HydrophobicContact CD1-CD2 3.61Å; F207-F211 AromaticContact CD1-CE2 3.8Å; F207-F211 HydrophobicContact CD1-CE2 3.8Å; F207-F211 HydrophobicContact CD2-CD2 4.09Å; F207-F211 AromaticContact CD2-CE2 3.58Å; F207-F211 HydrophobicContact CD2-CE2 3.58Å; F207-F211 AromaticContact CE1-CD2 3.34Å; F207-F211 HydrophobicContact CE1-CD2 3.34Å; F207-F211 AromaticContact CE1-CE2 3.26Å; F207-F211 HydrophobicContact CE1-CE2 3.26Å; F207-F211 HydrophobicContact CE1-CG 4.24Å; F207-F211 AromaticContact CE1-CZ 3.96Å; F207-F211 HydrophobicContact CE1-CZ 3.96Å; F207-F211 AromaticContact CE2-CD2 3.9Å; F207-F211 HydrophobicContact CE2-CD2 3.9Å; F207-F211 AromaticContact CE2-CE2 3.05Å; F207-F211 HydrophobicContact CE2-CE2 3.05Å; F207-F211 AromaticContact CE2-CZ 3.72Å; F207-F211 HydrophobicContact CE2-CZ 3.72Å; F207-F211 AromaticContact CG-CD2 3.98Å; F207-F211 HydrophobicContact CG-CD2 3.98Å; F207-F211 AromaticContact CG-CE2 3.95Å; F207-F211 HydrophobicContact CG-CE2 3.95Å; F207-F211 AromaticContact CZ-CD2 3.53Å; F207-F211 HydrophobicContact CZ-CD2 3.53Å; F207-F211 HydrophobicContact CZ-CE1 4.37Å; F207-F211 AromaticContact CZ-CE2 2.87Å; F207-F211 HydrophobicContact CZ-CE2 2.87Å; F207-F211 AromaticContact CZ-CZ 3.33Å; F207-F211 HydrophobicContact CZ-CZ 3.33Å; F207-F211 WeakPolarHBondContact O-CD2 3.43Å; F207-F211 PolarHBondContact O-N 3.46Å; A208-F211 PolarHBondContact O-N 3.22Å; F211-A213 VanDerWaalsContact C-N 3.28Å; F211-A213 PolarHBondContact O-N 3.3Å; F211-E214 PolarHBondContact O-N 2.91Å; F211-Y215 HydrophobicContact CD1-CE2 4Å; F211-Y215 WeakPolarHBondContact O-CD2 3.31Å; F211-Y215 PolarHBondContact O-N 2.84Å |
| 212 | M | 91.7 | Very high | 91.5 | Very high | 36 Ų | 36 | 18.1 Ų | 18.1 | 18% | 0.177 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.4 | -44.9 | 176.5 | -73 | -167.3 | -83.7 | 0 | 0 | 111.1 | M4 F43 L66 A208 L209 F210 T216 | M4-M212 HydrophobicContact CE-CB 3.62Å; M4-M212 HydrophobicContact CE-CG 3.25Å; M4-M212 HydrophobicContact CE-SD 3.61Å; M4-M212 HydrophobicContact SD-CB 4.25Å; M4-M212 HydrophobicContact SD-CG 3.79Å; F43-M212 HydrophobicContact CZ-CE 3.99Å; L66-M212 HydrophobicContact CD1-CB 4.07Å; A208-M212 HydrophobicContact CB-CE 4.05Å; A208-M212 VanDerWaalsContact O-CB 3.31Å; A208-M212 WeakPolarHBondContact O-CB 3.36Å; A208-M212 WeakPolarHBondContact O-CE 3.21Å; A208-M212 WeakPolarHBondContact O-CG 3.49Å; A208-M212 PolarHBondContact O-N 2.89Å; L209-M212 HydrophobicContact CD2-CE 3.84Å; L209-M212 HydrophobicContact CG-CE 4.41Å; L209-M212 PolarHBondContact O-N 2.98Å; F210-M212 VanDerWaalsContact C-N 3.34Å; F210-M212 PolarHBondContact O-N 3.27Å; M212-T216 WeakPolarHBondContact O-CB 3.35Å; M212-T216 VanDerWaalsContact O-CG2 3.31Å; M212-T216 WeakPolarHBondContact O-CG2 3.35Å; M212-T216 PolarHBondContact O-N 3.47Å; M212-T216 PolarHBondContact O-OG1 2.87Å |
| 213 | A | 93.1 | Very high | 92 | Very high | 4 Ų | 4 | 17.9 Ų | 17.9 | 3% | 0.033 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.3 | -48.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A65 A69 L209 F210 F211 Y215 T216 N217 | A65-A213 HydrophobicContact CB-CB 3.97Å; A69-A213 HydrophobicContact CB-CB 4.09Å; L209-A213 WeakPolarHBondContact O-CB 3.32Å; L209-A213 PolarHBondContact O-N 3.16Å; F210-A213 PolarHBondContact O-N 2.9Å; F211-A213 VanDerWaalsContact C-N 3.28Å; F211-A213 PolarHBondContact O-N 3.3Å; A213-Y215 PolarHBondContact O-N 2.69Å; A213-T216 VanDerWaalsContact CA-OG1 3.27Å; A213-T216 WeakPolarHBondContact CA-OG1 3.2Å; A213-T216 PolarHBondContact O-N 3.45Å; A213-T216 PolarHBondContact O-OG1 2.7Å; A213-N217 VanDerWaalsContact O-CG 3.31Å; A213-N217 PolarHBondContact O-N 3.16Å |
| 214 | E | 91.4 | Very high | 92.5 | Very high | 38 Ų | 38 | 17.3 Ų | 17.3 | 18% | 0.178 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.6 | -48.7 | 179 | -169 | -161.3 | -175.4 | 0 | 0 | 111.2 | R182 F210 F211 T216 N217 I218 | R182-E214 IonicContact CZ-OE1 3.25Å; R182-E214 IonicContact CZ-OE2 2.77Å; R182-E214 IonicContact NE-OE1 3.37Å; R182-E214 PolarHBondContact NE-OE1 3.3Å; R182-E214 IonicContact NH1-OE1 3.55Å; R182-E214 PolarHBondContact NH1-OE1 2.8Å; R182-E214 IonicContact NH1-OE2 3.5Å; R182-E214 PolarHBondContact NH1-OE2 3.33Å; R182-E214 IonicContact NH2-OE1 3.18Å; R182-E214 PolarHBondContact NH2-OE1 2.92Å; R182-E214 IonicContact NH2-OE2 3.95Å; R182-E214 PolarHBondContact NH2-OE2 2.67Å; F210-E214 PolarHBondContact O-N 3.32Å; F211-E214 PolarHBondContact O-N 2.91Å; E214-T216 PolarHBondContact O-N 2.81Å; E214-N217 WeakPolarHBondContact O-CB 3.24Å; E214-N217 PolarHBondContact O-N 3.4Å; E214-N217 VanDerWaalsContact O-N 3.13Å; E214-I218 WeakPolarHBondContact O-CG1 3.21Å; E214-I218 PolarHBondContact O-N 2.81Å |
| 215 | Y | 92.2 | Very high | 92.9 | Very high | 14 Ų | 14 | 17.3 Ų | 17.3 | 6% | 0.055 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -67.6 | -34.7 | 178.1 | -77 | -66.9 | 0 | 0 | 0 | 113.5 | M4 L7 M8 E11 R182 F211 A213 N217 I218 I219 | M4-Y215 VanDerWaalsContact CG-CB 3.41Å; M4-Y215 HydrophobicContact CG-CG 4.39Å; L7-Y215 HydrophobicContact CD2-CD1 3.29Å; L7-Y215 HydrophobicContact CD2-CE1 3.59Å; L7-Y215 HydrophobicContact CD2-CG 4.33Å; M8-Y215 HydrophobicContact CE-CD2 4.37Å; M8-Y215 HydrophobicContact CE-CE2 3.71Å; M8-Y215 HydrophobicContact CG-CD2 3.93Å; M8-Y215 HydrophobicContact CG-CE2 3.82Å; M8-Y215 HydrophobicContact CG-CG 4.43Å; M8-Y215 HydrophobicContact SD-CD2 3.77Å; M8-Y215 HydrophobicContact SD-CE1 4.1Å; M8-Y215 HydrophobicContact SD-CE2 3.03Å; M8-Y215 WeakPolarHBondContact SD-CE2 3.48Å; M8-Y215 PolarHBondContact SD-OH 3.43Å; E11-Y215 WeakPolarHBondContact OE2-CE1 3.47Å; E11-Y215 VanDerWaalsContact OE2-CZ 3.29Å; E11-Y215 PolarHBondContact OE2-OH 3.23Å; R182-Y215 PolarHBondContact NH2-OH 2.87Å; F211-Y215 HydrophobicContact CD1-CE2 4Å; F211-Y215 WeakPolarHBondContact O-CD2 3.31Å; F211-Y215 PolarHBondContact O-N 2.84Å; A213-Y215 PolarHBondContact O-N 2.69Å; Y215-N217 VanDerWaalsContact C-N 3.29Å; Y215-I218 HydrophobicContact CD1-CD1 3.85Å; Y215-I218 HydrophobicContact CE1-CD1 4.23Å; Y215-I218 PolarHBondContact O-N 3.35Å; Y215-I219 WeakPolarHBondContact O-CG1 3.44Å; Y215-I219 PolarHBondContact O-N 3.39Å |
| 216 | T | 94.7 | Very high | 93.2 | Very high | 5 Ų | 5 | 16.7 Ų | 16.7 | 3% | 0.031 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.8 | -36.6 | 171.7 | 47.3 | 0 | 0 | 0 | 0 | 111.7 | M4 A69 M212 A213 E214 I219 M220 | M4-T216 HydrophobicContact CB-CG2 4Å; M4-T216 HydrophobicContact CG-CG2 4.27Å; A69-T216 VanDerWaalsContact CB-OG1 3.25Å; A69-T216 WeakPolarHBondContact CB-OG1 3.22Å; M212-T216 WeakPolarHBondContact O-CB 3.35Å; M212-T216 VanDerWaalsContact O-CG2 3.31Å; M212-T216 WeakPolarHBondContact O-CG2 3.35Å; M212-T216 PolarHBondContact O-N 3.47Å; M212-T216 PolarHBondContact O-OG1 2.87Å; A213-T216 VanDerWaalsContact CA-OG1 3.27Å; A213-T216 WeakPolarHBondContact CA-OG1 3.2Å; A213-T216 PolarHBondContact O-N 3.45Å; A213-T216 PolarHBondContact O-OG1 2.7Å; E214-T216 PolarHBondContact O-N 2.81Å; T216-I219 PolarHBondContact O-N 2.78Å; T216-M220 WeakPolarHBondContact O-CB 3.29Å; T216-M220 PolarHBondContact O-N 2.98Å |
| 217 | N | 94.1 | Very high | 93.4 | Very high | 33 Ų | 33 | 15.1 Ų | 15.1 | 18% | 0.176 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -67.1 | -36.8 | 175.5 | -72.6 | -14.8 | 0 | 0 | 0 | 111.9 | A69 A213 E214 Y215 M220 M221 | A69-N217 WeakPolarHBondContact CA-OD1 3.27Å; A69-N217 WeakPolarHBondContact CB-OD1 3.25Å; A213-N217 VanDerWaalsContact O-CG 3.31Å; A213-N217 PolarHBondContact O-N 3.16Å; E214-N217 WeakPolarHBondContact O-CB 3.24Å; E214-N217 PolarHBondContact O-N 3.4Å; E214-N217 VanDerWaalsContact O-N 3.13Å; Y215-N217 VanDerWaalsContact C-N 3.29Å; N217-M220 PolarHBondContact O-N 3.43Å; N217-M221 WeakPolarHBondContact O-CB 3.22Å; N217-M221 WeakPolarHBondContact O-CG 3.17Å; N217-M221 PolarHBondContact O-N 2.72Å |
| 218 | I | 94 | Very high | 93.7 | Very high | 7 Ų | 7 | 12.5 Ų | 12.5 | 4% | 0.036 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61 | -48.2 | 174.9 | -67.4 | 164.6 | 0 | 0 | 0 | 111.1 | T180 R182 E214 Y215 M220 N222 F257 | T180-I218 HydrophobicContact CG2-CG1 4.27Å; R182-I218 HydrophobicContact CG-CD1 3.86Å; R182-I218 HydrophobicContact CG-CG1 4.29Å; E214-I218 WeakPolarHBondContact O-CG1 3.21Å; E214-I218 PolarHBondContact O-N 2.81Å; Y215-I218 HydrophobicContact CD1-CD1 3.85Å; Y215-I218 HydrophobicContact CE1-CD1 4.23Å; Y215-I218 PolarHBondContact O-N 3.35Å; I218-M220 VanDerWaalsContact C-N 3.33Å; I218-N222 WeakPolarHBondContact O-CB 3.49Å; I218-N222 PolarHBondContact O-N 3.14Å; I218-N222 VanDerWaalsContact O-N 3.09Å; I218-N222 PolarHBondContact O-ND2 3.36Å; I218-F257 HydrophobicContact CG2-CD2 3.86Å; I218-F257 HydrophobicContact CG2-CE2 4.37Å |
| 219 | I | 95.4 | Very high | 93.9 | Very high | 22 Ų | 22 | 12.5 Ų | 12.5 | 11% | 0.113 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -66.1 | -43 | 179 | -55.1 | 168.9 | 0 | 0 | 0 | 109.3 | A3 M4 L7 W73 Y215 T216 N222 T223 | A3-I219 HydrophobicContact CB-CD1 4.32Å; M4-I219 HydrophobicContact CB-CD1 4.34Å; L7-I219 HydrophobicContact CB-CD1 4.33Å; L7-I219 HydrophobicContact CD1-CD1 3.68Å; L7-I219 HydrophobicContact CD1-CG1 3.32Å; W73-I219 HydrophobicContact CH2-CB 4.08Å; W73-I219 HydrophobicContact CH2-CG2 3.54Å; W73-I219 HydrophobicContact CZ2-CB 3.98Å; W73-I219 HydrophobicContact CZ2-CG2 3.99Å; Y215-I219 WeakPolarHBondContact O-CG1 3.44Å; Y215-I219 PolarHBondContact O-N 3.39Å; T216-I219 PolarHBondContact O-N 2.78Å; I219-N222 PolarHBondContact O-N 2.96Å; I219-T223 HydrophobicContact CG2-CG2 4.17Å; I219-T223 WeakPolarHBondContact O-CG2 3.26Å; I219-T223 PolarHBondContact O-N 3.15Å; I219-T223 PolarHBondContact O-OG1 3.42Å |
| 220 | M | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -60.5 | -48.3 | 180 | -176.7 | -81.3 | -60.5 | 0 | 0 | 112 | L72 W73 L76 T216 N217 I218 N222 T223 L224 | L72-M220 HydrophobicContact CB-CE 3.9Å; L72-M220 HydrophobicContact CB-CG 3.87Å; L72-M220 HydrophobicContact CB-SD 3.98Å; L72-M220 HydrophobicContact CD1-CE 3.56Å; L72-M220 HydrophobicContact CD2-CE 4.03Å; L72-M220 HydrophobicContact CD2-SD 4.27Å; L72-M220 HydrophobicContact CG-CE 4.03Å; W73-M220 HydrophobicContact CZ2-CB 3.99Å; L76-M220 HydrophobicContact CD1-CG 4.16Å; T216-M220 WeakPolarHBondContact O-CB 3.29Å; T216-M220 PolarHBondContact O-N 2.98Å; N217-M220 PolarHBondContact O-N 3.43Å; I218-M220 VanDerWaalsContact C-N 3.33Å; M220-N222 VanDerWaalsContact C-N 3.34Å; M220-N222 PolarHBondContact O-N 2.86Å; M220-T223 WeakPolarHBondContact CA-OG1 3.45Å; M220-T223 PolarHBondContact O-N 2.92Å; M220-T223 VanDerWaalsContact O-N 3.1Å; M220-T223 PolarHBondContact O-OG1 3.37Å; M220-L224 PolarHBondContact O-N 2.73Å |
| 221 | M | 94.9 | Very high | 93.9 | Very high | 7 Ų | 7 | 11.7 Ų | 11.7 | 3% | 0.034 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.2 | -42.2 | 176.8 | -71.4 | -55 | -176.1 | 0 | 0 | 111.6 | T176 E179 T180 N217 T223 L224 T225 | T176-M221 HydrophobicContact CG2-CB 4.46Å; T176-M221 HydrophobicContact CG2-SD 4.49Å; E179-M221 HydrophobicContact CG-CE 4.25Å; E179-M221 WeakPolarHBondContact OE1-CE 3.38Å; E179-M221 VanDerWaalsContact OE2-CE 3.26Å; E179-M221 WeakPolarHBondContact OE2-CE 3.5Å; T180-M221 HydrophobicContact CG2-CB 4.23Å; T180-M221 HydrophobicContact CG2-CG 3.77Å; N217-M221 WeakPolarHBondContact O-CB 3.22Å; N217-M221 WeakPolarHBondContact O-CG 3.17Å; N217-M221 PolarHBondContact O-N 2.72Å; M221-T223 VanDerWaalsContact C-N 3.33Å; M221-T223 PolarHBondContact O-N 3.36Å; M221-L224 WeakPolarHBondContact O-CB 3.37Å; M221-L224 PolarHBondContact O-N 2.82Å; M221-T225 WeakPolarHBondContact O-CG2 3.43Å; M221-T225 PolarHBondContact O-N 2.89Å |
| 222 | N | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -63.5 | -38.6 | 174.2 | -77.5 | -61.3 | 0 | 0 | 0 | 112 | I218 I219 M220 L224 T225 T226 L253 T254 F257 | I218-N222 WeakPolarHBondContact O-CB 3.49Å; I218-N222 PolarHBondContact O-N 3.14Å; I218-N222 VanDerWaalsContact O-N 3.09Å; I218-N222 PolarHBondContact O-ND2 3.36Å; I219-N222 PolarHBondContact O-N 2.96Å; M220-N222 VanDerWaalsContact C-N 3.34Å; M220-N222 PolarHBondContact O-N 2.86Å; N222-L224 VanDerWaalsContact C-N 3.33Å; N222-L224 PolarHBondContact O-N 3.36Å; N222-T225 WeakPolarHBondContact CA-OG1 3.43Å; N222-T225 PolarHBondContact O-N 3.06Å; N222-T225 PolarHBondContact O-OG1 3.41Å; N222-T226 PolarHBondContact O-N 3.05Å; N222-T226 PolarHBondContact O-OG1 2.97Å; N222-L253 HydrophobicContact CB-CB 4.36Å; N222-T254 HydrophobicContact CB-CG2 3.72Å; N222-F257 WeakPolarHBondContact OD1-CD1 3.37Å; N222-F257 VanDerWaalsContact OD1-CE1 3.22Å; N222-F257 WeakPolarHBondContact OD1-CE1 3.44Å |
| 223 | T | 95.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.012 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.9 | -40.7 | 173.6 | 60.6 | 0 | 0 | 0 | 0 | 111.7 | W73 L76 M78 I219 M220 M221 T226 T227 F246 T250 | W73-T223 HydrophobicContact CH2-CG2 4.24Å; W73-T223 HydrophobicContact CZ3-CG2 4.29Å; L76-T223 VanDerWaalsContact CD1-OG1 3.22Å; L76-T223 WeakPolarHBondContact CD1-OG1 3.43Å; M78-T223 HydrophobicContact CE-CG2 4.18Å; I219-T223 HydrophobicContact CG2-CG2 4.17Å; I219-T223 WeakPolarHBondContact O-CG2 3.26Å; I219-T223 PolarHBondContact O-N 3.15Å; I219-T223 PolarHBondContact O-OG1 3.42Å; M220-T223 WeakPolarHBondContact CA-OG1 3.45Å; M220-T223 PolarHBondContact O-N 2.92Å; M220-T223 VanDerWaalsContact O-N 3.1Å; M220-T223 PolarHBondContact O-OG1 3.37Å; M221-T223 VanDerWaalsContact C-N 3.33Å; M221-T223 PolarHBondContact O-N 3.36Å; T223-T226 WeakPolarHBondContact CA-OG1 3.35Å; T223-T226 PolarHBondContact O-N 3.34Å; T223-T226 PolarHBondContact O-OG1 3.3Å; T223-T227 WeakPolarHBondContact O-CG2 3.4Å; T223-T227 PolarHBondContact O-N 3.17Å; T223-F246 HydrophobicContact CG2-CE1 4.21Å; T223-F246 HydrophobicContact CG2-CZ 4.46Å; T223-T250 HydrophobicContact CG2-CG2 3.77Å |
| 224 | L | 95.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.6 | -43.7 | 176 | -171.9 | 121.2 | 0 | 0 | 0 | 111.7 | L76 L89 I92 W172 M220 M221 N222 T226 T227 I228 | L76-L224 HydrophobicContact CD2-CB 4.44Å; L76-L224 HydrophobicContact CD2-CD1 4.33Å; L89-L224 HydrophobicContact CD2-CD1 4.3Å; I92-L224 HydrophobicContact CB-CD1 4.46Å; I92-L224 HydrophobicContact CD1-CD1 3.23Å; I92-L224 HydrophobicContact CG1-CD1 4.39Å; I92-L224 HydrophobicContact CG2-CD1 3.79Å; W172-L224 HydrophobicContact CH2-CD2 3.55Å; W172-L224 HydrophobicContact CZ2-CD2 3.11Å; M220-L224 PolarHBondContact O-N 2.73Å; M221-L224 WeakPolarHBondContact O-CB 3.37Å; M221-L224 PolarHBondContact O-N 2.82Å; N222-L224 VanDerWaalsContact C-N 3.33Å; N222-L224 PolarHBondContact O-N 3.36Å; L224-T226 VanDerWaalsContact C-N 3.26Å; L224-T226 PolarHBondContact O-N 2.78Å; L224-T227 WeakPolarHBondContact CA-OG1 3.49Å; L224-T227 PolarHBondContact O-N 3.39Å; L224-T227 PolarHBondContact O-OG1 2.71Å; L224-I228 HydrophobicContact CD2-CD1 3.37Å; L224-I228 HydrophobicContact CG-CD1 3.74Å; L224-I228 HydrophobicContact CG-CG1 4.49Å; L224-I228 WeakPolarHBondContact O-CG1 3.12Å; L224-I228 PolarHBondContact O-N 3.45Å |
| 225 | T | 96.3 | Very high | 92.9 | Very high | 5 Ų | 5 | 19 Ų | 19 | 3% | 0.031 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -57.3 | -40.4 | 174.7 | 71.1 | 0 | 0 | 0 | 0 | 111.4 | T176 M221 N222 I228 F229 L253 | T176-T225 HydrophobicContact CG2-CG2 4.17Å; M221-T225 WeakPolarHBondContact O-CG2 3.43Å; M221-T225 PolarHBondContact O-N 2.89Å; N222-T225 WeakPolarHBondContact CA-OG1 3.43Å; N222-T225 PolarHBondContact O-N 3.06Å; N222-T225 PolarHBondContact O-OG1 3.41Å; T225-I228 PolarHBondContact O-N 2.92Å; T225-F229 PolarHBondContact O-N 3.27Å; T225-L253 WeakPolarHBondContact OG1-CD1 3.11Å |
| 226 | T | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.1 | -37.7 | 175.5 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | N222 T223 L224 I228 L230 G231 F246 K249 T250 L253 | N222-T226 PolarHBondContact O-N 3.05Å; N222-T226 PolarHBondContact O-OG1 2.97Å; T223-T226 WeakPolarHBondContact CA-OG1 3.35Å; T223-T226 PolarHBondContact O-N 3.34Å; T223-T226 PolarHBondContact O-OG1 3.3Å; L224-T226 VanDerWaalsContact C-N 3.26Å; L224-T226 PolarHBondContact O-N 2.78Å; T226-I228 VanDerWaalsContact C-N 3.34Å; T226-I228 PolarHBondContact O-N 3.37Å; T226-L230 CarbonylContact O-C 3.4Å; T226-L230 WeakPolarHBondContact O-CA 3.42Å; T226-L230 PolarHBondContact O-N 3.22Å; T226-G231 PolarHBondContact O-N 3.27Å; T226-F246 WeakPolarHBondContact OG1-CE2 3.26Å; T226-F246 VanDerWaalsContact OG1-CZ 3.31Å; T226-F246 WeakPolarHBondContact OG1-CZ 3.49Å; T226-K249 HydrophobicContact CG2-CB 3.94Å; T226-T250 HydrophobicContact CG2-CG2 3.83Å; T226-T250 VanDerWaalsContact OG1-CG2 3.23Å; T226-T250 WeakPolarHBondContact OG1-CG2 3.45Å; T226-L253 HydrophobicContact CG2-CD1 3.48Å; T226-L253 VanDerWaalsContact CG2-CD1 3.48Å; T226-L253 HydrophobicContact CG2-CG 4.31Å |
| 227 | T | 94.6 | Very high | 92 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65 | -37.9 | 176.2 | 59 | 0 | 0 | 0 | 0 | 112.3 | P77 Q156 T223 L224 F246 | P77-T227 HydrophobicContact CG-CG2 4.08Å; Q156-T227 PolarHBondContact NE2-O 3.14Å; T223-T227 WeakPolarHBondContact O-CG2 3.4Å; T223-T227 PolarHBondContact O-N 3.17Å; L224-T227 WeakPolarHBondContact CA-OG1 3.49Å; L224-T227 PolarHBondContact O-N 3.39Å; L224-T227 PolarHBondContact O-OG1 2.71Å; T227-F246 HydrophobicContact CG2-CE2 3.45Å; T227-F246 VanDerWaalsContact CG2-CE2 3.45Å; T227-F246 HydrophobicContact CG2-CZ 3.63Å |
| 228 | I | 94.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -80.7 | -43 | -174.9 | -63.2 | 161.4 | 0 | 0 | 0 | 111.8 | L137 T140 L152 Q156 L161 W172 L224 T225 T226 | L137-I228 HydrophobicContact CD2-CD1 3.51Å; L137-I228 HydrophobicContact CD2-CG1 4.35Å; T140-I228 HydrophobicContact CG2-CG2 4.28Å; L152-I228 HydrophobicContact CD1-CG1 4.3Å; Q156-I228 PolarHBondContact NE2-O 3.05Å; Q156-I228 PolarHBondContact OE1-O 3.35Å; L161-I228 VanDerWaalsContact CB-O 3.29Å; L161-I228 WeakPolarHBondContact CB-O 3.39Å; L161-I228 HydrophobicContact CD2-CG2 4.34Å; L161-I228 WeakPolarHBondContact CD2-O 3.38Å; W172-I228 HydrophobicContact CH2-CD1 4.23Å; W172-I228 HydrophobicContact CZ2-CD1 4.04Å; L224-I228 HydrophobicContact CD2-CD1 3.37Å; L224-I228 HydrophobicContact CG-CD1 3.74Å; L224-I228 HydrophobicContact CG-CG1 4.49Å; L224-I228 WeakPolarHBondContact O-CG1 3.12Å; L224-I228 PolarHBondContact O-N 3.45Å; T225-I228 PolarHBondContact O-N 2.92Å; T226-I228 VanDerWaalsContact C-N 3.34Å; T226-I228 PolarHBondContact O-N 3.37Å |
| 229 | F | 95.4 | Very high | 91.5 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -111.5 | -29.1 | -169.9 | -65.7 | -72.5 | 0 | 0 | 0 | 114.9 | T140 Q156 L161 L162 S165 A169 W172 T225 | T140-F229 HydrophobicContact CG2-CE1 3.65Å; T140-F229 HydrophobicContact CG2-CZ 3.66Å; Q156-F229 PolarHBondContact OE1-O 3.33Å; L161-F229 HydrophobicContact CB-CD1 4.46Å; L161-F229 HydrophobicContact CD2-CD1 4.19Å; L161-F229 HydrophobicContact CD2-CE1 4.24Å; L161-F229 PolarHBondContact N-O 2.83Å; L162-F229 HydrophobicContact CB-CB 4.14Å; L162-F229 WeakPolarHBondContact CB-O 3.44Å; L162-F229 HydrophobicContact CD1-CB 4.49Å; L162-F229 PolarHBondContact N-O 2.71Å; L162-F229 VanDerWaalsContact N-O 3.08Å; S165-F229 WeakPolarHBondContact OG-CE1 3.29Å; A169-F229 HydrophobicContact CB-CD1 3.58Å; A169-F229 HydrophobicContact CB-CD2 4.32Å; A169-F229 HydrophobicContact CB-CE1 3.67Å; A169-F229 HydrophobicContact CB-CE2 4.42Å; A169-F229 HydrophobicContact CB-CG 3.91Å; A169-F229 HydrophobicContact CB-CZ 4.09Å; W172-F229 HydrophobicContact CB-CE2 3.72Å; W172-F229 HydrophobicContact CB-CZ 3.98Å; W172-F229 AromaticContact CD1-CD2 3.97Å; W172-F229 AromaticContact CD1-CE2 3.46Å; W172-F229 VanDerWaalsContact CD1-CE2 3.46Å; W172-F229 AromaticContact CD2-CE2 3.92Å; W172-F229 HydrophobicContact CD2-CE2 3.92Å; W172-F229 HydrophobicContact CG-CD2 4.3Å; W172-F229 AromaticContact CG-CE2 3.37Å; W172-F229 HydrophobicContact CG-CE2 3.37Å; W172-F229 HydrophobicContact CG-CZ 4.07Å; T225-F229 PolarHBondContact O-N 3.27Å |
| 230 | L | 94 | Very high | 91.2 | Very high | 30 Ų | 30 | 37.4 Ų | 37.4 | 16% | 0.157 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -122.9 | 44.6 | -171.4 | -65.8 | 175.2 | 0 | 0 | 0 | 111.7 | W160 L162 T226 K249 L253 | W160-L230 HydrophobicContact CD2-CD2 4.29Å; W160-L230 HydrophobicContact CE3-CD2 3.96Å; W160-L230 HydrophobicContact CZ3-CD2 4.43Å; L162-L230 HydrophobicContact CB-CD2 4.21Å; L162-L230 HydrophobicContact CD1-CD2 3.89Å; L162-L230 HydrophobicContact CD1-CG 4.26Å; T226-L230 CarbonylContact O-C 3.4Å; T226-L230 WeakPolarHBondContact O-CA 3.42Å; T226-L230 PolarHBondContact O-N 3.22Å; L230-K249 HydrophobicContact CB-CD 4.23Å; L230-K249 WeakPolarHBondContact O-CD 3.5Å; L230-K249 PolarHBondContact O-NZ 3.37Å; L230-L253 HydrophobicContact CD1-CD1 4.15Å; L230-L253 HydrophobicContact CD1-CD2 4.49Å; L230-L253 HydrophobicContact CD1-CG 4.49Å |
| 231 | G | 88.6 | Confident | 91 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | trans | -48.3 | 149.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q156 W160 T226 K249 | Q156-G231 VanDerWaalsContact OE1-CA 3.29Å; W160-G231 PolarHBondContact NE1-O 2.64Å; T226-G231 PolarHBondContact O-N 3.27Å; G231-K249 PolarHBondContact O-NZ 3.04Å | ||
| 232 | T | 88.6 | Confident | 90.9 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | trans | -112.1 | 146.3 | 175.3 | 52.7 | 0 | 0 | 0 | 0 | 108.6 | Y234 Y242 K249 | T232-Y234 PolarHBondContact O-N 3.07Å; T232-Y242 VanDerWaalsContact O-CE2 3.25Å; T232-Y242 WeakPolarHBondContact O-CE2 3.43Å; T232-Y242 WeakPolarHBondContact OG1-CD2 3.13Å; T232-Y242 WeakPolarHBondContact OG1-CE2 3.44Å; T232-K249 HydrophobicContact CG2-CD 3.71Å | ||
| 233 | T | 83.9 | Confident | 90.8 | Very high | 91 Ų | 91 | 43.1 Ų | 43.1 | 56% | 0.558 | 24% | 0.239 | S | C | * | . | P | Polyproline II helix | trans | -65.2 | 129.1 | 178.1 | 48.8 | 0 | 0 | 0 | 0 | 109.2 | ||
| 234 | Y | 87.1 | Confident | 90.6 | Very high | 90 Ų | 90 | 46.5 Ų | 46.5 | 35% | 0.353 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -90.8 | 116.6 | 176.1 | 176.7 | -105.1 | 0 | 0 | 0 | 109.6 | P79 T232 A236 P239 Y242 | P79-Y234 HydrophobicContact CB-CD2 3.61Å; P79-Y234 HydrophobicContact CB-CE2 3.6Å; P79-Y234 HydrophobicContact CG-CD2 4.16Å; P79-Y234 HydrophobicContact CG-CE2 3.72Å; T232-Y234 PolarHBondContact O-N 3.07Å; Y234-A236 HydrophobicContact CE1-CB 4.06Å; Y234-P239 HydrophobicContact CE2-CB 4.4Å; Y234-Y242 HydrophobicContact CD2-CD2 4.37Å |
| 235 | D | 84.2 | Confident | 90.6 | Very high | 74 Ų | 74 | 52.6 Ų | 52.6 | 40% | 0.396 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -103.9 | 120.6 | 167.7 | 180 | 18.3 | 0 | 0 | 0 | 109 | L237 S238 | D235-L237 PolarHBondContact O-N 3.41Å; D235-L237 PolarHBondContact OD1-N 3.4Å; D235-S238 CarbonylContact O-C 3.39Å; D235-S238 PolarHBondContact O-N 3.04Å; D235-S238 VanDerWaalsContact O-N 3.15Å; D235-S238 PolarHBondContact OD2-OG 3.42Å |
| 236 | A | 83 | Confident | 90.5 | Very high | 72 Ų | 72 | 52.3 Ų | 52.3 | 60% | 0.595 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -26 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y234 S238 | Y234-A236 HydrophobicContact CE1-CB 4.06Å; A236-S238 VanDerWaalsContact C-N 3.33Å |
| 237 | L | 86.3 | Confident | 90.5 | Very high | 161 Ų | 161 | 55.2 Ų | 55.2 | 84% | 0.843 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -24.6 | 178.1 | -68 | 168.9 | 0 | 0 | 0 | 112.3 | D235 | D235-L237 PolarHBondContact O-N 3.41Å; D235-L237 PolarHBondContact OD1-N 3.4Å |
| 238 | S | 88.3 | Confident | 90.5 | Very high | 30 Ų | 30 | 58.6 Ų | 58.6 | 21% | 0.21 | 32% | 0.32 | C | S | . | . | trans | -140.2 | 66.6 | -171.7 | 61.7 | 0 | 0 | 0 | 0 | 112 | D235 A236 E240 L241 | D235-S238 CarbonylContact O-C 3.39Å; D235-S238 PolarHBondContact O-N 3.04Å; D235-S238 VanDerWaalsContact O-N 3.15Å; D235-S238 PolarHBondContact OD2-OG 3.42Å; A236-S238 VanDerWaalsContact C-N 3.33Å; S238-E240 PolarHBondContact O-N 2.88Å; S238-L241 WeakPolarHBondContact O-CB 3.45Å; S238-L241 PolarHBondContact O-N 3.19Å; S238-L241 VanDerWaalsContact OG-CD1 3.31Å; S238-L241 WeakPolarHBondContact OG-CD1 3.22Å | ||
| 239 | P | 87.4 | Confident | 90.5 | Very high | 53 Ų | 53 | 60.2 Ų | 60.2 | 34% | 0.344 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.6 | -24 | -178.1 | 25.9 | -35.2 | 0 | 0 | 0 | 112.9 | P79 Y234 L241 Y242 T243 | P79-P239 HydrophobicContact CG-CB 3.88Å; Y234-P239 HydrophobicContact CE2-CB 4.4Å; P239-L241 VanDerWaalsContact C-N 3.3Å; P239-L241 PolarHBondContact O-N 3.49Å; P239-Y242 WeakPolarHBondContact O-CB 3.31Å; P239-Y242 PolarHBondContact O-N 3.44Å; P239-T243 PolarHBondContact O-N 2.92Å |
| 240 | E | 90.5 | Very high | 90.5 | Very high | 152 Ų | 152 | 60.4 Ų | 60.4 | 71% | 0.71 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.2 | -35.7 | 175.4 | -62.6 | 178.1 | -178.2 | 0 | 0 | 112.2 | S238 Y242 T243 T244 | S238-E240 PolarHBondContact O-N 2.88Å; E240-Y242 VanDerWaalsContact C-N 3.32Å; E240-Y242 PolarHBondContact O-N 3.27Å; E240-T243 PolarHBondContact O-N 3.09Å; E240-T243 VanDerWaalsContact O-N 3.15Å; E240-T243 PolarHBondContact O-OG1 2.67Å; E240-T244 WeakPolarHBondContact O-CG2 3.41Å; E240-T244 PolarHBondContact O-N 3.16Å; E240-T244 PolarHBondContact O-OG1 3.23Å |
| 241 | L | 90.9 | Very high | 90.6 | Very high | 84 Ų | 84 | 63.9 Ų | 63.9 | 44% | 0.44 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 177.3 | -67.7 | -175.8 | 0 | 0 | 0 | 111.2 | S238 P239 T243 T244 Y245 | S238-L241 WeakPolarHBondContact O-CB 3.45Å; S238-L241 PolarHBondContact O-N 3.19Å; S238-L241 VanDerWaalsContact OG-CD1 3.31Å; S238-L241 WeakPolarHBondContact OG-CD1 3.22Å; P239-L241 VanDerWaalsContact C-N 3.3Å; P239-L241 PolarHBondContact O-N 3.49Å; L241-T243 VanDerWaalsContact C-N 3.34Å; L241-T243 PolarHBondContact O-N 3.43Å; L241-T244 WeakPolarHBondContact CA-OG1 3.49Å; L241-T244 PolarHBondContact O-N 3.01Å; L241-T244 PolarHBondContact O-OG1 3.35Å; L241-Y245 HydrophobicContact CB-CD2 4.47Å; L241-Y245 HydrophobicContact CB-CE2 4.27Å; L241-Y245 WeakPolarHBondContact O-CD2 3.49Å; L241-Y245 PolarHBondContact O-N 2.91Å |
| 242 | Y | 91.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 69.4 Ų | 69.4 | 0% | 0.004 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -56 | -51 | 172.8 | -179.9 | -80.9 | 0 | 0 | 0 | 110.6 | P79 I153 T232 Y234 P239 E240 T244 Y245 F246 | P79-Y242 HydrophobicContact CB-CD1 3.51Å; P79-Y242 HydrophobicContact CB-CD2 4.38Å; P79-Y242 HydrophobicContact CB-CE1 3.97Å; P79-Y242 HydrophobicContact CB-CG 3.78Å; P79-Y242 HydrophobicContact CG-CD1 4.29Å; I153-Y242 HydrophobicContact CD1-CE1 4.43Å; I153-Y242 HydrophobicContact CD1-CE2 3.88Å; I153-Y242 WeakPolarHBondContact CD1-OH 3.31Å; I153-Y242 HydrophobicContact CG1-CE2 4.13Å; I153-Y242 WeakPolarHBondContact CG1-OH 3Å; I153-Y242 HydrophobicContact CG2-CD2 4.48Å; I153-Y242 HydrophobicContact CG2-CE2 3.7Å; T232-Y242 VanDerWaalsContact O-CE2 3.25Å; T232-Y242 WeakPolarHBondContact O-CE2 3.43Å; T232-Y242 WeakPolarHBondContact OG1-CD2 3.13Å; T232-Y242 WeakPolarHBondContact OG1-CE2 3.44Å; Y234-Y242 HydrophobicContact CD2-CD2 4.37Å; P239-Y242 WeakPolarHBondContact O-CB 3.31Å; P239-Y242 PolarHBondContact O-N 3.44Å; E240-Y242 VanDerWaalsContact C-N 3.32Å; E240-Y242 PolarHBondContact O-N 3.27Å; Y242-T244 VanDerWaalsContact C-N 3.33Å; Y242-T244 PolarHBondContact O-N 3.16Å; Y242-Y245 PolarHBondContact O-N 2.85Å; Y242-F246 HydrophobicContact CD1-CB 4.32Å; Y242-F246 HydrophobicContact CE1-CB 4.07Å; Y242-F246 HydrophobicContact CE1-CD2 4.3Å; Y242-F246 HydrophobicContact CE1-CG 4.21Å; Y242-F246 WeakPolarHBondContact O-CB 3.2Å; Y242-F246 PolarHBondContact O-N 3Å |
| 243 | T | 93 | Very high | 91.3 | Very high | 43 Ų | 43 | 70.3 Ų | 70.3 | 26% | 0.264 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | -177.8 | 65.1 | 0 | 0 | 0 | 0 | 112.6 | P79 P239 E240 L241 F246 V247 | P79-T243 VanDerWaalsContact CD-CG2 3.45Å; P239-T243 PolarHBondContact O-N 2.92Å; E240-T243 PolarHBondContact O-N 3.09Å; E240-T243 VanDerWaalsContact O-N 3.15Å; E240-T243 PolarHBondContact O-OG1 2.67Å; L241-T243 VanDerWaalsContact C-N 3.34Å; L241-T243 PolarHBondContact O-N 3.43Å; T243-F246 PolarHBondContact O-N 3.46Å; T243-V247 VanDerWaalsContact O-CB 3.32Å; T243-V247 WeakPolarHBondContact O-CB 3.17Å; T243-V247 WeakPolarHBondContact O-CG2 3.08Å; T243-V247 PolarHBondContact O-N 3.26Å |
| 244 | T | 93 | Very high | 91.7 | Very high | 72 Ų | 72 | 66.5 Ų | 66.5 | 44% | 0.442 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.7 | -44.3 | -179.7 | 56 | 0 | 0 | 0 | 0 | 112 | E240 L241 Y242 F246 T248 | E240-T244 WeakPolarHBondContact O-CG2 3.41Å; E240-T244 PolarHBondContact O-N 3.16Å; E240-T244 PolarHBondContact O-OG1 3.23Å; L241-T244 WeakPolarHBondContact CA-OG1 3.49Å; L241-T244 PolarHBondContact O-N 3.01Å; L241-T244 PolarHBondContact O-OG1 3.35Å; Y242-T244 VanDerWaalsContact C-N 3.33Å; Y242-T244 PolarHBondContact O-N 3.16Å; T244-F246 VanDerWaalsContact C-N 3.35Å; T244-T248 WeakPolarHBondContact O-CB 3.34Å; T244-T248 VanDerWaalsContact O-CG2 3.27Å; T244-T248 WeakPolarHBondContact O-CG2 3.19Å; T244-T248 PolarHBondContact O-N 3.25Å; T244-T248 PolarHBondContact O-OG1 3.01Å |
| 245 | Y | 93.9 | Very high | 92 | Very high | 130 Ų | 130 | 64.5 Ų | 64.5 | 51% | 0.51 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.4 | -38.8 | 174.7 | -69.3 | -55.2 | 0 | 0 | 0 | 112.2 | L241 Y242 T248 K249 | L241-Y245 HydrophobicContact CB-CD2 4.47Å; L241-Y245 HydrophobicContact CB-CE2 4.27Å; L241-Y245 WeakPolarHBondContact O-CD2 3.49Å; L241-Y245 PolarHBondContact O-N 2.91Å; Y242-Y245 PolarHBondContact O-N 2.85Å; Y245-T248 WeakPolarHBondContact CA-OG1 3.34Å; Y245-T248 PolarHBondContact O-OG1 3.35Å; Y245-K249 WeakPolarHBondContact O-CB 3.43Å; Y245-K249 VanDerWaalsContact O-CG 3.3Å; Y245-K249 WeakPolarHBondContact O-CG 3.38Å; Y245-K249 PolarHBondContact O-N 3.32Å; Y245-K249 VanDerWaalsContact O-N 3.08Å |
| 246 | F | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.1 | -52.5 | 176.8 | -177.7 | -99 | 0 | 0 | 0 | 110.6 | M78 T223 T226 T227 Y242 T243 T244 T248 K249 T250 | M78-F246 HydrophobicContact CE-CD1 4.38Å; M78-F246 HydrophobicContact CE-CE1 3.7Å; M78-F246 HydrophobicContact CG-CD1 3.94Å; M78-F246 HydrophobicContact CG-CE1 3.75Å; M78-F246 HydrophobicContact SD-CD1 3.86Å; M78-F246 HydrophobicContact SD-CE1 3.76Å; T223-F246 HydrophobicContact CG2-CE1 4.21Å; T223-F246 HydrophobicContact CG2-CZ 4.46Å; T226-F246 WeakPolarHBondContact OG1-CE2 3.26Å; T226-F246 VanDerWaalsContact OG1-CZ 3.31Å; T226-F246 WeakPolarHBondContact OG1-CZ 3.49Å; T227-F246 HydrophobicContact CG2-CE2 3.45Å; T227-F246 VanDerWaalsContact CG2-CE2 3.45Å; T227-F246 HydrophobicContact CG2-CZ 3.63Å; Y242-F246 HydrophobicContact CD1-CB 4.32Å; Y242-F246 HydrophobicContact CE1-CB 4.07Å; Y242-F246 HydrophobicContact CE1-CD2 4.3Å; Y242-F246 HydrophobicContact CE1-CG 4.21Å; Y242-F246 WeakPolarHBondContact O-CB 3.2Å; Y242-F246 PolarHBondContact O-N 3Å; T243-F246 PolarHBondContact O-N 3.46Å; T244-F246 VanDerWaalsContact C-N 3.35Å; F246-T248 PolarHBondContact O-N 3.42Å; F246-K249 PolarHBondContact O-N 2.88Å; F246-T250 HydrophobicContact CD1-CG2 3.9Å; F246-T250 HydrophobicContact CE1-CG2 3.64Å; F246-T250 HydrophobicContact CE2-CG2 4.35Å; F246-T250 HydrophobicContact CG-CG2 4.36Å; F246-T250 HydrophobicContact CZ-CG2 3.89Å; F246-T250 WeakPolarHBondContact O-CG2 3.27Å; F246-T250 PolarHBondContact O-N 3.26Å |
| 247 | V | 94.9 | Very high | 92.9 | Very high | 60 Ų | 60 | 60.9 Ų | 60.9 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 179.5 | 171.6 | 0 | 0 | 0 | 0 | 112.2 | T243 T250 L251 | T243-V247 VanDerWaalsContact O-CB 3.32Å; T243-V247 WeakPolarHBondContact O-CB 3.17Å; T243-V247 WeakPolarHBondContact O-CG2 3.08Å; T243-V247 PolarHBondContact O-N 3.26Å; V247-T250 PolarHBondContact O-N 3.07Å; V247-T250 PolarHBondContact O-OG1 3.26Å; V247-L251 HydrophobicContact CG1-CD1 3.93Å; V247-L251 HydrophobicContact CG1-CG 4.29Å; V247-L251 WeakPolarHBondContact O-CB 3.23Å; V247-L251 VanDerWaalsContact O-CG 3.23Å; V247-L251 WeakPolarHBondContact O-CG 3.41Å; V247-L251 PolarHBondContact O-N 3.24Å |
| 248 | T | 94.9 | Very high | 93.2 | Very high | 73 Ų | 73 | 53.8 Ų | 53.8 | 45% | 0.448 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 177 | 49.8 | 0 | 0 | 0 | 0 | 112.1 | T244 Y245 F246 L251 L252 | T244-T248 WeakPolarHBondContact O-CB 3.34Å; T244-T248 VanDerWaalsContact O-CG2 3.27Å; T244-T248 WeakPolarHBondContact O-CG2 3.19Å; T244-T248 PolarHBondContact O-N 3.25Å; T244-T248 PolarHBondContact O-OG1 3.01Å; Y245-T248 WeakPolarHBondContact CA-OG1 3.34Å; Y245-T248 PolarHBondContact O-OG1 3.35Å; F246-T248 PolarHBondContact O-N 3.42Å; T248-L251 PolarHBondContact O-N 2.93Å; T248-L252 PolarHBondContact O-N 3.14Å |
| 249 | K | 95.8 | Very high | 93.4 | Very high | 36 Ų | 36 | 58.8 Ų | 58.8 | 16% | 0.157 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 173.1 | -73 | 173.7 | 169.6 | -171.1 | 0 | 112 | T226 L230 G231 T232 Y245 F246 L251 L252 L253 | T226-K249 HydrophobicContact CG2-CB 3.94Å; L230-K249 HydrophobicContact CB-CD 4.23Å; L230-K249 WeakPolarHBondContact O-CD 3.5Å; L230-K249 PolarHBondContact O-NZ 3.37Å; G231-K249 PolarHBondContact O-NZ 3.04Å; T232-K249 HydrophobicContact CG2-CD 3.71Å; Y245-K249 WeakPolarHBondContact O-CB 3.43Å; Y245-K249 VanDerWaalsContact O-CG 3.3Å; Y245-K249 WeakPolarHBondContact O-CG 3.38Å; Y245-K249 PolarHBondContact O-N 3.32Å; Y245-K249 VanDerWaalsContact O-N 3.08Å; F246-K249 PolarHBondContact O-N 2.88Å; K249-L251 VanDerWaalsContact C-N 3.34Å; K249-L251 PolarHBondContact O-N 2.83Å; K249-L252 PolarHBondContact O-N 2.96Å; K249-L253 PolarHBondContact O-N 3.43Å |
| 250 | T | 95.7 | Very high | 93.6 | Very high | 9 Ų | 9 | 57.1 Ų | 57.1 | 6% | 0.055 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 178.6 | 73 | 0 | 0 | 0 | 0 | 110.5 | T223 T226 F246 V247 L252 L253 T254 | T223-T250 HydrophobicContact CG2-CG2 3.77Å; T226-T250 HydrophobicContact CG2-CG2 3.83Å; T226-T250 VanDerWaalsContact OG1-CG2 3.23Å; T226-T250 WeakPolarHBondContact OG1-CG2 3.45Å; F246-T250 HydrophobicContact CD1-CG2 3.9Å; F246-T250 HydrophobicContact CE1-CG2 3.64Å; F246-T250 HydrophobicContact CE2-CG2 4.35Å; F246-T250 HydrophobicContact CG-CG2 4.36Å; F246-T250 HydrophobicContact CZ-CG2 3.89Å; F246-T250 WeakPolarHBondContact O-CG2 3.27Å; F246-T250 PolarHBondContact O-N 3.26Å; V247-T250 PolarHBondContact O-N 3.07Å; V247-T250 PolarHBondContact O-OG1 3.26Å; T250-L252 PolarHBondContact O-N 3.04Å; T250-L253 PolarHBondContact O-N 3.27Å; T250-T254 WeakPolarHBondContact O-CG2 3.49Å; T250-T254 PolarHBondContact O-N 2.83Å; T250-T254 PolarHBondContact O-OG1 2.73Å |
| 251 | L | 95.3 | Very high | 93.6 | Very high | 104 Ų | 104 | 52.8 Ų | 52.8 | 55% | 0.545 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 175.5 | -73.5 | 172.1 | 0 | 0 | 0 | 111.9 | V247 T248 K249 T254 S255 | V247-L251 HydrophobicContact CG1-CD1 3.93Å; V247-L251 HydrophobicContact CG1-CG 4.29Å; V247-L251 WeakPolarHBondContact O-CB 3.23Å; V247-L251 VanDerWaalsContact O-CG 3.23Å; V247-L251 WeakPolarHBondContact O-CG 3.41Å; V247-L251 PolarHBondContact O-N 3.24Å; T248-L251 PolarHBondContact O-N 2.93Å; K249-L251 VanDerWaalsContact C-N 3.34Å; K249-L251 PolarHBondContact O-N 2.83Å; L251-T254 WeakPolarHBondContact CA-OG1 3.29Å; L251-T254 PolarHBondContact O-N 3.04Å; L251-T254 PolarHBondContact O-OG1 3.42Å; L251-S255 PolarHBondContact O-N 2.94Å |
| 252 | L | 95.7 | Very high | 93.4 | Very high | 117 Ų | 117 | 50.9 Ų | 50.9 | 61% | 0.613 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59 | -47.3 | 173.9 | -88.2 | 164.2 | 0 | 0 | 0 | 111.9 | T248 K249 T250 S255 L256 | T248-L252 PolarHBondContact O-N 3.14Å; K249-L252 PolarHBondContact O-N 2.96Å; T250-L252 PolarHBondContact O-N 3.04Å; L252-S255 PolarHBondContact O-N 3.36Å; L252-S255 PolarHBondContact O-OG 3.19Å; L252-L256 PolarHBondContact O-N 3.33Å |
| 253 | L | 95.4 | Very high | 93.3 | Very high | 24 Ų | 24 | 53.4 Ų | 53.4 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 177.3 | -69.8 | -176.3 | 0 | 0 | 0 | 112.8 | F173 N222 T225 T226 L230 K249 T250 S255 L256 F257 | F173-L253 HydrophobicContact CE2-CD2 4.22Å; N222-L253 HydrophobicContact CB-CB 4.36Å; T225-L253 WeakPolarHBondContact OG1-CD1 3.11Å; T226-L253 HydrophobicContact CG2-CD1 3.48Å; T226-L253 VanDerWaalsContact CG2-CD1 3.48Å; T226-L253 HydrophobicContact CG2-CG 4.31Å; L230-L253 HydrophobicContact CD1-CD1 4.15Å; L230-L253 HydrophobicContact CD1-CD2 4.49Å; L230-L253 HydrophobicContact CD1-CG 4.49Å; K249-L253 PolarHBondContact O-N 3.43Å; T250-L253 PolarHBondContact O-N 3.27Å; L253-S255 VanDerWaalsContact C-N 3.28Å; L253-S255 PolarHBondContact O-N 3.3Å; L253-L256 WeakPolarHBondContact O-CA 3.03Å; L253-L256 VanDerWaalsContact O-CB 3.31Å; L253-L256 WeakPolarHBondContact O-CB 3.18Å; L253-L256 PolarHBondContact O-N 3.29Å; L253-F257 PolarHBondContact O-N 3.14Å |
| 254 | T | 94.3 | Very high | 93.2 | Very high | 12 Ų | 12 | 58 Ų | 58 | 7% | 0.074 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.4 | -36.8 | 173.8 | 62.1 | 0 | 0 | 0 | 0 | 111.8 | N222 T250 L251 L256 F257 L258 | N222-T254 HydrophobicContact CB-CG2 3.72Å; T250-T254 WeakPolarHBondContact O-CG2 3.49Å; T250-T254 PolarHBondContact O-N 2.83Å; T250-T254 PolarHBondContact O-OG1 2.73Å; L251-T254 WeakPolarHBondContact CA-OG1 3.29Å; L251-T254 PolarHBondContact O-N 3.04Å; L251-T254 PolarHBondContact O-OG1 3.42Å; T254-L256 VanDerWaalsContact C-N 3.27Å; T254-L256 PolarHBondContact O-N 2.72Å; T254-F257 WeakPolarHBondContact O-CB 3.48Å; T254-F257 PolarHBondContact O-N 3.37Å; T254-L258 WeakPolarHBondContact O-CG 3.06Å; T254-L258 PolarHBondContact O-N 3.41Å; T254-L258 VanDerWaalsContact O-N 3.11Å |
| 255 | S | 92.9 | Very high | 92.9 | Very high | 47 Ų | 47 | 59.5 Ų | 59.5 | 33% | 0.329 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.4 | -31.3 | 174.2 | 77.7 | 0 | 0 | 0 | 0 | 112.3 | L251 L252 L253 L258 W259 | L251-S255 PolarHBondContact O-N 2.94Å; L252-S255 PolarHBondContact O-N 3.36Å; L252-S255 PolarHBondContact O-OG 3.19Å; L253-S255 VanDerWaalsContact C-N 3.28Å; L253-S255 PolarHBondContact O-N 3.3Å; S255-L258 PolarHBondContact O-N 3Å; S255-W259 WeakPolarHBondContact O-CB 3.12Å; S255-W259 PolarHBondContact O-N 3.1Å |
| 256 | L | 93.9 | Very high | 92.6 | Very high | 63 Ų | 63 | 57.4 Ų | 57.4 | 33% | 0.33 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.7 | -41.3 | 175 | -148.8 | 157.4 | 0 | 0 | 0 | 111.1 | F173 L252 L253 T254 L258 W259 I260 | F173-L256 HydrophobicContact CE1-CD2 3.81Å; F173-L256 HydrophobicContact CZ-CB 4.38Å; F173-L256 HydrophobicContact CZ-CD2 3.61Å; F173-L256 HydrophobicContact CZ-CG 4.48Å; L252-L256 PolarHBondContact O-N 3.33Å; L253-L256 WeakPolarHBondContact O-CA 3.03Å; L253-L256 VanDerWaalsContact O-CB 3.31Å; L253-L256 WeakPolarHBondContact O-CB 3.18Å; L253-L256 PolarHBondContact O-N 3.29Å; T254-L256 VanDerWaalsContact C-N 3.27Å; T254-L256 PolarHBondContact O-N 2.72Å; L256-L258 VanDerWaalsContact C-N 3.31Å; L256-L258 PolarHBondContact O-N 2.85Å; L256-W259 HydrophobicContact CD2-CE3 4.4Å; L256-W259 HydrophobicContact CG-CE3 4.34Å; L256-W259 PolarHBondContact O-N 3.39Å; L256-I260 HydrophobicContact CD2-CD1 3.49Å; L256-I260 VanDerWaalsContact CD2-CD1 3.49Å; L256-I260 HydrophobicContact CD2-CG1 4.01Å; L256-I260 WeakPolarHBondContact O-CG1 3.04Å; L256-I260 PolarHBondContact O-N 3.49Å |
| 257 | F | 92.3 | Very high | 92.1 | Very high | 8 Ų | 8 | 61.9 Ų | 61.9 | 4% | 0.035 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -53.9 | -48.3 | 169.6 | -95.3 | 47.3 | 0 | 0 | 0 | 111.5 | F173 L177 I218 N222 L253 T254 W259 I260 R261 | F173-F257 AromaticContact CD2-CE1 3.96Å; F173-F257 HydrophobicContact CD2-CE1 3.96Å; F173-F257 HydrophobicContact CE1-CD1 4.41Å; F173-F257 HydrophobicContact CE1-CE1 4.3Å; F173-F257 AromaticContact CE2-CD1 3.61Å; F173-F257 HydrophobicContact CE2-CD1 3.61Å; F173-F257 AromaticContact CE2-CE1 3.31Å; F173-F257 HydrophobicContact CE2-CE1 3.31Å; F173-F257 AromaticContact CZ-CD1 3.45Å; F173-F257 HydrophobicContact CZ-CD1 3.45Å; F173-F257 VanDerWaalsContact CZ-CD1 3.45Å; F173-F257 AromaticContact CZ-CE1 3.5Å; F173-F257 HydrophobicContact CZ-CE1 3.5Å; L177-F257 HydrophobicContact CD2-CB 4.47Å; L177-F257 HydrophobicContact CD2-CD1 3.88Å; L177-F257 HydrophobicContact CD2-CD2 3.69Å; L177-F257 HydrophobicContact CD2-CE1 3.92Å; L177-F257 HydrophobicContact CD2-CE2 3.77Å; L177-F257 HydrophobicContact CD2-CG 3.74Å; L177-F257 HydrophobicContact CD2-CZ 3.87Å; L177-F257 HydrophobicContact CG-CD1 4.28Å; L177-F257 HydrophobicContact CG-CE1 3.87Å; L177-F257 HydrophobicContact CG-CE2 4.19Å; L177-F257 HydrophobicContact CG-CZ 3.82Å; I218-F257 HydrophobicContact CG2-CD2 3.86Å; I218-F257 HydrophobicContact CG2-CE2 4.37Å; N222-F257 WeakPolarHBondContact OD1-CD1 3.37Å; N222-F257 VanDerWaalsContact OD1-CE1 3.22Å; N222-F257 WeakPolarHBondContact OD1-CE1 3.44Å; L253-F257 PolarHBondContact O-N 3.14Å; T254-F257 WeakPolarHBondContact O-CB 3.48Å; T254-F257 PolarHBondContact O-N 3.37Å; F257-W259 VanDerWaalsContact C-N 3.33Å; F257-W259 PolarHBondContact O-N 3.24Å; F257-I260 PolarHBondContact O-N 2.65Å; F257-R261 PolarHBondContact O-N 3.38Å |
| 258 | L | 91.8 | Very high | 91.6 | Very high | 12 Ų | 12 | 65.7 Ų | 65.7 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.8 | -35 | 179.8 | -63.9 | 175.6 | 0 | 0 | 0 | 112.4 | E11 I14 T254 S255 L256 | E11-L258 HydrophobicContact CB-CD1 4.17Å; E11-L258 HydrophobicContact CB-CD2 3.64Å; E11-L258 HydrophobicContact CG-CD2 3.62Å; I14-L258 HydrophobicContact CD1-CD1 3.64Å; I14-L258 HydrophobicContact CG2-CB 4.18Å; T254-L258 WeakPolarHBondContact O-CG 3.06Å; T254-L258 PolarHBondContact O-N 3.41Å; T254-L258 VanDerWaalsContact O-N 3.11Å; S255-L258 PolarHBondContact O-N 3Å; L256-L258 VanDerWaalsContact C-N 3.31Å; L256-L258 PolarHBondContact O-N 2.85Å |
| 259 | W | 92.8 | Very high | 90.8 | Very high | 134 Ų | 134 | 65.3 Ų | 65.3 | 51% | 0.508 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.3 | -46.5 | 175.5 | 178.6 | 41.8 | 0 | 0 | 0 | 112 | M18 S255 L256 F257 R261 T262 A263 | M18-W259 HydrophobicContact CE-CB 3.69Å; M18-W259 HydrophobicContact CE-CG 3.75Å; M18-W259 HydrophobicContact SD-CB 4.42Å; M18-W259 HydrophobicContact SD-CG 4.47Å; S255-W259 WeakPolarHBondContact O-CB 3.12Å; S255-W259 PolarHBondContact O-N 3.1Å; L256-W259 HydrophobicContact CD2-CE3 4.4Å; L256-W259 HydrophobicContact CG-CE3 4.34Å; L256-W259 PolarHBondContact O-N 3.39Å; F257-W259 VanDerWaalsContact C-N 3.33Å; F257-W259 PolarHBondContact O-N 3.24Å; W259-R261 PolarHBondContact O-N 2.96Å; W259-T262 PolarHBondContact O-N 3.27Å; W259-T262 PolarHBondContact O-OG1 3.39Å; W259-A263 PolarHBondContact O-N 3.23Å |
| 260 | I | 92.3 | Very high | 90 | Very high | 18 Ų | 18 | 68.3 Ų | 68.3 | 9% | 0.092 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.5 | -41.1 | 178.2 | -74.8 | 173 | 0 | 0 | 0 | 111.1 | F173 L177 L256 F257 T262 A263 Y264 | F173-I260 HydrophobicContact CE1-CD1 3.48Å; F173-I260 VanDerWaalsContact CE1-CD1 3.48Å; F173-I260 HydrophobicContact CZ-CD1 4.1Å; L177-I260 HydrophobicContact CD1-CD1 3.83Å; L177-I260 HydrophobicContact CD1-CG2 4.25Å; L256-I260 HydrophobicContact CD2-CD1 3.49Å; L256-I260 VanDerWaalsContact CD2-CD1 3.49Å; L256-I260 HydrophobicContact CD2-CG1 4.01Å; L256-I260 WeakPolarHBondContact O-CG1 3.04Å; L256-I260 PolarHBondContact O-N 3.49Å; F257-I260 PolarHBondContact O-N 2.65Å; I260-T262 PolarHBondContact O-N 3Å; I260-A263 PolarHBondContact O-N 3.29Å; I260-A263 VanDerWaalsContact O-N 3.12Å; I260-Y264 HydrophobicContact CB-CD2 4.35Å; I260-Y264 HydrophobicContact CG1-CE2 4.29Å; I260-Y264 HydrophobicContact CG2-CD2 3.82Å; I260-Y264 HydrophobicContact CG2-CE2 4.34Å; I260-Y264 WeakPolarHBondContact O-CD2 3.35Å; I260-Y264 PolarHBondContact O-N 3.03Å |
| 261 | R | 89.1 | Confident | 89.4 | Confident | 61 Ų | 61 | 73.8 Ų | 73.8 | 23% | 0.23 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -55.5 | -34.5 | 174 | 167.6 | 163.7 | -170.4 | 166.8 | 13.6 | 113.6 | E11 L15 T183 F257 W259 | E11-R261 WeakPolarHBondContact OE1-CD 3.47Å; E11-R261 IonicContact OE1-CZ 2.84Å; E11-R261 IonicContact OE1-NE 2.87Å; E11-R261 IonicContact OE1-NH1 2.89Å; E11-R261 PolarHBondContact OE1-NH1 2.94Å; L15-R261 HydrophobicContact CD2-CG 4.03Å; T183-R261 WeakPolarHBondContact OG1-CA 3.01Å; T183-R261 WeakPolarHBondContact OG1-CB 3.29Å; T183-R261 WeakPolarHBondContact OG1-CD 3.24Å; T183-R261 WeakPolarHBondContact OG1-CG 3.47Å; F257-R261 PolarHBondContact O-N 3.38Å; W259-R261 PolarHBondContact O-N 2.96Å |
| 262 | T | 88.2 | Confident | 88.8 | Confident | 45 Ų | 45 | 69.6 Ų | 69.6 | 28% | 0.276 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -81.6 | -27.2 | 178.1 | 62.6 | 0 | 0 | 0 | 0 | 114.2 | L15 M18 W259 I260 | L15-T262 HydrophobicContact CD2-CG2 3.26Å; L15-T262 HydrophobicContact CG-CG2 4.4Å; M18-T262 HydrophobicContact CB-CG2 3.94Å; M18-T262 HydrophobicContact CG-CG2 4.37Å; M18-T262 HydrophobicContact SD-CG2 3.52Å; M18-T262 VanDerWaalsContact SD-CG2 3.52Å; M18-T262 PolarHBondContact SD-OG1 2.98Å; W259-T262 PolarHBondContact O-N 3.27Å; W259-T262 PolarHBondContact O-OG1 3.39Å; I260-T262 PolarHBondContact O-N 3Å |
| 263 | A | 89.8 | Confident | 88.1 | Confident | 54 Ų | 54 | 69.5 Ų | 69.5 | 45% | 0.446 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -90.3 | -32.4 | -167.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W259 I260 | W259-A263 PolarHBondContact O-N 3.23Å; I260-A263 PolarHBondContact O-N 3.29Å; I260-A263 VanDerWaalsContact O-N 3.12Å |
| 264 | Y | 89.9 | Confident | 87.7 | Confident | 139 Ų | 139 | 71.8 Ų | 71.8 | 55% | 0.545 | 34% | 0.344 | S | S | . | . | trans | -110.9 | 143.3 | -169.2 | -65.4 | -74.2 | 0 | 0 | 0 | 113.7 | I260 | I260-Y264 HydrophobicContact CB-CD2 4.35Å; I260-Y264 HydrophobicContact CG1-CE2 4.29Å; I260-Y264 HydrophobicContact CG2-CD2 3.82Å; I260-Y264 HydrophobicContact CG2-CE2 4.34Å; I260-Y264 WeakPolarHBondContact O-CD2 3.35Å; I260-Y264 PolarHBondContact O-N 3.03Å | ||
| 265 | P | 87.5 | Confident | 87.3 | Confident | 103 Ų | 103 | 74.9 Ų | 74.9 | 67% | 0.669 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -71 | 162.3 | 168.1 | 32.4 | -34.6 | 0 | 0 | 0 | 110.9 | P184 | P184-P265 WeakPolarHBondContact CB-O 3.39Š|
| 266 | R | 86.9 | Confident | 87 | Confident | 87 Ų | 87 | 76.4 Ų | 76.4 | 33% | 0.328 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 141.6 | 172.9 | -70.2 | 179.7 | 173.2 | 152.9 | -4.9 | 110.8 | T183 P184 D186 | T183-R266 HydrophobicContact CG2-CG 4.11Å; P184-R266 WeakPolarHBondContact O-CA 3.45Å; D186-R266 IonicContact OD2-CZ 2.62Å; D186-R266 IonicContact OD2-NE 3.44Å; D186-R266 IonicContact OD2-NH2 2.95Å; D186-R266 PolarHBondContact OD2-NH2 3.49Å |
| 267 | F | 85.4 | Confident | 86.6 | Confident | 93 Ų | 93 | 77.2 Ų | 77.2 | 41% | 0.408 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 153.1 | 168.3 | -77.3 | -76.4 | 0 | 0 | 0 | 111 | P184 F185 L187 | P184-F267 HydrophobicContact CB-CD2 3.75Å; P184-F267 HydrophobicContact CB-CE2 3.91Å; P184-F267 HydrophobicContact CG-CD2 4.05Å; P184-F267 HydrophobicContact CG-CE2 3.91Å; P184-F267 PolarHBondContact O-N 3.44Å; F185-F267 AromaticContact CD1-CD2 3.84Å; F185-F267 HydrophobicContact CD1-CD2 3.84Å; F185-F267 AromaticContact CE1-CD2 3.5Å; F185-F267 HydrophobicContact CE1-CD2 3.5Å; F185-F267 AromaticContact CE1-CE2 3.82Å; F185-F267 HydrophobicContact CE1-CE2 3.82Å; F185-F267 HydrophobicContact CE1-CG 4.36Å; F185-F267 HydrophobicContact CZ-CD2 4.29Å; F185-F267 HydrophobicContact CZ-CE2 4.2Å; L187-F267 VanDerWaalsContact CD2-O 3.26Å; L187-F267 WeakPolarHBondContact CD2-O 3.23Å |
| 268 | R | 82.6 | Confident | 86.3 | Confident | 140 Ų | 140 | 81.6 Ų | 81.6 | 53% | 0.528 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 147.3 | 167.6 | -164.6 | 173.7 | 77.9 | -150 | 0.1 | 109.4 | D270 Q271 L272 | R268-D270 VanDerWaalsContact C-N 3.29Å; R268-D270 IonicContact CZ-OD2 3.31Å; R268-D270 VanDerWaalsContact CZ-OD2 3.31Å; R268-D270 IonicContact NE-OD2 2.83Å; R268-D270 PolarHBondContact NE-OD2 3.41Å; R268-D270 IonicContact NH2-OD2 3.04Å; R268-D270 PolarHBondContact NH2-OD2 3.05Å; R268-D270 PolarHBondContact O-N 2.96Å; R268-Q271 HydrophobicContact CB-CG 4.39Å; R268-Q271 PolarHBondContact O-N 3.42Å; R268-L272 PolarHBondContact O-N 3.01Å |
| 269 | Y | 78.3 | Confident | 85.9 | Confident | 66 Ų | 66 | 86.2 Ų | 86.2 | 26% | 0.259 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -50.8 | -44.8 | -180 | 179.7 | -90.5 | 0 | 0 | 0 | 113.2 | R121 A124 L187 Q271 L272 M273 | R121-Y269 HydrophobicContact CB-CD2 4.19Å; R121-Y269 HydrophobicContact CB-CE2 3.96Å; R121-Y269 HydrophobicContact CG-CD2 4.04Å; R121-Y269 HydrophobicContact CG-CE2 3.9Å; A124-Y269 WeakPolarHBondContact CB-OH 3.34Å; L187-Y269 HydrophobicContact CD1-CD2 3.75Å; L187-Y269 HydrophobicContact CD1-CG 4.32Å; Y269-Q271 PolarHBondContact O-N 2.93Å; Y269-L272 PolarHBondContact O-N 3.29Å; Y269-L272 VanDerWaalsContact O-N 3.14Å; Y269-M273 HydrophobicContact CD1-CG 4.47Å; Y269-M273 HydrophobicContact CD2-CE 4.24Å; Y269-M273 HydrophobicContact CE1-CG 4Å; Y269-M273 HydrophobicContact CE2-CE 3.39Å; Y269-M273 HydrophobicContact CE2-CG 4.35Å; Y269-M273 PolarHBondContact O-N 3.3Å; Y269-M273 WeakPolarHBondContact OH-CE 3.32Å |
| 270 | D | 79.6 | Confident | 85.4 | Confident | 99 Ų | 99 | 82.8 Ų | 82.8 | 53% | 0.529 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.5 | -19.1 | -179.4 | -32.9 | -38.6 | 0 | 0 | 0 | 114.4 | R268 | R268-D270 VanDerWaalsContact C-N 3.29Å; R268-D270 IonicContact CZ-OD2 3.31Å; R268-D270 VanDerWaalsContact CZ-OD2 3.31Å; R268-D270 IonicContact NE-OD2 2.83Å; R268-D270 PolarHBondContact NE-OD2 3.41Å; R268-D270 IonicContact NH2-OD2 3.04Å; R268-D270 PolarHBondContact NH2-OD2 3.05Å; R268-D270 PolarHBondContact O-N 2.96Å |
| 271 | Q | 83.9 | Confident | 84.9 | Confident | 124 Ų | 124 | 87.8 Ų | 87.8 | 58% | 0.579 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -88.4 | -18 | 177.2 | -66.4 | 176.7 | -24.4 | 0 | 0 | 111.9 | R268 Y269 | R268-Q271 HydrophobicContact CB-CG 4.39Å; R268-Q271 PolarHBondContact O-N 3.42Å; Y269-Q271 PolarHBondContact O-N 2.93Å |
| 272 | L | 81.4 | Confident | 84.5 | Confident | 15 Ų | 15 | 90 Ų | 90 | 8% | 0.079 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -86.8 | -38.1 | -177.9 | 175.2 | 153.1 | 0 | 0 | 0 | 111.4 | Q125 Y129 F185 L187 R268 Y269 | Q125-L272 HydrophobicContact CB-CD2 4.49Å; Q125-L272 HydrophobicContact CG-CD2 4.24Å; Y129-L272 HydrophobicContact CE2-CD1 4.21Å; Y129-L272 HydrophobicContact CE2-CD2 3.58Å; Y129-L272 HydrophobicContact CE2-CG 3.9Å; Y129-L272 WeakPolarHBondContact OH-CG 3.38Å; Y129-L272 PolarHBondContact OH-O 3.04Å; F185-L272 HydrophobicContact CB-CD1 3.81Å; F185-L272 HydrophobicContact CD1-CD1 3.46Å; F185-L272 VanDerWaalsContact CD1-CD1 3.46Å; F185-L272 HydrophobicContact CD1-CG 4.22Å; F185-L272 HydrophobicContact CE1-CD1 4.43Å; F185-L272 HydrophobicContact CG-CD1 4.03Å; L187-L272 HydrophobicContact CD1-CB 4.16Å; L187-L272 HydrophobicContact CD1-CD1 3.45Å; L187-L272 VanDerWaalsContact CD1-CD1 3.45Å; L187-L272 HydrophobicContact CD1-CD2 4.19Å; L187-L272 HydrophobicContact CD1-CG 4.12Å; L187-L272 HydrophobicContact CG-CD1 4.19Å; R268-L272 PolarHBondContact O-N 3.01Å; Y269-L272 PolarHBondContact O-N 3.29Å; Y269-L272 VanDerWaalsContact O-N 3.14Å |
| 273 | M | 80.8 | Confident | 84.2 | Confident | 115 Ų | 115 | 94.1 Ų | 94.1 | 57% | 0.567 | 45% | 0.449 | S | S | * | . | trans | -75.2 | 0 | 175.4 | -65 | -61.8 | 169.6 | 0 | 0 | 112 | A124 Q125 Y269 | A124-M273 HydrophobicContact CB-CE 3.8Å; Q125-M273 HydrophobicContact CB-CE 4.1Å; Y269-M273 HydrophobicContact CD1-CG 4.47Å; Y269-M273 HydrophobicContact CD2-CE 4.24Å; Y269-M273 HydrophobicContact CE1-CG 4Å; Y269-M273 HydrophobicContact CE2-CE 3.39Å; Y269-M273 HydrophobicContact CE2-CG 4.35Å; Y269-M273 PolarHBondContact O-N 3.3Å; Y269-M273 WeakPolarHBondContact OH-CE 3.32Å |
Retrieved 273 of 273 residues in 304 ms
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